| 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 | 43.4 | Very low | 66.5 | Low | 149 Ų | 149 | 59.3 Ų | 59.3 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | 0 | 141.4 | 0 | -77.4 | 179.9 | -173.8 | 0 | 0 | 107.8 | S3 E802 | M1-S3 PolarHBondContact O-N 2.7Å; M1-E802 WeakPolarHBondContact CA-OE1 3.46Å; M1-E802 PolarHBondContact N-OE1 2.98Å | |||
| 2 | I | 51 | Low | 68.2 | Low | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | trans | -48.2 | 122.3 | 158.4 | -58.5 | 175.7 | 0 | 0 | 0 | 103.3 | L4 A7 E802 Y805 W806 | I2-L4 PolarHBondContact O-N 3.19Å; I2-A7 HydrophobicContact CG2-CB 3.97Å; I2-E802 HydrophobicContact CG1-CB 4.1Å; I2-E802 HydrophobicContact CG1-CG 4Å; I2-E802 VanDerWaalsContact N-CD 3.26Å; I2-E802 VanDerWaalsContact N-CG 3.28Å; I2-E802 PolarHBondContact N-OE1 2.86Å; I2-Y805 HydrophobicContact CD1-CD2 3.78Å; I2-Y805 HydrophobicContact CD1-CG 4.13Å; I2-Y805 HydrophobicContact CG1-CD2 4.18Å; I2-W806 HydrophobicContact CG2-CH2 4.23Å; I2-W806 HydrophobicContact CG2-CZ2 3.54Å | ||
| 3 | S | 57.4 | Low | 69.8 | Low | 39 Ų | 39 | 55.5 Ų | 55.5 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | trans | -50.8 | 130.2 | -177.8 | 67.8 | 0 | 0 | 0 | 0 | 106.5 | M1 T5 G6 A7 | M1-S3 PolarHBondContact O-N 2.7Å; S3-T5 VanDerWaalsContact CB-OG1 3.3Å; S3-T5 WeakPolarHBondContact CB-OG1 3.45Å; S3-T5 CarbonylContact O-C 3.43Å; S3-T5 PolarHBondContact O-N 3.36Å; S3-T5 PolarHBondContact OG-OG1 3.06Å; S3-G6 WeakPolarHBondContact O-CA 3.46Å; S3-G6 PolarHBondContact O-N 3.35Å; S3-G6 PolarHBondContact OG-N 3.02Å; S3-A7 PolarHBondContact O-N 3.36Å | ||
| 4 | L | 62.4 | Low | 71.3 | Confident | 126 Ų | 126 | 51.8 Ų | 51.8 | 66% | 0.66 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -49.9 | -32.5 | -175.5 | -145.6 | 95.6 | 0 | 0 | 0 | 110.4 | I2 F8 | I2-L4 PolarHBondContact O-N 3.19Å; L4-F8 WeakPolarHBondContact O-CB 3.47Å; L4-F8 PolarHBondContact O-N 3.03Å |
| 5 | T | 64.8 | Low | 72.6 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.7 | -45.7 | 170.6 | 52 | 0 | 0 | 0 | 0 | 114.8 | S3 L9 | S3-T5 VanDerWaalsContact CB-OG1 3.3Å; S3-T5 WeakPolarHBondContact CB-OG1 3.45Å; S3-T5 CarbonylContact O-C 3.43Å; S3-T5 PolarHBondContact O-N 3.36Å; S3-T5 PolarHBondContact OG-OG1 3.06Å; T5-L9 WeakPolarHBondContact O-CB 3.25Å; T5-L9 PolarHBondContact O-N 3.06Å |
| 6 | G | 67 | Low | 73.8 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S3 G10 | S3-G6 WeakPolarHBondContact O-CA 3.46Å; S3-G6 PolarHBondContact O-N 3.35Å; S3-G6 PolarHBondContact OG-N 3.02Å; G6-G10 PolarHBondContact O-N 3.31Å |
| 7 | A | 69.2 | Low | 74.9 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2 S3 L9 G10 L11 I850 | I2-A7 HydrophobicContact CG2-CB 3.97Å; S3-A7 PolarHBondContact O-N 3.36Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-G10 PolarHBondContact O-N 3.38Å; A7-L11 PolarHBondContact O-N 3.35Å; A7-I850 HydrophobicContact CB-CG2 4.36Å |
| 8 | F | 75.7 | Confident | 75.9 | Confident | 130 Ų | 130 | 49.5 Ų | 49.5 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 175.9 | -179.3 | -106.9 | 0 | 0 | 0 | 112.2 | L4 L11 I12 | L4-F8 WeakPolarHBondContact O-CB 3.47Å; L4-F8 PolarHBondContact O-N 3.03Å; F8-L11 WeakPolarHBondContact O-CB 3.4Å; F8-L11 PolarHBondContact O-N 2.93Å; F8-I12 HydrophobicContact CD1-CD1 3.83Å; F8-I12 HydrophobicContact CE1-CD1 3.32Å; F8-I12 HydrophobicContact CE1-CG1 4.33Å; F8-I12 HydrophobicContact CE2-CD1 4.44Å; F8-I12 HydrophobicContact CZ-CD1 3.68Å; F8-I12 HydrophobicContact CZ-CG1 4.36Å; F8-I12 WeakPolarHBondContact O-CG1 3.48Å; F8-I12 PolarHBondContact O-N 3.46Å |
| 9 | L | 76.1 | Confident | 76.7 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 173.3 | 178.5 | 68.3 | 0 | 0 | 0 | 111.6 | T5 A7 L11 I12 V13 W426 L440 L442 | T5-L9 WeakPolarHBondContact O-CB 3.25Å; T5-L9 PolarHBondContact O-N 3.06Å; A7-L9 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.97Å; L9-I12 PolarHBondContact O-N 2.9Å; L9-V13 HydrophobicContact CD1-CG2 4.22Å; L9-V13 HydrophobicContact CG-CG2 4.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 2.9Å; L9-W426 HydrophobicContact CD2-CH2 4.03Å; L9-W426 HydrophobicContact CD2-CZ3 3.67Å; L9-W426 HydrophobicContact CG-CH2 4.28Å; L9-W426 HydrophobicContact CG-CZ3 4.14Å; L9-L440 HydrophobicContact CD2-CD2 3.32Å; L9-L440 HydrophobicContact CD2-CG 4.43Å; L9-L442 HydrophobicContact CB-CD1 4.23Å; L9-L442 HydrophobicContact CD1-CD1 3.38Å; L9-L442 HydrophobicContact CD2-CD1 3.27Å; L9-L442 HydrophobicContact CD2-CD2 3.73Å; L9-L442 HydrophobicContact CD2-CG 3.85Å; L9-L442 HydrophobicContact CG-CD1 3.74Å |
| 10 | G | 80.6 | Confident | 77.5 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -51.6 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G6 A7 I12 V13 H14 W426 | G6-G10 PolarHBondContact O-N 3.31Å; A7-G10 PolarHBondContact O-N 3.38Å; G10-I12 PolarHBondContact O-N 3.23Å; G10-V13 PolarHBondContact O-N 2.89Å; G10-H14 PolarHBondContact O-N 3.46Å; G10-H14 PolarHBondContact O-ND1 3.37Å; G10-W426 VanDerWaalsContact CA-CZ2 3.49Å |
| 11 | L | 84.4 | Confident | 78.2 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 174.7 | 179.9 | 64 | 0 | 0 | 0 | 112.8 | A7 F8 L9 V13 H14 L15 V847 | A7-L11 PolarHBondContact O-N 3.35Å; F8-L11 WeakPolarHBondContact O-CB 3.4Å; F8-L11 PolarHBondContact O-N 2.93Å; L9-L11 PolarHBondContact O-N 2.97Å; L11-V13 PolarHBondContact O-N 3.47Å; L11-H14 PolarHBondContact O-N 2.95Å; L11-L15 HydrophobicContact CD1-CD1 4.17Å; L11-L15 HydrophobicContact CD1-CG 4.19Å; L11-L15 HydrophobicContact CG-CD1 4.02Å; L11-L15 HydrophobicContact CG-CG 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.42Å; L11-V847 HydrophobicContact CD1-CB 4.31Å; L11-V847 HydrophobicContact CD1-CG1 3.56Å; L11-V847 HydrophobicContact CD1-CG2 3.72Å |
| 12 | I | 86.8 | Confident | 80.4 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 33% | 0.328 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.2 | -70.3 | 171 | 0 | 0 | 0 | 111.2 | F8 L9 G10 H14 L15 I16 | F8-I12 HydrophobicContact CD1-CD1 3.83Å; F8-I12 HydrophobicContact CE1-CD1 3.32Å; F8-I12 HydrophobicContact CE1-CG1 4.33Å; F8-I12 HydrophobicContact CE2-CD1 4.44Å; F8-I12 HydrophobicContact CZ-CD1 3.68Å; F8-I12 HydrophobicContact CZ-CG1 4.36Å; F8-I12 WeakPolarHBondContact O-CG1 3.48Å; F8-I12 PolarHBondContact O-N 3.46Å; L9-I12 PolarHBondContact O-N 2.9Å; G10-I12 PolarHBondContact O-N 3.23Å; I12-H14 VanDerWaalsContact C-N 3.34Å; I12-H14 PolarHBondContact O-N 3.16Å; I12-L15 PolarHBondContact O-N 3.01Å; I12-I16 HydrophobicContact CG2-CD1 3.75Å; I12-I16 HydrophobicContact CG2-CG1 4.41Å; I12-I16 VanDerWaalsContact O-CG1 3.3Å; I12-I16 WeakPolarHBondContact O-CG1 3.49Å; I12-I16 PolarHBondContact O-N 3.24Å |
| 13 | V | 89 | Confident | 82.2 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 179.2 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | L9 G10 L11 L15 I16 L17 W426 L481 | L9-V13 HydrophobicContact CD1-CG2 4.22Å; L9-V13 HydrophobicContact CG-CG2 4.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 2.9Å; G10-V13 PolarHBondContact O-N 2.89Å; L11-V13 PolarHBondContact O-N 3.47Å; V13-L15 PolarHBondContact O-N 2.95Å; V13-I16 PolarHBondContact O-N 3.25Å; V13-L17 HydrophobicContact CG1-CD1 3.71Å; V13-L17 HydrophobicContact CG1-CG 4.32Å; V13-L17 VanDerWaalsContact O-CG 3.27Å; V13-L17 WeakPolarHBondContact O-CG 3.23Å; V13-L17 PolarHBondContact O-N 3.12Å; V13-W426 HydrophobicContact CG1-CD2 4.13Å; V13-W426 HydrophobicContact CG1-CE3 4.35Å; V13-W426 HydrophobicContact CG1-CG 4.18Å; V13-W426 HydrophobicContact CG2-CE3 4.12Å; V13-W426 HydrophobicContact CG2-CZ3 4.15Å; V13-L481 HydrophobicContact CG1-CD1 4.44Å; V13-L481 HydrophobicContact CG2-CD2 4.28Å |
| 14 | H | 91 | Very high | 83.8 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | -179.6 | -70.7 | 69.9 | 0 | 0 | 0 | 112.2 | G10 L11 I12 L17 L18 W426 D813 V843 | G10-H14 PolarHBondContact O-N 3.46Å; G10-H14 PolarHBondContact O-ND1 3.37Å; L11-H14 PolarHBondContact O-N 2.95Å; I12-H14 VanDerWaalsContact C-N 3.34Å; I12-H14 PolarHBondContact O-N 3.16Å; H14-L17 PolarHBondContact O-N 2.92Å; H14-L18 WeakPolarHBondContact O-CB 3.49Å; H14-L18 PolarHBondContact O-N 3.44Å; H14-W426 AromaticContact CE1-NE1 3.49Å; H14-W426 PolarHBondContact CE1-NE1 3.38Å; H14-D813 IonicContact CD2-OD1 3.61Å; H14-D813 IonicContact CE1-OD1 2.58Å; H14-D813 IonicContact NE2-OD1 3.9Å; H14-D813 PolarHBondContact NE2-OD1 2.99Å; H14-D813 IonicContact NE2-OD2 2.93Å; H14-V843 HydrophobicContact CB-CG1 3.85Å |
| 15 | L | 90.8 | Very high | 85.2 | Confident | 97 Ų | 97 | 38.6 Ų | 38.6 | 51% | 0.508 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 174.6 | -72.8 | 173.9 | 0 | 0 | 0 | 111.9 | L11 I12 V13 Y19 | L11-L15 HydrophobicContact CD1-CD1 4.17Å; L11-L15 HydrophobicContact CD1-CG 4.19Å; L11-L15 HydrophobicContact CG-CD1 4.02Å; L11-L15 HydrophobicContact CG-CG 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.42Å; I12-L15 PolarHBondContact O-N 3.01Å; V13-L15 PolarHBondContact O-N 2.95Å; L15-Y19 WeakPolarHBondContact O-CB 3.44Å; L15-Y19 PolarHBondContact O-N 2.89Å |
| 16 | I | 92 | Very high | 86.1 | Confident | 32 Ų | 32 | 34.5 Ų | 34.5 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 176 | -67.3 | 171.1 | 0 | 0 | 0 | 110.4 | I12 V13 L18 Y19 A20 L473 Y474 M477 | I12-I16 HydrophobicContact CG2-CD1 3.75Å; I12-I16 HydrophobicContact CG2-CG1 4.41Å; I12-I16 VanDerWaalsContact O-CG1 3.3Å; I12-I16 WeakPolarHBondContact O-CG1 3.49Å; I12-I16 PolarHBondContact O-N 3.24Å; V13-I16 PolarHBondContact O-N 3.25Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 3.25Å; I16-Y19 PolarHBondContact O-N 3.12Å; I16-A20 VanDerWaalsContact O-CB 3.24Å; I16-A20 WeakPolarHBondContact O-CB 3.39Å; I16-A20 PolarHBondContact O-N 2.99Å; I16-L473 HydrophobicContact CD1-CD2 4.3Å; I16-L473 HydrophobicContact CG1-CD2 4.36Å; I16-L473 HydrophobicContact CG2-CD2 3.94Å; I16-L473 HydrophobicContact CG2-CG 4.25Å; I16-Y474 HydrophobicContact CG2-CD1 4.4Å; I16-Y474 HydrophobicContact CG2-CE1 4.39Å; I16-M477 HydrophobicContact CD1-CE 3.63Å; I16-M477 HydrophobicContact CG2-CG 4.48Å |
| 17 | L | 92.5 | Very high | 87.1 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -35.3 | 179.4 | -64.6 | 171.4 | 0 | 0 | 0 | 112.1 | V13 H14 A21 I419 F423 Y839 | V13-L17 HydrophobicContact CG1-CD1 3.71Å; V13-L17 HydrophobicContact CG1-CG 4.32Å; V13-L17 VanDerWaalsContact O-CG 3.27Å; V13-L17 WeakPolarHBondContact O-CG 3.23Å; V13-L17 PolarHBondContact O-N 3.12Å; H14-L17 PolarHBondContact O-N 2.92Å; L17-A21 PolarHBondContact O-N 3.22Å; L17-I419 HydrophobicContact CD2-CG2 3.88Å; L17-F423 HydrophobicContact CB-CE2 4.12Å; L17-F423 HydrophobicContact CB-CZ 3.89Å; L17-F423 HydrophobicContact CD1-CD1 3.75Å; L17-F423 HydrophobicContact CD1-CD2 4.16Å; L17-F423 HydrophobicContact CD1-CE1 3.59Å; L17-F423 HydrophobicContact CD1-CE2 4Å; L17-F423 HydrophobicContact CD1-CG 4.04Å; L17-F423 HydrophobicContact CD1-CZ 3.72Å; L17-F423 HydrophobicContact CD2-CD2 4.45Å; L17-F423 HydrophobicContact CD2-CE2 4.35Å; L17-F423 HydrophobicContact CG-CE2 4.38Å; L17-F423 HydrophobicContact CG-CZ 4.32Å; L17-Y839 PolarHBondContact O-OH 3.36Å |
| 18 | L | 91.8 | Very high | 87.9 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -54.9 | 173 | -174.7 | 62.5 | 0 | 0 | 0 | 110.3 | H14 I16 A20 A21 F22 Y839 V840 V843 | H14-L18 WeakPolarHBondContact O-CB 3.49Å; H14-L18 PolarHBondContact O-N 3.44Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 3.25Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.28Å; L18-A21 PolarHBondContact O-N 2.9Å; L18-F22 HydrophobicContact CD1-CE2 3.9Å; L18-F22 HydrophobicContact CG-CE2 4.13Å; L18-F22 VanDerWaalsContact O-CD2 3.22Å; L18-F22 WeakPolarHBondContact O-CD2 3.43Å; L18-Y839 HydrophobicContact CD1-CD1 4.04Å; L18-Y839 HydrophobicContact CD1-CE1 3.85Å; L18-V840 HydrophobicContact CD1-CG2 3.98Å; L18-V843 HydrophobicContact CB-CG1 4.28Å; L18-V843 HydrophobicContact CD1-CB 4.45Å; L18-V843 HydrophobicContact CD1-CG1 4.48Å |
| 19 | Y | 91.9 | Very high | 88.5 | Confident | 129 Ų | 129 | 33.5 Ų | 33.5 | 51% | 0.506 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 179.9 | -179.4 | -102.9 | 0 | 0 | 0 | 112.3 | L15 I16 A21 F22 D23 T470 Y474 | L15-Y19 WeakPolarHBondContact O-CB 3.44Å; L15-Y19 PolarHBondContact O-N 2.89Å; I16-Y19 PolarHBondContact O-N 3.12Å; Y19-A21 VanDerWaalsContact C-N 3.33Å; Y19-A21 PolarHBondContact O-N 3.44Å; Y19-F22 PolarHBondContact O-N 2.78Å; Y19-F22 VanDerWaalsContact O-N 3.14Å; Y19-D23 HydrophobicContact CE1-CB 4.27Å; Y19-D23 PolarHBondContact O-N 3.31Å; Y19-T470 HydrophobicContact CE1-CG2 4.18Å; Y19-Y474 WeakPolarHBondContact CD1-OH 3.34Å; Y19-Y474 WeakPolarHBondContact CE1-OH 3.47Å |
| 20 | A | 93 | Very high | 89.1 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -41.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I16 L18 F22 D23 V24 I419 Y474 | I16-A20 VanDerWaalsContact O-CB 3.24Å; I16-A20 WeakPolarHBondContact O-CB 3.39Å; I16-A20 PolarHBondContact O-N 2.99Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.28Å; A20-F22 VanDerWaalsContact C-N 3.34Å; A20-F22 PolarHBondContact O-N 2.71Å; A20-D23 PolarHBondContact O-N 2.93Å; A20-V24 WeakPolarHBondContact O-CB 3.3Å; A20-V24 WeakPolarHBondContact O-CG2 3.28Å; A20-V24 PolarHBondContact O-N 2.93Å; A20-I419 HydrophobicContact CB-CD1 3.63Å; A20-I419 HydrophobicContact CB-CG1 3.87Å; A20-Y474 HydrophobicContact CB-CD1 3.65Å; A20-Y474 HydrophobicContact CB-CD2 4.36Å; A20-Y474 HydrophobicContact CB-CE1 3.42Å; A20-Y474 VanDerWaalsContact CB-CE1 3.42Å; A20-Y474 HydrophobicContact CB-CE2 4.17Å; A20-Y474 HydrophobicContact CB-CG 4.14Å |
| 21 | A | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L17 L18 Y19 Y25 L820 Y839 | L17-A21 PolarHBondContact O-N 3.22Å; L18-A21 PolarHBondContact O-N 2.9Å; Y19-A21 VanDerWaalsContact C-N 3.33Å; Y19-A21 PolarHBondContact O-N 3.44Å; A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 WeakPolarHBondContact O-CD2 3.47Å; A21-Y25 PolarHBondContact O-N 2.96Å; A21-L820 HydrophobicContact CB-CD1 3.71Å; A21-Y839 HydrophobicContact CB-CD1 4.08Å; A21-Y839 HydrophobicContact CB-CE1 3.35Å |
| 22 | F | 89.5 | Confident | 89.5 | Confident | 44 Ų | 44 | 35.2 Ų | 35.2 | 19% | 0.193 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.9 | -34 | 178.5 | -72.6 | -78.5 | 0 | 0 | 0 | 113.9 | L18 Y19 A20 Y26 K125 I836 V840 | L18-F22 HydrophobicContact CD1-CE2 3.9Å; L18-F22 HydrophobicContact CG-CE2 4.13Å; L18-F22 VanDerWaalsContact O-CD2 3.22Å; L18-F22 WeakPolarHBondContact O-CD2 3.43Å; Y19-F22 PolarHBondContact O-N 2.78Å; Y19-F22 VanDerWaalsContact O-N 3.14Å; A20-F22 VanDerWaalsContact C-N 3.34Å; A20-F22 PolarHBondContact O-N 2.71Å; F22-Y26 AromaticContact CD1-CD2 3.78Å; F22-Y26 HydrophobicContact CD1-CD2 3.78Å; F22-Y26 AromaticContact CD1-CE2 3.92Å; F22-Y26 HydrophobicContact CD1-CE2 3.92Å; F22-Y26 HydrophobicContact CE1-CE2 4.3Å; F22-Y26 WeakPolarHBondContact O-CB 3.44Å; F22-Y26 PolarHBondContact O-N 2.93Å; F22-K125 PolarHBondContact O-NZ 3.42Å; F22-I836 HydrophobicContact CE1-CD1 4.31Å; F22-I836 HydrophobicContact CE1-CG1 4.19Å; F22-I836 HydrophobicContact CE1-CG2 3.6Å; F22-I836 HydrophobicContact CZ-CG2 3.54Å; F22-V840 HydrophobicContact CE2-CG2 4.07Å; F22-V840 HydrophobicContact CZ-CG2 3.75Å |
| 23 | D | 90.6 | Very high | 89.3 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.3 | -42.7 | 177.4 | -163.6 | 32.1 | 0 | 0 | 0 | 110.8 | Y19 A20 T470 Y474 | Y19-D23 HydrophobicContact CE1-CB 4.27Å; Y19-D23 PolarHBondContact O-N 3.31Å; A20-D23 PolarHBondContact O-N 2.93Å; D23-T470 PolarHBondContact OD2-OG1 3.44Å; D23-Y474 HydrophobicContact CB-CE2 4.25Å; D23-Y474 WeakPolarHBondContact CB-OH 3.44Å; D23-Y474 PolarHBondContact OD2-OH 3.37Å |
| 24 | V | 90.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.1 | -41.6 | -177.4 | 172.1 | 0 | 0 | 0 | 0 | 112.8 | A20 R412 L415 I419 | A20-V24 WeakPolarHBondContact O-CB 3.3Å; A20-V24 WeakPolarHBondContact O-CG2 3.28Å; A20-V24 PolarHBondContact O-N 2.93Å; V24-R412 HydrophobicContact CG1-CB 4.34Å; V24-R412 HydrophobicContact CG1-CG 3.79Å; V24-R412 PolarHBondContact O-NE 2.99Å; V24-L415 HydrophobicContact CG1-CB 4.34Å; V24-L415 HydrophobicContact CG2-CB 3.61Å; V24-L415 HydrophobicContact CG2-CD1 3.81Å; V24-L415 HydrophobicContact CG2-CG 4.36Å; V24-I419 HydrophobicContact CG2-CD1 4.12Å |
| 25 | Y | 90 | Very high | 89.3 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -92.3 | -30.2 | -173.8 | -78.6 | -100.9 | 0 | 0 | 0 | 114.2 | A21 R412 L820 F823 D825 | A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 WeakPolarHBondContact O-CD2 3.47Å; A21-Y25 PolarHBondContact O-N 2.96Å; Y25-R412 PolarHBondContact O-NH2 2.97Å; Y25-L820 HydrophobicContact CE2-CD1 4.29Å; Y25-F823 AromaticContact CD1-CD1 3.86Å; Y25-F823 HydrophobicContact CD1-CD1 3.86Å; Y25-F823 HydrophobicContact CD2-CD1 4.11Å; Y25-F823 HydrophobicContact CE1-CB 4.38Å; Y25-F823 HydrophobicContact CE1-CD1 4.5Å; Y25-F823 AromaticContact CG-CD1 3.65Å; Y25-F823 HydrophobicContact CG-CD1 3.65Å; Y25-F823 HydrophobicContact CG-CE1 4.16Å; Y25-D825 HydrophobicContact CD1-CB 4.47Å |
| 26 | Y | 85.6 | Confident | 89.2 | Confident | 8 Ų | 8 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -115.4 | 48.2 | -178.2 | -56.1 | -68.8 | 0 | 0 | 0 | 112.2 | F22 V121 N122 K125 F823 K824 D825 I832 I836 | F22-Y26 AromaticContact CD1-CD2 3.78Å; F22-Y26 HydrophobicContact CD1-CD2 3.78Å; F22-Y26 AromaticContact CD1-CE2 3.92Å; F22-Y26 HydrophobicContact CD1-CE2 3.92Å; F22-Y26 HydrophobicContact CE1-CE2 4.3Å; F22-Y26 WeakPolarHBondContact O-CB 3.44Å; F22-Y26 PolarHBondContact O-N 2.93Å; Y26-V121 HydrophobicContact CD1-CB 3.89Å; Y26-V121 HydrophobicContact CD1-CG1 3.37Å; Y26-V121 HydrophobicContact CE1-CB 4.46Å; Y26-V121 HydrophobicContact CE1-CG1 3.73Å; Y26-V121 HydrophobicContact CG-CG1 4.07Å; Y26-N122 WeakPolarHBondContact O-CB 3Å; Y26-N122 PolarHBondContact O-OD1 3.23Å; Y26-K125 PolarHBondContact O-NZ 2.76Å; Y26-F823 HydrophobicContact CD2-CE1 4.17Å; Y26-F823 HydrophobicContact CE2-CD1 4.45Å; Y26-F823 AromaticContact CE2-CE1 3.3Å; Y26-F823 HydrophobicContact CE2-CE1 3.3Å; Y26-F823 AromaticContact CE2-CZ 3.69Å; Y26-F823 HydrophobicContact CE2-CZ 3.69Å; Y26-F823 AromaticContact CZ-CE1 3.74Å; Y26-K824 PolarHBondContact OH-O 3.01Å; Y26-D825 HydrophobicContact CE1-CB 4.19Å; Y26-I832 HydrophobicContact CE1-CG2 3.83Å; Y26-I832 VanDerWaalsContact OH-CG2 3.27Å; Y26-I832 WeakPolarHBondContact OH-CG2 3.28Å; Y26-I836 HydrophobicContact CE2-CD1 3.78Å; Y26-I836 HydrophobicContact CE2-CG1 3.85Å; Y26-I836 VanDerWaalsContact OH-CD1 3.28Å; Y26-I836 WeakPolarHBondContact OH-CD1 2.78Å; Y26-I836 WeakPolarHBondContact OH-CG1 3.28Å |
| 27 | S | 86.3 | Confident | 89.1 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | trans | -78.2 | 146.9 | 166.5 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | H408 | S27-H408 PolarHBondContact O-CE1 3.08Å; S27-H408 PolarHBondContact OG-CE1 2.78Å | ||
| 28 | S | 87.4 | Confident | 88.8 | Confident | 35 Ų | 35 | 48 Ų | 48 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | trans | -65 | 132 | -177.6 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | L30 D120 H408 | S28-L30 PolarHBondContact O-N 3.12Å; S28-L30 PolarHBondContact OG-N 2.81Å; S28-D120 WeakPolarHBondContact CB-OD2 3.47Å; S28-D120 PolarHBondContact OG-OD2 3.29Å; S28-H408 PolarHBondContact O-CE1 3.17Å; S28-H408 VanDerWaalsContact O-CE1 3.31Å | ||
| 29 | P | 87.2 | Confident | 88.6 | Confident | 50 Ų | 50 | 47.6 Ų | 47.6 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | trans | -82.8 | 8.1 | 170.7 | 36.1 | -35 | 0 | 0 | 0 | 112.2 | D120 R346 | P29-D120 VanDerWaalsContact CD-OD1 3.3Å; P29-D120 WeakPolarHBondContact CD-OD1 3.28Å; P29-R346 PolarHBondContact O-NH2 3.05Å | ||
| 30 | L | 88.6 | Confident | 88.3 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | trans | -87.6 | 137.4 | 178.7 | -63.5 | 168.7 | 0 | 0 | 0 | 111.6 | S28 F117 D120 V133 F135 N311 | S28-L30 PolarHBondContact O-N 3.12Å; S28-L30 PolarHBondContact OG-N 2.81Å; L30-F117 HydrophobicContact CD1-CE2 4.28Å; L30-F117 HydrophobicContact CD1-CZ 4.28Å; L30-F117 HydrophobicContact CD2-CD1 4.32Å; L30-F117 HydrophobicContact CD2-CD2 3.88Å; L30-F117 HydrophobicContact CD2-CE1 3.86Å; L30-F117 HydrophobicContact CD2-CE2 3.46Å; L30-F117 VanDerWaalsContact CD2-CE2 3.46Å; L30-F117 HydrophobicContact CD2-CG 4.35Å; L30-F117 HydrophobicContact CD2-CZ 3.44Å; L30-F117 VanDerWaalsContact CD2-CZ 3.44Å; L30-F117 HydrophobicContact CG-CE2 4.26Å; L30-F117 HydrophobicContact CG-CZ 4.44Å; L30-D120 HydrophobicContact CD1-CB 4.29Å; L30-V133 HydrophobicContact CD1-CB 4.43Å; L30-V133 HydrophobicContact CD1-CG1 3.64Å; L30-F135 HydrophobicContact CD1-CB 4.13Å; L30-F135 HydrophobicContact CD1-CD1 4.22Å; L30-F135 HydrophobicContact CD2-CB 4.28Å; L30-N311 HydrophobicContact CD2-CB 3.73Å | ||
| 31 | V | 86.6 | Confident | 88 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | trans | -115 | 132.1 | 175.6 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | M34 N311 V345 R346 | V31-M34 HydrophobicContact CB-CE 3.95Å; V31-M34 HydrophobicContact CB-CG 4.29Å; V31-M34 HydrophobicContact CB-SD 3.64Å; V31-M34 HydrophobicContact CG1-CE 4.43Å; V31-M34 HydrophobicContact CG1-CG 3.73Å; V31-M34 HydrophobicContact CG1-SD 3.65Å; V31-M34 HydrophobicContact CG2-SD 4.47Å; V31-M34 VanDerWaalsContact O-CE 3.31Å; V31-M34 WeakPolarHBondContact O-CE 2.94Å; V31-N311 PolarHBondContact N-ND2 3.11Å; V31-N311 VanDerWaalsContact N-ND2 3.1Å; V31-N311 PolarHBondContact O-ND2 3.4Å; V31-V345 HydrophobicContact CG1-CB 4.2Å; V31-V345 HydrophobicContact CG1-CG1 3.59Å; V31-R346 HydrophobicContact CG2-CG 3.89Å | ||
| 32 | H | 86.5 | Confident | 87.9 | Confident | 100 Ų | 100 | 54.4 Ų | 54.4 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | trans | -106.6 | 161 | 174 | -53 | -56.4 | 0 | 0 | 0 | 110.7 | M134 R349 | H32-M134 PolarHBondContact CE1-O 3Å; H32-M134 VanDerWaalsContact CE1-O 3.31Å; H32-R349 PolarHBondContact O-NH2 2.83Å | ||
| 33 | G | 84.5 | Confident | 88 | Confident | 77 Ų | 77 | 54 Ų | 54 | 79% | 0.794 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 77.5 | 21.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 34 | M | 89 | Confident | 88 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 153.8 | 174.9 | -63.5 | -178.4 | -58.4 | 0 | 0 | 111.1 | V31 V310 N311 E341 Q342 V345 | V31-M34 HydrophobicContact CB-CE 3.95Å; V31-M34 HydrophobicContact CB-CG 4.29Å; V31-M34 HydrophobicContact CB-SD 3.64Å; V31-M34 HydrophobicContact CG1-CE 4.43Å; V31-M34 HydrophobicContact CG1-CG 3.73Å; V31-M34 HydrophobicContact CG1-SD 3.65Å; V31-M34 HydrophobicContact CG2-SD 4.47Å; V31-M34 VanDerWaalsContact O-CE 3.31Å; V31-M34 WeakPolarHBondContact O-CE 2.94Å; M34-V310 HydrophobicContact CE-CB 3.86Å; M34-V310 HydrophobicContact CE-CG2 3.91Å; M34-V310 WeakPolarHBondContact CE-O 3.27Å; M34-N311 VanDerWaalsContact CE-ND2 3.31Å; M34-N311 WeakPolarHBondContact CE-ND2 3.27Å; M34-E341 HydrophobicContact CB-CG 3.96Å; M34-E341 HydrophobicContact CG-CG 4.39Å; M34-Q342 HydrophobicContact CE-CG 4.05Å; M34-Q342 VanDerWaalsContact SD-CA 3.58Å; M34-Q342 HydrophobicContact SD-CB 3.98Å; M34-Q342 HydrophobicContact SD-CG 3.62Å; M34-V345 HydrophobicContact CG-CB 4.23Å; M34-V345 HydrophobicContact CG-CG1 4.41Å; M34-V345 HydrophobicContact CG-CG2 3.93Å |
| 35 | R | 89.6 | Confident | 88.1 | Confident | 188 Ų | 188 | 54.5 Ų | 54.5 | 71% | 0.709 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 140.7 | 170.4 | -62.2 | 177.4 | -179.3 | -175.9 | 2.2 | 110 | Q338 E341 | R35-Q338 PolarHBondContact O-NE2 3.1Å; R35-Q338 PolarHBondContact O-OE1 3.25Å; R35-E341 WeakPolarHBondContact CB-OE1 3.34Å; R35-E341 PolarHBondContact N-OE1 3.48Å |
| 36 | T | 89.8 | Confident | 88.4 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 123.8 | 174.3 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | A307 V310 | T36-A307 HydrophobicContact CG2-CB 3.34Å; T36-V310 HydrophobicContact CG2-CG1 4.41Å; T36-V310 WeakPolarHBondContact OG1-CG1 3.46Å |
| 37 | H | 88.9 | Confident | 89 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 128.8 | 176.4 | -68 | -89.4 | 0 | 0 | 0 | 110.5 | K337 Q338 E341 | H37-K337 HydrophobicContact CB-CB 4.33Å; H37-Q338 HydrophobicContact CB-CB 4.4Å; H37-E341 IonicContact CD2-OE2 2.68Å; H37-E341 IonicContact CE1-OE2 3.42Å; H37-E341 IonicContact NE2-OE2 3.42Å; H37-E341 PolarHBondContact NE2-OE2 2.85Å |
| 38 | S | 86 | Confident | 89.5 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | trans | -126 | 150.1 | 174.7 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 39 | A | 87.4 | Confident | 90 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -87.4 | 131.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | A41 L330 L331 A334 | A39-A41 HydrophobicContact CB-CB 4.1Å; A39-A41 PolarHBondContact O-N 3.04Å; A39-L330 HydrophobicContact CB-CB 4.48Å; A39-L331 HydrophobicContact CB-CD2 3.62Å; A39-L331 HydrophobicContact CB-CG 4.15Å; A39-A334 HydrophobicContact CB-CB 3.85Å | ||
| 40 | N | 86.4 | Confident | 90.4 | Very high | 146 Ų | 146 | 48.8 Ų | 48.8 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | trans | -80.5 | 58.2 | 166.7 | -168.4 | 21.1 | 0 | 0 | 0 | 110.4 | L330 | N40-L330 WeakPolarHBondContact O-CD1 3.3Š| ||
| 41 | A | 87.2 | Confident | 90.8 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -118 | 140.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A39 P43 N327 L330 L331 | A39-A41 HydrophobicContact CB-CB 4.1Å; A39-A41 PolarHBondContact O-N 3.04Å; A41-P43 WeakPolarHBondContact O-CD 3.29Å; A41-N327 HydrophobicContact CB-CB 3.97Å; A41-L330 HydrophobicContact CB-CB 4.13Å; A41-L330 HydrophobicContact CB-CD1 4.36Å; A41-L331 HydrophobicContact CB-CD2 4.29Å; A41-L331 HydrophobicContact CB-CG 4.02Å |
| 42 | D | 88 | Confident | 91.2 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | trans | -65 | 120.9 | 174.8 | -53.7 | -55.1 | 0 | 0 | 0 | 109 | N327 | D42-N327 PolarHBondContact N-ND2 2.66Š| ||
| 43 | P | 91.4 | Very high | 91.6 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | trans | -73.2 | 147.3 | -180 | 31.1 | -34.7 | 0 | 0 | 0 | 110.6 | A41 A45 I304 | A41-P43 WeakPolarHBondContact O-CD 3.29Å; P43-A45 PolarHBondContact O-N 3.19Å; P43-I304 VanDerWaalsContact CB-C 3.45Å | ||
| 44 | P | 90.2 | Very high | 92.1 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -66.8 | -25.3 | 176 | 25.7 | -33 | 0 | 0 | 0 | 112.9 | L303 V323 | P44-L303 WeakPolarHBondContact CD-O 3.49Å; P44-L303 HydrophobicContact CG-CB 4.47Å; P44-L303 HydrophobicContact CG-CD2 3.78Å; P44-L303 VanDerWaalsContact CG-O 3.26Å; P44-L303 WeakPolarHBondContact CG-O 3.16Å; P44-V323 HydrophobicContact CB-CG1 4.29Å; P44-V323 HydrophobicContact CG-CG1 4.41Å |
| 45 | A | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | trans | -138.3 | 158.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | P43 R264 V266 L303 I304 | P43-A45 PolarHBondContact O-N 3.19Å; A45-R264 WeakPolarHBondContact CB-O 3.14Å; A45-V266 HydrophobicContact CB-CB 3.85Å; A45-V266 HydrophobicContact CB-CG1 3.85Å; A45-L303 PolarHBondContact N-O 2.86Å; A45-I304 HydrophobicContact CB-CG2 4.46Å; A45-I304 WeakPolarHBondContact O-CA 3.27Å | ||
| 46 | D | 96.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -97 | -26 | 171.1 | -73 | -51.4 | 0 | 0 | 0 | 111.8 | N216 K217 I218 R264 | D46-N216 HydrophobicContact CB-CB 4.38Å; D46-N216 CarbonylContact O-C 3.29Å; D46-N216 WeakPolarHBondContact OD1-CB 3.19Å; D46-K217 PolarHBondContact O-N 3.48Å; D46-I218 PolarHBondContact O-N 3.36Å; D46-R264 HydrophobicContact CB-CB 4.21Å; D46-R264 PolarHBondContact N-O 3.34Å |
| 47 | R | 97.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.8 | -179.4 | -72.4 | 163.2 | -56.4 | -81.2 | -4.2 | 111.4 | V213 I218 F220 D262 R264 T265 V266 | R47-V213 WeakPolarHBondContact CD-O 3.4Å; R47-I218 CarbonylContact C-O 3.58Å; R47-I218 WeakPolarHBondContact CA-O 3.4Å; R47-I218 HydrophobicContact CB-CB 4.4Å; R47-I218 HydrophobicContact CG-CB 3.63Å; R47-I218 HydrophobicContact CG-CG1 4.27Å; R47-I218 HydrophobicContact CG-CG2 3.87Å; R47-F220 HydrophobicContact CG-CE2 4.46Å; R47-D262 IonicContact CZ-OD1 3.78Å; R47-D262 IonicContact CZ-OD2 2.83Å; R47-D262 IonicContact NH1-OD2 3.89Å; R47-D262 PolarHBondContact NH1-OD2 3.03Å; R47-D262 IonicContact NH2-OD1 3.49Å; R47-D262 PolarHBondContact NH2-OD1 3.24Å; R47-D262 IonicContact NH2-OD2 3.69Å; R47-D262 PolarHBondContact NH2-OD2 3.41Å; R47-R264 PolarHBondContact N-O 2.63Å; R47-R264 VanDerWaalsContact N-O 3.14Å; R47-R264 PolarHBondContact NH2-O 3.18Å; R47-T265 HydrophobicContact CB-CG2 4.21Å; R47-T265 PolarHBondContact NE-OG1 3.43Å; R47-T265 VanDerWaalsContact NE-OG1 3.14Å; R47-T265 PolarHBondContact NH2-OG1 3.1Å; R47-T265 WeakPolarHBondContact O-CA 3.07Å; R47-V266 WeakPolarHBondContact O-CG1 3.38Å; R47-V266 PolarHBondContact O-N 2.89Å |
| 48 | L | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.9 | 171.7 | -175.9 | 144.5 | 0 | 0 | 0 | 110.6 | L50 F138 I218 V219 F220 V266 V268 M300 L303 I304 | L48-L50 HydrophobicContact CD2-CB 3.72Å; L48-F138 HydrophobicContact CD1-CZ 4.26Å; L48-F138 HydrophobicContact CD2-CE1 4.27Å; L48-F138 HydrophobicContact CD2-CZ 4.4Å; L48-I218 PolarHBondContact N-O 3.39Å; L48-V219 HydrophobicContact CD2-CG1 4.31Å; L48-V219 CarbonylContact O-C 3.59Å; L48-V219 WeakPolarHBondContact O-CA 3.29Å; L48-F220 PolarHBondContact O-N 3.09Å; L48-V266 CarbonylContact C-O 3.59Å; L48-V266 WeakPolarHBondContact CA-O 3.26Å; L48-V266 HydrophobicContact CB-CG1 3.87Å; L48-V266 HydrophobicContact CD1-CG1 3.9Å; L48-V266 HydrophobicContact CG-CG1 3.89Å; L48-V268 HydrophobicContact CD1-CG2 4.04Å; L48-V268 HydrophobicContact CG-CG2 4.34Å; L48-M300 HydrophobicContact CD1-CB 3.8Å; L48-M300 HydrophobicContact CD1-CG 3.76Å; L48-M300 HydrophobicContact CD2-CG 4.43Å; L48-M300 HydrophobicContact CD2-SD 4.15Å; L48-L303 HydrophobicContact CD1-CB 4.31Å; L48-L303 HydrophobicContact CD1-CD1 4.12Å; L48-I304 HydrophobicContact CB-CG2 3.65Å; L48-I304 HydrophobicContact CD1-CG2 4.48Å |
| 49 | V | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110.5 | 171.7 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | F51 F220 L222 I256 T265 V266 Y267 V268 | V49-F51 HydrophobicContact CB-CE2 4.36Å; V49-F51 HydrophobicContact CG1-CD2 4.17Å; V49-F51 HydrophobicContact CG1-CE1 4.33Å; V49-F51 HydrophobicContact CG1-CE2 3.47Å; V49-F51 VanDerWaalsContact CG1-CE2 3.47Å; V49-F51 HydrophobicContact CG1-CZ 3.56Å; V49-F220 CarbonylContact C-O 3.44Å; V49-F220 WeakPolarHBondContact CA-O 3.25Å; V49-F220 HydrophobicContact CG1-CB 4.41Å; V49-F220 HydrophobicContact CG2-CB 4.42Å; V49-F220 HydrophobicContact CG2-CD2 4.09Å; V49-L222 HydrophobicContact CG1-CD1 3.84Å; V49-I256 HydrophobicContact CG1-CD1 4.34Å; V49-I256 HydrophobicContact CG2-CD1 4.12Å; V49-T265 HydrophobicContact CG2-CG2 3.79Å; V49-V266 PolarHBondContact N-O 2.75Å; V49-Y267 HydrophobicContact CB-CD1 3.7Å; V49-Y267 HydrophobicContact CB-CE1 4.02Å; V49-Y267 HydrophobicContact CG1-CD1 4.16Å; V49-Y267 HydrophobicContact CG1-CE1 4.4Å; V49-Y267 HydrophobicContact CG2-CD1 4Å; V49-Y267 HydrophobicContact CG2-CE1 3.82Å; V49-Y267 WeakPolarHBondContact O-CA 2.87Å; V49-V268 PolarHBondContact O-N 2.75Å |
| 50 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.6 | 178.8 | -179.9 | 63.4 | 0 | 0 | 0 | 109.8 | L48 V52 I113 F220 F221 L222 V268 T270 M300 | L48-L50 HydrophobicContact CD2-CB 3.72Å; L50-V52 HydrophobicContact CD1-CG2 4.15Å; L50-V52 HydrophobicContact CD2-CG2 4.01Å; L50-V52 HydrophobicContact CG-CG2 3.86Å; L50-I113 HydrophobicContact CD2-CG2 4.41Å; L50-F220 PolarHBondContact N-O 3.26Å; L50-F221 HydrophobicContact CD2-CD2 3.66Å; L50-F221 HydrophobicContact CD2-CE1 4.28Å; L50-F221 HydrophobicContact CD2-CE2 3.37Å; L50-F221 HydrophobicContact CD2-CG 4.21Å; L50-F221 HydrophobicContact CD2-CZ 3.7Å; L50-F221 HydrophobicContact CG-CE2 4.45Å; L50-F221 HydrophobicContact CG-CZ 4.48Å; L50-L222 PolarHBondContact O-N 2.83Å; L50-V268 WeakPolarHBondContact CA-O 3.47Å; L50-V268 HydrophobicContact CD1-CB 3.84Å; L50-V268 HydrophobicContact CD1-CG1 3.62Å; L50-T270 HydrophobicContact CD1-CG2 4.22Å; L50-M300 HydrophobicContact CD1-SD 3.99Å; L50-M300 HydrophobicContact CD2-CE 4.4Å; L50-M300 HydrophobicContact CD2-SD 3.73Å; L50-M300 HydrophobicContact CG-SD 4.34Å |
| 51 | F | 96.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.7 | 168.5 | -61.1 | -80.9 | 0 | 0 | 0 | 108.9 | V49 F193 L222 L224 I249 L252 Y267 V268 F269 T270 | V49-F51 HydrophobicContact CB-CE2 4.36Å; V49-F51 HydrophobicContact CG1-CD2 4.17Å; V49-F51 HydrophobicContact CG1-CE1 4.33Å; V49-F51 HydrophobicContact CG1-CE2 3.47Å; V49-F51 VanDerWaalsContact CG1-CE2 3.47Å; V49-F51 HydrophobicContact CG1-CZ 3.56Å; F51-F193 HydrophobicContact CD1-CE1 4.5Å; F51-F193 HydrophobicContact CE1-CE1 4.25Å; F51-L222 WeakPolarHBondContact CA-O 3.4Å; F51-L222 HydrophobicContact CD1-CB 3.87Å; F51-L222 HydrophobicContact CD1-CD1 4.38Å; F51-L222 HydrophobicContact CD1-CD2 4.44Å; F51-L222 HydrophobicContact CD1-CG 4.46Å; F51-L222 HydrophobicContact CE1-CB 4.17Å; F51-L222 HydrophobicContact CE1-CD1 4.05Å; F51-L222 HydrophobicContact CE1-CD2 3.91Å; F51-L222 HydrophobicContact CE1-CG 4.27Å; F51-L224 HydrophobicContact CB-CD1 4.48Å; F51-L224 HydrophobicContact CD1-CD1 4.32Å; F51-I249 HydrophobicContact CB-CD1 4.26Å; F51-I249 HydrophobicContact CD1-CD1 4.29Å; F51-I249 HydrophobicContact CD1-CG1 3.86Å; F51-I249 HydrophobicContact CD2-CD1 4.47Å; F51-I249 HydrophobicContact CD2-CG1 4.34Å; F51-I249 HydrophobicContact CD2-CG2 4.35Å; F51-I249 HydrophobicContact CE1-CG1 3.92Å; F51-I249 HydrophobicContact CE2-CG1 4.39Å; F51-I249 HydrophobicContact CE2-CG2 3.99Å; F51-I249 HydrophobicContact CG-CD1 4.11Å; F51-I249 HydrophobicContact CG-CG1 4.07Å; F51-I249 HydrophobicContact CZ-CG1 4.2Å; F51-I249 HydrophobicContact CZ-CG2 4.22Å; F51-L252 HydrophobicContact CE1-CD1 4.12Å; F51-L252 HydrophobicContact CZ-CB 4.5Å; F51-L252 HydrophobicContact CZ-CD1 4.43Å; F51-Y267 HydrophobicContact CE2-CD1 4.12Å; F51-V268 PolarHBondContact N-O 3.22Å; F51-F269 HydrophobicContact CB-CD2 3.74Å; F51-F269 WeakPolarHBondContact O-CA 3.35Å; F51-T270 PolarHBondContact O-N 3.48Å |
| 52 | V | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 110.3 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | L50 I113 F221 L222 L224 T270 D272 | L50-V52 HydrophobicContact CD1-CG2 4.15Å; L50-V52 HydrophobicContact CD2-CG2 4.01Å; L50-V52 HydrophobicContact CG-CG2 3.86Å; V52-I113 HydrophobicContact CG1-CD1 4.12Å; V52-F221 HydrophobicContact CB-CE1 4.2Å; V52-F221 HydrophobicContact CB-CZ 4.41Å; V52-F221 HydrophobicContact CG2-CE1 3.7Å; V52-F221 HydrophobicContact CG2-CZ 3.59Å; V52-L222 PolarHBondContact N-O 3.39Å; V52-L222 VanDerWaalsContact N-O 3.08Å; V52-L224 WeakPolarHBondContact O-CB 3.49Å; V52-L224 PolarHBondContact O-N 3.33Å; V52-T270 CarbonylContact C-O 3.47Å; V52-T270 WeakPolarHBondContact CA-O 3.02Å; V52-T270 HydrophobicContact CB-CG2 4.43Å; V52-T270 HydrophobicContact CG1-CG2 4.31Å; V52-T270 HydrophobicContact CG2-CG2 3.84Å; V52-D272 HydrophobicContact CG1-CB 4.16Å |
| 53 | A | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 99 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | L56 L224 F269 T270 A271 | A53-L56 HydrophobicContact CB-CB 3.91Å; A53-L56 HydrophobicContact CB-CD2 3.85Å; A53-L56 WeakPolarHBondContact O-CB 2.71Å; A53-L56 PolarHBondContact O-N 3.43Å; A53-L224 WeakPolarHBondContact CA-O 3.38Å; A53-F269 HydrophobicContact CB-CE2 3.95Å; A53-F269 HydrophobicContact CB-CZ 3.92Å; A53-T270 PolarHBondContact N-O 3.16Å; A53-A271 WeakPolarHBondContact O-CA 3.27Å; A53-A271 WeakPolarHBondContact O-CB 3.36Å |
| 54 | D | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 136.2 | -177.5 | -158.2 | -34 | 0 | 0 | 0 | 110.6 | L56 S106 Y223 L224 V227 D228 D272 H273 | D54-L56 PolarHBondContact O-N 3.45Å; D54-S106 PolarHBondContact OD1-OG 2.9Å; D54-S106 VanDerWaalsContact OD2-CB 3.25Å; D54-S106 WeakPolarHBondContact OD2-CB 3.43Å; D54-S106 PolarHBondContact OD2-OG 3.23Å; D54-S106 VanDerWaalsContact OD2-OG 3.12Å; D54-Y223 HydrophobicContact CB-CE2 4.03Å; D54-Y223 WeakPolarHBondContact OD2-CE2 3.47Å; D54-Y223 PolarHBondContact OD2-OH 2.87Å; D54-L224 PolarHBondContact N-O 3.48Å; D54-V227 WeakPolarHBondContact O-CB 3.45Å; D54-D228 HydrophobicContact CB-CB 4.03Å; D54-D228 PolarHBondContact O-N 3.05Å; D54-D228 VanDerWaalsContact O-N 3.1Å; D54-D272 VanDerWaalsContact CA-OD1 3.31Å; D54-D272 WeakPolarHBondContact CA-OD1 3.35Å; D54-H273 IonicContact OD1-CD2 3.97Å; D54-H273 IonicContact OD1-CE1 3.03Å; D54-H273 IonicContact OD1-NE2 3.95Å; D54-H273 PolarHBondContact OD1-NE2 2.93Å |
| 55 | G | 93.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 6.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R57 Y238 D272 H273 M275 | G55-R57 PolarHBondContact O-N 3Å; G55-Y238 PolarHBondContact O-OH 3.37Å; G55-D272 PolarHBondContact N-OD1 3.24Å; G55-H273 CarbonylContact C-O 3.58Å; G55-H273 VanDerWaalsContact C-O 3.23Å; G55-H273 WeakPolarHBondContact CA-O 3.4Å; G55-M275 VanDerWaalsContact O-CE 3.3Å; G55-M275 WeakPolarHBondContact O-CE 3.42Å |
| 56 | L | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | -81.8 | 99 | -179.6 | -179.5 | 62.5 | 0 | 0 | 0 | 113.1 | A53 D54 F61 V227 Y238 I242 F269 A271 H273 | A53-L56 HydrophobicContact CB-CB 3.91Å; A53-L56 HydrophobicContact CB-CD2 3.85Å; A53-L56 WeakPolarHBondContact O-CB 2.71Å; A53-L56 PolarHBondContact O-N 3.43Å; D54-L56 PolarHBondContact O-N 3.45Å; L56-F61 HydrophobicContact CD1-CB 4.41Å; L56-F61 HydrophobicContact CD2-CB 4.43Å; L56-F61 HydrophobicContact CD2-CD2 4.01Å; L56-F61 HydrophobicContact CG-CB 4.42Å; L56-V227 HydrophobicContact CB-CG1 4.03Å; L56-V227 HydrophobicContact CD1-CG1 4.28Å; L56-Y238 HydrophobicContact CD1-CE1 4.45Å; L56-I242 HydrophobicContact CD1-CD1 3.71Å; L56-I242 HydrophobicContact CD1-CG1 3.75Å; L56-F269 HydrophobicContact CD2-CE1 3.9Å; L56-F269 HydrophobicContact CD2-CZ 3.53Å; L56-A271 HydrophobicContact CB-CB 3.88Å; L56-A271 WeakPolarHBondContact O-CB 3.43Å; L56-H273 PolarHBondContact N-O 3.48Å | ||
| 57 | R | 92.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | trans | -67.2 | 141.4 | 173.3 | 69.5 | -169.4 | -170.4 | 175.1 | 1.2 | 112.9 | G55 K59 S60 F61 M275 D277 E287 | G55-R57 PolarHBondContact O-N 3Å; R57-K59 HydrophobicContact CG-CB 4.36Å; R57-K59 PolarHBondContact O-N 3.41Å; R57-S60 WeakPolarHBondContact CG-OG 3.38Å; R57-S60 PolarHBondContact NE-OG 3.26Å; R57-S60 PolarHBondContact O-N 2.9Å; R57-F61 PolarHBondContact O-N 2.94Å; R57-M275 WeakPolarHBondContact CD-O 3.14Å; R57-M275 PolarHBondContact NH1-O 3.39Å; R57-D277 IonicContact CZ-OD1 3.48Å; R57-D277 VanDerWaalsContact CZ-OD1 3.26Å; R57-D277 IonicContact NH1-OD1 3.42Å; R57-D277 PolarHBondContact NH1-OD1 2.8Å; R57-D277 IonicContact NH2-OD1 3.22Å; R57-D277 PolarHBondContact NH2-OD1 3.44Å; R57-E287 WeakPolarHBondContact CB-O 3.23Å | ||
| 58 | A | 91.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.3 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | S60 F61 F62 V97 L290 | A58-S60 PolarHBondContact O-N 2.87Å; A58-F61 WeakPolarHBondContact O-CB 3.13Å; A58-F61 PolarHBondContact O-N 3.47Å; A58-F62 HydrophobicContact CB-CD2 4.2Å; A58-F62 HydrophobicContact CB-CE2 4.28Å; A58-F62 WeakPolarHBondContact O-CD2 3.26Å; A58-F62 PolarHBondContact O-N 2.97Å; A58-V97 HydrophobicContact CB-CG1 3.93Å; A58-L290 HydrophobicContact CB-CB 4.09Å; A58-L290 VanDerWaalsContact CB-O 3.31Å; A58-L290 WeakPolarHBondContact CB-O 3.39Å; A58-L290 PolarHBondContact N-O 3.42Å |
| 59 | K | 91.5 | Very high | 90.2 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 34% | 0.335 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53.7 | -55 | 177.2 | -177.5 | -180 | 177.7 | -175.4 | 0 | 111.7 | R57 F61 F62 E63 | R57-K59 HydrophobicContact CG-CB 4.36Å; R57-K59 PolarHBondContact O-N 3.41Å; K59-F61 VanDerWaalsContact C-N 3.26Å; K59-F61 PolarHBondContact O-N 2.94Å; K59-F62 CarbonylContact O-C 3.57Å; K59-F62 PolarHBondContact O-N 2.95Å; K59-F62 VanDerWaalsContact O-N 3.16Å; K59-E63 WeakPolarHBondContact CE-OE1 3.45Å; K59-E63 HydrophobicContact CG-CG 4.19Å; K59-E63 WeakPolarHBondContact CG-OE1 3.48Å; K59-E63 WeakPolarHBondContact O-CB 3.38Å; K59-E63 VanDerWaalsContact O-CG 3.28Å; K59-E63 WeakPolarHBondContact O-CG 3.43Å; K59-E63 PolarHBondContact O-N 3.35Å |
| 60 | S | 90.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -30.6 | -179.8 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | R57 A58 K71 | R57-S60 WeakPolarHBondContact CG-OG 3.38Å; R57-S60 PolarHBondContact NE-OG 3.26Å; R57-S60 PolarHBondContact O-N 2.9Å; A58-S60 PolarHBondContact O-N 2.87Å; S60-K71 WeakPolarHBondContact O-CD 3.25Å |
| 61 | F | 89.6 | Confident | 89.4 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69 | -40.1 | 174.3 | -178.6 | -102.1 | 0 | 0 | 0 | 112.7 | L56 R57 A58 K59 S72 L75 R76 L79 F269 P292 | L56-F61 HydrophobicContact CD1-CB 4.41Å; L56-F61 HydrophobicContact CD2-CB 4.43Å; L56-F61 HydrophobicContact CD2-CD2 4.01Å; L56-F61 HydrophobicContact CG-CB 4.42Å; R57-F61 PolarHBondContact O-N 2.94Å; A58-F61 WeakPolarHBondContact O-CB 3.13Å; A58-F61 PolarHBondContact O-N 3.47Å; K59-F61 VanDerWaalsContact C-N 3.26Å; K59-F61 PolarHBondContact O-N 2.94Å; F61-S72 PolarHBondContact O-OG 2.96Å; F61-L75 HydrophobicContact CE2-CB 4.21Å; F61-L75 HydrophobicContact CE2-CD1 3.78Å; F61-L75 HydrophobicContact CZ-CB 4.03Å; F61-L75 HydrophobicContact CZ-CD1 4.24Å; F61-R76 PolarHBondContact O-NH2 3.37Å; F61-L79 HydrophobicContact CE1-CD1 4.48Å; F61-F269 AromaticContact CD2-CE1 3.88Å; F61-F269 HydrophobicContact CD2-CE1 3.88Å; F61-F269 HydrophobicContact CD2-CZ 4.49Å; F61-F269 HydrophobicContact CE2-CD1 4.11Å; F61-F269 AromaticContact CE2-CE1 3.47Å; F61-F269 HydrophobicContact CE2-CE1 3.47Å; F61-F269 VanDerWaalsContact CE2-CE1 3.47Å; F61-F269 HydrophobicContact CE2-CZ 4.22Å; F61-F269 HydrophobicContact CZ-CD1 4.24Å; F61-F269 HydrophobicContact CZ-CE1 4.02Å; F61-P292 HydrophobicContact CB-CG 4.13Å; F61-P292 HydrophobicContact CD1-CB 4.37Å; F61-P292 HydrophobicContact CD1-CG 3.99Å; F61-P292 HydrophobicContact CD2-CG 4.49Å; F61-P292 HydrophobicContact CG-CG 3.94Å |
| 62 | F | 86.9 | Confident | 89.1 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 25% | 0.25 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -96.2 | -2 | -176.4 | -66.3 | -65 | 0 | 0 | 0 | 115.3 | A58 K59 R76 L79 W95 V97 | A58-F62 HydrophobicContact CB-CD2 4.2Å; A58-F62 HydrophobicContact CB-CE2 4.28Å; A58-F62 WeakPolarHBondContact O-CD2 3.26Å; A58-F62 PolarHBondContact O-N 2.97Å; K59-F62 CarbonylContact O-C 3.57Å; K59-F62 PolarHBondContact O-N 2.95Å; K59-F62 VanDerWaalsContact O-N 3.16Å; F62-R76 VanDerWaalsContact CA-NH2 3.32Å; F62-R76 VanDerWaalsContact O-CZ 3.26Å; F62-R76 PolarHBondContact O-NH1 3.49Å; F62-R76 PolarHBondContact O-NH2 3.49Å; F62-L79 HydrophobicContact CE1-CD1 4.35Å; F62-W95 HydrophobicContact CE1-CE3 4.05Å; F62-W95 HydrophobicContact CE1-CZ3 4.46Å; F62-W95 AromaticContact CZ-CE3 3.85Å; F62-W95 HydrophobicContact CZ-CE3 3.85Å; F62-W95 HydrophobicContact CZ-CZ3 4.32Å; F62-V97 HydrophobicContact CE2-CG2 3.89Å |
| 63 | E | 87.8 | Confident | 88.7 | Confident | 82 Ų | 82 | 38 Ų | 38 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -90.5 | 157.3 | 170.5 | -76 | 176.2 | 172.1 | 0 | 0 | 112.5 | K59 R76 | K59-E63 WeakPolarHBondContact CE-OE1 3.45Å; K59-E63 HydrophobicContact CG-CG 4.19Å; K59-E63 WeakPolarHBondContact CG-OE1 3.48Å; K59-E63 WeakPolarHBondContact O-CB 3.38Å; K59-E63 VanDerWaalsContact O-CG 3.28Å; K59-E63 WeakPolarHBondContact O-CG 3.43Å; K59-E63 PolarHBondContact O-N 3.35Å; E63-R76 VanDerWaalsContact C-NH2 3.34Å; E63-R76 PolarHBondContact O-NH2 2.61Å |
| 64 | C | 86.5 | Confident | 88.3 | Confident | 55 Ų | 55 | 39 Ų | 39 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -86.5 | 162.6 | 166.8 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | G68 A69 K71 | C64-G68 PolarHBondContact SG-O 3.29Å; C64-A69 CarbonylContact C-O 3.58Å; C64-A69 WeakPolarHBondContact CA-O 3.37Å; C64-A69 WeakPolarHBondContact CB-O 3.37Å; C64-K71 VanDerWaalsContact C-CE 3.41Å; C64-K71 VanDerWaalsContact O-CE 3.24Å; C64-K71 WeakPolarHBondContact O-CE 3.24Å |
| 65 | D | 83.1 | Confident | 88 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | trans | -70.4 | 179.8 | 169.5 | 79.6 | -9 | 0 | 0 | 0 | 111.6 | N67 G68 A69 K71 R243 | D65-N67 PolarHBondContact O-N 2.94Å; D65-N67 VanDerWaalsContact O-N 3.14Å; D65-N67 WeakPolarHBondContact OD1-CA 3.46Å; D65-N67 WeakPolarHBondContact OD1-CB 3.35Å; D65-N67 PolarHBondContact OD1-N 3.11Å; D65-G68 PolarHBondContact O-N 3.37Å; D65-G68 PolarHBondContact OD1-N 3.3Å; D65-A69 PolarHBondContact N-O 3.12Å; D65-A69 WeakPolarHBondContact OD1-CA 3.43Å; D65-A69 WeakPolarHBondContact OD1-CB 3.48Å; D65-A69 PolarHBondContact OD1-N 3.03Å; D65-K71 HydrophobicContact CB-CG 4.33Å; D65-R243 VanDerWaalsContact CG-NH2 3.33Å; D65-R243 IonicContact OD2-CZ 3.02Å; D65-R243 IonicContact OD2-NH1 3.85Å; D65-R243 IonicContact OD2-NH2 3.77Å; D65-R243 PolarHBondContact OD2-NH2 2.83Å | ||
| 66 | V | 79.8 | Confident | 87.4 | Confident | 132 Ų | 132 | 41.8 Ų | 41.8 | 80% | 0.8 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.7 | 177.9 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 67 | N | 83.8 | Confident | 86.5 | Confident | 134 Ų | 134 | 47.2 Ų | 47.2 | 72% | 0.717 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 3.7 | 177.6 | -57.4 | -55.8 | 0 | 0 | 0 | 112.5 | D65 A69 | D65-N67 PolarHBondContact O-N 2.94Å; D65-N67 VanDerWaalsContact O-N 3.14Å; D65-N67 WeakPolarHBondContact OD1-CA 3.46Å; D65-N67 WeakPolarHBondContact OD1-CB 3.35Å; D65-N67 PolarHBondContact OD1-N 3.11Å; N67-A69 VanDerWaalsContact C-N 3.25Å; N67-A69 PolarHBondContact O-N 3.33Å |
| 68 | G | 83 | Confident | 85.5 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 77.5 | 5.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | C64 D65 | C64-G68 PolarHBondContact SG-O 3.29Å; D65-G68 PolarHBondContact O-N 3.37Å; D65-G68 PolarHBondContact OD1-N 3.3Å |
| 69 | A | 85.6 | Confident | 84.1 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | trans | -79.9 | 137.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C64 D65 N67 K71 | C64-A69 CarbonylContact C-O 3.58Å; C64-A69 WeakPolarHBondContact CA-O 3.37Å; C64-A69 WeakPolarHBondContact CB-O 3.37Å; D65-A69 PolarHBondContact N-O 3.12Å; D65-A69 WeakPolarHBondContact OD1-CA 3.43Å; D65-A69 WeakPolarHBondContact OD1-CB 3.48Å; D65-A69 PolarHBondContact OD1-N 3.03Å; N67-A69 VanDerWaalsContact C-N 3.25Å; N67-A69 PolarHBondContact O-N 3.33Å; A69-K71 PolarHBondContact O-N 3.26Å | ||
| 70 | V | 87 | Confident | 82.4 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 131.3 | 176 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | R76 | V70-R76 HydrophobicContact CG1-CB 3.87Å; V70-R76 VanDerWaalsContact CG1-CD 3.47Å; V70-R76 HydrophobicContact CG1-CG 3.47Å; V70-R76 VanDerWaalsContact CG1-CG 3.47Å |
| 71 | K | 89.5 | Confident | 80.6 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -75.5 | -29.7 | -177.6 | -58.4 | 176.7 | -174.3 | -169.4 | 0 | 113.2 | S60 C64 D65 A69 P73 D239 I242 R243 | S60-K71 WeakPolarHBondContact O-CD 3.25Å; C64-K71 VanDerWaalsContact C-CE 3.41Å; C64-K71 VanDerWaalsContact O-CE 3.24Å; C64-K71 WeakPolarHBondContact O-CE 3.24Å; D65-K71 HydrophobicContact CB-CG 4.33Å; A69-K71 PolarHBondContact O-N 3.26Å; K71-P73 VanDerWaalsContact C-CD 3.47Å; K71-P73 WeakPolarHBondContact O-CD 3.41Å; K71-D239 HydrophobicContact CD-CB 4.3Å; K71-D239 WeakPolarHBondContact CD-OD1 3.34Å; K71-D239 VanDerWaalsContact CE-OD1 3.26Å; K71-D239 WeakPolarHBondContact CE-OD1 3.04Å; K71-D239 WeakPolarHBondContact CE-OD2 3.36Å; K71-D239 IonicContact NZ-OD1 2.89Å; K71-D239 PolarHBondContact NZ-OD1 3.26Å; K71-D239 IonicContact NZ-OD2 2.76Å; K71-D239 PolarHBondContact NZ-OD2 3.37Å; K71-I242 HydrophobicContact CB-CB 4.48Å; K71-I242 HydrophobicContact CB-CG2 3.96Å; K71-I242 HydrophobicContact CD-CD1 4.37Å; K71-R243 WeakPolarHBondContact O-CA 3.06Å; K71-R243 WeakPolarHBondContact O-CG 3.33Å |
| 72 | S | 88.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -122.9 | 63.6 | -180 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | F61 F74 L75 R76 D246 | F61-S72 PolarHBondContact O-OG 2.96Å; S72-F74 PolarHBondContact O-N 3.38Å; S72-L75 PolarHBondContact O-N 3.49Å; S72-R76 WeakPolarHBondContact O-CB 3.45Å; S72-R76 WeakPolarHBondContact O-CG 3.41Å; S72-R76 PolarHBondContact O-N 2.83Å; S72-D246 VanDerWaalsContact C-CG 3.44Å; S72-D246 VanDerWaalsContact C-OD1 3.27Å; S72-D246 VanDerWaalsContact CA-CG 3.47Å; S72-D246 WeakPolarHBondContact CA-OD1 3.43Å |
| 73 | P | 87.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.5 | -38.8 | -170.8 | 24 | -35 | 0 | 0 | 0 | 114.2 | K71 F77 D246 | K71-P73 VanDerWaalsContact C-CD 3.47Å; K71-P73 WeakPolarHBondContact O-CD 3.41Å; P73-F77 WeakPolarHBondContact O-CB 3.47Å; P73-F77 PolarHBondContact O-N 3.12Å; P73-D246 WeakPolarHBondContact CD-OD2 3.39Å; P73-D246 WeakPolarHBondContact CG-OD2 3.41Å; P73-D246 VanDerWaalsContact N-OD2 3.16Å |
| 74 | F | 87.8 | Confident | 74.6 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 10% | 0.101 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.7 | -53.3 | 179.6 | 170.2 | -103.6 | 0 | 0 | 0 | 111.5 | S72 R76 F77 V78 D246 I249 E250 H253 | S72-F74 PolarHBondContact O-N 3.38Å; F74-R76 VanDerWaalsContact C-N 3.29Å; F74-R76 PolarHBondContact O-N 3.35Å; F74-F77 WeakPolarHBondContact O-CB 3.35Å; F74-F77 PolarHBondContact O-N 3.27Å; F74-F77 VanDerWaalsContact O-N 3.1Å; F74-V78 HydrophobicContact CD2-CG2 4.41Å; F74-V78 HydrophobicContact CE1-CG2 4.22Å; F74-V78 HydrophobicContact CE2-CG2 3.98Å; F74-V78 HydrophobicContact CZ-CG2 3.87Å; F74-V78 WeakPolarHBondContact O-CG2 3.24Å; F74-V78 PolarHBondContact O-N 3.44Å; F74-D246 WeakPolarHBondContact CB-OD2 3.5Å; F74-D246 PolarHBondContact N-OD1 3.3Å; F74-D246 PolarHBondContact N-OD2 2.88Å; F74-I249 HydrophobicContact CD1-CG2 4.37Å; F74-I249 HydrophobicContact CE1-CG2 4.02Å; F74-E250 HydrophobicContact CB-CB 3.96Å; F74-E250 HydrophobicContact CB-CG 4.3Å; F74-E250 HydrophobicContact CD1-CB 3.8Å; F74-E250 HydrophobicContact CD1-CG 4.44Å; F74-E250 HydrophobicContact CD2-CB 3.77Å; F74-E250 HydrophobicContact CD2-CG 3.48Å; F74-E250 VanDerWaalsContact CD2-CG 3.48Å; F74-E250 HydrophobicContact CE1-CB 4.24Å; F74-E250 HydrophobicContact CE2-CB 4.2Å; F74-E250 HydrophobicContact CE2-CG 3.84Å; F74-E250 HydrophobicContact CG-CB 3.54Å; F74-E250 HydrophobicContact CG-CG 3.82Å; F74-E250 HydrophobicContact CZ-CB 4.42Å; F74-E250 HydrophobicContact CZ-CG 4.46Å; F74-H253 HydrophobicContact CE1-CB 4.4Å; F74-H253 HydrophobicContact CZ-CB 4Å; F74-H253 AromaticContact CZ-CG 3.84Å; F74-H253 AromaticContact CZ-ND1 3.94Å |
| 75 | L | 86.8 | Confident | 72.7 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.12 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 178.4 | -71.3 | 171.2 | 0 | 0 | 0 | 110.2 | F61 S72 F77 V78 L79 D246 I249 F269 | F61-L75 HydrophobicContact CE2-CB 4.21Å; F61-L75 HydrophobicContact CE2-CD1 3.78Å; F61-L75 HydrophobicContact CZ-CB 4.03Å; F61-L75 HydrophobicContact CZ-CD1 4.24Å; S72-L75 PolarHBondContact O-N 3.49Å; L75-F77 PolarHBondContact O-N 3.1Å; L75-V78 PolarHBondContact O-N 3.27Å; L75-L79 VanDerWaalsContact O-CG 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 2.95Å; L75-L79 VanDerWaalsContact O-N 3.16Å; L75-D246 WeakPolarHBondContact CB-OD1 3.49Å; L75-D246 VanDerWaalsContact CG-OD1 3.28Å; L75-D246 WeakPolarHBondContact CG-OD1 3.25Å; L75-D246 PolarHBondContact N-OD1 3.19Å; L75-I249 HydrophobicContact CD1-CD1 4.03Å; L75-I249 HydrophobicContact CD2-CG2 4.16Å; L75-F269 HydrophobicContact CD1-CD1 3.94Å; L75-F269 HydrophobicContact CD1-CD2 4.07Å; L75-F269 HydrophobicContact CD1-CE1 3.91Å; L75-F269 HydrophobicContact CD1-CE2 4.05Å; L75-F269 HydrophobicContact CD1-CG 4.01Å; L75-F269 HydrophobicContact CD1-CZ 3.95Å; L75-F269 HydrophobicContact CD2-CB 4.39Å; L75-F269 HydrophobicContact CD2-CG 4.39Å |
| 76 | R | 81.9 | Confident | 70.9 | Confident | 35 Ų | 35 | 76.2 Ų | 76.2 | 13% | 0.132 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 174 | -74.3 | -122.9 | -164.8 | 168.8 | 22.7 | 113.5 | F61 F62 E63 V70 S72 F74 L79 F80 | F61-R76 PolarHBondContact O-NH2 3.37Å; F62-R76 VanDerWaalsContact CA-NH2 3.32Å; F62-R76 VanDerWaalsContact O-CZ 3.26Å; F62-R76 PolarHBondContact O-NH1 3.49Å; F62-R76 PolarHBondContact O-NH2 3.49Å; E63-R76 VanDerWaalsContact C-NH2 3.34Å; E63-R76 PolarHBondContact O-NH2 2.61Å; V70-R76 HydrophobicContact CG1-CB 3.87Å; V70-R76 VanDerWaalsContact CG1-CD 3.47Å; V70-R76 HydrophobicContact CG1-CG 3.47Å; V70-R76 VanDerWaalsContact CG1-CG 3.47Å; S72-R76 WeakPolarHBondContact O-CB 3.45Å; S72-R76 WeakPolarHBondContact O-CG 3.41Å; S72-R76 PolarHBondContact O-N 2.83Å; F74-R76 VanDerWaalsContact C-N 3.29Å; F74-R76 PolarHBondContact O-N 3.35Å; R76-L79 CarbonylContact O-C 3.46Å; R76-L79 WeakPolarHBondContact O-CB 3.48Å; R76-L79 PolarHBondContact O-N 3.13Å; R76-L79 VanDerWaalsContact O-N 3.16Å; R76-F80 WeakPolarHBondContact O-CB 3.42Å; R76-F80 PolarHBondContact O-N 2.68Å |
| 77 | F | 76.2 | Confident | 69.3 | Low | 116 Ų | 116 | 78.9 Ų | 78.9 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177 | 171.7 | -94.8 | 0 | 0 | 0 | 111.1 | P73 F74 L75 L79 F80 W81 | P73-F77 WeakPolarHBondContact O-CB 3.47Å; P73-F77 PolarHBondContact O-N 3.12Å; F74-F77 WeakPolarHBondContact O-CB 3.35Å; F74-F77 PolarHBondContact O-N 3.27Å; F74-F77 VanDerWaalsContact O-N 3.1Å; L75-F77 PolarHBondContact O-N 3.1Å; F77-L79 PolarHBondContact O-N 2.92Å; F77-F80 PolarHBondContact O-N 2.69Å; F77-W81 PolarHBondContact O-N 3Å; F77-W81 VanDerWaalsContact O-N 3.08Å |
| 78 | V | 70.4 | Confident | 67.5 | Low | 45 Ų | 45 | 81.5 Ų | 81.5 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.8 | -33.4 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | F74 L75 | F74-V78 HydrophobicContact CD2-CG2 4.41Å; F74-V78 HydrophobicContact CE1-CG2 4.22Å; F74-V78 HydrophobicContact CE2-CG2 3.98Å; F74-V78 HydrophobicContact CZ-CG2 3.87Å; F74-V78 WeakPolarHBondContact O-CG2 3.24Å; F74-V78 PolarHBondContact O-N 3.44Å; L75-V78 PolarHBondContact O-N 3.27Å |
| 79 | L | 62.1 | Low | 65.5 | Low | 25 Ų | 25 | 85.3 Ų | 85.3 | 13% | 0.131 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -78.8 | -42.2 | 175.7 | -61.2 | -178.1 | 0 | 0 | 0 | 113.9 | F61 F62 L75 R76 F77 W81 F82 W95 | F61-L79 HydrophobicContact CE1-CD1 4.48Å; F62-L79 HydrophobicContact CE1-CD1 4.35Å; L75-L79 VanDerWaalsContact O-CG 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 2.95Å; L75-L79 VanDerWaalsContact O-N 3.16Å; R76-L79 CarbonylContact O-C 3.46Å; R76-L79 WeakPolarHBondContact O-CB 3.48Å; R76-L79 PolarHBondContact O-N 3.13Å; R76-L79 VanDerWaalsContact O-N 3.16Å; F77-L79 PolarHBondContact O-N 2.92Å; L79-W81 VanDerWaalsContact C-N 3.34Å; L79-W81 PolarHBondContact O-N 3.42Å; L79-F82 VanDerWaalsContact O-CB 3.24Å; L79-F82 WeakPolarHBondContact O-CB 3.36Å; L79-F82 PolarHBondContact O-N 3.05Å; L79-W95 HydrophobicContact CD1-CB 3.66Å; L79-W95 HydrophobicContact CD1-CG 4.01Å; L79-W95 HydrophobicContact CD2-CB 3.57Å; L79-W95 HydrophobicContact CD2-CG 4.17Å; L79-W95 HydrophobicContact CG-CB 4.15Å; L79-W95 HydrophobicContact CG-CG 4.48Å |
| 80 | F | 56.5 | Low | 63.4 | Low | 123 Ų | 123 | 88.3 Ų | 88.3 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.2 | -25 | -175.6 | -102 | -81.6 | 0 | 0 | 0 | 113.3 | R76 F77 F82 L83 S84 | R76-F80 WeakPolarHBondContact O-CB 3.42Å; R76-F80 PolarHBondContact O-N 2.68Å; F77-F80 PolarHBondContact O-N 2.69Å; F80-F82 PolarHBondContact O-N 3.06Å; F80-F82 VanDerWaalsContact O-N 3.13Å; F80-L83 HydrophobicContact CD1-CD1 3.83Å; F80-L83 HydrophobicContact CE1-CD1 3.78Å; F80-L83 PolarHBondContact O-N 3.43Å; F80-S84 PolarHBondContact O-N 3.46Å |
| 81 | W | 51.2 | Low | 61.7 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.3 | 175.7 | -149.8 | 88.6 | 0 | 0 | 0 | 111.8 | F77 L79 L83 S84 L86 M89 | F77-W81 PolarHBondContact O-N 3Å; F77-W81 VanDerWaalsContact O-N 3.08Å; L79-W81 VanDerWaalsContact C-N 3.34Å; L79-W81 PolarHBondContact O-N 3.42Å; W81-L83 VanDerWaalsContact C-N 3.28Å; W81-L83 PolarHBondContact O-N 2.84Å; W81-S84 WeakPolarHBondContact CA-OG 3.42Å; W81-S84 PolarHBondContact O-N 3.14Å; W81-S84 PolarHBondContact O-OG 3.09Å; W81-L86 WeakPolarHBondContact CH2-O 3.25Å; W81-M89 VanDerWaalsContact CE3-O 3.29Å; W81-M89 HydrophobicContact CH2-CB 3.74Å; W81-M89 VanDerWaalsContact CH2-N 3.31Å; W81-M89 WeakPolarHBondContact CH2-O 3.47Å; W81-M89 HydrophobicContact CZ2-CB 3.61Å; W81-M89 WeakPolarHBondContact CZ2-O 3.49Å; W81-M89 WeakPolarHBondContact CZ3-O 3.18Å |
| 82 | F | 42.9 | Very low | 60.4 | Low | 120 Ų | 120 | 97.9 Ų | 97.9 | 53% | 0.526 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.3 | 169.4 | -176.7 | -100.7 | 0 | 0 | 0 | 114.2 | L79 F80 | L79-F82 VanDerWaalsContact O-CB 3.24Å; L79-F82 WeakPolarHBondContact O-CB 3.36Å; L79-F82 PolarHBondContact O-N 3.05Å; F80-F82 PolarHBondContact O-N 3.06Å; F80-F82 VanDerWaalsContact O-N 3.13Å |
| 83 | L | 48.1 | Very low | 59.7 | Low | 119 Ų | 119 | 98.4 Ų | 98.4 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -28.1 | -178.1 | -67.6 | 174.5 | 0 | 0 | 0 | 113.2 | F80 W81 R85 | F80-L83 HydrophobicContact CD1-CD1 3.83Å; F80-L83 HydrophobicContact CE1-CD1 3.78Å; F80-L83 PolarHBondContact O-N 3.43Å; W81-L83 VanDerWaalsContact C-N 3.28Å; W81-L83 PolarHBondContact O-N 2.84Å; L83-R85 PolarHBondContact O-N 3.16Å |
| 84 | S | 47.8 | Very low | 59.4 | Low | 51 Ų | 51 | 98.2 Ų | 98.2 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -79.6 | 100.8 | 173.1 | 40.3 | 0 | 0 | 0 | 0 | 109.7 | F80 W81 L86 | F80-S84 PolarHBondContact O-N 3.46Å; W81-S84 WeakPolarHBondContact CA-OG 3.42Å; W81-S84 PolarHBondContact O-N 3.14Å; W81-S84 PolarHBondContact O-OG 3.09Å; S84-L86 PolarHBondContact O-N 2.85Å |
| 85 | R | 46.1 | Very low | 59.3 | Low | 234 Ų | 234 | 103.4 Ų | 103.4 | 88% | 0.883 | 49% | 0.49 | S | S | * | . | trans | -64.1 | 27.3 | -177.2 | -155.5 | 164 | -176.7 | 159.3 | -0.6 | 115.7 | L83 E87 | L83-R85 PolarHBondContact O-N 3.16Å; R85-E87 PolarHBondContact O-N 3.37Å; R85-E87 VanDerWaalsContact O-N 3.12Å | ||
| 86 | L | 45.4 | Very low | 59.3 | Low | 130 Ų | 130 | 102.8 Ų | 102.8 | 68% | 0.681 | 49% | 0.489 | S | S | * | . | trans | -77.1 | 94.2 | 174.1 | -77.9 | 165.8 | 0 | 0 | 0 | 108.4 | W81 S84 Q88 | W81-L86 WeakPolarHBondContact CH2-O 3.25Å; S84-L86 PolarHBondContact O-N 2.85Å; L86-Q88 PolarHBondContact O-N 3.4Å | ||
| 87 | E | 47.6 | Very low | 59.6 | Low | 188 Ų | 188 | 104 Ų | 104 | 88% | 0.879 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 5.5 | -171.7 | -80.7 | 176.2 | 151.3 | 0 | 0 | 117.8 | R85 | R85-E87 PolarHBondContact O-N 3.37Å; R85-E87 VanDerWaalsContact O-N 3.12Å |
| 88 | Q | 45.4 | Very low | 60.2 | Low | 190 Ų | 190 | 99.2 Ų | 99.2 | 89% | 0.888 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 3.6 | -165.7 | -90.8 | 176.4 | -14.7 | 0 | 0 | 118.4 | L86 | L86-Q88 PolarHBondContact O-N 3.4Š|
| 89 | M | 40.3 | Very low | 61.2 | Low | 132 Ų | 132 | 104.5 Ų | 104.5 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | trans | -142.6 | 87.3 | 168.7 | -69.7 | -166.7 | -160.2 | 0 | 0 | 112.3 | W81 R91 | W81-M89 VanDerWaalsContact CE3-O 3.29Å; W81-M89 HydrophobicContact CH2-CB 3.74Å; W81-M89 VanDerWaalsContact CH2-N 3.31Å; W81-M89 WeakPolarHBondContact CH2-O 3.47Å; W81-M89 HydrophobicContact CZ2-CB 3.61Å; W81-M89 WeakPolarHBondContact CZ2-O 3.49Å; W81-M89 WeakPolarHBondContact CZ3-O 3.18Å; M89-R91 PolarHBondContact O-N 3.48Å | ||
| 90 | S | 42.9 | Very low | 62.4 | Low | 107 Ų | 107 | 104 Ų | 104 | 75% | 0.748 | 50% | 0.499 | S | S | * | . | trans | -53.4 | 56.5 | -178.8 | 64.4 | 0 | 0 | 0 | 0 | 117.8 | E92 | S90-E92 VanDerWaalsContact C-N 3.34Å; S90-E92 PolarHBondContact O-N 2.95Å | ||
| 91 | R | 51.3 | Low | 63.7 | Low | 147 Ų | 147 | 106.4 Ų | 106.4 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | trans | -91 | 75.9 | 169.6 | -70.2 | -168.9 | 178.9 | -170.1 | 0.9 | 107.8 | M89 G93 | M89-R91 PolarHBondContact O-N 3.48Å; R91-G93 PolarHBondContact O-N 3.32Å; R91-G93 VanDerWaalsContact O-N 3.12Å | ||
| 92 | E | 61.7 | Low | 65.2 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | trans | -80.6 | 84.4 | 179.3 | -65.4 | 179.7 | 177 | 0 | 0 | 110.1 | S90 N322 | S90-E92 VanDerWaalsContact C-N 3.34Å; S90-E92 PolarHBondContact O-N 2.95Å; E92-N322 PolarHBondContact OE2-ND2 3.24Å | ||
| 93 | G | 74.3 | Confident | 67.1 | Low | 11 Ų | 11 | 100.6 Ų | 100.6 | 11% | 0.113 | 49% | 0.487 | C | S | . | . | trans | -73.9 | 135 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | R91 | R91-G93 PolarHBondContact O-N 3.32Å; R91-G93 VanDerWaalsContact O-N 3.12Å | ||
| 94 | T | 81.5 | Confident | 68.9 | Low | 65 Ų | 65 | 95 Ų | 95 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | trans | -115.3 | 150.6 | 170.5 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | Y320 | T94-Y320 WeakPolarHBondContact OG1-CD1 3.44Š| ||
| 95 | W | 85.5 | Confident | 70.7 | Confident | 133 Ų | 133 | 95.7 Ų | 95.7 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | trans | -141.1 | 163 | -177.6 | 64.6 | -82.3 | 0 | 0 | 0 | 112.3 | F62 L79 Y320 | F62-W95 HydrophobicContact CE1-CE3 4.05Å; F62-W95 HydrophobicContact CE1-CZ3 4.46Å; F62-W95 AromaticContact CZ-CE3 3.85Å; F62-W95 HydrophobicContact CZ-CE3 3.85Å; F62-W95 HydrophobicContact CZ-CZ3 4.32Å; L79-W95 HydrophobicContact CD1-CB 3.66Å; L79-W95 HydrophobicContact CD1-CG 4.01Å; L79-W95 HydrophobicContact CD2-CB 3.57Å; L79-W95 HydrophobicContact CD2-CG 4.17Å; L79-W95 HydrophobicContact CG-CB 4.15Å; L79-W95 HydrophobicContact CG-CG 4.48Å; W95-Y320 WeakPolarHBondContact O-CE1 3.47Å; W95-Y320 PolarHBondContact O-OH 2.92Å | ||
| 96 | G | 85.8 | Confident | 72.7 | Confident | 9 Ų | 9 | 85.7 Ų | 85.7 | 9% | 0.093 | 42% | 0.422 | C | S | . | . | trans | -167.4 | -177 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L293 Y320 | G96-L293 PolarHBondContact O-N 3.48Å; G96-Y320 WeakPolarHBondContact CA-OH 3.45Å | ||
| 97 | V | 89.3 | Confident | 74.7 | Confident | 61 Ų | 61 | 81 Ų | 81 | 37% | 0.37 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.2 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | A58 F62 L290 T291 L293 V294 | A58-V97 HydrophobicContact CB-CG1 3.93Å; F62-V97 HydrophobicContact CE2-CG2 3.89Å; V97-L290 HydrophobicContact CG1-CB 3.85Å; V97-L290 HydrophobicContact CG1-CD2 3.96Å; V97-L290 HydrophobicContact CG1-CG 4.34Å; V97-T291 CarbonylContact C-O 3.56Å; V97-T291 WeakPolarHBondContact CA-O 3.43Å; V97-L293 CarbonylContact C-O 3.23Å; V97-L293 VanDerWaalsContact C-O 3.24Å; V97-V294 VanDerWaalsContact O-CG2 3.3Å; V97-V294 WeakPolarHBondContact O-CG2 3.5Å |
| 98 | S | 88.4 | Confident | 76.6 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 148.6 | 178.3 | 156.4 | 0 | 0 | 0 | 0 | 106.5 | A100 L290 T291 L293 | S98-A100 PolarHBondContact OG-N 3Å; S98-L290 CarbonylContact O-C 3.56Å; S98-L290 VanDerWaalsContact O-CA 3.3Å; S98-L290 WeakPolarHBondContact O-CA 3.34Å; S98-T291 VanDerWaalsContact CB-OG1 3.29Å; S98-T291 WeakPolarHBondContact CB-OG1 3.31Å; S98-T291 PolarHBondContact N-O 2.94Å; S98-T291 PolarHBondContact O-N 3.33Å; S98-T291 PolarHBondContact OG-OG1 3.35Å; S98-L293 WeakPolarHBondContact CA-O 3.31Å; S98-L293 WeakPolarHBondContact CB-O 3.32Å; S98-L293 PolarHBondContact N-O 3Å |
| 99 | K | 90.7 | Very high | 78.7 | Confident | 156 Ų | 156 | 64 Ų | 64 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 94.5 | 165.5 | -169.7 | 172.4 | -177.6 | 174.6 | 0 | 108.2 | T289 L290 | K99-T289 CarbonylContact C-O 3.42Å; K99-T289 WeakPolarHBondContact CA-O 3.37Å; K99-L290 HydrophobicContact CB-CD2 4.42Å; K99-L290 HydrophobicContact CG-CD2 4.42Å |
| 100 | A | 88.8 | Confident | 81.2 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 143.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S98 T104 D272 T289 T291 | S98-A100 PolarHBondContact OG-N 3Å; A100-T104 HydrophobicContact CB-CG2 4.44Å; A100-D272 VanDerWaalsContact CB-O 3.31Å; A100-D272 WeakPolarHBondContact CB-O 3.42Å; A100-T289 WeakPolarHBondContact CB-O 3.48Å; A100-T289 PolarHBondContact N-O 3.26Å; A100-T289 WeakPolarHBondContact O-CB 3.4Å; A100-T291 HydrophobicContact CB-CG2 4.45Å |
| 101 | R | 83.6 | Confident | 83.4 | Confident | 174 Ų | 174 | 52.6 Ų | 52.6 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 136 | 178.5 | -68.8 | -173.9 | -176.2 | -174.2 | 3.6 | 108.5 | P103 | R101-P103 CarbonylContact O-C 3.56Š|
| 102 | P | 81.8 | Confident | 85.3 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -53.4 | 139 | 164.2 | -25.1 | 35.9 | 0 | 0 | 0 | 109.1 | G283 T289 | P102-G283 WeakPolarHBondContact CB-O 3.4Å; P102-G283 WeakPolarHBondContact CG-O 3.45Å; P102-T289 HydrophobicContact CG-CG2 3.98Å |
| 103 | P | 82.3 | Confident | 86.8 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | S | Bend | cis | -74.2 | 131.2 | 0.6 | 31.7 | -39.5 | 0 | 0 | 0 | 115 | R101 E105 P108 W829 | R101-P103 CarbonylContact O-C 3.56Å; P103-E105 VanDerWaalsContact C-N 3.28Å; P103-E105 HydrophobicContact CB-CG 4.26Å; P103-E105 PolarHBondContact O-N 2.89Å; P103-P108 HydrophobicContact CB-CG 4.3Å; P103-P108 HydrophobicContact CG-CB 3.89Å; P103-P108 HydrophobicContact CG-CG 3.68Å; P103-P108 WeakPolarHBondContact O-CG 3.48Å; P103-W829 HydrophobicContact CB-CB 4.15Å; P103-W829 HydrophobicContact CB-CG 3.62Å; P103-W829 HydrophobicContact CG-CD2 4.4Å; P103-W829 HydrophobicContact CG-CG 3.95Å |
| 104 | T | 85.8 | Confident | 87.6 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | trans | -83 | 71.8 | 175.9 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | A100 H273 H281 G282 G283 E288 T289 | A100-T104 HydrophobicContact CB-CG2 4.44Å; T104-H273 HydrophobicContact CG2-CB 4.04Å; T104-H281 WeakPolarHBondContact O-CB 3.33Å; T104-H281 PolarHBondContact O-ND1 3.43Å; T104-G282 WeakPolarHBondContact O-CA 3.5Å; T104-G282 PolarHBondContact O-N 3.36Å; T104-G282 VanDerWaalsContact OG1-C 3.3Å; T104-G282 WeakPolarHBondContact OG1-CA 3.46Å; T104-G282 PolarHBondContact OG1-N 2.86Å; T104-G283 PolarHBondContact OG1-N 3.49Å; T104-G283 PolarHBondContact OG1-O 3.44Å; T104-G283 VanDerWaalsContact OG1-O 3.11Å; T104-E288 HydrophobicContact CG2-CB 4.09Å; T104-E288 VanDerWaalsContact CG2-O 3.24Å; T104-E288 WeakPolarHBondContact CG2-O 3.5Å; T104-T289 HydrophobicContact CG2-CG2 3.84Å | ||
| 105 | E | 87 | Confident | 88.1 | Confident | 65 Ų | 65 | 38.9 Ų | 38.9 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -129.3 | 157.8 | 179 | -62.6 | -70.7 | 160 | 0 | 0 | 109.2 | P103 R107 P108 G109 H273 H281 G282 | P103-E105 VanDerWaalsContact C-N 3.28Å; P103-E105 HydrophobicContact CB-CG 4.26Å; P103-E105 PolarHBondContact O-N 2.89Å; E105-R107 PolarHBondContact O-N 2.95Å; E105-P108 HydrophobicContact CB-CG 3.62Å; E105-P108 WeakPolarHBondContact O-CD 3.27Å; E105-P108 VanDerWaalsContact O-CG 3.26Å; E105-P108 WeakPolarHBondContact O-CG 3.19Å; E105-G109 PolarHBondContact O-N 3.42Å; E105-H273 VanDerWaalsContact C-CD2 3.4Å; E105-H281 IonicContact OE1-ND1 2.71Å; E105-H281 IonicContact OE2-CE1 3.64Å; E105-H281 PolarHBondContact OE2-CE1 3.14Å; E105-H281 IonicContact OE2-ND1 2.63Å; E105-H281 PolarHBondContact OE2-ND1 2.87Å; E105-G282 WeakPolarHBondContact OE1-CA 3.24Å; E105-G282 PolarHBondContact OE1-N 2.63Å |
| 106 | S | 88.5 | Confident | 88.4 | Confident | 24 Ų | 24 | 33 Ų | 33 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | -170.5 | -37.2 | 0 | 0 | 0 | 0 | 113.5 | D54 G109 H110 D272 H273 | D54-S106 PolarHBondContact OD1-OG 2.9Å; D54-S106 VanDerWaalsContact OD2-CB 3.25Å; D54-S106 WeakPolarHBondContact OD2-CB 3.43Å; D54-S106 PolarHBondContact OD2-OG 3.23Å; D54-S106 VanDerWaalsContact OD2-OG 3.12Å; S106-G109 PolarHBondContact O-N 3.08Å; S106-H110 WeakPolarHBondContact O-CB 3.37Å; S106-H110 PolarHBondContact O-CD2 2.81Å; S106-H110 PolarHBondContact O-N 2.89Å; S106-D272 WeakPolarHBondContact CA-OD2 3.49Å; S106-H273 PolarHBondContact N-NE2 2.94Å |
| 107 | R | 86.3 | Confident | 88.6 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 12% | 0.121 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.1 | -62.4 | 177.5 | 162.7 | 169.3 | 180 | 170.5 | -2.7 | 113 | E105 G109 H110 V111 E119 W128 N131 M156 | E105-R107 PolarHBondContact O-N 2.95Å; R107-G109 VanDerWaalsContact C-N 3.29Å; R107-G109 PolarHBondContact O-N 2.83Å; R107-H110 PolarHBondContact O-N 2.99Å; R107-V111 WeakPolarHBondContact O-CG2 3.26Å; R107-V111 PolarHBondContact O-N 3.26Å; R107-E119 VanDerWaalsContact CG-OE2 3.28Å; R107-E119 WeakPolarHBondContact CG-OE2 3.47Å; R107-E119 IonicContact CZ-OE1 3.43Å; R107-E119 IonicContact CZ-OE2 3.7Å; R107-E119 IonicContact NE-OE1 2.75Å; R107-E119 IonicContact NE-OE2 2.67Å; R107-E119 PolarHBondContact NE-OE2 3.13Å; R107-E119 IonicContact NH2-OE1 2.8Å; R107-E119 PolarHBondContact NH2-OE1 2.98Å; R107-E119 IonicContact NH2-OE2 3.98Å; R107-W128 PolarHBondContact NH1-O 3.49Å; R107-N131 PolarHBondContact NH2-OD1 3.29Å; R107-M156 HydrophobicContact CB-CE 4.16Å; R107-M156 HydrophobicContact CG-CE 3.41Å; R107-M156 VanDerWaalsContact CG-CE 3.41Å; R107-M156 HydrophobicContact CG-SD 4.1Å |
| 108 | P | 87 | Confident | 88.5 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 7% | 0.071 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | -178 | 22.6 | -32.8 | 0 | 0 | 0 | 112.8 | P103 E105 V111 A112 E119 | P103-P108 HydrophobicContact CB-CG 4.3Å; P103-P108 HydrophobicContact CG-CB 3.89Å; P103-P108 HydrophobicContact CG-CG 3.68Å; P103-P108 WeakPolarHBondContact O-CG 3.48Å; E105-P108 HydrophobicContact CB-CG 3.62Å; E105-P108 WeakPolarHBondContact O-CD 3.27Å; E105-P108 VanDerWaalsContact O-CG 3.26Å; E105-P108 WeakPolarHBondContact O-CG 3.19Å; P108-V111 PolarHBondContact O-N 2.94Å; P108-A112 WeakPolarHBondContact O-CB 3.39Å; P108-A112 PolarHBondContact O-N 3.08Å; P108-E119 HydrophobicContact CB-CB 3.68Å; P108-E119 HydrophobicContact CB-CG 4.48Å |
| 109 | G | 90.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E105 S106 R107 A112 I113 | E105-G109 PolarHBondContact O-N 3.42Å; S106-G109 PolarHBondContact O-N 3.08Å; R107-G109 VanDerWaalsContact C-N 3.29Å; R107-G109 PolarHBondContact O-N 2.83Å; G109-A112 PolarHBondContact O-N 3.3Å; G109-I113 WeakPolarHBondContact O-CG1 3.42Å; G109-I113 PolarHBondContact O-N 3.25Å |
| 110 | H | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -39 | 176.5 | -84.5 | -74.2 | 0 | 0 | 0 | 113.9 | S106 R107 A112 I113 I114 V153 F157 F221 Y223 D272 | S106-H110 WeakPolarHBondContact O-CB 3.37Å; S106-H110 PolarHBondContact O-CD2 2.81Å; S106-H110 PolarHBondContact O-N 2.89Å; R107-H110 PolarHBondContact O-N 2.99Å; H110-A112 VanDerWaalsContact C-N 3.28Å; H110-A112 PolarHBondContact O-N 2.95Å; H110-I113 PolarHBondContact O-N 3.16Å; H110-I114 HydrophobicContact CB-CD1 4.23Å; H110-I114 VanDerWaalsContact O-CB 3.26Å; H110-I114 WeakPolarHBondContact O-CB 3.46Å; H110-I114 WeakPolarHBondContact O-CD1 3.33Å; H110-I114 WeakPolarHBondContact O-CG1 3.4Å; H110-I114 PolarHBondContact O-N 3.38Å; H110-V153 HydrophobicContact CB-CG1 3.94Å; H110-F157 HydrophobicContact CB-CE2 4.11Å; H110-F157 HydrophobicContact CB-CZ 4.32Å; H110-F221 AromaticContact CE1-CZ 3.85Å; H110-F221 AromaticContact ND1-CZ 3.79Å; H110-Y223 AromaticContact CD2-CE2 3.99Å; H110-Y223 AromaticContact CE1-CD2 3.52Å; H110-Y223 AromaticContact CE1-CE2 3.95Å; H110-Y223 AromaticContact NE2-CD2 3.26Å; H110-Y223 VanDerWaalsContact NE2-CD2 3.26Å; H110-Y223 WeakPolarHBondContact NE2-CD2 3.39Å; H110-Y223 AromaticContact NE2-CE2 3.2Å; H110-Y223 WeakPolarHBondContact NE2-CE2 3.47Å; H110-D272 IonicContact CD2-OD2 3.53Å; H110-D272 IonicContact NE2-OD2 2.72Å |
| 111 | V | 90 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 173.4 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | R107 P108 S115 F117 E119 F135 M156 F157 | R107-V111 WeakPolarHBondContact O-CG2 3.26Å; R107-V111 PolarHBondContact O-N 3.26Å; P108-V111 PolarHBondContact O-N 2.94Å; V111-S115 WeakPolarHBondContact O-CA 3.47Å; V111-S115 VanDerWaalsContact O-CB 3.23Å; V111-S115 WeakPolarHBondContact O-CB 3.37Å; V111-S115 PolarHBondContact O-N 3.42Å; V111-S115 PolarHBondContact O-OG 3.49Å; V111-F117 HydrophobicContact CG1-CD2 4.47Å; V111-F117 HydrophobicContact CG1-CE1 4.5Å; V111-F117 HydrophobicContact CG1-CE2 3.86Å; V111-F117 HydrophobicContact CG1-CZ 3.87Å; V111-E119 WeakPolarHBondContact CG2-OE2 3.42Å; V111-F135 HydrophobicContact CG1-CE1 4.46Å; V111-F135 HydrophobicContact CG1-CE2 4.46Å; V111-F135 HydrophobicContact CG1-CZ 4.02Å; V111-F135 HydrophobicContact CG2-CZ 3.98Å; V111-M156 HydrophobicContact CG2-SD 3.52Å; V111-M156 VanDerWaalsContact CG2-SD 3.52Å; V111-F157 HydrophobicContact CG2-CZ 4.16Å |
| 112 | A | 90.9 | Very high | 87.1 | Confident | 40 Ų | 40 | 19.8 Ų | 19.8 | 33% | 0.331 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -66 | -45.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P108 G109 H110 I114 G116 F117 | P108-A112 WeakPolarHBondContact O-CB 3.39Å; P108-A112 PolarHBondContact O-N 3.08Å; G109-A112 PolarHBondContact O-N 3.3Å; H110-A112 VanDerWaalsContact C-N 3.28Å; H110-A112 PolarHBondContact O-N 2.95Å; A112-I114 PolarHBondContact O-N 3.35Å; A112-G116 WeakPolarHBondContact O-CA 3.21Å; A112-G116 PolarHBondContact O-N 3.37Å; A112-F117 WeakPolarHBondContact CA-O 3.41Å |
| 113 | I | 92.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 18 Ų | 18 | 6% | 0.062 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 179.2 | -71.1 | 177.3 | 0 | 0 | 0 | 111.6 | L50 V52 G109 H110 T270 D272 I296 A297 M300 | L50-I113 HydrophobicContact CD2-CG2 4.41Å; V52-I113 HydrophobicContact CG1-CD1 4.12Å; G109-I113 WeakPolarHBondContact O-CG1 3.42Å; G109-I113 PolarHBondContact O-N 3.25Å; H110-I113 PolarHBondContact O-N 3.16Å; I113-T270 HydrophobicContact CD1-CG2 3.93Å; I113-D272 HydrophobicContact CD1-CB 3.74Å; I113-I296 HydrophobicContact CD1-CD1 4.43Å; I113-I296 HydrophobicContact CG1-CD1 4.14Å; I113-I296 HydrophobicContact CG2-CB 4.26Å; I113-I296 HydrophobicContact CG2-CD1 4.39Å; I113-I296 HydrophobicContact CG2-CG2 4.13Å; I113-A297 WeakPolarHBondContact O-CA 3.38Å; I113-A297 VanDerWaalsContact O-CB 3.31Å; I113-A297 WeakPolarHBondContact O-CB 3.47Å; I113-A297 PolarHBondContact O-N 2.89Å; I113-M300 HydrophobicContact CG2-CE 4.37Å; I113-M300 WeakPolarHBondContact O-CE 3.41Å |
| 114 | I | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -90.4 | -34.3 | -167.5 | -65.9 | 164.7 | 0 | 0 | 0 | 111.9 | H110 A112 F138 L139 F157 F221 | H110-I114 HydrophobicContact CB-CD1 4.23Å; H110-I114 VanDerWaalsContact O-CB 3.26Å; H110-I114 WeakPolarHBondContact O-CB 3.46Å; H110-I114 WeakPolarHBondContact O-CD1 3.33Å; H110-I114 WeakPolarHBondContact O-CG1 3.4Å; H110-I114 PolarHBondContact O-N 3.38Å; A112-I114 PolarHBondContact O-N 3.35Å; I114-F138 VanDerWaalsContact O-CB 3.27Å; I114-F138 WeakPolarHBondContact O-CB 3.22Å; I114-F138 PolarHBondContact O-N 2.98Å; I114-L139 HydrophobicContact CG2-CD1 4.04Å; I114-L139 HydrophobicContact CG2-CG 3.85Å; I114-F157 HydrophobicContact CB-CD1 4.32Å; I114-F157 HydrophobicContact CB-CE1 3.82Å; I114-F157 HydrophobicContact CB-CZ 4.09Å; I114-F157 HydrophobicContact CD1-CD1 4.23Å; I114-F157 HydrophobicContact CD1-CD2 3.7Å; I114-F157 HydrophobicContact CD1-CE1 3.94Å; I114-F157 HydrophobicContact CD1-CE2 3.4Å; I114-F157 HydrophobicContact CD1-CG 4.13Å; I114-F157 HydrophobicContact CD1-CZ 3.53Å; I114-F157 HydrophobicContact CG1-CZ 4.39Å; I114-F157 HydrophobicContact CG2-CD1 3.6Å; I114-F157 HydrophobicContact CG2-CE1 3.57Å; I114-F157 HydrophobicContact CG2-CG 4.3Å; I114-F157 HydrophobicContact CG2-CZ 4.26Å; I114-F221 HydrophobicContact CD1-CD2 4.44Å; I114-F221 HydrophobicContact CD1-CE2 3.43Å; I114-F221 VanDerWaalsContact CD1-CE2 3.43Å; I114-F221 HydrophobicContact CD1-CZ 3.94Å; I114-F221 HydrophobicContact CG1-CE2 3.67Å; I114-F221 HydrophobicContact CG1-CZ 4.37Å |
| 115 | S | 91.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -112.4 | -16.4 | -173 | -38.2 | 0 | 0 | 0 | 0 | 112.5 | V111 F135 S312 | V111-S115 WeakPolarHBondContact O-CA 3.47Å; V111-S115 VanDerWaalsContact O-CB 3.23Å; V111-S115 WeakPolarHBondContact O-CB 3.37Å; V111-S115 PolarHBondContact O-N 3.42Å; V111-S115 PolarHBondContact O-OG 3.49Å; S115-F135 WeakPolarHBondContact OG-CE2 3.19Å; S115-S312 WeakPolarHBondContact O-CA 3.43Å; S115-S312 WeakPolarHBondContact O-CB 3.4Å |
| 116 | G | 92 | Very high | 83.7 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 9% | 0.093 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 77.4 | 22.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A112 V313 G314 | A112-G116 WeakPolarHBondContact O-CA 3.21Å; A112-G116 PolarHBondContact O-N 3.37Å; G116-V313 WeakPolarHBondContact O-CG2 3.36Å; G116-V313 PolarHBondContact O-N 3.05Å; G116-G314 PolarHBondContact O-N 2.93Å |
| 117 | F | 90.8 | Very high | 82.2 | Confident | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -141.9 | 153.9 | 172.7 | 69 | -89.6 | 0 | 0 | 0 | 111 | L30 V111 A112 F135 N311 V313 | L30-F117 HydrophobicContact CD1-CE2 4.28Å; L30-F117 HydrophobicContact CD1-CZ 4.28Å; L30-F117 HydrophobicContact CD2-CD1 4.32Å; L30-F117 HydrophobicContact CD2-CD2 3.88Å; L30-F117 HydrophobicContact CD2-CE1 3.86Å; L30-F117 HydrophobicContact CD2-CE2 3.46Å; L30-F117 VanDerWaalsContact CD2-CE2 3.46Å; L30-F117 HydrophobicContact CD2-CG 4.35Å; L30-F117 HydrophobicContact CD2-CZ 3.44Å; L30-F117 VanDerWaalsContact CD2-CZ 3.44Å; L30-F117 HydrophobicContact CG-CE2 4.26Å; L30-F117 HydrophobicContact CG-CZ 4.44Å; V111-F117 HydrophobicContact CG1-CD2 4.47Å; V111-F117 HydrophobicContact CG1-CE1 4.5Å; V111-F117 HydrophobicContact CG1-CE2 3.86Å; V111-F117 HydrophobicContact CG1-CZ 3.87Å; A112-F117 WeakPolarHBondContact CA-O 3.41Å; F117-F135 HydrophobicContact CE1-CB 4.09Å; F117-F135 AromaticContact CE1-CD2 3.85Å; F117-F135 HydrophobicContact CE1-CD2 3.85Å; F117-F135 HydrophobicContact CE1-CE2 4.46Å; F117-F135 AromaticContact CE1-CG 3.93Å; F117-F135 HydrophobicContact CE1-CG 3.93Å; F117-F135 HydrophobicContact CZ-CB 3.89Å; F117-F135 AromaticContact CZ-CD1 3.75Å; F117-F135 HydrophobicContact CZ-CD1 3.75Å; F117-F135 AromaticContact CZ-CD2 3.77Å; F117-F135 HydrophobicContact CZ-CD2 3.77Å; F117-F135 HydrophobicContact CZ-CE1 4.16Å; F117-F135 HydrophobicContact CZ-CE2 4.23Å; F117-F135 AromaticContact CZ-CG 3.52Å; F117-F135 HydrophobicContact CZ-CG 3.52Å; F117-F135 HydrophobicContact CZ-CZ 4.39Å; F117-N311 HydrophobicContact CD1-CB 3.9Å; F117-N311 HydrophobicContact CE1-CB 4.03Å; F117-V313 HydrophobicContact CB-CG2 3.97Å |
| 118 | P | 86.6 | Confident | 80.8 | Confident | 54 Ų | 54 | 34.6 Ų | 34.6 | 35% | 0.351 | 18% | 0.176 | S | C | . | . | trans | -65.9 | 151.8 | 177.3 | -17.2 | 31.1 | 0 | 0 | 0 | 112.1 | D120 | P118-D120 PolarHBondContact O-N 2.95Š| ||
| 119 | E | 84.8 | Confident | 79.3 | Confident | 21 Ų | 21 | 43 Ų | 43 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | trans | -51.7 | 138.8 | 177.1 | 178.9 | 71.4 | -125.4 | 0 | 0 | 112.8 | R107 P108 V111 V121 | R107-E119 VanDerWaalsContact CG-OE2 3.28Å; R107-E119 WeakPolarHBondContact CG-OE2 3.47Å; R107-E119 IonicContact CZ-OE1 3.43Å; R107-E119 IonicContact CZ-OE2 3.7Å; R107-E119 IonicContact NE-OE1 2.75Å; R107-E119 IonicContact NE-OE2 2.67Å; R107-E119 PolarHBondContact NE-OE2 3.13Å; R107-E119 IonicContact NH2-OE1 2.8Å; R107-E119 PolarHBondContact NH2-OE1 2.98Å; R107-E119 IonicContact NH2-OE2 3.98Å; P108-E119 HydrophobicContact CB-CB 3.68Å; P108-E119 HydrophobicContact CB-CG 4.48Å; V111-E119 WeakPolarHBondContact CG2-OE2 3.42Å; E119-V121 PolarHBondContact O-N 2.95Å | ||
| 120 | D | 82.9 | Confident | 77.6 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | trans | -79.5 | 108.5 | 175.3 | 179.5 | 8 | 0 | 0 | 0 | 110.2 | S28 P29 L30 P118 N122 A123 | S28-D120 WeakPolarHBondContact CB-OD2 3.47Å; S28-D120 PolarHBondContact OG-OD2 3.29Å; P29-D120 VanDerWaalsContact CD-OD1 3.3Å; P29-D120 WeakPolarHBondContact CD-OD1 3.28Å; L30-D120 HydrophobicContact CD1-CB 4.29Å; P118-D120 PolarHBondContact O-N 2.95Å; D120-N122 PolarHBondContact O-N 2.84Å; D120-N122 VanDerWaalsContact O-N 3.08Å; D120-N122 WeakPolarHBondContact OD1-CB 3.3Å; D120-N122 PolarHBondContact OD1-N 2.82Å; D120-A123 HydrophobicContact CB-CB 4.23Å; D120-A123 WeakPolarHBondContact O-CB 3.47Å; D120-A123 PolarHBondContact O-N 2.89Å | ||
| 121 | V | 76.9 | Confident | 75.9 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.1 | -28.3 | 176.6 | 179 | 0 | 0 | 0 | 0 | 112 | Y26 E119 A123 V124 W829 | Y26-V121 HydrophobicContact CD1-CB 3.89Å; Y26-V121 HydrophobicContact CD1-CG1 3.37Å; Y26-V121 HydrophobicContact CE1-CB 4.46Å; Y26-V121 HydrophobicContact CE1-CG1 3.73Å; Y26-V121 HydrophobicContact CG-CG1 4.07Å; E119-V121 PolarHBondContact O-N 2.95Å; V121-A123 VanDerWaalsContact C-N 3.28Å; V121-A123 PolarHBondContact O-N 3.14Å; V121-V124 WeakPolarHBondContact O-CB 3.41Å; V121-V124 PolarHBondContact O-N 2.97Å; V121-W829 HydrophobicContact CB-CH2 4.16Å; V121-W829 HydrophobicContact CG1-CH2 3.8Å; V121-W829 HydrophobicContact CG1-CZ3 3.88Å; V121-W829 HydrophobicContact CG2-CH2 3.91Å; V121-W829 HydrophobicContact CG2-CZ3 4.31Å |
| 122 | N | 77.6 | Confident | 74.3 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.5 | -26.7 | 175.7 | -168 | 52 | 0 | 0 | 0 | 112.8 | Y26 D120 V124 K125 | Y26-N122 WeakPolarHBondContact O-CB 3Å; Y26-N122 PolarHBondContact O-OD1 3.23Å; D120-N122 PolarHBondContact O-N 2.84Å; D120-N122 VanDerWaalsContact O-N 3.08Å; D120-N122 WeakPolarHBondContact OD1-CB 3.3Å; D120-N122 PolarHBondContact OD1-N 2.82Å; N122-V124 PolarHBondContact O-N 3.21Å; N122-K125 WeakPolarHBondContact O-CB 3.05Å; N122-K125 PolarHBondContact O-N 3.18Å; N122-K125 WeakPolarHBondContact OD1-CD 3.17Å; N122-K125 PolarHBondContact OD1-NZ 3.43Å |
| 123 | A | 73.1 | Confident | 73.2 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D120 V121 K125 R126 S132 V133 | D120-A123 HydrophobicContact CB-CB 4.23Å; D120-A123 WeakPolarHBondContact O-CB 3.47Å; D120-A123 PolarHBondContact O-N 2.89Å; V121-A123 VanDerWaalsContact C-N 3.28Å; V121-A123 PolarHBondContact O-N 3.14Å; A123-K125 VanDerWaalsContact C-N 3.31Å; A123-K125 PolarHBondContact O-N 3.46Å; A123-R126 PolarHBondContact O-N 3.29Å; A123-S132 PolarHBondContact O-OG 2.84Å; A123-V133 HydrophobicContact CB-CG2 4.04Å |
| 124 | V | 65.5 | Low | 72.3 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | V121 N122 R126 G127 W128 W829 | V121-V124 WeakPolarHBondContact O-CB 3.41Å; V121-V124 PolarHBondContact O-N 2.97Å; N122-V124 PolarHBondContact O-N 3.21Å; V124-R126 PolarHBondContact O-N 3.47Å; V124-R126 VanDerWaalsContact O-N 3.1Å; V124-G127 PolarHBondContact O-N 2.93Å; V124-W128 HydrophobicContact CG1-CD2 4.14Å; V124-W128 HydrophobicContact CG1-CH2 4.42Å; V124-W128 HydrophobicContact CG1-CZ2 3.55Å; V124-W128 VanDerWaalsContact CG1-NE1 3.34Å; V124-W829 HydrophobicContact CB-CH2 4.26Å; V124-W829 HydrophobicContact CG1-CH2 4.49Å; V124-W829 HydrophobicContact CG2-CH2 3.62Å; V124-W829 HydrophobicContact CG2-CZ2 3.8Å |
| 125 | K | 64.3 | Low | 71.8 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.1 | 177.2 | -64.9 | -178.1 | -173.7 | 160.7 | 0 | 113.1 | F22 Y26 N122 A123 | F22-K125 PolarHBondContact O-NZ 3.42Å; Y26-K125 PolarHBondContact O-NZ 2.76Å; N122-K125 WeakPolarHBondContact O-CB 3.05Å; N122-K125 PolarHBondContact O-N 3.18Å; N122-K125 WeakPolarHBondContact OD1-CD 3.17Å; N122-K125 PolarHBondContact OD1-NZ 3.43Å; A123-K125 VanDerWaalsContact C-N 3.31Å; A123-K125 PolarHBondContact O-N 3.46Å |
| 126 | R | 62.9 | Low | 71.6 | Confident | 172 Ų | 172 | 56.1 Ų | 56.1 | 65% | 0.649 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -7.8 | -176.4 | -65.7 | -179.9 | 179.3 | -173 | -0.3 | 113.5 | A123 V124 S132 | A123-R126 PolarHBondContact O-N 3.29Å; V124-R126 PolarHBondContact O-N 3.47Å; V124-R126 VanDerWaalsContact O-N 3.1Å; R126-S132 VanDerWaalsContact CB-OG 3.29Å; R126-S132 WeakPolarHBondContact CB-OG 3.46Å |
| 127 | G | 57.2 | Low | 71.5 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | trans | 145.9 | 140.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V124 | V124-G127 PolarHBondContact O-N 2.93Š| ||
| 128 | W | 57.4 | Low | 71.4 | Confident | 163 Ų | 163 | 55.3 Ų | 55.3 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -81.4 | -31.5 | 175.2 | -80.7 | 89.8 | 0 | 0 | 0 | 113.4 | R107 V124 W829 | R107-W128 PolarHBondContact NH1-O 3.49Å; V124-W128 HydrophobicContact CG1-CD2 4.14Å; V124-W128 HydrophobicContact CG1-CH2 4.42Å; V124-W128 HydrophobicContact CG1-CZ2 3.55Å; V124-W128 VanDerWaalsContact CG1-NE1 3.34Å; W128-W829 HydrophobicContact CH2-CZ2 4.39Å |
| 129 | Q | 55.1 | Low | 71.7 | Confident | 187 Ų | 187 | 52.8 Ų | 52.8 | 87% | 0.874 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -87 | -20.5 | -169.5 | -67.4 | -171.7 | -14 | 0 | 0 | 114.9 | ||
| 130 | E | 54.9 | Low | 71.8 | Confident | 120 Ų | 120 | 52.2 Ų | 52.2 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -131.8 | 145.8 | 175.4 | -76.5 | -162.1 | 126 | 0 | 0 | 110.9 | S132 K159 | E130-S132 PolarHBondContact O-N 3.41Å; E130-K159 IonicContact OE1-NZ 3.84Å; E130-K159 PolarHBondContact OE1-NZ 3.27Å; E130-K159 IonicContact OE2-NZ 2.75Å |
| 131 | N | 55.1 | Low | 72.1 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | trans | -67.8 | 104 | 168.3 | -92.2 | 7.6 | 0 | 0 | 0 | 110 | R107 V133 F135 M156 | R107-N131 PolarHBondContact NH2-OD1 3.29Å; N131-V133 VanDerWaalsContact C-N 3.27Å; N131-F135 WeakPolarHBondContact ND2-CE1 3.4Å; N131-F135 VanDerWaalsContact ND2-CZ 3.27Å; N131-F135 WeakPolarHBondContact ND2-CZ 3.39Å; N131-M156 HydrophobicContact CB-CG 4.44Å; N131-M156 VanDerWaalsContact CG-CG 3.4Å; N131-M156 WeakPolarHBondContact ND2-CG 3.37Å; N131-M156 WeakPolarHBondContact OD1-CE 3.27Å | ||
| 132 | S | 56.6 | Low | 72.8 | Confident | 39 Ų | 39 | 53 Ų | 53 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -75.5 | -16.1 | 175.9 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | A123 R126 E130 | A123-S132 PolarHBondContact O-OG 2.84Å; R126-S132 VanDerWaalsContact CB-OG 3.29Å; R126-S132 WeakPolarHBondContact CB-OG 3.46Å; E130-S132 PolarHBondContact O-N 3.41Å |
| 133 | V | 67.7 | Low | 73.5 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -120.6 | 116.6 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 108 | L30 A123 N131 F135 | L30-V133 HydrophobicContact CD1-CB 4.43Å; L30-V133 HydrophobicContact CD1-CG1 3.64Å; A123-V133 HydrophobicContact CB-CG2 4.04Å; N131-V133 VanDerWaalsContact C-N 3.27Å; V133-F135 WeakPolarHBondContact O-CD1 3.17Å |
| 134 | M | 73.7 | Confident | 74.5 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 50% | 0.498 | 27% | 0.272 | S | S | . | . | trans | -76.6 | 130.6 | 174.1 | -68.3 | -156.5 | -170.1 | 0 | 0 | 109.9 | H32 P162 | H32-M134 PolarHBondContact CE1-O 3Å; H32-M134 VanDerWaalsContact CE1-O 3.31Å; M134-P162 VanDerWaalsContact SD-CD 3.58Å; M134-P162 HydrophobicContact SD-CG 4.15Å | ||
| 135 | F | 82.4 | Confident | 75.9 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | trans | -132.3 | 159.9 | 173 | 53.2 | -102.3 | 0 | 0 | 0 | 109.7 | L30 V111 S115 F117 N131 V133 F157 | L30-F135 HydrophobicContact CD1-CB 4.13Å; L30-F135 HydrophobicContact CD1-CD1 4.22Å; L30-F135 HydrophobicContact CD2-CB 4.28Å; V111-F135 HydrophobicContact CG1-CE1 4.46Å; V111-F135 HydrophobicContact CG1-CE2 4.46Å; V111-F135 HydrophobicContact CG1-CZ 4.02Å; V111-F135 HydrophobicContact CG2-CZ 3.98Å; S115-F135 WeakPolarHBondContact OG-CE2 3.19Å; F117-F135 HydrophobicContact CE1-CB 4.09Å; F117-F135 AromaticContact CE1-CD2 3.85Å; F117-F135 HydrophobicContact CE1-CD2 3.85Å; F117-F135 HydrophobicContact CE1-CE2 4.46Å; F117-F135 AromaticContact CE1-CG 3.93Å; F117-F135 HydrophobicContact CE1-CG 3.93Å; F117-F135 HydrophobicContact CZ-CB 3.89Å; F117-F135 AromaticContact CZ-CD1 3.75Å; F117-F135 HydrophobicContact CZ-CD1 3.75Å; F117-F135 AromaticContact CZ-CD2 3.77Å; F117-F135 HydrophobicContact CZ-CD2 3.77Å; F117-F135 HydrophobicContact CZ-CE1 4.16Å; F117-F135 HydrophobicContact CZ-CE2 4.23Å; F117-F135 AromaticContact CZ-CG 3.52Å; F117-F135 HydrophobicContact CZ-CG 3.52Å; F117-F135 HydrophobicContact CZ-CZ 4.39Å; N131-F135 WeakPolarHBondContact ND2-CE1 3.4Å; N131-F135 VanDerWaalsContact ND2-CZ 3.27Å; N131-F135 WeakPolarHBondContact ND2-CZ 3.39Å; V133-F135 WeakPolarHBondContact O-CD1 3.17Å; F135-F157 AromaticContact CE2-CE1 3.96Å; F135-F157 HydrophobicContact CE2-CE1 3.96Å; F135-F157 HydrophobicContact CZ-CE1 4.21Å | ||
| 136 | D | 87.2 | Confident | 77.5 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | trans | -80.7 | 146 | 175.2 | -175.6 | 37.3 | 0 | 0 | 0 | 111.1 | N140 Q141 I161 P309 V310 | D136-N140 WeakPolarHBondContact OD1-CB 3.46Å; D136-Q141 PolarHBondContact OD1-NE2 2.97Å; D136-Q141 PolarHBondContact OD2-NE2 2.91Å; D136-I161 HydrophobicContact CB-CD1 4.22Å; D136-P309 WeakPolarHBondContact OD2-CA 3.45Å; D136-V310 HydrophobicContact CB-CG2 3.65Å; D136-V310 PolarHBondContact OD2-N 3.42Å | ||
| 137 | S | 89 | Confident | 79 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -137.3 | 165.8 | 179.1 | 73.4 | 0 | 0 | 0 | 0 | 112 | L139 N140 Q141 | S137-L139 PolarHBondContact O-N 2.94Å; S137-L139 PolarHBondContact OG-N 3.34Å; S137-N140 WeakPolarHBondContact CB-OD1 3.28Å; S137-N140 PolarHBondContact N-OD1 3.01Å; S137-N140 WeakPolarHBondContact O-CB 3.32Å; S137-N140 PolarHBondContact O-N 3.14Å; S137-N140 PolarHBondContact OG-N 2.9Å; S137-N140 PolarHBondContact OG-OD1 3.04Å; S137-Q141 PolarHBondContact O-N 3.43Å | ||
| 138 | F | 89.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.9 | -35.2 | 175.1 | 162.5 | -107.5 | 0 | 0 | 0 | 112.1 | L48 I114 N140 Q141 S142 V219 M300 S301 I304 A306 P309 | L48-F138 HydrophobicContact CD1-CZ 4.26Å; L48-F138 HydrophobicContact CD2-CE1 4.27Å; L48-F138 HydrophobicContact CD2-CZ 4.4Å; I114-F138 VanDerWaalsContact O-CB 3.27Å; I114-F138 WeakPolarHBondContact O-CB 3.22Å; I114-F138 PolarHBondContact O-N 2.98Å; F138-N140 VanDerWaalsContact C-N 3.31Å; F138-N140 PolarHBondContact O-N 2.82Å; F138-Q141 CarbonylContact O-C 3.6Å; F138-Q141 PolarHBondContact O-N 3.11Å; F138-Q141 VanDerWaalsContact O-N 3.14Å; F138-S142 PolarHBondContact O-N 3.28Å; F138-S142 VanDerWaalsContact O-N 3.09Å; F138-V219 HydrophobicContact CE1-CB 4.4Å; F138-V219 HydrophobicContact CE1-CG1 3.93Å; F138-V219 HydrophobicContact CE1-CG2 3.53Å; F138-V219 HydrophobicContact CE2-CG2 4.49Å; F138-V219 HydrophobicContact CZ-CG2 3.48Å; F138-V219 VanDerWaalsContact CZ-CG2 3.48Å; F138-M300 HydrophobicContact CB-CE 4.36Å; F138-M300 HydrophobicContact CD1-CB 4.09Å; F138-M300 HydrophobicContact CD1-CE 3.71Å; F138-M300 HydrophobicContact CD1-SD 4.06Å; F138-M300 HydrophobicContact CD2-CB 3.96Å; F138-M300 HydrophobicContact CE1-CB 3.89Å; F138-M300 HydrophobicContact CE1-CE 4.24Å; F138-M300 HydrophobicContact CE1-CG 4.49Å; F138-M300 HydrophobicContact CE1-SD 3.98Å; F138-M300 VanDerWaalsContact CE2-C 3.44Å; F138-M300 HydrophobicContact CE2-CB 3.75Å; F138-M300 WeakPolarHBondContact CE2-O 3.44Å; F138-M300 HydrophobicContact CG-CB 4.12Å; F138-M300 HydrophobicContact CG-CE 4.13Å; F138-M300 HydrophobicContact CZ-CB 3.7Å; F138-S301 WeakPolarHBondContact CD2-OG 3.29Å; F138-I304 HydrophobicContact CE2-CD1 3.49Å; F138-I304 VanDerWaalsContact CE2-CD1 3.49Å; F138-I304 HydrophobicContact CE2-CG1 3.86Å; F138-I304 HydrophobicContact CZ-CD1 3.4Å; F138-I304 HydrophobicContact CZ-CG1 4.12Å; F138-A306 HydrophobicContact CD2-CB 4.35Å; F138-A306 HydrophobicContact CE2-CB 4.14Å; F138-P309 HydrophobicContact CB-CG 4.22Å |
| 139 | L | 91.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -34.3 | 177.5 | -54.2 | -176 | 0 | 0 | 0 | 111.7 | I114 S137 Q141 S142 T145 F147 F157 H168 V219 F221 | I114-L139 HydrophobicContact CG2-CD1 4.04Å; I114-L139 HydrophobicContact CG2-CG 3.85Å; S137-L139 PolarHBondContact O-N 2.94Å; S137-L139 PolarHBondContact OG-N 3.34Å; L139-Q141 VanDerWaalsContact C-N 3.3Å; L139-Q141 PolarHBondContact O-N 2.82Å; L139-S142 WeakPolarHBondContact O-CB 3.3Å; L139-S142 PolarHBondContact O-N 3.42Å; L139-S142 PolarHBondContact O-OG 3.04Å; L139-T145 HydrophobicContact CD1-CG2 4.39Å; L139-T145 HydrophobicContact CD2-CG2 3.94Å; L139-F147 HydrophobicContact CD1-CD1 4.24Å; L139-F147 HydrophobicContact CD1-CE1 4.45Å; L139-F157 HydrophobicContact CD1-CB 3.95Å; L139-F157 HydrophobicContact CD1-CG 4.4Å; L139-H168 PolarHBondContact O-NE2 3.43Å; L139-V219 HydrophobicContact CD2-CG1 3.88Å; L139-F221 HydrophobicContact CD1-CD2 4.22Å; L139-F221 HydrophobicContact CD2-CD2 4.27Å |
| 140 | N | 87.9 | Confident | 84.2 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -33.1 | 174.1 | -59.2 | 112.5 | 0 | 0 | 0 | 112 | D136 S137 F138 S142 I161 H168 | D136-N140 WeakPolarHBondContact OD1-CB 3.46Å; S137-N140 WeakPolarHBondContact CB-OD1 3.28Å; S137-N140 PolarHBondContact N-OD1 3.01Å; S137-N140 WeakPolarHBondContact O-CB 3.32Å; S137-N140 PolarHBondContact O-N 3.14Å; S137-N140 PolarHBondContact OG-N 2.9Å; S137-N140 PolarHBondContact OG-OD1 3.04Å; F138-N140 VanDerWaalsContact C-N 3.31Å; F138-N140 PolarHBondContact O-N 2.82Å; N140-S142 VanDerWaalsContact C-N 3.31Å; N140-I161 HydrophobicContact CB-CD1 3.8Å; N140-H168 PolarHBondContact O-NE2 3.09Å |
| 141 | Q | 88.9 | Confident | 85.7 | Confident | 44 Ų | 44 | 28.5 Ų | 28.5 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -81.1 | -8.2 | 177.4 | -58.3 | -56.5 | -37.5 | 0 | 0 | 113.8 | D136 S137 F138 L139 A306 A307 | D136-Q141 PolarHBondContact OD1-NE2 2.97Å; D136-Q141 PolarHBondContact OD2-NE2 2.91Å; S137-Q141 PolarHBondContact O-N 3.43Å; F138-Q141 CarbonylContact O-C 3.6Å; F138-Q141 PolarHBondContact O-N 3.11Å; F138-Q141 VanDerWaalsContact O-N 3.14Å; L139-Q141 VanDerWaalsContact C-N 3.3Å; L139-Q141 PolarHBondContact O-N 2.82Å; Q141-A306 HydrophobicContact CB-CB 4.14Å; Q141-A307 HydrophobicContact CG-CB 4.3Å |
| 142 | S | 91.9 | Very high | 87 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -73.7 | 158.4 | 172.5 | 80.3 | 0 | 0 | 0 | 0 | 111.7 | F138 L139 N140 T145 H168 K217 | F138-S142 PolarHBondContact O-N 3.28Å; F138-S142 VanDerWaalsContact O-N 3.09Å; L139-S142 WeakPolarHBondContact O-CB 3.3Å; L139-S142 PolarHBondContact O-N 3.42Å; L139-S142 PolarHBondContact O-OG 3.04Å; N140-S142 VanDerWaalsContact C-N 3.31Å; S142-T145 PolarHBondContact OG-OG1 3.29Å; S142-H168 PolarHBondContact O-CD2 2.92Å; S142-K217 WeakPolarHBondContact CB-O 3.39Å |
| 143 | R | 92.2 | Very high | 88.3 | Confident | 114 Ų | 114 | 30.2 Ų | 30.2 | 43% | 0.43 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -78.5 | -48.7 | 172.4 | -176.8 | 175.7 | -69.5 | -148.5 | -3.5 | 111.6 | H168 N216 K217 | R143-H168 WeakPolarHBondContact O-CB 3.33Å; R143-N216 VanDerWaalsContact CB-O 3.27Å; R143-N216 WeakPolarHBondContact CB-O 3.3Å; R143-N216 VanDerWaalsContact CZ-OD1 3.26Å; R143-N216 PolarHBondContact NE-OD1 2.94Å; R143-N216 PolarHBondContact NH2-OD1 3.34Å; R143-K217 HydrophobicContact CB-CB 4.01Å; R143-K217 PolarHBondContact N-O 3.44Å |
| 144 | Y | 94.5 | Very high | 89.1 | Confident | 52 Ų | 52 | 29.8 Ų | 29.8 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.5 | 171.1 | -63 | -64.9 | 0 | 0 | 0 | 109.1 | W146 H168 F170 M212 I218 V219 | Y144-W146 HydrophobicContact CG-CH2 4.26Å; Y144-H168 CarbonylContact C-O 3.57Å; Y144-H168 WeakPolarHBondContact CA-O 3.03Å; Y144-H168 HydrophobicContact CD1-CB 4.05Å; Y144-H168 HydrophobicContact CE1-CB 4.43Å; Y144-F170 AromaticContact CD1-CE2 3.87Å; Y144-F170 HydrophobicContact CD1-CE2 3.87Å; Y144-F170 HydrophobicContact CD1-CZ 4.49Å; Y144-M212 HydrophobicContact CD1-CE 3.66Å; Y144-M212 HydrophobicContact CD2-CB 4Å; Y144-M212 HydrophobicContact CD2-CE 4.24Å; Y144-M212 HydrophobicContact CD2-CG 4.33Å; Y144-M212 HydrophobicContact CE1-CE 3.59Å; Y144-M212 HydrophobicContact CE2-CB 4.02Å; Y144-M212 HydrophobicContact CE2-CE 4.18Å; Y144-M212 HydrophobicContact CE2-CG 3.88Å; Y144-M212 HydrophobicContact CG-CE 4Å; Y144-I218 HydrophobicContact CD2-CD1 3.83Å; Y144-I218 HydrophobicContact CG-CD1 4.33Å; Y144-I218 WeakPolarHBondContact O-CA 3.34Å; Y144-V219 PolarHBondContact O-N 2.7Å |
| 145 | T | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.3 | 173.2 | -67.8 | 0 | 0 | 0 | 0 | 108.9 | L139 S142 F147 H168 V169 F170 V219 | L139-T145 HydrophobicContact CD1-CG2 4.39Å; L139-T145 HydrophobicContact CD2-CG2 3.94Å; S142-T145 PolarHBondContact OG-OG1 3.29Å; T145-F147 HydrophobicContact CG2-CB 4.3Å; T145-H168 PolarHBondContact N-O 3.37Å; T145-V169 HydrophobicContact CG2-CG1 4.06Å; T145-V169 CarbonylContact O-C 3.58Å; T145-V169 WeakPolarHBondContact O-CA 3.34Å; T145-F170 PolarHBondContact O-N 3.4Å; T145-V219 CarbonylContact C-O 3.24Å; T145-V219 VanDerWaalsContact CA-O 3.29Å; T145-V219 WeakPolarHBondContact CA-O 3.01Å; T145-V219 HydrophobicContact CG2-CB 4.31Å; T145-V219 HydrophobicContact CG2-CG1 4.35Å |
| 146 | W | 96.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.045 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129 | 161 | -66.4 | -100.1 | 0 | 0 | 0 | 109.5 | Y144 W148 F170 F199 L209 M212 V213 I218 V219 F220 F221 | Y144-W146 HydrophobicContact CG-CH2 4.26Å; W146-W148 HydrophobicContact CB-CE3 4.3Å; W146-W148 HydrophobicContact CB-CH2 3.18Å; W146-W148 HydrophobicContact CB-CZ2 3.89Å; W146-W148 HydrophobicContact CB-CZ3 3.4Å; W146-W148 VanDerWaalsContact CB-CZ3 3.4Å; W146-W148 AromaticContact CG-CH2 3.98Å; W146-W148 HydrophobicContact CG-CH2 3.98Å; W146-W148 HydrophobicContact CG-CZ2 4.5Å; W146-W148 WeakPolarHBondContact O-CZ3 3.4Å; W146-F170 CarbonylContact C-O 3.03Å; W146-F170 VanDerWaalsContact CA-O 3.3Å; W146-F170 WeakPolarHBondContact CA-O 3.4Å; W146-F170 HydrophobicContact CD2-CD2 4.2Å; W146-F170 AromaticContact CE2-CD2 3.69Å; W146-F170 HydrophobicContact CG-CB 4.22Å; W146-F170 HydrophobicContact CG-CD2 4.38Å; W146-F170 HydrophobicContact CZ2-CD2 4.11Å; W146-F170 HydrophobicContact CZ2-CE2 4.2Å; W146-F170 AromaticContact NE1-CD2 3.54Å; W146-F170 AromaticContact NE1-CG 3.85Å; W146-F199 AromaticContact CD1-CE2 3.47Å; W146-F199 VanDerWaalsContact CD1-CE2 3.47Å; W146-F199 AromaticContact CD1-CZ 3.71Å; W146-F199 HydrophobicContact CD2-CE1 4.38Å; W146-F199 HydrophobicContact CD2-CE2 4.23Å; W146-F199 AromaticContact CD2-CZ 3.7Å; W146-F199 HydrophobicContact CD2-CZ 3.7Å; W146-F199 AromaticContact CE2-CE2 3.7Å; W146-F199 AromaticContact CE2-CZ 3.45Å; W146-F199 VanDerWaalsContact CE2-CZ 3.45Å; W146-F199 HydrophobicContact CE3-CZ 4.38Å; W146-F199 HydrophobicContact CG-CE1 4.39Å; W146-F199 HydrophobicContact CG-CE2 4.11Å; W146-F199 AromaticContact CG-CZ 3.88Å; W146-F199 HydrophobicContact CG-CZ 3.88Å; W146-F199 HydrophobicContact CZ2-CE2 4.31Å; W146-F199 AromaticContact CZ2-CZ 3.94Å; W146-F199 HydrophobicContact CZ2-CZ 3.94Å; W146-F199 AromaticContact NE1-CE2 3.21Å; W146-F199 AromaticContact NE1-CZ 3.48Å; W146-L209 HydrophobicContact CZ2-CD2 4.44Å; W146-M212 HydrophobicContact CH2-CB 3.98Å; W146-M212 HydrophobicContact CH2-CE 4.33Å; W146-M212 HydrophobicContact CZ2-CB 4.35Å; W146-M212 HydrophobicContact CZ2-CE 3.99Å; W146-V213 HydrophobicContact CH2-CG1 3.59Å; W146-V213 HydrophobicContact CZ2-CG1 4.05Å; W146-V213 HydrophobicContact CZ3-CG1 3.9Å; W146-I218 HydrophobicContact CE3-CG2 4.46Å; W146-I218 HydrophobicContact CZ3-CG2 3.92Å; W146-V219 PolarHBondContact N-O 2.82Å; W146-F220 HydrophobicContact CB-CD1 4.18Å; W146-F220 HydrophobicContact CD2-CE1 4.14Å; W146-F220 HydrophobicContact CE3-CD1 4.06Å; W146-F220 AromaticContact CE3-CE1 3.55Å; W146-F220 HydrophobicContact CE3-CE1 3.55Å; W146-F220 HydrophobicContact CE3-CZ 4.36Å; W146-F220 HydrophobicContact CZ3-CE1 4.09Å; W146-F220 HydrophobicContact CZ3-CZ 4.5Å; W146-F221 PolarHBondContact O-N 3.08Å |
| 147 | F | 95.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 115.9 | -170.9 | -171.7 | 179.4 | 0 | 0 | 0 | 111.3 | L139 T145 V153 I154 F157 F170 T171 Q172 F221 | L139-F147 HydrophobicContact CD1-CD1 4.24Å; L139-F147 HydrophobicContact CD1-CE1 4.45Å; T145-F147 HydrophobicContact CG2-CB 4.3Å; F147-V153 HydrophobicContact CZ-CG1 3.99Å; F147-I154 HydrophobicContact CD1-CG1 3.93Å; F147-I154 HydrophobicContact CD2-CD1 4.35Å; F147-I154 HydrophobicContact CD2-CG1 3.93Å; F147-I154 HydrophobicContact CE1-CG1 3.88Å; F147-I154 HydrophobicContact CE2-CG1 3.84Å; F147-I154 HydrophobicContact CG-CG1 3.96Å; F147-I154 HydrophobicContact CZ-CG1 3.83Å; F147-F157 HydrophobicContact CE1-CB 4.48Å; F147-F157 HydrophobicContact CE1-CD2 4.21Å; F147-F170 PolarHBondContact N-O 3.41Å; F147-T171 HydrophobicContact CB-CG2 4.26Å; F147-T171 CarbonylContact O-C 3.6Å; F147-T171 WeakPolarHBondContact O-CA 3.1Å; F147-Q172 PolarHBondContact O-N 3.12Å; F147-F221 WeakPolarHBondContact CA-O 3.45Å; F147-F221 HydrophobicContact CB-CB 4.12Å; F147-F221 HydrophobicContact CD1-CG 4.47Å; F147-F221 HydrophobicContact CD2-CB 3.65Å; F147-F221 AromaticContact CD2-CD1 3.52Å; F147-F221 HydrophobicContact CD2-CD1 3.52Å; F147-F221 HydrophobicContact CD2-CD2 4.33Å; F147-F221 HydrophobicContact CD2-CE1 4.33Å; F147-F221 AromaticContact CD2-CG 3.56Å; F147-F221 HydrophobicContact CD2-CG 3.56Å; F147-F221 HydrophobicContact CE1-CD2 4.36Å; F147-F221 HydrophobicContact CE1-CG 4.48Å; F147-F221 HydrophobicContact CE2-CB 4.24Å; F147-F221 AromaticContact CE2-CD1 3.22Å; F147-F221 HydrophobicContact CE2-CD1 3.22Å; F147-F221 HydrophobicContact CE2-CD2 4.2Å; F147-F221 AromaticContact CE2-CE1 3.59Å; F147-F221 HydrophobicContact CE2-CE1 3.59Å; F147-F221 HydrophobicContact CE2-CE2 4.46Å; F147-F221 AromaticContact CE2-CG 3.62Å; F147-F221 HydrophobicContact CE2-CG 3.62Å; F147-F221 HydrophobicContact CE2-CZ 4.21Å; F147-F221 HydrophobicContact CG-CB 3.89Å; F147-F221 HydrophobicContact CG-CD1 4.43Å; F147-F221 HydrophobicContact CG-CG 4.04Å; F147-F221 AromaticContact CZ-CD1 3.89Å; F147-F221 HydrophobicContact CZ-CD1 3.89Å; F147-F221 HydrophobicContact CZ-CD2 4.2Å; F147-F221 AromaticContact CZ-CE1 3.93Å; F147-F221 HydrophobicContact CZ-CE1 3.93Å; F147-F221 HydrophobicContact CZ-CE2 4.2Å; F147-F221 HydrophobicContact CZ-CG 4.09Å; F147-F221 HydrophobicContact CZ-CZ 4.09Å |
| 148 | W | 96.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.5 | 175.4 | -61.9 | -93.6 | 0 | 0 | 0 | 112.5 | W146 Q172 W191 V192 F196 F199 F220 F221 L222 Y223 | W146-W148 HydrophobicContact CB-CE3 4.3Å; W146-W148 HydrophobicContact CB-CH2 3.18Å; W146-W148 HydrophobicContact CB-CZ2 3.89Å; W146-W148 HydrophobicContact CB-CZ3 3.4Å; W146-W148 VanDerWaalsContact CB-CZ3 3.4Å; W146-W148 AromaticContact CG-CH2 3.98Å; W146-W148 HydrophobicContact CG-CH2 3.98Å; W146-W148 HydrophobicContact CG-CZ2 4.5Å; W146-W148 WeakPolarHBondContact O-CZ3 3.4Å; W148-Q172 VanDerWaalsContact CA-O 3.28Å; W148-Q172 WeakPolarHBondContact CA-O 3.36Å; W148-W191 HydrophobicContact CB-CZ3 4.41Å; W148-V192 HydrophobicContact CB-CG1 3.97Å; W148-V192 HydrophobicContact CB-CG2 4.46Å; W148-F196 HydrophobicContact CE3-CD2 4.14Å; W148-F196 AromaticContact CH2-CD2 3.74Å; W148-F196 HydrophobicContact CH2-CD2 3.74Å; W148-F196 HydrophobicContact CH2-CE2 4.21Å; W148-F196 HydrophobicContact CZ2-CD2 4.44Å; W148-F196 AromaticContact CZ3-CD2 3.6Å; W148-F196 HydrophobicContact CZ3-CD2 3.6Å; W148-F196 HydrophobicContact CZ3-CE2 4.09Å; W148-F199 HydrophobicContact CH2-CB 4.39Å; W148-F199 AromaticContact CH2-CD1 3.64Å; W148-F199 HydrophobicContact CH2-CD1 3.64Å; W148-F199 HydrophobicContact CH2-CE1 4.09Å; W148-F199 AromaticContact CH2-CG 3.96Å; W148-F199 HydrophobicContact CH2-CG 3.96Å; W148-F199 HydrophobicContact CZ2-CB 3.68Å; W148-F199 AromaticContact CZ2-CD1 3.79Å; W148-F199 HydrophobicContact CZ2-CD1 3.79Å; W148-F199 HydrophobicContact CZ2-CD2 4.21Å; W148-F199 AromaticContact CZ2-CG 3.59Å; W148-F199 HydrophobicContact CZ2-CG 3.59Å; W148-F220 HydrophobicContact CH2-CD1 4.16Å; W148-F220 HydrophobicContact CZ3-CB 4.46Å; W148-F220 HydrophobicContact CZ3-CD1 4.09Å; W148-F221 PolarHBondContact N-O 3.09Å; W148-L222 HydrophobicContact CE3-CG 4.43Å; W148-Y223 WeakPolarHBondContact O-CB 3.48Å; W148-Y223 PolarHBondContact O-N 2.95Å |
| 149 | G | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.9 | -140.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I154 Q172 S173 Y174 | G149-I154 WeakPolarHBondContact O-CD1 3.47Å; G149-Q172 PolarHBondContact N-O 3.39Å; G149-S173 WeakPolarHBondContact O-CA 3.15Å; G149-S173 VanDerWaalsContact O-CB 3.26Å; G149-S173 WeakPolarHBondContact O-CB 3.31Å; G149-Y174 PolarHBondContact O-N 3.42Å |
| 150 | N | 89.3 | Confident | 85.8 | Confident | 14 Ų | 14 | 39 Ų | 39 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | trans | -63.9 | 134.7 | -172.8 | 171.9 | -82.2 | 0 | 0 | 0 | 112.9 | N152 V153 I154 Y174 E179 Y223 | N150-N152 PolarHBondContact O-N 2.84Å; N150-N152 VanDerWaalsContact OD1-CA 3.28Å; N150-N152 WeakPolarHBondContact OD1-CA 3.5Å; N150-N152 VanDerWaalsContact OD1-CB 3.25Å; N150-N152 WeakPolarHBondContact OD1-CB 3.46Å; N150-N152 PolarHBondContact OD1-N 3.33Å; N150-V153 HydrophobicContact CB-CB 4.45Å; N150-V153 HydrophobicContact CB-CG2 4.27Å; N150-V153 PolarHBondContact OD1-N 2.89Å; N150-I154 VanDerWaalsContact O-CB 3.29Å; N150-I154 WeakPolarHBondContact O-CB 2.68Å; N150-I154 VanDerWaalsContact O-CG1 3.26Å; N150-I154 WeakPolarHBondContact O-CG1 2.88Å; N150-I154 PolarHBondContact O-N 3.2Å; N150-Y174 WeakPolarHBondContact CA-OH 3.36Å; N150-Y174 WeakPolarHBondContact CB-OH 3.27Å; N150-E179 PolarHBondContact ND2-OE1 2.96Å; N150-Y223 HydrophobicContact CB-CD1 3.77Å; N150-Y223 HydrophobicContact CB-CE1 3.3Å; N150-Y223 HydrophobicContact CB-CE2 4.3Å; N150-Y223 HydrophobicContact CB-CG 4.44Å; N150-Y223 VanDerWaalsContact N-CD1 3.32Å | ||
| 151 | R | 86.3 | Confident | 84.4 | Confident | 122 Ų | 122 | 40.7 Ų | 40.7 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.6 | -36.4 | -177.1 | -173.1 | 177.9 | -176.9 | -161 | -0.4 | 113.2 | K155 | R151-K155 HydrophobicContact CG-CD 4.16Å; R151-K155 HydrophobicContact CG-CG 4.49Å; R151-K155 VanDerWaalsContact NE-CE 3.28Å; R151-K155 WeakPolarHBondContact O-CB 3.43Å; R151-K155 WeakPolarHBondContact O-CD 3.38Å; R151-K155 WeakPolarHBondContact O-CG 3.38Å; R151-K155 PolarHBondContact O-N 2.98Å; R151-K155 VanDerWaalsContact O-N 3.08Å |
| 152 | N | 81.8 | Confident | 82.8 | Confident | 100 Ų | 100 | 43.7 Ų | 43.7 | 54% | 0.535 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -72.5 | -41.8 | -177.3 | -60.6 | -34.6 | 0 | 0 | 0 | 111.4 | N150 | N150-N152 PolarHBondContact O-N 2.84Å; N150-N152 VanDerWaalsContact OD1-CA 3.28Å; N150-N152 WeakPolarHBondContact OD1-CA 3.5Å; N150-N152 VanDerWaalsContact OD1-CB 3.25Å; N150-N152 WeakPolarHBondContact OD1-CB 3.46Å; N150-N152 PolarHBondContact OD1-N 3.33Å |
| 153 | V | 84 | Confident | 80.9 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.9 | -47.1 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | H110 F147 N150 K155 M156 F157 Y223 | H110-V153 HydrophobicContact CB-CG1 3.94Å; F147-V153 HydrophobicContact CZ-CG1 3.99Å; N150-V153 HydrophobicContact CB-CB 4.45Å; N150-V153 HydrophobicContact CB-CG2 4.27Å; N150-V153 PolarHBondContact OD1-N 2.89Å; V153-K155 PolarHBondContact O-N 3.42Å; V153-M156 WeakPolarHBondContact O-CB 3.22Å; V153-M156 PolarHBondContact O-N 3.07Å; V153-M156 VanDerWaalsContact O-N 3.15Å; V153-F157 HydrophobicContact CG1-CD2 4.42Å; V153-F157 HydrophobicContact CG1-CE2 4.13Å; V153-F157 VanDerWaalsContact O-CD2 3.29Å; V153-F157 WeakPolarHBondContact O-CD2 3.46Å; V153-Y223 HydrophobicContact CB-CE2 4.5Å; V153-Y223 HydrophobicContact CG1-CD2 4.42Å; V153-Y223 HydrophobicContact CG2-CD2 4.37Å; V153-Y223 HydrophobicContact CG2-CE2 3.88Å |
| 154 | I | 84.8 | Confident | 79 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | -179.6 | -80.3 | 172.7 | 0 | 0 | 0 | 112.3 | F147 G149 N150 M156 F157 A158 T171 | F147-I154 HydrophobicContact CD1-CG1 3.93Å; F147-I154 HydrophobicContact CD2-CD1 4.35Å; F147-I154 HydrophobicContact CD2-CG1 3.93Å; F147-I154 HydrophobicContact CE1-CG1 3.88Å; F147-I154 HydrophobicContact CE2-CG1 3.84Å; F147-I154 HydrophobicContact CG-CG1 3.96Å; F147-I154 HydrophobicContact CZ-CG1 3.83Å; G149-I154 WeakPolarHBondContact O-CD1 3.47Å; N150-I154 VanDerWaalsContact O-CB 3.29Å; N150-I154 WeakPolarHBondContact O-CB 2.68Å; N150-I154 VanDerWaalsContact O-CG1 3.26Å; N150-I154 WeakPolarHBondContact O-CG1 2.88Å; N150-I154 PolarHBondContact O-N 3.2Å; I154-M156 PolarHBondContact O-N 3.24Å; I154-M156 VanDerWaalsContact O-N 3.07Å; I154-F157 PolarHBondContact O-N 3.36Å; I154-A158 HydrophobicContact CG2-CB 4.48Å; I154-A158 WeakPolarHBondContact O-CB 3.27Å; I154-A158 PolarHBondContact O-N 3.22Å; I154-T171 VanDerWaalsContact CG2-CB 3.41Å; I154-T171 HydrophobicContact CG2-CG2 3.74Å |
| 155 | K | 81.9 | Confident | 76.9 | Confident | 94 Ų | 94 | 55.8 Ų | 55.8 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.1 | -27.7 | -178.2 | -81 | 171.4 | 176.3 | 174.6 | 0 | 112.8 | R151 V153 F157 | R151-K155 HydrophobicContact CG-CD 4.16Å; R151-K155 HydrophobicContact CG-CG 4.49Å; R151-K155 VanDerWaalsContact NE-CE 3.28Å; R151-K155 WeakPolarHBondContact O-CB 3.43Å; R151-K155 WeakPolarHBondContact O-CD 3.38Å; R151-K155 WeakPolarHBondContact O-CG 3.38Å; R151-K155 PolarHBondContact O-N 2.98Å; R151-K155 VanDerWaalsContact O-N 3.08Å; V153-K155 PolarHBondContact O-N 3.42Å; K155-F157 VanDerWaalsContact C-N 3.34Å |
| 156 | M | 78.9 | Confident | 75.2 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 179.1 | -163.2 | 167.4 | -75.7 | 0 | 0 | 113.1 | R107 V111 N131 V153 I154 | R107-M156 HydrophobicContact CB-CE 4.16Å; R107-M156 HydrophobicContact CG-CE 3.41Å; R107-M156 VanDerWaalsContact CG-CE 3.41Å; R107-M156 HydrophobicContact CG-SD 4.1Å; V111-M156 HydrophobicContact CG2-SD 3.52Å; V111-M156 VanDerWaalsContact CG2-SD 3.52Å; N131-M156 HydrophobicContact CB-CG 4.44Å; N131-M156 VanDerWaalsContact CG-CG 3.4Å; N131-M156 WeakPolarHBondContact ND2-CG 3.37Å; N131-M156 WeakPolarHBondContact OD1-CE 3.27Å; V153-M156 WeakPolarHBondContact O-CB 3.22Å; V153-M156 PolarHBondContact O-N 3.07Å; V153-M156 VanDerWaalsContact O-N 3.15Å; I154-M156 PolarHBondContact O-N 3.24Å; I154-M156 VanDerWaalsContact O-N 3.07Å |
| 157 | F | 82.8 | Confident | 74 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -112.3 | -4 | -173.5 | -54.6 | -78.4 | 0 | 0 | 0 | 113.6 | H110 V111 I114 F135 L139 F147 V153 I154 K155 | H110-F157 HydrophobicContact CB-CE2 4.11Å; H110-F157 HydrophobicContact CB-CZ 4.32Å; V111-F157 HydrophobicContact CG2-CZ 4.16Å; I114-F157 HydrophobicContact CB-CD1 4.32Å; I114-F157 HydrophobicContact CB-CE1 3.82Å; I114-F157 HydrophobicContact CB-CZ 4.09Å; I114-F157 HydrophobicContact CD1-CD1 4.23Å; I114-F157 HydrophobicContact CD1-CD2 3.7Å; I114-F157 HydrophobicContact CD1-CE1 3.94Å; I114-F157 HydrophobicContact CD1-CE2 3.4Å; I114-F157 HydrophobicContact CD1-CG 4.13Å; I114-F157 HydrophobicContact CD1-CZ 3.53Å; I114-F157 HydrophobicContact CG1-CZ 4.39Å; I114-F157 HydrophobicContact CG2-CD1 3.6Å; I114-F157 HydrophobicContact CG2-CE1 3.57Å; I114-F157 HydrophobicContact CG2-CG 4.3Å; I114-F157 HydrophobicContact CG2-CZ 4.26Å; F135-F157 AromaticContact CE2-CE1 3.96Å; F135-F157 HydrophobicContact CE2-CE1 3.96Å; F135-F157 HydrophobicContact CZ-CE1 4.21Å; L139-F157 HydrophobicContact CD1-CB 3.95Å; L139-F157 HydrophobicContact CD1-CG 4.4Å; F147-F157 HydrophobicContact CE1-CB 4.48Å; F147-F157 HydrophobicContact CE1-CD2 4.21Å; V153-F157 HydrophobicContact CG1-CD2 4.42Å; V153-F157 HydrophobicContact CG1-CE2 4.13Å; V153-F157 VanDerWaalsContact O-CD2 3.29Å; V153-F157 WeakPolarHBondContact O-CD2 3.46Å; I154-F157 PolarHBondContact O-N 3.36Å; K155-F157 VanDerWaalsContact C-N 3.34Å |
| 158 | A | 75 | Confident | 73.6 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | trans | -74 | -26 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I154 S160 T171 | I154-A158 HydrophobicContact CG2-CB 4.48Å; I154-A158 WeakPolarHBondContact O-CB 3.27Å; I154-A158 PolarHBondContact O-N 3.22Å; A158-S160 PolarHBondContact O-N 3.39Å; A158-T171 HydrophobicContact CB-CG2 3.92Å | ||
| 159 | K | 68.2 | Low | 73.2 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -74.6 | 119.6 | -178.2 | -70 | -176.6 | -175.4 | 172.4 | 0 | 110.1 | E130 | E130-K159 IonicContact OE1-NZ 3.84Å; E130-K159 PolarHBondContact OE1-NZ 3.27Å; E130-K159 IonicContact OE2-NZ 2.75Å |
| 160 | S | 57.6 | Low | 73.2 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 137.9 | 170.3 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | A158 | A158-S160 PolarHBondContact O-N 3.39Š|
| 161 | I | 58.4 | Low | 73.3 | Confident | 46 Ų | 46 | 73.5 Ų | 73.5 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.4 | 171.6 | -57.3 | 171.3 | 0 | 0 | 0 | 109.3 | D136 N140 G163 H164 | D136-I161 HydrophobicContact CB-CD1 4.22Å; N140-I161 HydrophobicContact CB-CD1 3.8Å; I161-G163 PolarHBondContact O-N 3.32Å; I161-G163 VanDerWaalsContact O-N 3.16Å; I161-H164 PolarHBondContact O-N 2.9Å |
| 162 | P | 54.4 | Low | 73.7 | Confident | 106 Ų | 106 | 71.4 Ų | 71.4 | 69% | 0.688 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 120.9 | 171.4 | -25.2 | 32.4 | 0 | 0 | 0 | 111.1 | M134 | M134-P162 VanDerWaalsContact SD-CD 3.58Å; M134-P162 HydrophobicContact SD-CG 4.15Å |
| 163 | G | 53 | Low | 74.2 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 78% | 0.784 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.6 | -23.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | I161 R165 | I161-G163 PolarHBondContact O-N 3.32Å; I161-G163 VanDerWaalsContact O-N 3.16Å; G163-R165 PolarHBondContact O-N 3.49Å |
| 164 | H | 52.6 | Low | 74.4 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | trans | -83.9 | 113.4 | 170.6 | -71.6 | -81.1 | 0 | 0 | 0 | 110.4 | I161 | I161-H164 PolarHBondContact O-N 2.9Š| ||
| 165 | R | 50.3 | Low | 74.4 | Confident | 259 Ų | 259 | 71.1 Ų | 71.1 | 98% | 0.977 | 39% | 0.385 | S | S | * | . | trans | -76 | -17.5 | -178 | -71.6 | -173.3 | -179.3 | -176.2 | 0.6 | 114.5 | G163 | G163-R165 PolarHBondContact O-N 3.49Š| ||
| 166 | K | 57.7 | Low | 74.2 | Confident | 167 Ų | 167 | 68.3 Ų | 68.3 | 73% | 0.726 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -122 | 135.7 | -178.2 | -71.8 | -173.7 | 177.1 | -176.8 | 0 | 109.7 | H168 | K166-H168 PolarHBondContact O-N 3.1Š|
| 167 | A | 72.1 | Confident | 74 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 59% | 0.587 | 40% | 0.399 | S | S | * | . | trans | -63.2 | 114.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | F170 | A167-F170 WeakPolarHBondContact O-CZ 3.46Š| ||
| 168 | H | 86.4 | Confident | 73.7 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 6% | 0.06 | 41% | 0.411 | C | S | . | . | trans | -110 | -7.6 | 176.3 | 69.1 | -73.9 | 0 | 0 | 0 | 113 | L139 N140 S142 R143 Y144 T145 K166 | L139-H168 PolarHBondContact O-NE2 3.43Å; N140-H168 PolarHBondContact O-NE2 3.09Å; S142-H168 PolarHBondContact O-CD2 2.92Å; R143-H168 WeakPolarHBondContact O-CB 3.33Å; Y144-H168 CarbonylContact C-O 3.57Å; Y144-H168 WeakPolarHBondContact CA-O 3.03Å; Y144-H168 HydrophobicContact CD1-CB 4.05Å; Y144-H168 HydrophobicContact CE1-CB 4.43Å; T145-H168 PolarHBondContact N-O 3.37Å; K166-H168 PolarHBondContact O-N 3.1Å | ||
| 169 | V | 89.8 | Confident | 73.6 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 10% | 0.097 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 108.5 | 172.4 | -176 | 0 | 0 | 0 | 0 | 107.8 | T145 T171 | T145-V169 HydrophobicContact CG2-CG1 4.06Å; T145-V169 CarbonylContact O-C 3.58Å; T145-V169 WeakPolarHBondContact O-CA 3.34Å; V169-T171 HydrophobicContact CG1-CG2 3.9Å |
| 170 | F | 92.5 | Very high | 73.5 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 32% | 0.316 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.8 | 177.2 | -55.7 | -77.6 | 0 | 0 | 0 | 108.8 | Y144 T145 W146 F147 A167 M212 | Y144-F170 AromaticContact CD1-CE2 3.87Å; Y144-F170 HydrophobicContact CD1-CE2 3.87Å; Y144-F170 HydrophobicContact CD1-CZ 4.49Å; T145-F170 PolarHBondContact O-N 3.4Å; W146-F170 CarbonylContact C-O 3.03Å; W146-F170 VanDerWaalsContact CA-O 3.3Å; W146-F170 WeakPolarHBondContact CA-O 3.4Å; W146-F170 HydrophobicContact CD2-CD2 4.2Å; W146-F170 AromaticContact CE2-CD2 3.69Å; W146-F170 HydrophobicContact CG-CB 4.22Å; W146-F170 HydrophobicContact CG-CD2 4.38Å; W146-F170 HydrophobicContact CZ2-CD2 4.11Å; W146-F170 HydrophobicContact CZ2-CE2 4.2Å; W146-F170 AromaticContact NE1-CD2 3.54Å; W146-F170 AromaticContact NE1-CG 3.85Å; F147-F170 PolarHBondContact N-O 3.41Å; A167-F170 WeakPolarHBondContact O-CZ 3.46Å; F170-M212 HydrophobicContact CE2-CE 3.52Å; F170-M212 HydrophobicContact CZ-CE 3.66Å |
| 171 | T | 91.8 | Very high | 73.3 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.3 | -171.9 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | F147 I154 A158 V169 | F147-T171 HydrophobicContact CB-CG2 4.26Å; F147-T171 CarbonylContact O-C 3.6Å; F147-T171 WeakPolarHBondContact O-CA 3.1Å; I154-T171 VanDerWaalsContact CG2-CB 3.41Å; I154-T171 HydrophobicContact CG2-CG2 3.74Å; A158-T171 HydrophobicContact CB-CG2 3.92Å; V169-T171 HydrophobicContact CG1-CG2 3.9Å |
| 172 | Q | 93.9 | Very high | 73 | Confident | 79 Ų | 79 | 85.9 Ų | 85.9 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 115.9 | 175.7 | -157.2 | -174.6 | -11.5 | 0 | 0 | 108.8 | F147 W148 G149 W191 N195 | F147-Q172 PolarHBondContact O-N 3.12Å; W148-Q172 VanDerWaalsContact CA-O 3.28Å; W148-Q172 WeakPolarHBondContact CA-O 3.36Å; G149-Q172 PolarHBondContact N-O 3.39Å; Q172-W191 HydrophobicContact CB-CH2 4.21Å; Q172-W191 HydrophobicContact CG-CH2 3.82Å; Q172-W191 HydrophobicContact CG-CZ2 4.23Å; Q172-W191 WeakPolarHBondContact O-CH2 3.31Å; Q172-N195 PolarHBondContact NE2-OD1 3.33Å |
| 173 | S | 92.2 | Very high | 73.4 | Confident | 44 Ų | 44 | 91.9 Ų | 91.9 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 146 | 178.4 | 63 | 0 | 0 | 0 | 0 | 111.5 | G149 | G149-S173 WeakPolarHBondContact O-CA 3.15Å; G149-S173 VanDerWaalsContact O-CB 3.26Å; G149-S173 WeakPolarHBondContact O-CB 3.31Å |
| 174 | Y | 89 | Confident | 74.7 | Confident | 4 Ų | 4 | 91.3 Ų | 91.3 | 2% | 0.016 | 44% | 0.443 | C | S | . | . | trans | -66.7 | 163.3 | 162.7 | 48.6 | -106 | 0 | 0 | 0 | 110.2 | G149 N150 M178 E179 L188 W191 V192 | G149-Y174 PolarHBondContact O-N 3.42Å; N150-Y174 WeakPolarHBondContact CA-OH 3.36Å; N150-Y174 WeakPolarHBondContact CB-OH 3.27Å; Y174-M178 HydrophobicContact CG-SD 4.36Å; Y174-E179 HydrophobicContact CD2-CG 4.09Å; Y174-E179 HydrophobicContact CE2-CG 3.55Å; Y174-E179 VanDerWaalsContact CE2-OE1 3.24Å; Y174-E179 WeakPolarHBondContact CE2-OE1 3.35Å; Y174-E179 PolarHBondContact OH-OE1 3.04Å; Y174-L188 HydrophobicContact CD1-CD2 4.4Å; Y174-L188 HydrophobicContact CD2-CD2 3.9Å; Y174-L188 HydrophobicContact CE1-CB 4.4Å; Y174-L188 HydrophobicContact CE1-CD2 4.25Å; Y174-L188 HydrophobicContact CE2-CD2 3.74Å; Y174-L188 HydrophobicContact CG-CD2 4.22Å; Y174-W191 HydrophobicContact CD1-CD2 4.42Å; Y174-W191 AromaticContact CD1-CE3 3.82Å; Y174-W191 HydrophobicContact CD1-CE3 3.82Å; Y174-W191 HydrophobicContact CD1-CZ3 4.18Å; Y174-W191 HydrophobicContact CG-CE3 4.4Å; Y174-V192 HydrophobicContact CD1-CG2 4.38Å; Y174-V192 HydrophobicContact CE1-CG2 4.39Å | ||
| 175 | S | 84.8 | Confident | 76.2 | Confident | 58 Ų | 58 | 88 Ų | 88 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | trans | -81.1 | 155.4 | -174.4 | 82.3 | 0 | 0 | 0 | 0 | 111.4 | E177 M178 | S175-E177 WeakPolarHBondContact CB-OE2 3.25Å; S175-E177 PolarHBondContact O-N 3.31Å; S175-E177 PolarHBondContact OG-OE2 2.89Å; S175-M178 WeakPolarHBondContact O-CB 3.48Å; S175-M178 PolarHBondContact O-N 3.42Å | ||
| 176 | A | 77.3 | Confident | 78.1 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -30.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M178 E179 E180 | A176-M178 PolarHBondContact O-N 2.78Å; A176-E179 WeakPolarHBondContact O-CB 3.48Å; A176-E179 PolarHBondContact O-N 3.27Å; A176-E180 PolarHBondContact O-N 3.27Å |
| 177 | E | 74.4 | Confident | 79.6 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -26.9 | 175.7 | -53.8 | 81.1 | -174.7 | 0 | 0 | 112 | S175 E179 L181 | S175-E177 WeakPolarHBondContact CB-OE2 3.25Å; S175-E177 PolarHBondContact O-N 3.31Å; S175-E177 PolarHBondContact OG-OE2 2.89Å; E177-E179 VanDerWaalsContact C-N 3.33Å; E177-L181 HydrophobicContact CB-CD1 4.48Å; E177-L181 WeakPolarHBondContact O-CB 3.23Å; E177-L181 VanDerWaalsContact O-CD1 3.31Å; E177-L181 WeakPolarHBondContact O-CD1 3.4Å; E177-L181 VanDerWaalsContact O-CG 3.27Å; E177-L181 WeakPolarHBondContact O-CG 3.47Å; E177-L181 PolarHBondContact O-N 3.42Å |
| 178 | M | 77.2 | Confident | 80.6 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 28% | 0.281 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.8 | -27.3 | 176.1 | -166.7 | 177.4 | -79.2 | 0 | 0 | 112.4 | Y174 S175 A176 L188 W191 | Y174-M178 HydrophobicContact CG-SD 4.36Å; S175-M178 WeakPolarHBondContact O-CB 3.48Å; S175-M178 PolarHBondContact O-N 3.42Å; A176-M178 PolarHBondContact O-N 2.78Å; M178-L188 HydrophobicContact CB-CD2 4.3Å; M178-L188 HydrophobicContact CG-CD2 3.69Å; M178-L188 HydrophobicContact SD-CD2 4Å; M178-W191 HydrophobicContact CE-CG 4.45Å; M178-W191 HydrophobicContact SD-CB 4.24Å; M178-W191 HydrophobicContact SD-CG 4.36Å |
| 179 | E | 72.4 | Confident | 81 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -77.8 | -47.3 | 172.4 | -58 | -173.8 | 133.1 | 0 | 0 | 110.4 | N150 Y174 A176 E177 L181 L188 | N150-E179 PolarHBondContact ND2-OE1 2.96Å; Y174-E179 HydrophobicContact CD2-CG 4.09Å; Y174-E179 HydrophobicContact CE2-CG 3.55Å; Y174-E179 VanDerWaalsContact CE2-OE1 3.24Å; Y174-E179 WeakPolarHBondContact CE2-OE1 3.35Å; Y174-E179 PolarHBondContact OH-OE1 3.04Å; A176-E179 WeakPolarHBondContact O-CB 3.48Å; A176-E179 PolarHBondContact O-N 3.27Å; E177-E179 VanDerWaalsContact C-N 3.33Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 3.49Å; E179-L188 HydrophobicContact CG-CD2 4.48Å |
| 180 | E | 65.3 | Low | 81.2 | Confident | 157 Ų | 157 | 72.7 Ų | 72.7 | 73% | 0.734 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.2 | -29 | -177.8 | -68.4 | 179.5 | -173.5 | 0 | 0 | 113.4 | A176 E182 | A176-E180 PolarHBondContact O-N 3.27Å; E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 2.99Å |
| 181 | L | 53.5 | Low | 81.3 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 56% | 0.56 | 35% | 0.354 | S | S | * | . | trans | -78.7 | 80.9 | 176 | -76.6 | 161 | 0 | 0 | 0 | 110.1 | E177 E179 R183 | E177-L181 HydrophobicContact CB-CD1 4.48Å; E177-L181 WeakPolarHBondContact O-CB 3.23Å; E177-L181 VanDerWaalsContact O-CD1 3.31Å; E177-L181 WeakPolarHBondContact O-CD1 3.4Å; E177-L181 VanDerWaalsContact O-CG 3.27Å; E177-L181 WeakPolarHBondContact O-CG 3.47Å; E177-L181 PolarHBondContact O-N 3.42Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 3.49Å; L181-R183 PolarHBondContact O-N 3.03Å | ||
| 182 | E | 53.2 | Low | 81.6 | Confident | 166 Ų | 166 | 68.7 Ų | 68.7 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -7.7 | 172.1 | -73 | -179.3 | 163.4 | 0 | 0 | 115.9 | E180 N184 | E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 2.99Å; E182-N184 PolarHBondContact O-N 3.1Å; E182-N184 VanDerWaalsContact O-N 3.14Å |
| 183 | R | 62.2 | Low | 81.8 | Confident | 232 Ų | 232 | 65.4 Ų | 65.4 | 88% | 0.875 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.4 | -171 | -72.9 | -172.8 | 179.4 | -177 | 0.8 | 113.3 | L181 | L181-R183 PolarHBondContact O-N 3.03Š|
| 184 | N | 80.9 | Confident | 82 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | trans | -161 | 86.5 | -177.7 | -167.3 | -15.6 | 0 | 0 | 0 | 112.6 | E182 Y186 L187 | E182-N184 PolarHBondContact O-N 3.1Å; E182-N184 VanDerWaalsContact O-N 3.14Å; N184-Y186 PolarHBondContact O-N 3.46Å; N184-Y186 VanDerWaalsContact O-N 3.11Å; N184-Y186 VanDerWaalsContact OD1-CB 3.27Å; N184-Y186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Y186 WeakPolarHBondContact OD1-CD2 3.49Å; N184-Y186 PolarHBondContact OD1-N 3.16Å; N184-L187 HydrophobicContact CB-CD1 3.95Å; N184-L187 HydrophobicContact CB-CG 4Å; N184-L187 WeakPolarHBondContact O-CB 3.18Å; N184-L187 WeakPolarHBondContact O-CG 3.33Å; N184-L187 PolarHBondContact O-N 2.82Å; N184-L187 VanDerWaalsContact O-N 3.12Å | ||
| 185 | P | 84.2 | Confident | 82.5 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.4 | -178.4 | 25.2 | -35.2 | 0 | 0 | 0 | 113.4 | L187 L188 T226 E229 I230 | P185-L187 PolarHBondContact O-N 2.81Å; P185-L187 VanDerWaalsContact O-N 3.16Å; P185-L188 WeakPolarHBondContact O-CG 3.38Å; P185-L188 PolarHBondContact O-N 3.48Å; P185-T226 HydrophobicContact CB-CG2 4.43Å; P185-T226 WeakPolarHBondContact O-CB 3.31Å; P185-T226 PolarHBondContact O-OG1 3.34Å; P185-E229 HydrophobicContact CB-CB 3.97Å; P185-E229 HydrophobicContact CB-CG 3.63Å; P185-I230 HydrophobicContact CB-CG1 4.15Å; P185-I230 HydrophobicContact CG-CD1 4.25Å; P185-I230 HydrophobicContact CG-CG1 3.6Å |
| 186 | Y | 89.2 | Confident | 83.1 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 11% | 0.114 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -19.2 | 176.5 | -55.7 | -85.6 | 0 | 0 | 0 | 113.3 | N184 L188 Q190 T226 I230 M237 R240 A241 M244 | N184-Y186 PolarHBondContact O-N 3.46Å; N184-Y186 VanDerWaalsContact O-N 3.11Å; N184-Y186 VanDerWaalsContact OD1-CB 3.27Å; N184-Y186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Y186 WeakPolarHBondContact OD1-CD2 3.49Å; N184-Y186 PolarHBondContact OD1-N 3.16Å; Y186-L188 VanDerWaalsContact C-N 3.28Å; Y186-L188 PolarHBondContact O-N 3.38Å; Y186-Q190 VanDerWaalsContact O-CG 3.3Å; Y186-Q190 WeakPolarHBondContact O-CG 3.43Å; Y186-Q190 PolarHBondContact O-N 2.86Å; Y186-T226 HydrophobicContact CD1-CG2 3.96Å; Y186-T226 HydrophobicContact CG-CG2 4.32Å; Y186-I230 HydrophobicContact CE1-CD1 4.01Å; Y186-M237 VanDerWaalsContact OH-CA 3.3Å; Y186-M237 WeakPolarHBondContact OH-CA 3.47Å; Y186-M237 WeakPolarHBondContact OH-CB 3.32Å; Y186-M237 PolarHBondContact OH-O 2.84Å; Y186-M237 VanDerWaalsContact OH-O 3.07Å; Y186-R240 HydrophobicContact CE1-CB 4.23Å; Y186-R240 HydrophobicContact CE1-CG 4.03Å; Y186-A241 HydrophobicContact CD1-CB 4.39Å; Y186-A241 HydrophobicContact CE1-CB 3.97Å; Y186-M244 HydrophobicContact CD1-CE 3.94Å; Y186-M244 HydrophobicContact CD1-SD 3.82Å; Y186-M244 HydrophobicContact CG-CE 4.5Å; Y186-M244 HydrophobicContact CG-SD 4.22Å |
| 187 | L | 89.9 | Confident | 84.1 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.5 | -25.7 | 178.3 | -66.3 | 177.5 | 0 | 0 | 0 | 113.1 | N184 P185 W191 | N184-L187 HydrophobicContact CB-CD1 3.95Å; N184-L187 HydrophobicContact CB-CG 4Å; N184-L187 WeakPolarHBondContact O-CB 3.18Å; N184-L187 WeakPolarHBondContact O-CG 3.33Å; N184-L187 PolarHBondContact O-N 2.82Å; N184-L187 VanDerWaalsContact O-N 3.12Å; P185-L187 PolarHBondContact O-N 2.81Å; P185-L187 VanDerWaalsContact O-N 3.16Å; L187-W191 VanDerWaalsContact O-CB 3.25Å; L187-W191 WeakPolarHBondContact O-CB 3.43Å; L187-W191 PolarHBondContact O-N 3.03Å |
| 188 | L | 91.9 | Very high | 85.2 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -55.6 | -178.7 | -60.8 | 175.6 | 0 | 0 | 0 | 110.9 | Y174 M178 E179 P185 Y186 Q190 W191 V192 E229 | Y174-L188 HydrophobicContact CD1-CD2 4.4Å; Y174-L188 HydrophobicContact CD2-CD2 3.9Å; Y174-L188 HydrophobicContact CE1-CB 4.4Å; Y174-L188 HydrophobicContact CE1-CD2 4.25Å; Y174-L188 HydrophobicContact CE2-CD2 3.74Å; Y174-L188 HydrophobicContact CG-CD2 4.22Å; M178-L188 HydrophobicContact CB-CD2 4.3Å; M178-L188 HydrophobicContact CG-CD2 3.69Å; M178-L188 HydrophobicContact SD-CD2 4Å; E179-L188 HydrophobicContact CG-CD2 4.48Å; P185-L188 WeakPolarHBondContact O-CG 3.38Å; P185-L188 PolarHBondContact O-N 3.48Å; Y186-L188 VanDerWaalsContact C-N 3.28Å; Y186-L188 PolarHBondContact O-N 3.38Å; L188-Q190 PolarHBondContact O-N 3.26Å; L188-W191 WeakPolarHBondContact O-CB 3.38Å; L188-W191 PolarHBondContact O-N 2.87Å; L188-V192 WeakPolarHBondContact O-CG2 3.33Å; L188-V192 PolarHBondContact O-N 3.36Å; L188-V192 VanDerWaalsContact O-N 3.15Å; L188-E229 HydrophobicContact CD1-CB 4.22Å; L188-E229 HydrophobicContact CD1-CG 4.27Å |
| 189 | D | 95 | Very high | 86.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -36.9 | -179.9 | -66.2 | 0.8 | 0 | 0 | 0 | 111.7 | W191 V192 F193 L224 G225 T226 M244 V245 | D189-W191 VanDerWaalsContact C-N 3.29Å; D189-W191 PolarHBondContact O-N 3.39Å; D189-V192 WeakPolarHBondContact O-CB 3.22Å; D189-V192 PolarHBondContact O-N 3.14Å; D189-V192 VanDerWaalsContact O-N 3.16Å; D189-F193 HydrophobicContact CB-CE2 4.04Å; D189-F193 WeakPolarHBondContact O-CD2 3.41Å; D189-F193 WeakPolarHBondContact O-CG 3.31Å; D189-F193 PolarHBondContact O-N 3.31Å; D189-L224 HydrophobicContact CB-CD2 4.12Å; D189-L224 WeakPolarHBondContact OD1-CA 3.26Å; D189-L224 WeakPolarHBondContact OD1-CB 3.37Å; D189-G225 PolarHBondContact OD1-N 3.43Å; D189-T226 VanDerWaalsContact CG-CB 3.49Å; D189-T226 PolarHBondContact N-OG1 3.01Å; D189-T226 PolarHBondContact OD1-N 3.3Å; D189-T226 VanDerWaalsContact OD1-N 3.08Å; D189-T226 PolarHBondContact OD1-OG1 3.08Å; D189-T226 VanDerWaalsContact OD2-CB 3.29Å; D189-T226 WeakPolarHBondContact OD2-CB 3.43Å; D189-T226 PolarHBondContact OD2-OG1 2.82Å; D189-M244 HydrophobicContact CB-CE 3.7Å; D189-V245 WeakPolarHBondContact OD2-CG2 3.45Å |
| 190 | Q | 94.4 | Very high | 87.3 | Confident | 97 Ų | 97 | 62 Ų | 62 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 174.2 | -73.2 | 178.8 | 11.6 | 0 | 0 | 111.9 | Y186 L188 V192 F193 H194 M244 | Y186-Q190 VanDerWaalsContact O-CG 3.3Å; Y186-Q190 WeakPolarHBondContact O-CG 3.43Å; Y186-Q190 PolarHBondContact O-N 2.86Å; L188-Q190 PolarHBondContact O-N 3.26Å; Q190-V192 VanDerWaalsContact C-N 3.32Å; Q190-F193 PolarHBondContact O-N 2.84Å; Q190-H194 WeakPolarHBondContact O-CB 3.29Å; Q190-H194 PolarHBondContact O-N 3.45Å; Q190-M244 HydrophobicContact CG-SD 4.03Å |
| 191 | W | 95.1 | Very high | 88.8 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 20% | 0.197 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.2 | -179 | 97.9 | 0 | 0 | 0 | 110.7 | W148 Q172 Y174 M178 L187 L188 D189 H194 N195 | W148-W191 HydrophobicContact CB-CZ3 4.41Å; Q172-W191 HydrophobicContact CB-CH2 4.21Å; Q172-W191 HydrophobicContact CG-CH2 3.82Å; Q172-W191 HydrophobicContact CG-CZ2 4.23Å; Q172-W191 WeakPolarHBondContact O-CH2 3.31Å; Y174-W191 HydrophobicContact CD1-CD2 4.42Å; Y174-W191 AromaticContact CD1-CE3 3.82Å; Y174-W191 HydrophobicContact CD1-CE3 3.82Å; Y174-W191 HydrophobicContact CD1-CZ3 4.18Å; Y174-W191 HydrophobicContact CG-CE3 4.4Å; M178-W191 HydrophobicContact CE-CG 4.45Å; M178-W191 HydrophobicContact SD-CB 4.24Å; M178-W191 HydrophobicContact SD-CG 4.36Å; L187-W191 VanDerWaalsContact O-CB 3.25Å; L187-W191 WeakPolarHBondContact O-CB 3.43Å; L187-W191 PolarHBondContact O-N 3.03Å; L188-W191 WeakPolarHBondContact O-CB 3.38Å; L188-W191 PolarHBondContact O-N 2.87Å; D189-W191 VanDerWaalsContact C-N 3.29Å; D189-W191 PolarHBondContact O-N 3.39Å; W191-H194 PolarHBondContact O-N 3.25Å; W191-N195 PolarHBondContact NE1-ND2 3.46Å; W191-N195 WeakPolarHBondContact O-CB 3.05Å; W191-N195 PolarHBondContact O-N 2.65Å; W191-N195 PolarHBondContact O-ND2 3.41Å |
| 192 | V | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -50.3 | 178.3 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | W148 Y174 L188 D189 Q190 H194 N195 F196 L222 Y223 L224 | W148-V192 HydrophobicContact CB-CG1 3.97Å; W148-V192 HydrophobicContact CB-CG2 4.46Å; Y174-V192 HydrophobicContact CD1-CG2 4.38Å; Y174-V192 HydrophobicContact CE1-CG2 4.39Å; L188-V192 WeakPolarHBondContact O-CG2 3.33Å; L188-V192 PolarHBondContact O-N 3.36Å; L188-V192 VanDerWaalsContact O-N 3.15Å; D189-V192 WeakPolarHBondContact O-CB 3.22Å; D189-V192 PolarHBondContact O-N 3.14Å; D189-V192 VanDerWaalsContact O-N 3.16Å; Q190-V192 VanDerWaalsContact C-N 3.32Å; V192-H194 PolarHBondContact O-N 2.84Å; V192-N195 PolarHBondContact O-N 2.84Å; V192-F196 PolarHBondContact O-N 3.22Å; V192-L222 HydrophobicContact CG1-CB 3.82Å; V192-L222 HydrophobicContact CG1-CD2 3.91Å; V192-L222 HydrophobicContact CG1-CG 4.14Å; V192-Y223 WeakPolarHBondContact CG2-O 3.48Å; V192-L224 HydrophobicContact CB-CD2 4.24Å; V192-L224 HydrophobicContact CG1-CD2 3.9Å |
| 193 | F | 98.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.044 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 177.5 | -60.8 | -42.3 | 0 | 0 | 0 | 112.6 | F51 D189 Q190 K197 L222 L224 I249 L252 | F51-F193 HydrophobicContact CD1-CE1 4.5Å; F51-F193 HydrophobicContact CE1-CE1 4.25Å; D189-F193 HydrophobicContact CB-CE2 4.04Å; D189-F193 WeakPolarHBondContact O-CD2 3.41Å; D189-F193 WeakPolarHBondContact O-CG 3.31Å; D189-F193 PolarHBondContact O-N 3.31Å; Q190-F193 PolarHBondContact O-N 2.84Å; F193-K197 WeakPolarHBondContact O-CG 3.37Å; F193-K197 PolarHBondContact O-N 2.88Å; F193-L222 HydrophobicContact CD1-CD2 4.36Å; F193-L224 HydrophobicContact CD1-CD2 4.37Å; F193-L224 HydrophobicContact CE1-CD1 4.16Å; F193-L224 HydrophobicContact CE1-CD2 3.66Å; F193-L224 HydrophobicContact CE2-CD2 4.42Å; F193-L224 HydrophobicContact CZ-CD1 3.9Å; F193-L224 HydrophobicContact CZ-CD2 3.69Å; F193-L224 HydrophobicContact CZ-CG 4.48Å; F193-I249 HydrophobicContact CE1-CG1 4.45Å; F193-I249 HydrophobicContact CZ-CG1 4.47Å; F193-L252 HydrophobicContact CB-CD1 4.5Å; F193-L252 HydrophobicContact CD1-CD1 3.55Å; F193-L252 HydrophobicContact CD1-CG 4.12Å; F193-L252 HydrophobicContact CE1-CD1 4.24Å; F193-L252 HydrophobicContact CG-CD1 4.42Å |
| 194 | H | 97.5 | Very high | 94.5 | Very high | 105 Ų | 105 | 42.9 Ų | 42.9 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -48.6 | 177.7 | 178.1 | 76.9 | 0 | 0 | 0 | 111.9 | Q190 W191 V192 F196 K197 V198 | Q190-H194 WeakPolarHBondContact O-CB 3.29Å; Q190-H194 PolarHBondContact O-N 3.45Å; W191-H194 PolarHBondContact O-N 3.25Å; V192-H194 PolarHBondContact O-N 2.84Å; H194-F196 VanDerWaalsContact C-N 3.3Å; H194-F196 PolarHBondContact O-N 3.44Å; H194-K197 WeakPolarHBondContact O-CB 3.5Å; H194-K197 PolarHBondContact O-N 2.84Å; H194-K197 VanDerWaalsContact O-N 3.11Å; H194-V198 WeakPolarHBondContact O-CG2 3.29Å; H194-V198 PolarHBondContact O-N 2.97Å |
| 195 | N | 97.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -33.8 | -179 | -80.2 | -85.8 | 0 | 0 | 0 | 112.2 | Q172 W191 V192 V198 F199 | Q172-N195 PolarHBondContact NE2-OD1 3.33Å; W191-N195 PolarHBondContact NE1-ND2 3.46Å; W191-N195 WeakPolarHBondContact O-CB 3.05Å; W191-N195 PolarHBondContact O-N 2.65Å; W191-N195 PolarHBondContact O-ND2 3.41Å; V192-N195 PolarHBondContact O-N 2.84Å; N195-V198 PolarHBondContact O-N 3.45Å; N195-F199 VanDerWaalsContact O-CB 3.32Å; N195-F199 WeakPolarHBondContact O-CB 3.29Å; N195-F199 PolarHBondContact O-N 3.37Å |
| 196 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 170.7 | -176.9 | -89.4 | 0 | 0 | 0 | 111.9 | W148 V192 H194 F199 L200 F220 L222 L252 I256 | W148-F196 HydrophobicContact CE3-CD2 4.14Å; W148-F196 AromaticContact CH2-CD2 3.74Å; W148-F196 HydrophobicContact CH2-CD2 3.74Å; W148-F196 HydrophobicContact CH2-CE2 4.21Å; W148-F196 HydrophobicContact CZ2-CD2 4.44Å; W148-F196 AromaticContact CZ3-CD2 3.6Å; W148-F196 HydrophobicContact CZ3-CD2 3.6Å; W148-F196 HydrophobicContact CZ3-CE2 4.09Å; V192-F196 PolarHBondContact O-N 3.22Å; H194-F196 VanDerWaalsContact C-N 3.3Å; H194-F196 PolarHBondContact O-N 3.44Å; F196-F199 WeakPolarHBondContact O-CB 3.28Å; F196-F199 PolarHBondContact O-N 3.14Å; F196-L200 HydrophobicContact CE1-CD2 4.49Å; F196-L200 PolarHBondContact O-N 3.09Å; F196-F220 HydrophobicContact CE2-CB 3.91Å; F196-F220 AromaticContact CE2-CD1 3.82Å; F196-F220 HydrophobicContact CE2-CD1 3.82Å; F196-F220 HydrophobicContact CE2-CD2 4.47Å; F196-F220 HydrophobicContact CE2-CE1 4.5Å; F196-F220 AromaticContact CE2-CG 3.8Å; F196-F220 HydrophobicContact CE2-CG 3.8Å; F196-F220 HydrophobicContact CZ-CG 4.43Å; F196-L222 HydrophobicContact CB-CD2 3.97Å; F196-L222 HydrophobicContact CD2-CD1 4.21Å; F196-L222 HydrophobicContact CD2-CD2 4.08Å; F196-L222 HydrophobicContact CD2-CG 4.44Å; F196-L222 HydrophobicContact CE2-CD1 4.42Å; F196-L222 HydrophobicContact CG-CD2 4.04Å; F196-L252 HydrophobicContact CB-CD1 4.34Å; F196-L252 HydrophobicContact CD1-CD1 3.85Å; F196-L252 HydrophobicContact CD1-CD2 3.87Å; F196-L252 HydrophobicContact CD1-CG 4.43Å; F196-L252 HydrophobicContact CE1-CD1 4.49Å; F196-L252 HydrophobicContact CG-CD1 4.16Å; F196-I256 HydrophobicContact CE1-CD1 3.64Å; F196-I256 HydrophobicContact CE1-CG1 3.63Å; F196-I256 HydrophobicContact CZ-CD1 3.62Å; F196-I256 HydrophobicContact CZ-CG1 3.81Å |
| 197 | K | 98.3 | Very high | 96 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.7 | -70.5 | -177 | -69.6 | -163.5 | 0 | 112 | F193 H194 L200 N201 E251 L252 I255 | F193-K197 WeakPolarHBondContact O-CG 3.37Å; F193-K197 PolarHBondContact O-N 2.88Å; H194-K197 WeakPolarHBondContact O-CB 3.5Å; H194-K197 PolarHBondContact O-N 2.84Å; H194-K197 VanDerWaalsContact O-N 3.11Å; K197-L200 PolarHBondContact O-N 3Å; K197-N201 WeakPolarHBondContact O-CB 3.38Å; K197-N201 PolarHBondContact O-N 3.33Å; K197-E251 IonicContact NZ-OE1 3.09Å; K197-E251 PolarHBondContact NZ-OE1 2.82Å; K197-E251 IonicContact NZ-OE2 3.61Å; K197-E251 PolarHBondContact NZ-OE2 2.93Å; K197-L252 HydrophobicContact CD-CD2 4Å; K197-L252 HydrophobicContact CG-CD2 3.62Å; K197-I255 HydrophobicContact CD-CD1 3.55Å; K197-I255 HydrophobicContact CG-CD1 3.92Å |
| 198 | V | 97.7 | Very high | 96.2 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | H194 N195 N201 S202 | H194-V198 WeakPolarHBondContact O-CG2 3.29Å; H194-V198 PolarHBondContact O-N 2.97Å; N195-V198 PolarHBondContact O-N 3.45Å; V198-N201 PolarHBondContact O-N 2.92Å; V198-S202 PolarHBondContact O-N 2.95Å |
| 199 | F | 97.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 175.7 | 165.4 | -100.2 | 0 | 0 | 0 | 111.2 | W146 W148 N195 F196 N201 S202 T203 V213 F220 | W146-F199 AromaticContact CD1-CE2 3.47Å; W146-F199 VanDerWaalsContact CD1-CE2 3.47Å; W146-F199 AromaticContact CD1-CZ 3.71Å; W146-F199 HydrophobicContact CD2-CE1 4.38Å; W146-F199 HydrophobicContact CD2-CE2 4.23Å; W146-F199 AromaticContact CD2-CZ 3.7Å; W146-F199 HydrophobicContact CD2-CZ 3.7Å; W146-F199 AromaticContact CE2-CE2 3.7Å; W146-F199 AromaticContact CE2-CZ 3.45Å; W146-F199 VanDerWaalsContact CE2-CZ 3.45Å; W146-F199 HydrophobicContact CE3-CZ 4.38Å; W146-F199 HydrophobicContact CG-CE1 4.39Å; W146-F199 HydrophobicContact CG-CE2 4.11Å; W146-F199 AromaticContact CG-CZ 3.88Å; W146-F199 HydrophobicContact CG-CZ 3.88Å; W146-F199 HydrophobicContact CZ2-CE2 4.31Å; W146-F199 AromaticContact CZ2-CZ 3.94Å; W146-F199 HydrophobicContact CZ2-CZ 3.94Å; W146-F199 AromaticContact NE1-CE2 3.21Å; W146-F199 AromaticContact NE1-CZ 3.48Å; W148-F199 HydrophobicContact CH2-CB 4.39Å; W148-F199 AromaticContact CH2-CD1 3.64Å; W148-F199 HydrophobicContact CH2-CD1 3.64Å; W148-F199 HydrophobicContact CH2-CE1 4.09Å; W148-F199 AromaticContact CH2-CG 3.96Å; W148-F199 HydrophobicContact CH2-CG 3.96Å; W148-F199 HydrophobicContact CZ2-CB 3.68Å; W148-F199 AromaticContact CZ2-CD1 3.79Å; W148-F199 HydrophobicContact CZ2-CD1 3.79Å; W148-F199 HydrophobicContact CZ2-CD2 4.21Å; W148-F199 AromaticContact CZ2-CG 3.59Å; W148-F199 HydrophobicContact CZ2-CG 3.59Å; N195-F199 VanDerWaalsContact O-CB 3.32Å; N195-F199 WeakPolarHBondContact O-CB 3.29Å; N195-F199 PolarHBondContact O-N 3.37Å; F196-F199 WeakPolarHBondContact O-CB 3.28Å; F196-F199 PolarHBondContact O-N 3.14Å; F199-N201 VanDerWaalsContact C-N 3.3Å; F199-N201 PolarHBondContact O-N 3.49Å; F199-S202 WeakPolarHBondContact O-CA 3.49Å; F199-S202 WeakPolarHBondContact O-CB 3.39Å; F199-S202 PolarHBondContact O-N 3.15Å; F199-S202 PolarHBondContact O-OG 3.19Å; F199-T203 HydrophobicContact CE1-CG2 4.15Å; F199-T203 HydrophobicContact CE2-CG2 4.23Å; F199-T203 HydrophobicContact CZ-CG2 3.93Å; F199-T203 WeakPolarHBondContact O-CG2 3.28Å; F199-T203 PolarHBondContact O-N 3.08Å; F199-V213 HydrophobicContact CE1-CG1 4.17Å; F199-V213 HydrophobicContact CZ-CG1 3.78Å; F199-F220 HydrophobicContact CE1-CD1 4.36Å; F199-F220 AromaticContact CE1-CE1 3.62Å; F199-F220 HydrophobicContact CE1-CE1 3.62Å; F199-F220 HydrophobicContact CE1-CZ 4.41Å; F199-F220 HydrophobicContact CZ-CE1 4.24Å |
| 200 | L | 96.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | -179.4 | -165.3 | 69.6 | 0 | 0 | 0 | 111.4 | F196 K197 S202 T203 I255 Y259 F260 | F196-L200 HydrophobicContact CE1-CD2 4.49Å; F196-L200 PolarHBondContact O-N 3.09Å; K197-L200 PolarHBondContact O-N 3Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.13Å; L200-T203 WeakPolarHBondContact O-CB 3.28Å; L200-T203 PolarHBondContact O-N 3.01Å; L200-T203 VanDerWaalsContact O-N 3.16Å; L200-T203 PolarHBondContact O-OG1 3.45Å; L200-I255 HydrophobicContact CD2-CG2 3.48Å; L200-I255 VanDerWaalsContact CD2-CG2 3.48Å; L200-Y259 HydrophobicContact CD1-CD1 3.82Å; L200-Y259 HydrophobicContact CD1-CD2 3.91Å; L200-Y259 HydrophobicContact CD1-CE1 3.87Å; L200-Y259 HydrophobicContact CD1-CE2 3.9Å; L200-Y259 HydrophobicContact CD1-CG 3.87Å; L200-Y259 HydrophobicContact CD2-CD2 3.98Å; L200-Y259 HydrophobicContact CD2-CG 3.93Å; L200-Y259 HydrophobicContact CG-CD1 4.46Å; L200-Y259 HydrophobicContact CG-CD2 3.73Å; L200-Y259 HydrophobicContact CG-CE2 3.96Å; L200-Y259 HydrophobicContact CG-CG 4Å; L200-F260 HydrophobicContact CD1-CE2 4.48Å |
| 201 | N | 96.5 | Very high | 96.5 | Very high | 107 Ų | 107 | 58.9 Ų | 58.9 | 57% | 0.572 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.3 | -36.6 | 174.4 | -167.1 | 32.4 | 0 | 0 | 0 | 112.3 | K197 V198 F199 T203 L204 | K197-N201 WeakPolarHBondContact O-CB 3.38Å; K197-N201 PolarHBondContact O-N 3.33Å; V198-N201 PolarHBondContact O-N 2.92Å; F199-N201 VanDerWaalsContact C-N 3.3Å; F199-N201 PolarHBondContact O-N 3.49Å; N201-T203 PolarHBondContact O-N 2.87Å; N201-L204 WeakPolarHBondContact O-CB 3.35Å; N201-L204 PolarHBondContact O-N 3.09Å; N201-L204 VanDerWaalsContact O-N 3.11Å |
| 202 | S | 96.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -26.2 | 176.1 | 80.9 | 0 | 0 | 0 | 0 | 113.4 | V198 F199 L200 L204 T205 N206 | V198-S202 PolarHBondContact O-N 2.95Å; F199-S202 WeakPolarHBondContact O-CA 3.49Å; F199-S202 WeakPolarHBondContact O-CB 3.39Å; F199-S202 PolarHBondContact O-N 3.15Å; F199-S202 PolarHBondContact O-OG 3.19Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.13Å; S202-L204 VanDerWaalsContact C-N 3.27Å; S202-L204 PolarHBondContact O-N 3.22Å; S202-T205 PolarHBondContact O-N 3.48Å; S202-T205 PolarHBondContact O-OG1 3.16Å; S202-N206 VanDerWaalsContact O-CB 3.32Å; S202-N206 WeakPolarHBondContact O-CB 3.46Å; S202-N206 PolarHBondContact O-N 3.41Å; S202-N206 VanDerWaalsContact O-N 3.11Å |
| 203 | T | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.6 | -26.2 | 175.2 | 71.5 | 0 | 0 | 0 | 0 | 112.3 | F199 L200 N201 T205 L209 N210 V213 Y259 | F199-T203 HydrophobicContact CE1-CG2 4.15Å; F199-T203 HydrophobicContact CE2-CG2 4.23Å; F199-T203 HydrophobicContact CZ-CG2 3.93Å; F199-T203 WeakPolarHBondContact O-CG2 3.28Å; F199-T203 PolarHBondContact O-N 3.08Å; L200-T203 WeakPolarHBondContact O-CB 3.28Å; L200-T203 PolarHBondContact O-N 3.01Å; L200-T203 VanDerWaalsContact O-N 3.16Å; L200-T203 PolarHBondContact O-OG1 3.45Å; N201-T203 PolarHBondContact O-N 2.87Å; T203-T205 PolarHBondContact O-N 2.87Å; T203-L209 HydrophobicContact CG2-CB 4.24Å; T203-N210 WeakPolarHBondContact O-CB 3.12Å; T203-V213 HydrophobicContact CG2-CG1 4.16Å; T203-V213 HydrophobicContact CG2-CG2 4.35Å; T203-Y259 WeakPolarHBondContact CB-OH 3.42Å; T203-Y259 WeakPolarHBondContact OG1-CE2 3.34Å; T203-Y259 VanDerWaalsContact OG1-CZ 3.26Å; T203-Y259 PolarHBondContact OG1-OH 3.42Å |
| 204 | L | 95.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 59% | 0.586 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.3 | -26.6 | 178.6 | -64.1 | 174.3 | 0 | 0 | 0 | 112.4 | N201 S202 Y259 | N201-L204 WeakPolarHBondContact O-CB 3.35Å; N201-L204 PolarHBondContact O-N 3.09Å; N201-L204 VanDerWaalsContact O-N 3.11Å; S202-L204 VanDerWaalsContact C-N 3.27Å; S202-L204 PolarHBondContact O-N 3.22Å; L204-Y259 HydrophobicContact CD2-CD2 4.01Å; L204-Y259 HydrophobicContact CD2-CE2 3.45Å; L204-Y259 VanDerWaalsContact CD2-CE2 3.45Å; L204-Y259 HydrophobicContact CG-CE2 3.97Å |
| 205 | T | 95.5 | Very high | 96.3 | Very high | 125 Ų | 125 | 58.7 Ų | 58.7 | 77% | 0.767 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -103.2 | -15.6 | -179.9 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | S202 T203 | S202-T205 PolarHBondContact O-N 3.48Å; S202-T205 PolarHBondContact O-OG1 3.16Å; T203-T205 PolarHBondContact O-N 2.87Å |
| 206 | N | 96.4 | Very high | 96.2 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | trans | -111.5 | 100.8 | -179.5 | -175.1 | -31.4 | 0 | 0 | 0 | 111.1 | S202 T208 L209 N210 | S202-N206 VanDerWaalsContact O-CB 3.32Å; S202-N206 WeakPolarHBondContact O-CB 3.46Å; S202-N206 PolarHBondContact O-N 3.41Å; S202-N206 VanDerWaalsContact O-N 3.11Å; N206-T208 PolarHBondContact O-N 2.97Å; N206-T208 WeakPolarHBondContact OD1-CB 3.43Å; N206-T208 PolarHBondContact OD1-N 3.17Å; N206-T208 VanDerWaalsContact OD1-N 3.08Å; N206-L209 HydrophobicContact CB-CB 4.08Å; N206-L209 HydrophobicContact CB-CD1 4.02Å; N206-L209 HydrophobicContact CB-CG 4.23Å; N206-L209 WeakPolarHBondContact ND2-CD1 3.39Å; N206-L209 PolarHBondContact O-N 3.31Å; N206-L209 VanDerWaalsContact O-N 3.15Å; N206-L209 PolarHBondContact OD1-N 2.93Å; N206-L209 VanDerWaalsContact OD1-N 3.09Å; N206-N210 WeakPolarHBondContact O-CB 3.47Å; N206-N210 PolarHBondContact O-N 2.89Å | ||
| 207 | E | 94.5 | Very high | 96.1 | Very high | 170 Ų | 170 | 63.4 Ų | 63.4 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.2 | -33.9 | -178.5 | -66 | -174.3 | 171.7 | 0 | 0 | 113.7 | S211 | E207-S211 WeakPolarHBondContact O-CB 3.31Å; E207-S211 PolarHBondContact O-N 2.98Å |
| 208 | T | 94.7 | Very high | 96 | Very high | 100 Ų | 100 | 60.6 Ų | 60.6 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.5 | -48 | 178.6 | -59 | 0 | 0 | 0 | 0 | 110.5 | N206 N210 S211 M212 | N206-T208 PolarHBondContact O-N 2.97Å; N206-T208 WeakPolarHBondContact OD1-CB 3.43Å; N206-T208 PolarHBondContact OD1-N 3.17Å; N206-T208 VanDerWaalsContact OD1-N 3.08Å; T208-N210 VanDerWaalsContact C-N 3.33Å; T208-N210 PolarHBondContact O-N 3.11Å; T208-S211 PolarHBondContact O-N 2.66Å; T208-M212 HydrophobicContact CG2-SD 4.13Å; T208-M212 VanDerWaalsContact O-CG 3.23Å; T208-M212 WeakPolarHBondContact O-CG 3.09Å; T208-M212 PolarHBondContact O-N 3.24Å |
| 209 | L | 94.2 | Very high | 96 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.8 | -72.3 | 176.5 | 0 | 0 | 0 | 111.3 | W146 T203 N206 S211 M212 V213 | W146-L209 HydrophobicContact CZ2-CD2 4.44Å; T203-L209 HydrophobicContact CG2-CB 4.24Å; N206-L209 HydrophobicContact CB-CB 4.08Å; N206-L209 HydrophobicContact CB-CD1 4.02Å; N206-L209 HydrophobicContact CB-CG 4.23Å; N206-L209 WeakPolarHBondContact ND2-CD1 3.39Å; N206-L209 PolarHBondContact O-N 3.31Å; N206-L209 VanDerWaalsContact O-N 3.15Å; N206-L209 PolarHBondContact OD1-N 2.93Å; N206-L209 VanDerWaalsContact OD1-N 3.09Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.36Å; L209-M212 HydrophobicContact CD2-SD 4.25Å; L209-M212 WeakPolarHBondContact O-CB 3.44Å; L209-M212 PolarHBondContact O-N 3.1Å; L209-M212 VanDerWaalsContact O-N 3.13Å; L209-V213 PolarHBondContact O-N 3.29Å |
| 210 | N | 96 | Very high | 96 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.8 | -48 | 175.6 | -163.8 | 28.7 | 0 | 0 | 0 | 111.7 | T203 N206 T208 M212 V213 H214 Y259 | T203-N210 WeakPolarHBondContact O-CB 3.12Å; N206-N210 WeakPolarHBondContact O-CB 3.47Å; N206-N210 PolarHBondContact O-N 2.89Å; T208-N210 VanDerWaalsContact C-N 3.33Å; T208-N210 PolarHBondContact O-N 3.11Å; N210-M212 VanDerWaalsContact C-N 3.29Å; N210-M212 PolarHBondContact O-N 3.22Å; N210-V213 VanDerWaalsContact O-CG2 3.27Å; N210-V213 WeakPolarHBondContact O-CG2 3.36Å; N210-V213 PolarHBondContact O-N 3.48Å; N210-H214 PolarHBondContact O-N 3.46Å; N210-H214 PolarHBondContact O-ND1 3.36Å; N210-H214 PolarHBondContact OD1-CE1 2.87Å; N210-H214 PolarHBondContact OD1-ND1 2.92Å; N210-H214 VanDerWaalsContact OD1-ND1 3.14Å; N210-Y259 PolarHBondContact OD1-OH 3.29Å |
| 211 | S | 96.2 | Very high | 96 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | E207 T208 L209 Q215 | E207-S211 WeakPolarHBondContact O-CB 3.31Å; E207-S211 PolarHBondContact O-N 2.98Å; T208-S211 PolarHBondContact O-N 2.66Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.36Å; S211-Q215 WeakPolarHBondContact O-CG 3.17Å; S211-Q215 PolarHBondContact O-NE2 3.3Å; S211-Q215 VanDerWaalsContact O-NE2 3.12Å |
| 212 | M | 95.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.4 | -45.1 | 177.6 | -69.5 | 167.1 | 64.9 | 0 | 0 | 112.3 | Y144 W146 F170 T208 L209 N210 H214 Q215 I218 | Y144-M212 HydrophobicContact CD1-CE 3.66Å; Y144-M212 HydrophobicContact CD2-CB 4Å; Y144-M212 HydrophobicContact CD2-CE 4.24Å; Y144-M212 HydrophobicContact CD2-CG 4.33Å; Y144-M212 HydrophobicContact CE1-CE 3.59Å; Y144-M212 HydrophobicContact CE2-CB 4.02Å; Y144-M212 HydrophobicContact CE2-CE 4.18Å; Y144-M212 HydrophobicContact CE2-CG 3.88Å; Y144-M212 HydrophobicContact CG-CE 4Å; W146-M212 HydrophobicContact CH2-CB 3.98Å; W146-M212 HydrophobicContact CH2-CE 4.33Å; W146-M212 HydrophobicContact CZ2-CB 4.35Å; W146-M212 HydrophobicContact CZ2-CE 3.99Å; F170-M212 HydrophobicContact CE2-CE 3.52Å; F170-M212 HydrophobicContact CZ-CE 3.66Å; T208-M212 HydrophobicContact CG2-SD 4.13Å; T208-M212 VanDerWaalsContact O-CG 3.23Å; T208-M212 WeakPolarHBondContact O-CG 3.09Å; T208-M212 PolarHBondContact O-N 3.24Å; L209-M212 HydrophobicContact CD2-SD 4.25Å; L209-M212 WeakPolarHBondContact O-CB 3.44Å; L209-M212 PolarHBondContact O-N 3.1Å; L209-M212 VanDerWaalsContact O-N 3.13Å; N210-M212 VanDerWaalsContact C-N 3.29Å; N210-M212 PolarHBondContact O-N 3.22Å; M212-H214 VanDerWaalsContact C-N 3.29Å; M212-H214 PolarHBondContact O-N 3Å; M212-Q215 PolarHBondContact O-N 2.93Å; M212-I218 VanDerWaalsContact O-CD1 3.25Å; M212-I218 WeakPolarHBondContact O-CD1 3.35Å |
| 213 | V | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.3 | -22 | -177.2 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | R47 W146 F199 T203 L209 N210 F220 Y259 F260 | R47-V213 WeakPolarHBondContact CD-O 3.4Å; W146-V213 HydrophobicContact CH2-CG1 3.59Å; W146-V213 HydrophobicContact CZ2-CG1 4.05Å; W146-V213 HydrophobicContact CZ3-CG1 3.9Å; F199-V213 HydrophobicContact CE1-CG1 4.17Å; F199-V213 HydrophobicContact CZ-CG1 3.78Å; T203-V213 HydrophobicContact CG2-CG1 4.16Å; T203-V213 HydrophobicContact CG2-CG2 4.35Å; L209-V213 PolarHBondContact O-N 3.29Å; N210-V213 VanDerWaalsContact O-CG2 3.27Å; N210-V213 WeakPolarHBondContact O-CG2 3.36Å; N210-V213 PolarHBondContact O-N 3.48Å; V213-F220 HydrophobicContact CB-CZ 4.26Å; V213-F220 HydrophobicContact CG1-CE1 4.32Å; V213-F220 HydrophobicContact CG1-CZ 4.05Å; V213-Y259 HydrophobicContact CG2-CE1 4.45Å; V213-F260 HydrophobicContact CB-CE1 4.34Å; V213-F260 HydrophobicContact CB-CZ 4.25Å; V213-F260 HydrophobicContact CG2-CE1 4.18Å; V213-F260 HydrophobicContact CG2-CZ 4.34Å |
| 214 | H | 96.6 | Very high | 96 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5.8 | 177.4 | -72.9 | 88.5 | 0 | 0 | 0 | 114.4 | N210 M212 Y259 F260 | N210-H214 PolarHBondContact O-N 3.46Å; N210-H214 PolarHBondContact O-ND1 3.36Å; N210-H214 PolarHBondContact OD1-CE1 2.87Å; N210-H214 PolarHBondContact OD1-ND1 2.92Å; N210-H214 VanDerWaalsContact OD1-ND1 3.14Å; M212-H214 VanDerWaalsContact C-N 3.29Å; M212-H214 PolarHBondContact O-N 3Å; H214-Y259 AromaticContact CE1-CE1 3.64Å; H214-Y259 AromaticContact CE1-CZ 3.96Å; H214-F260 AromaticContact CD2-CD1 3.92Å; H214-F260 AromaticContact NE2-CD1 3.67Å; H214-F260 AromaticContact NE2-CE1 3.94Å |
| 215 | Q | 95.7 | Very high | 95.9 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -82.7 | -178 | 174.1 | -73.2 | 173.3 | 47 | 0 | 0 | 112 | S211 M212 I218 | S211-Q215 WeakPolarHBondContact O-CG 3.17Å; S211-Q215 PolarHBondContact O-NE2 3.3Å; S211-Q215 VanDerWaalsContact O-NE2 3.12Å; M212-Q215 PolarHBondContact O-N 2.93Å; Q215-I218 HydrophobicContact CB-CD1 4.2Å; Q215-I218 HydrophobicContact CB-CG1 4.48Å; Q215-I218 WeakPolarHBondContact O-CG1 3.45Å |
| 216 | N | 94.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 31% | 0.31 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -91.8 | 162.7 | 174.1 | 68.4 | -10.8 | 0 | 0 | 0 | 112.6 | D46 R143 I218 | D46-N216 HydrophobicContact CB-CB 4.38Å; D46-N216 CarbonylContact O-C 3.29Å; D46-N216 WeakPolarHBondContact OD1-CB 3.19Å; R143-N216 VanDerWaalsContact CB-O 3.27Å; R143-N216 WeakPolarHBondContact CB-O 3.3Å; R143-N216 VanDerWaalsContact CZ-OD1 3.26Å; R143-N216 PolarHBondContact NE-OD1 2.94Å; R143-N216 PolarHBondContact NH2-OD1 3.34Å; N216-I218 VanDerWaalsContact C-N 3.32Å |
| 217 | K | 95.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 35.1 Ų | 35.1 | 27% | 0.274 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 61 | 38.6 | -179.1 | -51.2 | -178.6 | -174.4 | -161.1 | 0 | 113.1 | D46 S142 R143 I304 G305 | D46-K217 PolarHBondContact O-N 3.48Å; S142-K217 WeakPolarHBondContact CB-O 3.39Å; R143-K217 HydrophobicContact CB-CB 4.01Å; R143-K217 PolarHBondContact N-O 3.44Å; K217-I304 HydrophobicContact CB-CD1 4.39Å; K217-I304 WeakPolarHBondContact CG-O 3.15Å; K217-G305 WeakPolarHBondContact CE-O 3.44Å; K217-G305 PolarHBondContact NZ-O 2.81Å |
| 218 | I | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.5 | -177.7 | -60.1 | -60.3 | 0 | 0 | 0 | 109.8 | D46 R47 L48 Y144 W146 M212 Q215 N216 F220 | D46-I218 PolarHBondContact O-N 3.36Å; R47-I218 CarbonylContact C-O 3.58Å; R47-I218 WeakPolarHBondContact CA-O 3.4Å; R47-I218 HydrophobicContact CB-CB 4.4Å; R47-I218 HydrophobicContact CG-CB 3.63Å; R47-I218 HydrophobicContact CG-CG1 4.27Å; R47-I218 HydrophobicContact CG-CG2 3.87Å; L48-I218 PolarHBondContact N-O 3.39Å; Y144-I218 HydrophobicContact CD2-CD1 3.83Å; Y144-I218 HydrophobicContact CG-CD1 4.33Å; Y144-I218 WeakPolarHBondContact O-CA 3.34Å; W146-I218 HydrophobicContact CE3-CG2 4.46Å; W146-I218 HydrophobicContact CZ3-CG2 3.92Å; M212-I218 VanDerWaalsContact O-CD1 3.25Å; M212-I218 WeakPolarHBondContact O-CD1 3.35Å; Q215-I218 HydrophobicContact CB-CD1 4.2Å; Q215-I218 HydrophobicContact CB-CG1 4.48Å; Q215-I218 WeakPolarHBondContact O-CG1 3.45Å; N216-I218 VanDerWaalsContact C-N 3.32Å; I218-F220 HydrophobicContact CG2-CD2 4.49Å; I218-F220 HydrophobicContact CG2-CE1 4.43Å; I218-F220 HydrophobicContact CG2-CE2 3.88Å; I218-F220 HydrophobicContact CG2-CZ 3.85Å |
| 219 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.7 | -179.7 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | L48 F138 L139 Y144 T145 W146 I304 | L48-V219 HydrophobicContact CD2-CG1 4.31Å; L48-V219 CarbonylContact O-C 3.59Å; L48-V219 WeakPolarHBondContact O-CA 3.29Å; F138-V219 HydrophobicContact CE1-CB 4.4Å; F138-V219 HydrophobicContact CE1-CG1 3.93Å; F138-V219 HydrophobicContact CE1-CG2 3.53Å; F138-V219 HydrophobicContact CE2-CG2 4.49Å; F138-V219 HydrophobicContact CZ-CG2 3.48Å; F138-V219 VanDerWaalsContact CZ-CG2 3.48Å; L139-V219 HydrophobicContact CD2-CG1 3.88Å; Y144-V219 PolarHBondContact O-N 2.7Å; T145-V219 CarbonylContact C-O 3.24Å; T145-V219 VanDerWaalsContact CA-O 3.29Å; T145-V219 WeakPolarHBondContact CA-O 3.01Å; T145-V219 HydrophobicContact CG2-CB 4.31Å; T145-V219 HydrophobicContact CG2-CG1 4.35Å; W146-V219 PolarHBondContact N-O 2.82Å; V219-I304 HydrophobicContact CG2-CD1 3.75Å |
| 220 | F | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112.5 | 165.6 | -59.8 | -66.1 | 0 | 0 | 0 | 107.9 | R47 L48 V49 L50 W146 W148 F196 F199 V213 I218 L222 F260 | R47-F220 HydrophobicContact CG-CE2 4.46Å; L48-F220 PolarHBondContact O-N 3.09Å; V49-F220 CarbonylContact C-O 3.44Å; V49-F220 WeakPolarHBondContact CA-O 3.25Å; V49-F220 HydrophobicContact CG1-CB 4.41Å; V49-F220 HydrophobicContact CG2-CB 4.42Å; V49-F220 HydrophobicContact CG2-CD2 4.09Å; L50-F220 PolarHBondContact N-O 3.26Å; W146-F220 HydrophobicContact CB-CD1 4.18Å; W146-F220 HydrophobicContact CD2-CE1 4.14Å; W146-F220 HydrophobicContact CE3-CD1 4.06Å; W146-F220 AromaticContact CE3-CE1 3.55Å; W146-F220 HydrophobicContact CE3-CE1 3.55Å; W146-F220 HydrophobicContact CE3-CZ 4.36Å; W146-F220 HydrophobicContact CZ3-CE1 4.09Å; W146-F220 HydrophobicContact CZ3-CZ 4.5Å; W148-F220 HydrophobicContact CH2-CD1 4.16Å; W148-F220 HydrophobicContact CZ3-CB 4.46Å; W148-F220 HydrophobicContact CZ3-CD1 4.09Å; F196-F220 HydrophobicContact CE2-CB 3.91Å; F196-F220 AromaticContact CE2-CD1 3.82Å; F196-F220 HydrophobicContact CE2-CD1 3.82Å; F196-F220 HydrophobicContact CE2-CD2 4.47Å; F196-F220 HydrophobicContact CE2-CE1 4.5Å; F196-F220 AromaticContact CE2-CG 3.8Å; F196-F220 HydrophobicContact CE2-CG 3.8Å; F196-F220 HydrophobicContact CZ-CG 4.43Å; F199-F220 HydrophobicContact CE1-CD1 4.36Å; F199-F220 AromaticContact CE1-CE1 3.62Å; F199-F220 HydrophobicContact CE1-CE1 3.62Å; F199-F220 HydrophobicContact CE1-CZ 4.41Å; F199-F220 HydrophobicContact CZ-CE1 4.24Å; V213-F220 HydrophobicContact CB-CZ 4.26Å; V213-F220 HydrophobicContact CG1-CE1 4.32Å; V213-F220 HydrophobicContact CG1-CZ 4.05Å; I218-F220 HydrophobicContact CG2-CD2 4.49Å; I218-F220 HydrophobicContact CG2-CE1 4.43Å; I218-F220 HydrophobicContact CG2-CE2 3.88Å; I218-F220 HydrophobicContact CG2-CZ 3.85Å; F220-L222 HydrophobicContact CB-CD1 4.2Å; F220-F260 HydrophobicContact CE2-CE2 4.3Å; F220-F260 HydrophobicContact CE2-CZ 4.18Å; F220-F260 HydrophobicContact CZ-CZ 4.29Å |
| 221 | F | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.2 | 178.4 | -165.1 | -44.6 | 0 | 0 | 0 | 109.1 | L50 V52 H110 I114 L139 W146 F147 W148 | L50-F221 HydrophobicContact CD2-CD2 3.66Å; L50-F221 HydrophobicContact CD2-CE1 4.28Å; L50-F221 HydrophobicContact CD2-CE2 3.37Å; L50-F221 HydrophobicContact CD2-CG 4.21Å; L50-F221 HydrophobicContact CD2-CZ 3.7Å; L50-F221 HydrophobicContact CG-CE2 4.45Å; L50-F221 HydrophobicContact CG-CZ 4.48Å; V52-F221 HydrophobicContact CB-CE1 4.2Å; V52-F221 HydrophobicContact CB-CZ 4.41Å; V52-F221 HydrophobicContact CG2-CE1 3.7Å; V52-F221 HydrophobicContact CG2-CZ 3.59Å; H110-F221 AromaticContact CE1-CZ 3.85Å; H110-F221 AromaticContact ND1-CZ 3.79Å; I114-F221 HydrophobicContact CD1-CD2 4.44Å; I114-F221 HydrophobicContact CD1-CE2 3.43Å; I114-F221 VanDerWaalsContact CD1-CE2 3.43Å; I114-F221 HydrophobicContact CD1-CZ 3.94Å; I114-F221 HydrophobicContact CG1-CE2 3.67Å; I114-F221 HydrophobicContact CG1-CZ 4.37Å; L139-F221 HydrophobicContact CD1-CD2 4.22Å; L139-F221 HydrophobicContact CD2-CD2 4.27Å; W146-F221 PolarHBondContact O-N 3.08Å; F147-F221 WeakPolarHBondContact CA-O 3.45Å; F147-F221 HydrophobicContact CB-CB 4.12Å; F147-F221 HydrophobicContact CD1-CG 4.47Å; F147-F221 HydrophobicContact CD2-CB 3.65Å; F147-F221 AromaticContact CD2-CD1 3.52Å; F147-F221 HydrophobicContact CD2-CD1 3.52Å; F147-F221 HydrophobicContact CD2-CD2 4.33Å; F147-F221 HydrophobicContact CD2-CE1 4.33Å; F147-F221 AromaticContact CD2-CG 3.56Å; F147-F221 HydrophobicContact CD2-CG 3.56Å; F147-F221 HydrophobicContact CE1-CD2 4.36Å; F147-F221 HydrophobicContact CE1-CG 4.48Å; F147-F221 HydrophobicContact CE2-CB 4.24Å; F147-F221 AromaticContact CE2-CD1 3.22Å; F147-F221 HydrophobicContact CE2-CD1 3.22Å; F147-F221 HydrophobicContact CE2-CD2 4.2Å; F147-F221 AromaticContact CE2-CE1 3.59Å; F147-F221 HydrophobicContact CE2-CE1 3.59Å; F147-F221 HydrophobicContact CE2-CE2 4.46Å; F147-F221 AromaticContact CE2-CG 3.62Å; F147-F221 HydrophobicContact CE2-CG 3.62Å; F147-F221 HydrophobicContact CE2-CZ 4.21Å; F147-F221 HydrophobicContact CG-CB 3.89Å; F147-F221 HydrophobicContact CG-CD1 4.43Å; F147-F221 HydrophobicContact CG-CG 4.04Å; F147-F221 AromaticContact CZ-CD1 3.89Å; F147-F221 HydrophobicContact CZ-CD1 3.89Å; F147-F221 HydrophobicContact CZ-CD2 4.2Å; F147-F221 AromaticContact CZ-CE1 3.93Å; F147-F221 HydrophobicContact CZ-CE1 3.93Å; F147-F221 HydrophobicContact CZ-CE2 4.2Å; F147-F221 HydrophobicContact CZ-CG 4.09Å; F147-F221 HydrophobicContact CZ-CZ 4.09Å; W148-F221 PolarHBondContact N-O 3.09Å |
| 222 | L | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 104.8 | 173.8 | -62.3 | 91.8 | 0 | 0 | 0 | 108.9 | V49 L50 F51 V52 W148 V192 F193 F196 F220 L252 | V49-L222 HydrophobicContact CG1-CD1 3.84Å; L50-L222 PolarHBondContact O-N 2.83Å; F51-L222 WeakPolarHBondContact CA-O 3.4Å; F51-L222 HydrophobicContact CD1-CB 3.87Å; F51-L222 HydrophobicContact CD1-CD1 4.38Å; F51-L222 HydrophobicContact CD1-CD2 4.44Å; F51-L222 HydrophobicContact CD1-CG 4.46Å; F51-L222 HydrophobicContact CE1-CB 4.17Å; F51-L222 HydrophobicContact CE1-CD1 4.05Å; F51-L222 HydrophobicContact CE1-CD2 3.91Å; F51-L222 HydrophobicContact CE1-CG 4.27Å; V52-L222 PolarHBondContact N-O 3.39Å; V52-L222 VanDerWaalsContact N-O 3.08Å; W148-L222 HydrophobicContact CE3-CG 4.43Å; V192-L222 HydrophobicContact CG1-CB 3.82Å; V192-L222 HydrophobicContact CG1-CD2 3.91Å; V192-L222 HydrophobicContact CG1-CG 4.14Å; F193-L222 HydrophobicContact CD1-CD2 4.36Å; F196-L222 HydrophobicContact CB-CD2 3.97Å; F196-L222 HydrophobicContact CD2-CD1 4.21Å; F196-L222 HydrophobicContact CD2-CD2 4.08Å; F196-L222 HydrophobicContact CD2-CG 4.44Å; F196-L222 HydrophobicContact CE2-CD1 4.42Å; F196-L222 HydrophobicContact CG-CD2 4.04Å; F220-L222 HydrophobicContact CB-CD1 4.2Å; L222-L252 HydrophobicContact CD2-CD1 3.56Å |
| 223 | Y | 96.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.1 | 171.7 | 167.7 | -75.2 | 0 | 0 | 0 | 108.9 | D54 H110 W148 N150 V153 V192 | D54-Y223 HydrophobicContact CB-CE2 4.03Å; D54-Y223 WeakPolarHBondContact OD2-CE2 3.47Å; D54-Y223 PolarHBondContact OD2-OH 2.87Å; H110-Y223 AromaticContact CD2-CE2 3.99Å; H110-Y223 AromaticContact CE1-CD2 3.52Å; H110-Y223 AromaticContact CE1-CE2 3.95Å; H110-Y223 AromaticContact NE2-CD2 3.26Å; H110-Y223 VanDerWaalsContact NE2-CD2 3.26Å; H110-Y223 WeakPolarHBondContact NE2-CD2 3.39Å; H110-Y223 AromaticContact NE2-CE2 3.2Å; H110-Y223 WeakPolarHBondContact NE2-CE2 3.47Å; W148-Y223 WeakPolarHBondContact O-CB 3.48Å; W148-Y223 PolarHBondContact O-N 2.95Å; N150-Y223 HydrophobicContact CB-CD1 3.77Å; N150-Y223 HydrophobicContact CB-CE1 3.3Å; N150-Y223 HydrophobicContact CB-CE2 4.3Å; N150-Y223 HydrophobicContact CB-CG 4.44Å; N150-Y223 VanDerWaalsContact N-CD1 3.32Å; V153-Y223 HydrophobicContact CB-CE2 4.5Å; V153-Y223 HydrophobicContact CG1-CD2 4.42Å; V153-Y223 HydrophobicContact CG2-CD2 4.37Å; V153-Y223 HydrophobicContact CG2-CE2 3.88Å; V192-Y223 WeakPolarHBondContact CG2-O 3.48Å |
| 224 | L | 96.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 106.9 | -175.1 | -55.1 | 177.1 | 0 | 0 | 0 | 108.4 | F51 V52 A53 D54 D189 V192 F193 V245 | F51-L224 HydrophobicContact CB-CD1 4.48Å; F51-L224 HydrophobicContact CD1-CD1 4.32Å; V52-L224 WeakPolarHBondContact O-CB 3.49Å; V52-L224 PolarHBondContact O-N 3.33Å; A53-L224 WeakPolarHBondContact CA-O 3.38Å; D54-L224 PolarHBondContact N-O 3.48Å; D189-L224 HydrophobicContact CB-CD2 4.12Å; D189-L224 WeakPolarHBondContact OD1-CA 3.26Å; D189-L224 WeakPolarHBondContact OD1-CB 3.37Å; V192-L224 HydrophobicContact CB-CD2 4.24Å; V192-L224 HydrophobicContact CG1-CD2 3.9Å; F193-L224 HydrophobicContact CD1-CD2 4.37Å; F193-L224 HydrophobicContact CE1-CD1 4.16Å; F193-L224 HydrophobicContact CE1-CD2 3.66Å; F193-L224 HydrophobicContact CE2-CD2 4.42Å; F193-L224 HydrophobicContact CZ-CD1 3.9Å; F193-L224 HydrophobicContact CZ-CD2 3.69Å; F193-L224 HydrophobicContact CZ-CG 4.48Å; L224-V245 HydrophobicContact CD1-CG1 3.74Å; L224-V245 HydrophobicContact CD1-CG2 4.32Å |
| 225 | G | 92.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | trans | -99.5 | -6.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | D189 V227 D228 E229 | D189-G225 PolarHBondContact OD1-N 3.43Å; G225-V227 VanDerWaalsContact C-N 3.27Å; G225-V227 PolarHBondContact O-N 2.87Å; G225-D228 PolarHBondContact O-N 3.12Å; G225-E229 PolarHBondContact O-N 2.63Å; G225-E229 VanDerWaalsContact O-N 3.16Å | ||
| 226 | T | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -34.9 | -173.9 | -66.7 | 0 | 0 | 0 | 0 | 113.3 | P185 Y186 D189 I230 A241 M244 | P185-T226 HydrophobicContact CB-CG2 4.43Å; P185-T226 WeakPolarHBondContact O-CB 3.31Å; P185-T226 PolarHBondContact O-OG1 3.34Å; Y186-T226 HydrophobicContact CD1-CG2 3.96Å; Y186-T226 HydrophobicContact CG-CG2 4.32Å; D189-T226 VanDerWaalsContact CG-CB 3.49Å; D189-T226 PolarHBondContact N-OG1 3.01Å; D189-T226 PolarHBondContact OD1-N 3.3Å; D189-T226 VanDerWaalsContact OD1-N 3.08Å; D189-T226 PolarHBondContact OD1-OG1 3.08Å; D189-T226 VanDerWaalsContact OD2-CB 3.29Å; D189-T226 WeakPolarHBondContact OD2-CB 3.43Å; D189-T226 PolarHBondContact OD2-OG1 2.82Å; T226-I230 HydrophobicContact CG2-CD1 3.9Å; T226-I230 WeakPolarHBondContact O-CG1 3.29Å; T226-I230 PolarHBondContact O-N 3.36Å; T226-I230 VanDerWaalsContact O-N 3.16Å; T226-A241 HydrophobicContact CG2-CB 3.81Å; T226-M244 HydrophobicContact CG2-CE 3.88Å |
| 227 | V | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.5 | -44.5 | -174.3 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | D54 L56 G225 G231 Y238 A241 V245 | D54-V227 WeakPolarHBondContact O-CB 3.45Å; L56-V227 HydrophobicContact CB-CG1 4.03Å; L56-V227 HydrophobicContact CD1-CG1 4.28Å; G225-V227 VanDerWaalsContact C-N 3.27Å; G225-V227 PolarHBondContact O-N 2.87Å; V227-G231 PolarHBondContact O-N 3.16Å; V227-Y238 HydrophobicContact CB-CE2 4.45Å; V227-Y238 HydrophobicContact CG1-CD2 4.13Å; V227-Y238 HydrophobicContact CG1-CE1 4.25Å; V227-Y238 HydrophobicContact CG1-CE2 3.26Å; V227-Y238 VanDerWaalsContact CG1-OH 3.28Å; V227-Y238 WeakPolarHBondContact CG1-OH 3.34Å; V227-Y238 WeakPolarHBondContact O-CE2 3.23Å; V227-A241 HydrophobicContact CG2-CB 4.09Å; V227-V245 HydrophobicContact CG2-CG2 4.43Å |
| 228 | D | 92.2 | Very high | 92 | Very high | 31 Ų | 31 | 28 Ų | 28 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.6 | -164.7 | 54.6 | 0 | 0 | 0 | 111.5 | D54 G225 I230 G231 H273 H281 | D54-D228 HydrophobicContact CB-CB 4.03Å; D54-D228 PolarHBondContact O-N 3.05Å; D54-D228 VanDerWaalsContact O-N 3.1Å; G225-D228 PolarHBondContact O-N 3.12Å; D228-I230 VanDerWaalsContact C-N 3.25Å; D228-I230 PolarHBondContact O-N 3.43Å; D228-G231 VanDerWaalsContact O-CA 3.3Å; D228-G231 WeakPolarHBondContact O-CA 3.42Å; D228-G231 PolarHBondContact O-N 2.91Å; D228-H273 IonicContact OD1-CE1 2.8Å; D228-H273 PolarHBondContact OD1-CE1 2.86Å; D228-H281 IonicContact OD1-CD2 3.15Å; D228-H281 IonicContact OD1-NE2 3.77Å |
| 229 | E | 88.4 | Confident | 91.7 | Very high | 83 Ų | 83 | 28.4 Ų | 28.4 | 39% | 0.388 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.7 | -32.6 | -179.9 | -170.7 | 62.3 | -149.1 | 0 | 0 | 113.2 | P185 L188 G225 | P185-E229 HydrophobicContact CB-CB 3.97Å; P185-E229 HydrophobicContact CB-CG 3.63Å; L188-E229 HydrophobicContact CD1-CB 4.22Å; L188-E229 HydrophobicContact CD1-CG 4.27Å; G225-E229 PolarHBondContact O-N 2.63Å; G225-E229 VanDerWaalsContact O-N 3.16Å |
| 230 | I | 89.6 | Confident | 91.5 | Very high | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.3 | -36.3 | 173.8 | -72 | 169.4 | 0 | 0 | 0 | 111.3 | P185 Y186 T226 D228 Q232 M237 Y238 A241 | P185-I230 HydrophobicContact CB-CG1 4.15Å; P185-I230 HydrophobicContact CG-CD1 4.25Å; P185-I230 HydrophobicContact CG-CG1 3.6Å; Y186-I230 HydrophobicContact CE1-CD1 4.01Å; T226-I230 HydrophobicContact CG2-CD1 3.9Å; T226-I230 WeakPolarHBondContact O-CG1 3.29Å; T226-I230 PolarHBondContact O-N 3.36Å; T226-I230 VanDerWaalsContact O-N 3.16Å; D228-I230 VanDerWaalsContact C-N 3.25Å; D228-I230 PolarHBondContact O-N 3.43Å; I230-Q232 HydrophobicContact CG2-CB 4.21Å; I230-Q232 WeakPolarHBondContact O-CG 3.46Å; I230-Q232 PolarHBondContact O-N 3.47Å; I230-M237 HydrophobicContact CG2-CB 4.11Å; I230-Y238 HydrophobicContact CG2-CD2 4.24Å; I230-A241 HydrophobicContact CD1-CB 3.5Å; I230-A241 VanDerWaalsContact CD1-CB 3.5Å |
| 231 | G | 85.8 | Confident | 91.3 | Very high | 19 Ų | 19 | 35 Ų | 35 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | trans | 56.1 | 23.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V227 D228 G279 | V227-G231 PolarHBondContact O-N 3.16Å; D228-G231 VanDerWaalsContact O-CA 3.3Å; D228-G231 WeakPolarHBondContact O-CA 3.42Å; D228-G231 PolarHBondContact O-N 2.91Å; G231-G279 WeakPolarHBondContact O-CA 3.5Å | ||
| 232 | Q | 86.5 | Confident | 91.2 | Very high | 95 Ų | 95 | 35.2 Ų | 35.2 | 44% | 0.444 | 17% | 0.174 | S | C | . | . | trans | -136.4 | 72.8 | -171.5 | -72.9 | 173.7 | 53.3 | 0 | 0 | 112.3 | I230 L234 T235 Y238 | I230-Q232 HydrophobicContact CG2-CB 4.21Å; I230-Q232 WeakPolarHBondContact O-CG 3.46Å; I230-Q232 PolarHBondContact O-N 3.47Å; Q232-L234 PolarHBondContact O-N 3.01Å; Q232-T235 HydrophobicContact CB-CG2 3.73Å; Q232-T235 WeakPolarHBondContact CB-OG1 3.37Å; Q232-T235 PolarHBondContact O-N 3.46Å; Q232-T235 PolarHBondContact O-OG1 3.33Å; Q232-Y238 WeakPolarHBondContact O-CB 3.34Å | ||
| 233 | P | 86.1 | Confident | 91 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -13.8 | -167.1 | -27.8 | 38.5 | 0 | 0 | 0 | 117.1 | Y238 M275 N276 | P233-Y238 HydrophobicContact CB-CD1 4.36Å; P233-Y238 HydrophobicContact CB-CE1 4.17Å; P233-Y238 HydrophobicContact CB-CE2 4.46Å; P233-Y238 HydrophobicContact CG-CE2 4.19Å; P233-M275 HydrophobicContact CG-CB 3.96Å; P233-M275 HydrophobicContact CG-CE 4.23Å; P233-N276 WeakPolarHBondContact CG-O 3.13Å |
| 234 | L | 86.7 | Confident | 90.9 | Very high | 119 Ų | 119 | 39.5 Ų | 39.5 | 62% | 0.623 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 6.4 | 179.4 | -60.3 | -176.4 | 0 | 0 | 0 | 113.5 | Q232 D277 | Q232-L234 PolarHBondContact O-N 3.01Å; L234-D277 HydrophobicContact CD1-CB 3.84Å; L234-D277 HydrophobicContact CG-CB 4.24Å |
| 235 | T | 89 | Confident | 90.9 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -105.2 | 152.5 | -176.3 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | Q232 M237 Y238 D239 | Q232-T235 HydrophobicContact CB-CG2 3.73Å; Q232-T235 WeakPolarHBondContact CB-OG1 3.37Å; Q232-T235 PolarHBondContact O-N 3.46Å; Q232-T235 PolarHBondContact O-OG1 3.33Å; T235-M237 PolarHBondContact O-N 3.35Å; T235-Y238 WeakPolarHBondContact O-CB 3.16Å; T235-Y238 PolarHBondContact O-N 3.04Å; T235-Y238 VanDerWaalsContact O-N 3.08Å; T235-Y238 PolarHBondContact OG1-N 3.47Å; T235-D239 PolarHBondContact O-N 2.91Å |
| 236 | E | 89.2 | Confident | 90.9 | Very high | 80 Ų | 80 | 39.6 Ų | 39.6 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.2 | -24 | 173.9 | -175.4 | 60.2 | -155 | 0 | 0 | 112.2 | R240 R243 | E236-R240 WeakPolarHBondContact O-CB 3.3Å; E236-R240 PolarHBondContact O-N 2.97Å; E236-R243 IonicContact OE1-NH1 3.75Å; E236-R243 PolarHBondContact OE1-NH1 2.91Å |
| 237 | M | 89.2 | Confident | 91 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 43% | 0.429 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.4 | -69.4 | -165.8 | -71.1 | 0 | 0 | 111.5 | Y186 I230 T235 R240 A241 | Y186-M237 VanDerWaalsContact OH-CA 3.3Å; Y186-M237 WeakPolarHBondContact OH-CA 3.47Å; Y186-M237 WeakPolarHBondContact OH-CB 3.32Å; Y186-M237 PolarHBondContact OH-O 2.84Å; Y186-M237 VanDerWaalsContact OH-O 3.07Å; I230-M237 HydrophobicContact CG2-CB 4.11Å; T235-M237 PolarHBondContact O-N 3.35Å; M237-R240 WeakPolarHBondContact O-CB 3.45Å; M237-R240 PolarHBondContact O-N 3.44Å; M237-A241 PolarHBondContact O-N 3.02Å |
| 238 | Y | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 177.1 | -167.9 | -92.5 | 0 | 0 | 0 | 111.6 | G55 L56 V227 I230 Q232 P233 T235 R240 A241 I242 M275 | G55-Y238 PolarHBondContact O-OH 3.37Å; L56-Y238 HydrophobicContact CD1-CE1 4.45Å; V227-Y238 HydrophobicContact CB-CE2 4.45Å; V227-Y238 HydrophobicContact CG1-CD2 4.13Å; V227-Y238 HydrophobicContact CG1-CE1 4.25Å; V227-Y238 HydrophobicContact CG1-CE2 3.26Å; V227-Y238 VanDerWaalsContact CG1-OH 3.28Å; V227-Y238 WeakPolarHBondContact CG1-OH 3.34Å; V227-Y238 WeakPolarHBondContact O-CE2 3.23Å; I230-Y238 HydrophobicContact CG2-CD2 4.24Å; Q232-Y238 WeakPolarHBondContact O-CB 3.34Å; P233-Y238 HydrophobicContact CB-CD1 4.36Å; P233-Y238 HydrophobicContact CB-CE1 4.17Å; P233-Y238 HydrophobicContact CB-CE2 4.46Å; P233-Y238 HydrophobicContact CG-CE2 4.19Å; T235-Y238 WeakPolarHBondContact O-CB 3.16Å; T235-Y238 PolarHBondContact O-N 3.04Å; T235-Y238 VanDerWaalsContact O-N 3.08Å; T235-Y238 PolarHBondContact OG1-N 3.47Å; Y238-R240 VanDerWaalsContact C-N 3.31Å; Y238-R240 PolarHBondContact O-N 3.37Å; Y238-A241 WeakPolarHBondContact O-CB 3.42Å; Y238-A241 PolarHBondContact O-N 3.37Å; Y238-A241 VanDerWaalsContact O-N 3.12Å; Y238-I242 HydrophobicContact CD1-CD1 3.85Å; Y238-I242 HydrophobicContact CD1-CG1 4.46Å; Y238-I242 HydrophobicContact CE1-CD1 3.75Å; Y238-I242 HydrophobicContact CE1-CG1 4.41Å; Y238-I242 WeakPolarHBondContact O-CG1 3.26Å; Y238-I242 PolarHBondContact O-N 3.19Å; Y238-M275 HydrophobicContact CD2-CE 4.39Å; Y238-M275 HydrophobicContact CE2-CE 3.38Å |
| 239 | D | 92.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.6 | -73.4 | -1.8 | 0 | 0 | 0 | 112.1 | K71 T235 A241 I242 R243 | K71-D239 HydrophobicContact CD-CB 4.3Å; K71-D239 WeakPolarHBondContact CD-OD1 3.34Å; K71-D239 VanDerWaalsContact CE-OD1 3.26Å; K71-D239 WeakPolarHBondContact CE-OD1 3.04Å; K71-D239 WeakPolarHBondContact CE-OD2 3.36Å; K71-D239 IonicContact NZ-OD1 2.89Å; K71-D239 PolarHBondContact NZ-OD1 3.26Å; K71-D239 IonicContact NZ-OD2 2.76Å; K71-D239 PolarHBondContact NZ-OD2 3.37Å; T235-D239 PolarHBondContact O-N 2.91Å; D239-A241 VanDerWaalsContact C-N 3.34Å; D239-I242 PolarHBondContact O-N 2.95Å; D239-R243 WeakPolarHBondContact O-CG 3.48Å; D239-R243 PolarHBondContact O-N 3.47Å |
| 240 | R | 92.4 | Very high | 91.5 | Very high | 139 Ų | 139 | 44.9 Ų | 44.9 | 53% | 0.525 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.8 | -37 | 173.6 | -173.4 | -176.9 | -60.1 | 175.7 | 1.9 | 112.2 | Y186 E236 M237 Y238 R243 M244 | Y186-R240 HydrophobicContact CE1-CB 4.23Å; Y186-R240 HydrophobicContact CE1-CG 4.03Å; E236-R240 WeakPolarHBondContact O-CB 3.3Å; E236-R240 PolarHBondContact O-N 2.97Å; M237-R240 WeakPolarHBondContact O-CB 3.45Å; M237-R240 PolarHBondContact O-N 3.44Å; Y238-R240 VanDerWaalsContact C-N 3.31Å; Y238-R240 PolarHBondContact O-N 3.37Å; R240-R243 PolarHBondContact O-N 2.94Å; R240-M244 WeakPolarHBondContact O-CB 3.47Å; R240-M244 PolarHBondContact O-N 2.91Å |
| 241 | A | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y186 T226 V227 I230 M237 Y238 D239 R243 M244 V245 | Y186-A241 HydrophobicContact CD1-CB 4.39Å; Y186-A241 HydrophobicContact CE1-CB 3.97Å; T226-A241 HydrophobicContact CG2-CB 3.81Å; V227-A241 HydrophobicContact CG2-CB 4.09Å; I230-A241 HydrophobicContact CD1-CB 3.5Å; I230-A241 VanDerWaalsContact CD1-CB 3.5Å; M237-A241 PolarHBondContact O-N 3.02Å; Y238-A241 WeakPolarHBondContact O-CB 3.42Å; Y238-A241 PolarHBondContact O-N 3.37Å; Y238-A241 VanDerWaalsContact O-N 3.12Å; D239-A241 VanDerWaalsContact C-N 3.34Å; A241-R243 VanDerWaalsContact C-N 3.31Å; A241-R243 PolarHBondContact O-N 2.73Å; A241-M244 WeakPolarHBondContact O-CB 3.44Å; A241-M244 PolarHBondContact O-N 3Å; A241-M244 VanDerWaalsContact O-N 3.1Å; A241-V245 WeakPolarHBondContact O-CG2 3.33Å; A241-V245 PolarHBondContact O-N 3.3Å |
| 242 | I | 93.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.1 | -46.5 | 173.4 | -63 | 170.3 | 0 | 0 | 0 | 110.6 | L56 K71 Y238 D239 M244 V245 D246 | L56-I242 HydrophobicContact CD1-CD1 3.71Å; L56-I242 HydrophobicContact CD1-CG1 3.75Å; K71-I242 HydrophobicContact CB-CB 4.48Å; K71-I242 HydrophobicContact CB-CG2 3.96Å; K71-I242 HydrophobicContact CD-CD1 4.37Å; Y238-I242 HydrophobicContact CD1-CD1 3.85Å; Y238-I242 HydrophobicContact CD1-CG1 4.46Å; Y238-I242 HydrophobicContact CE1-CD1 3.75Å; Y238-I242 HydrophobicContact CE1-CG1 4.41Å; Y238-I242 WeakPolarHBondContact O-CG1 3.26Å; Y238-I242 PolarHBondContact O-N 3.19Å; D239-I242 PolarHBondContact O-N 2.95Å; I242-M244 VanDerWaalsContact C-N 3.3Å; I242-M244 PolarHBondContact O-N 2.73Å; I242-V245 PolarHBondContact O-N 2.81Å; I242-D246 WeakPolarHBondContact O-CB 3.22Å; I242-D246 PolarHBondContact O-N 3.03Å |
| 243 | R | 94 | Very high | 92.6 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 25% | 0.249 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -36.7 | 176.8 | -73.5 | 169.5 | 171.2 | 165.3 | -1.2 | 112.8 | D65 K71 E236 D239 R240 A241 K247 | D65-R243 VanDerWaalsContact CG-NH2 3.33Å; D65-R243 IonicContact OD2-CZ 3.02Å; D65-R243 IonicContact OD2-NH1 3.85Å; D65-R243 IonicContact OD2-NH2 3.77Å; D65-R243 PolarHBondContact OD2-NH2 2.83Å; K71-R243 WeakPolarHBondContact O-CA 3.06Å; K71-R243 WeakPolarHBondContact O-CG 3.33Å; E236-R243 IonicContact OE1-NH1 3.75Å; E236-R243 PolarHBondContact OE1-NH1 2.91Å; D239-R243 WeakPolarHBondContact O-CG 3.48Å; D239-R243 PolarHBondContact O-N 3.47Å; R240-R243 PolarHBondContact O-N 2.94Å; A241-R243 VanDerWaalsContact C-N 3.31Å; A241-R243 PolarHBondContact O-N 2.73Å; R243-K247 WeakPolarHBondContact O-CB 3.44Å; R243-K247 WeakPolarHBondContact O-CG 3.45Å; R243-K247 PolarHBondContact O-N 2.59Å |
| 244 | M | 94.8 | Very high | 92.9 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 16% | 0.163 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -46.3 | 177.6 | -177.6 | -170.9 | 67.8 | 0 | 0 | 111.2 | Y186 D189 Q190 T226 R240 A241 I242 D246 K247 G248 | Y186-M244 HydrophobicContact CD1-CE 3.94Å; Y186-M244 HydrophobicContact CD1-SD 3.82Å; Y186-M244 HydrophobicContact CG-CE 4.5Å; Y186-M244 HydrophobicContact CG-SD 4.22Å; D189-M244 HydrophobicContact CB-CE 3.7Å; Q190-M244 HydrophobicContact CG-SD 4.03Å; T226-M244 HydrophobicContact CG2-CE 3.88Å; R240-M244 WeakPolarHBondContact O-CB 3.47Å; R240-M244 PolarHBondContact O-N 2.91Å; A241-M244 WeakPolarHBondContact O-CB 3.44Å; A241-M244 PolarHBondContact O-N 3Å; A241-M244 VanDerWaalsContact O-N 3.1Å; I242-M244 VanDerWaalsContact C-N 3.3Å; I242-M244 PolarHBondContact O-N 2.73Å; M244-D246 VanDerWaalsContact C-N 3.32Å; M244-D246 PolarHBondContact O-N 2.83Å; M244-K247 PolarHBondContact O-N 2.99Å; M244-G248 PolarHBondContact O-N 3.46Å |
| 245 | V | 95 | Very high | 93.4 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.3 | -49 | 174.3 | 167.3 | 0 | 0 | 0 | 0 | 110.2 | D189 L224 V227 A241 I242 K247 G248 I249 F269 | D189-V245 WeakPolarHBondContact OD2-CG2 3.45Å; L224-V245 HydrophobicContact CD1-CG1 3.74Å; L224-V245 HydrophobicContact CD1-CG2 4.32Å; V227-V245 HydrophobicContact CG2-CG2 4.43Å; A241-V245 WeakPolarHBondContact O-CG2 3.33Å; A241-V245 PolarHBondContact O-N 3.3Å; I242-V245 PolarHBondContact O-N 2.81Å; V245-K247 PolarHBondContact O-N 3.37Å; V245-G248 PolarHBondContact O-N 3.12Å; V245-I249 HydrophobicContact CG1-CD1 3.65Å; V245-I249 HydrophobicContact CG1-CG1 4.43Å; V245-I249 VanDerWaalsContact O-CG1 3.29Å; V245-I249 WeakPolarHBondContact O-CG1 3.27Å; V245-I249 PolarHBondContact O-N 3.34Å; V245-F269 HydrophobicContact CG1-CE2 3.89Å; V245-F269 HydrophobicContact CG1-CZ 4.38Å |
| 246 | D | 94 | Very high | 93.7 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 179.6 | -173.8 | 74.6 | 0 | 0 | 0 | 112.6 | S72 P73 F74 L75 I242 M244 I249 E250 | S72-D246 VanDerWaalsContact C-CG 3.44Å; S72-D246 VanDerWaalsContact C-OD1 3.27Å; S72-D246 VanDerWaalsContact CA-CG 3.47Å; S72-D246 WeakPolarHBondContact CA-OD1 3.43Å; P73-D246 WeakPolarHBondContact CD-OD2 3.39Å; P73-D246 WeakPolarHBondContact CG-OD2 3.41Å; P73-D246 VanDerWaalsContact N-OD2 3.16Å; F74-D246 WeakPolarHBondContact CB-OD2 3.5Å; F74-D246 PolarHBondContact N-OD1 3.3Å; F74-D246 PolarHBondContact N-OD2 2.88Å; L75-D246 WeakPolarHBondContact CB-OD1 3.49Å; L75-D246 VanDerWaalsContact CG-OD1 3.28Å; L75-D246 WeakPolarHBondContact CG-OD1 3.25Å; L75-D246 PolarHBondContact N-OD1 3.19Å; I242-D246 WeakPolarHBondContact O-CB 3.22Å; I242-D246 PolarHBondContact O-N 3.03Å; M244-D246 VanDerWaalsContact C-N 3.32Å; M244-D246 PolarHBondContact O-N 2.83Å; D246-I249 PolarHBondContact O-N 3.16Å; D246-E250 PolarHBondContact O-N 2.81Å |
| 247 | K | 94.8 | Very high | 93.8 | Very high | 146 Ų | 146 | 45 Ų | 45 | 64% | 0.635 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -63.7 | -40.5 | 175.5 | -75.7 | -179.1 | 178.8 | -176.1 | 0 | 112.9 | R243 M244 V245 I249 E250 E251 | R243-K247 WeakPolarHBondContact O-CB 3.44Å; R243-K247 WeakPolarHBondContact O-CG 3.45Å; R243-K247 PolarHBondContact O-N 2.59Å; M244-K247 PolarHBondContact O-N 2.99Å; V245-K247 PolarHBondContact O-N 3.37Å; K247-I249 VanDerWaalsContact C-N 3.35Å; K247-E250 PolarHBondContact O-N 2.57Å; K247-E251 PolarHBondContact O-N 3.4Å |
| 248 | G | 95.8 | Very high | 94 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M244 V245 E251 L252 | M244-G248 PolarHBondContact O-N 3.46Å; V245-G248 PolarHBondContact O-N 3.12Å; G248-E251 PolarHBondContact O-N 3.11Å; G248-L252 WeakPolarHBondContact O-CG 3.46Å; G248-L252 PolarHBondContact O-N 3.18Å |
| 249 | I | 94.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.5 | -66.3 | 167.3 | 0 | 0 | 0 | 111 | F51 F74 L75 F193 V245 D246 K247 E251 L252 H253 F269 | F51-I249 HydrophobicContact CB-CD1 4.26Å; F51-I249 HydrophobicContact CD1-CD1 4.29Å; F51-I249 HydrophobicContact CD1-CG1 3.86Å; F51-I249 HydrophobicContact CD2-CD1 4.47Å; F51-I249 HydrophobicContact CD2-CG1 4.34Å; F51-I249 HydrophobicContact CD2-CG2 4.35Å; F51-I249 HydrophobicContact CE1-CG1 3.92Å; F51-I249 HydrophobicContact CE2-CG1 4.39Å; F51-I249 HydrophobicContact CE2-CG2 3.99Å; F51-I249 HydrophobicContact CG-CD1 4.11Å; F51-I249 HydrophobicContact CG-CG1 4.07Å; F51-I249 HydrophobicContact CZ-CG1 4.2Å; F51-I249 HydrophobicContact CZ-CG2 4.22Å; F74-I249 HydrophobicContact CD1-CG2 4.37Å; F74-I249 HydrophobicContact CE1-CG2 4.02Å; L75-I249 HydrophobicContact CD1-CD1 4.03Å; L75-I249 HydrophobicContact CD2-CG2 4.16Å; F193-I249 HydrophobicContact CE1-CG1 4.45Å; F193-I249 HydrophobicContact CZ-CG1 4.47Å; V245-I249 HydrophobicContact CG1-CD1 3.65Å; V245-I249 HydrophobicContact CG1-CG1 4.43Å; V245-I249 VanDerWaalsContact O-CG1 3.29Å; V245-I249 WeakPolarHBondContact O-CG1 3.27Å; V245-I249 PolarHBondContact O-N 3.34Å; D246-I249 PolarHBondContact O-N 3.16Å; K247-I249 VanDerWaalsContact C-N 3.35Å; I249-E251 VanDerWaalsContact C-N 3.34Å; I249-E251 PolarHBondContact O-N 3.3Å; I249-L252 PolarHBondContact O-N 2.61Å; I249-H253 WeakPolarHBondContact O-CB 3.16Å; I249-H253 PolarHBondContact O-N 3.4Å; I249-F269 HydrophobicContact CD1-CD2 3.48Å; I249-F269 VanDerWaalsContact CD1-CD2 3.48Å; I249-F269 HydrophobicContact CD1-CE2 3.61Å |
| 250 | E | 93.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 48 Ų | 48 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.2 | -176.8 | -171.7 | -144.8 | 0 | 0 | 112.1 | F74 D246 K247 R254 | F74-E250 HydrophobicContact CB-CB 3.96Å; F74-E250 HydrophobicContact CB-CG 4.3Å; F74-E250 HydrophobicContact CD1-CB 3.8Å; F74-E250 HydrophobicContact CD1-CG 4.44Å; F74-E250 HydrophobicContact CD2-CB 3.77Å; F74-E250 HydrophobicContact CD2-CG 3.48Å; F74-E250 VanDerWaalsContact CD2-CG 3.48Å; F74-E250 HydrophobicContact CE1-CB 4.24Å; F74-E250 HydrophobicContact CE2-CB 4.2Å; F74-E250 HydrophobicContact CE2-CG 3.84Å; F74-E250 HydrophobicContact CG-CB 3.54Å; F74-E250 HydrophobicContact CG-CG 3.82Å; F74-E250 HydrophobicContact CZ-CB 4.42Å; F74-E250 HydrophobicContact CZ-CG 4.46Å; D246-E250 PolarHBondContact O-N 2.81Å; K247-E250 PolarHBondContact O-N 2.57Å; E250-R254 WeakPolarHBondContact O-CG 3.05Å; E250-R254 PolarHBondContact O-N 2.81Å; E250-R254 VanDerWaalsContact O-N 3.14Å; E250-R254 PolarHBondContact O-NE 2.92Å; E250-R254 IonicContact OE1-NH2 3.38Å; E250-R254 IonicContact OE2-NH2 3.89Å; E250-R254 PolarHBondContact OE2-NH2 2.94Å |
| 251 | E | 95.8 | Very high | 94.4 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -50.8 | 177.4 | -169.2 | -166.4 | 177.5 | 0 | 0 | 110.7 | K197 K247 G248 I249 H253 R254 I255 | K197-E251 IonicContact NZ-OE1 3.09Å; K197-E251 PolarHBondContact NZ-OE1 2.82Å; K197-E251 IonicContact NZ-OE2 3.61Å; K197-E251 PolarHBondContact NZ-OE2 2.93Å; K247-E251 PolarHBondContact O-N 3.4Å; G248-E251 PolarHBondContact O-N 3.11Å; I249-E251 VanDerWaalsContact C-N 3.34Å; I249-E251 PolarHBondContact O-N 3.3Å; E251-H253 PolarHBondContact O-N 2.93Å; E251-R254 PolarHBondContact O-N 2.97Å; E251-I255 HydrophobicContact CG-CD1 3.99Å; E251-I255 WeakPolarHBondContact O-CG1 3.37Å; E251-I255 PolarHBondContact O-N 3.34Å |
| 252 | L | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | -179.9 | -70.4 | -160.8 | 0 | 0 | 0 | 112.5 | F51 F193 F196 K197 L222 G248 I249 R254 I255 I256 | F51-L252 HydrophobicContact CE1-CD1 4.12Å; F51-L252 HydrophobicContact CZ-CB 4.5Å; F51-L252 HydrophobicContact CZ-CD1 4.43Å; F193-L252 HydrophobicContact CB-CD1 4.5Å; F193-L252 HydrophobicContact CD1-CD1 3.55Å; F193-L252 HydrophobicContact CD1-CG 4.12Å; F193-L252 HydrophobicContact CE1-CD1 4.24Å; F193-L252 HydrophobicContact CG-CD1 4.42Å; F196-L252 HydrophobicContact CB-CD1 4.34Å; F196-L252 HydrophobicContact CD1-CD1 3.85Å; F196-L252 HydrophobicContact CD1-CD2 3.87Å; F196-L252 HydrophobicContact CD1-CG 4.43Å; F196-L252 HydrophobicContact CE1-CD1 4.49Å; F196-L252 HydrophobicContact CG-CD1 4.16Å; K197-L252 HydrophobicContact CD-CD2 4Å; K197-L252 HydrophobicContact CG-CD2 3.62Å; L222-L252 HydrophobicContact CD2-CD1 3.56Å; G248-L252 WeakPolarHBondContact O-CG 3.46Å; G248-L252 PolarHBondContact O-N 3.18Å; I249-L252 PolarHBondContact O-N 2.61Å; L252-R254 VanDerWaalsContact C-N 3.33Å; L252-R254 PolarHBondContact O-N 3.5Å; L252-I255 HydrophobicContact CD2-CD1 4.42Å; L252-I255 PolarHBondContact O-N 3Å; L252-I256 HydrophobicContact CB-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CB 3.47Å; L252-I256 WeakPolarHBondContact O-CD1 3.04Å; L252-I256 WeakPolarHBondContact O-CG1 3.24Å; L252-I256 PolarHBondContact O-N 3.11Å |
| 253 | H | 92.3 | Very high | 94.2 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 17% | 0.171 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.5 | -49.2 | 174.3 | 169.8 | -86.3 | 0 | 0 | 0 | 110.8 | F74 I249 E251 I255 I256 E257 Y267 | F74-H253 HydrophobicContact CE1-CB 4.4Å; F74-H253 HydrophobicContact CZ-CB 4Å; F74-H253 AromaticContact CZ-CG 3.84Å; F74-H253 AromaticContact CZ-ND1 3.94Å; I249-H253 WeakPolarHBondContact O-CB 3.16Å; I249-H253 PolarHBondContact O-N 3.4Å; E251-H253 PolarHBondContact O-N 2.93Å; H253-I255 VanDerWaalsContact C-N 3.35Å; H253-I255 PolarHBondContact O-N 3.23Å; H253-I256 PolarHBondContact O-N 3.41Å; H253-E257 WeakPolarHBondContact O-CB 3.45Å; H253-E257 WeakPolarHBondContact O-CG 3.45Å; H253-E257 PolarHBondContact O-N 3.2Å; H253-Y267 AromaticContact CD2-CE2 3.71Å; H253-Y267 AromaticContact CD2-CZ 3.76Å |
| 254 | R | 93.1 | Very high | 94.2 | Very high | 144 Ų | 144 | 53.9 Ų | 53.9 | 54% | 0.543 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 177 | -76.4 | -177.8 | -84.7 | 167 | -14.1 | 112.6 | E250 E251 L252 S258 | E250-R254 WeakPolarHBondContact O-CG 3.05Å; E250-R254 PolarHBondContact O-N 2.81Å; E250-R254 VanDerWaalsContact O-N 3.14Å; E250-R254 PolarHBondContact O-NE 2.92Å; E250-R254 IonicContact OE1-NH2 3.38Å; E250-R254 IonicContact OE2-NH2 3.89Å; E250-R254 PolarHBondContact OE2-NH2 2.94Å; E251-R254 PolarHBondContact O-N 2.97Å; L252-R254 VanDerWaalsContact C-N 3.33Å; L252-R254 PolarHBondContact O-N 3.5Å; R254-S258 VanDerWaalsContact O-CB 3.28Å; R254-S258 WeakPolarHBondContact O-CB 3.1Å; R254-S258 PolarHBondContact O-N 2.89Å |
| 255 | I | 96 | Very high | 94.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 179.7 | -70 | 169.4 | 0 | 0 | 0 | 111.1 | K197 L200 E251 L252 H253 S258 Y259 | K197-I255 HydrophobicContact CD-CD1 3.55Å; K197-I255 HydrophobicContact CG-CD1 3.92Å; L200-I255 HydrophobicContact CD2-CG2 3.48Å; L200-I255 VanDerWaalsContact CD2-CG2 3.48Å; E251-I255 HydrophobicContact CG-CD1 3.99Å; E251-I255 WeakPolarHBondContact O-CG1 3.37Å; E251-I255 PolarHBondContact O-N 3.34Å; L252-I255 HydrophobicContact CD2-CD1 4.42Å; L252-I255 PolarHBondContact O-N 3Å; H253-I255 VanDerWaalsContact C-N 3.35Å; H253-I255 PolarHBondContact O-N 3.23Å; I255-S258 PolarHBondContact O-N 2.85Å; I255-Y259 VanDerWaalsContact O-CB 3.31Å; I255-Y259 WeakPolarHBondContact O-CB 3.46Å; I255-Y259 PolarHBondContact O-N 2.66Å |
| 256 | I | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -45.8 | -177.6 | -67 | 164.7 | 0 | 0 | 0 | 110.5 | V49 F196 L252 H253 S258 Y259 F260 T265 Y267 | V49-I256 HydrophobicContact CG1-CD1 4.34Å; V49-I256 HydrophobicContact CG2-CD1 4.12Å; F196-I256 HydrophobicContact CE1-CD1 3.64Å; F196-I256 HydrophobicContact CE1-CG1 3.63Å; F196-I256 HydrophobicContact CZ-CD1 3.62Å; F196-I256 HydrophobicContact CZ-CG1 3.81Å; L252-I256 HydrophobicContact CB-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CB 3.47Å; L252-I256 WeakPolarHBondContact O-CD1 3.04Å; L252-I256 WeakPolarHBondContact O-CG1 3.24Å; L252-I256 PolarHBondContact O-N 3.11Å; H253-I256 PolarHBondContact O-N 3.41Å; I256-S258 VanDerWaalsContact C-N 3.29Å; I256-S258 PolarHBondContact O-N 3Å; I256-Y259 PolarHBondContact O-N 3.33Å; I256-Y259 VanDerWaalsContact O-N 3.13Å; I256-F260 HydrophobicContact CG2-CD2 3.73Å; I256-F260 HydrophobicContact CG2-CE2 4.02Å; I256-F260 PolarHBondContact O-N 3.44Å; I256-T265 HydrophobicContact CG2-CG2 4.08Å; I256-Y267 WeakPolarHBondContact CB-OH 3.28Å; I256-Y267 HydrophobicContact CD1-CE1 4.06Å; I256-Y267 HydrophobicContact CG2-CE1 4.37Å; I256-Y267 WeakPolarHBondContact CG2-OH 3.34Å |
| 257 | E | 92.1 | Very high | 94 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -34.5 | 177.6 | -72.6 | -60.3 | 120.4 | 0 | 0 | 111.9 | H253 A261 Y267 | H253-E257 WeakPolarHBondContact O-CB 3.45Å; H253-E257 WeakPolarHBondContact O-CG 3.45Å; H253-E257 PolarHBondContact O-N 3.2Å; E257-A261 VanDerWaalsContact O-CA 3.23Å; E257-A261 WeakPolarHBondContact O-CA 3.24Å; E257-A261 PolarHBondContact O-N 2.74Å; E257-Y267 WeakPolarHBondContact OE1-CE2 3.14Å; E257-Y267 PolarHBondContact OE1-OH 2.79Å |
| 258 | S | 94.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71.1 | -30.7 | 173 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | R254 I255 I256 | R254-S258 VanDerWaalsContact O-CB 3.28Å; R254-S258 WeakPolarHBondContact O-CB 3.1Å; R254-S258 PolarHBondContact O-N 2.89Å; I255-S258 PolarHBondContact O-N 2.85Å; I256-S258 VanDerWaalsContact C-N 3.29Å; I256-S258 PolarHBondContact O-N 3Å |
| 259 | Y | 96.3 | Very high | 93.8 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -79.8 | -49.2 | -176.6 | 174.8 | -81.7 | 0 | 0 | 0 | 111.8 | L200 T203 L204 N210 V213 H214 I255 I256 | L200-Y259 HydrophobicContact CD1-CD1 3.82Å; L200-Y259 HydrophobicContact CD1-CD2 3.91Å; L200-Y259 HydrophobicContact CD1-CE1 3.87Å; L200-Y259 HydrophobicContact CD1-CE2 3.9Å; L200-Y259 HydrophobicContact CD1-CG 3.87Å; L200-Y259 HydrophobicContact CD2-CD2 3.98Å; L200-Y259 HydrophobicContact CD2-CG 3.93Å; L200-Y259 HydrophobicContact CG-CD1 4.46Å; L200-Y259 HydrophobicContact CG-CD2 3.73Å; L200-Y259 HydrophobicContact CG-CE2 3.96Å; L200-Y259 HydrophobicContact CG-CG 4Å; T203-Y259 WeakPolarHBondContact CB-OH 3.42Å; T203-Y259 WeakPolarHBondContact OG1-CE2 3.34Å; T203-Y259 VanDerWaalsContact OG1-CZ 3.26Å; T203-Y259 PolarHBondContact OG1-OH 3.42Å; L204-Y259 HydrophobicContact CD2-CD2 4.01Å; L204-Y259 HydrophobicContact CD2-CE2 3.45Å; L204-Y259 VanDerWaalsContact CD2-CE2 3.45Å; L204-Y259 HydrophobicContact CG-CE2 3.97Å; N210-Y259 PolarHBondContact OD1-OH 3.29Å; V213-Y259 HydrophobicContact CG2-CE1 4.45Å; H214-Y259 AromaticContact CE1-CE1 3.64Å; H214-Y259 AromaticContact CE1-CZ 3.96Å; I255-Y259 VanDerWaalsContact O-CB 3.31Å; I255-Y259 WeakPolarHBondContact O-CB 3.46Å; I255-Y259 PolarHBondContact O-N 2.66Å; I256-Y259 PolarHBondContact O-N 3.33Å; I256-Y259 VanDerWaalsContact O-N 3.13Å |
| 260 | F | 95.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -87.3 | -41.2 | -178 | -68.3 | -73.5 | 0 | 0 | 0 | 112.8 | L200 V213 H214 F220 I256 D262 | L200-F260 HydrophobicContact CD1-CE2 4.48Å; V213-F260 HydrophobicContact CB-CE1 4.34Å; V213-F260 HydrophobicContact CB-CZ 4.25Å; V213-F260 HydrophobicContact CG2-CE1 4.18Å; V213-F260 HydrophobicContact CG2-CZ 4.34Å; H214-F260 AromaticContact CD2-CD1 3.92Å; H214-F260 AromaticContact NE2-CD1 3.67Å; H214-F260 AromaticContact NE2-CE1 3.94Å; F220-F260 HydrophobicContact CE2-CE2 4.3Å; F220-F260 HydrophobicContact CE2-CZ 4.18Å; F220-F260 HydrophobicContact CZ-CZ 4.29Å; I256-F260 HydrophobicContact CG2-CD2 3.73Å; I256-F260 HydrophobicContact CG2-CE2 4.02Å; I256-F260 PolarHBondContact O-N 3.44Å; F260-D262 PolarHBondContact O-N 3.18Å |
| 261 | A | 90.9 | Very high | 93.8 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 67% | 0.669 | 26% | 0.255 | S | S | * | . | trans | 47.2 | 30.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | E257 | E257-A261 VanDerWaalsContact O-CA 3.23Å; E257-A261 WeakPolarHBondContact O-CA 3.24Å; E257-A261 PolarHBondContact O-N 2.74Å | ||
| 262 | D | 93.6 | Very high | 93.7 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -117.5 | -3 | -174.3 | 66.1 | -0.7 | 0 | 0 | 0 | 114.1 | R47 F260 R264 | R47-D262 IonicContact CZ-OD1 3.78Å; R47-D262 IonicContact CZ-OD2 2.83Å; R47-D262 IonicContact NH1-OD2 3.89Å; R47-D262 PolarHBondContact NH1-OD2 3.03Å; R47-D262 IonicContact NH2-OD1 3.49Å; R47-D262 PolarHBondContact NH2-OD1 3.24Å; R47-D262 IonicContact NH2-OD2 3.69Å; R47-D262 PolarHBondContact NH2-OD2 3.41Å; F260-D262 PolarHBondContact O-N 3.18Å; D262-R264 HydrophobicContact CB-CG 4.48Å; D262-R264 PolarHBondContact O-N 2.93Å; D262-R264 PolarHBondContact OD1-N 3.06Å |
| 263 | G | 89.1 | Confident | 93.6 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 62% | 0.619 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 65.1 | 17.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 264 | R | 94.2 | Very high | 93.6 | Very high | 121 Ų | 121 | 42.5 Ų | 42.5 | 46% | 0.457 | 23% | 0.231 | S | C | . | . | trans | -106.1 | 22.4 | -178.2 | -62.1 | -76.1 | -172.5 | 162 | 4.2 | 113.1 | A45 D46 R47 D262 | A45-R264 WeakPolarHBondContact CB-O 3.14Å; D46-R264 HydrophobicContact CB-CB 4.21Å; D46-R264 PolarHBondContact N-O 3.34Å; R47-R264 PolarHBondContact N-O 2.63Å; R47-R264 VanDerWaalsContact N-O 3.14Å; R47-R264 PolarHBondContact NH2-O 3.18Å; D262-R264 HydrophobicContact CB-CG 4.48Å; D262-R264 PolarHBondContact O-N 2.93Å; D262-R264 PolarHBondContact OD1-N 3.06Å | ||
| 265 | T | 94.3 | Very high | 93.5 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 110.2 | R47 V49 I256 Y267 | R47-T265 HydrophobicContact CB-CG2 4.21Å; R47-T265 PolarHBondContact NE-OG1 3.43Å; R47-T265 VanDerWaalsContact NE-OG1 3.14Å; R47-T265 PolarHBondContact NH2-OG1 3.1Å; R47-T265 WeakPolarHBondContact O-CA 3.07Å; V49-T265 HydrophobicContact CG2-CG2 3.79Å; I256-T265 HydrophobicContact CG2-CG2 4.08Å; T265-Y267 HydrophobicContact CG2-CE1 4.32Å; T265-Y267 HydrophobicContact CG2-CE2 3.99Å |
| 266 | V | 93 | Very high | 93.1 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.9 | 172.5 | 68.5 | 0 | 0 | 0 | 0 | 111 | A45 R47 L48 V49 L303 I304 | A45-V266 HydrophobicContact CB-CB 3.85Å; A45-V266 HydrophobicContact CB-CG1 3.85Å; R47-V266 WeakPolarHBondContact O-CG1 3.38Å; R47-V266 PolarHBondContact O-N 2.89Å; L48-V266 CarbonylContact C-O 3.59Å; L48-V266 WeakPolarHBondContact CA-O 3.26Å; L48-V266 HydrophobicContact CB-CG1 3.87Å; L48-V266 HydrophobicContact CD1-CG1 3.9Å; L48-V266 HydrophobicContact CG-CG1 3.89Å; V49-V266 PolarHBondContact N-O 2.75Å; V266-L303 HydrophobicContact CG1-CB 4.08Å; V266-L303 HydrophobicContact CG1-CD1 4.18Å; V266-L303 HydrophobicContact CG2-CD1 3.99Å; V266-L303 HydrophobicContact CG2-CD2 4.11Å; V266-I304 HydrophobicContact CG1-CG2 4.49Å |
| 267 | Y | 92.9 | Very high | 92.6 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 24% | 0.239 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.9 | -179.9 | -59.4 | -90.4 | 0 | 0 | 0 | 110.1 | V49 F51 H253 I256 E257 T265 | V49-Y267 HydrophobicContact CB-CD1 3.7Å; V49-Y267 HydrophobicContact CB-CE1 4.02Å; V49-Y267 HydrophobicContact CG1-CD1 4.16Å; V49-Y267 HydrophobicContact CG1-CE1 4.4Å; V49-Y267 HydrophobicContact CG2-CD1 4Å; V49-Y267 HydrophobicContact CG2-CE1 3.82Å; V49-Y267 WeakPolarHBondContact O-CA 2.87Å; F51-Y267 HydrophobicContact CE2-CD1 4.12Å; H253-Y267 AromaticContact CD2-CE2 3.71Å; H253-Y267 AromaticContact CD2-CZ 3.76Å; I256-Y267 WeakPolarHBondContact CB-OH 3.28Å; I256-Y267 HydrophobicContact CD1-CE1 4.06Å; I256-Y267 HydrophobicContact CG2-CE1 4.37Å; I256-Y267 WeakPolarHBondContact CG2-OH 3.34Å; E257-Y267 WeakPolarHBondContact OE1-CE2 3.14Å; E257-Y267 PolarHBondContact OE1-OH 2.79Å; T265-Y267 HydrophobicContact CG2-CE1 4.32Å; T265-Y267 HydrophobicContact CG2-CE2 3.99Å |
| 268 | V | 93 | Very high | 92 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.7 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | L48 V49 L50 F51 L293 I296 L303 | L48-V268 HydrophobicContact CD1-CG2 4.04Å; L48-V268 HydrophobicContact CG-CG2 4.34Å; V49-V268 PolarHBondContact O-N 2.75Å; L50-V268 WeakPolarHBondContact CA-O 3.47Å; L50-V268 HydrophobicContact CD1-CB 3.84Å; L50-V268 HydrophobicContact CD1-CG1 3.62Å; F51-V268 PolarHBondContact N-O 3.22Å; V268-L293 HydrophobicContact CG1-CD1 3.68Å; V268-I296 HydrophobicContact CG1-CG2 4.13Å; V268-L303 HydrophobicContact CG2-CD1 4Å |
| 269 | F | 93.3 | Very high | 91.4 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 9% | 0.088 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.5 | 176.8 | 175.7 | -95.1 | 0 | 0 | 0 | 110.4 | F51 A53 L56 F61 L75 V245 I249 P292 L293 | F51-F269 HydrophobicContact CB-CD2 3.74Å; F51-F269 WeakPolarHBondContact O-CA 3.35Å; A53-F269 HydrophobicContact CB-CE2 3.95Å; A53-F269 HydrophobicContact CB-CZ 3.92Å; L56-F269 HydrophobicContact CD2-CE1 3.9Å; L56-F269 HydrophobicContact CD2-CZ 3.53Å; F61-F269 AromaticContact CD2-CE1 3.88Å; F61-F269 HydrophobicContact CD2-CE1 3.88Å; F61-F269 HydrophobicContact CD2-CZ 4.49Å; F61-F269 HydrophobicContact CE2-CD1 4.11Å; F61-F269 AromaticContact CE2-CE1 3.47Å; F61-F269 HydrophobicContact CE2-CE1 3.47Å; F61-F269 VanDerWaalsContact CE2-CE1 3.47Å; F61-F269 HydrophobicContact CE2-CZ 4.22Å; F61-F269 HydrophobicContact CZ-CD1 4.24Å; F61-F269 HydrophobicContact CZ-CE1 4.02Å; L75-F269 HydrophobicContact CD1-CD1 3.94Å; L75-F269 HydrophobicContact CD1-CD2 4.07Å; L75-F269 HydrophobicContact CD1-CE1 3.91Å; L75-F269 HydrophobicContact CD1-CE2 4.05Å; L75-F269 HydrophobicContact CD1-CG 4.01Å; L75-F269 HydrophobicContact CD1-CZ 3.95Å; L75-F269 HydrophobicContact CD2-CB 4.39Å; L75-F269 HydrophobicContact CD2-CG 4.39Å; V245-F269 HydrophobicContact CG1-CE2 3.89Å; V245-F269 HydrophobicContact CG1-CZ 4.38Å; I249-F269 HydrophobicContact CD1-CD2 3.48Å; I249-F269 VanDerWaalsContact CD1-CD2 3.48Å; I249-F269 HydrophobicContact CD1-CE2 3.61Å; F269-P292 HydrophobicContact CD1-CB 4.45Å; F269-P292 HydrophobicContact CE1-CB 4.45Å; F269-P292 HydrophobicContact CE1-CG 4.29Å; F269-L293 WeakPolarHBondContact O-CD1 3.26Å; F269-L293 WeakPolarHBondContact O-CG 3.43Å |
| 270 | T | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 174.6 | -177.6 | -172 | 0 | 0 | 0 | 0 | 111.1 | L50 F51 V52 A53 I113 P292 I296 | L50-T270 HydrophobicContact CD1-CG2 4.22Å; F51-T270 PolarHBondContact O-N 3.48Å; V52-T270 CarbonylContact C-O 3.47Å; V52-T270 WeakPolarHBondContact CA-O 3.02Å; V52-T270 HydrophobicContact CB-CG2 4.43Å; V52-T270 HydrophobicContact CG1-CG2 4.31Å; V52-T270 HydrophobicContact CG2-CG2 3.84Å; A53-T270 PolarHBondContact N-O 3.16Å; I113-T270 HydrophobicContact CD1-CG2 3.93Å; T270-P292 PolarHBondContact OG1-O 3.38Å; T270-I296 VanDerWaalsContact CB-CD1 3.42Å; T270-I296 HydrophobicContact CG2-CD1 3.52Å; T270-I296 WeakPolarHBondContact OG1-CD1 3.39Å |
| 271 | A | 94.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | trans | -122.7 | 154.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A53 L56 T291 | A53-A271 WeakPolarHBondContact O-CA 3.27Å; A53-A271 WeakPolarHBondContact O-CB 3.36Å; L56-A271 HydrophobicContact CB-CB 3.88Å; L56-A271 WeakPolarHBondContact O-CB 3.43Å; A271-T291 HydrophobicContact CB-CG2 3.83Å; A271-T291 WeakPolarHBondContact O-CB 3.37Å; A271-T291 PolarHBondContact O-OG1 3.46Å; A271-T291 VanDerWaalsContact O-OG1 3.12Å | ||
| 272 | D | 93.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -81.9 | -37.1 | 176.5 | 65.8 | -35.5 | 0 | 0 | 0 | 112.4 | V52 D54 G55 A100 S106 H110 I113 | V52-D272 HydrophobicContact CG1-CB 4.16Å; D54-D272 VanDerWaalsContact CA-OD1 3.31Å; D54-D272 WeakPolarHBondContact CA-OD1 3.35Å; G55-D272 PolarHBondContact N-OD1 3.24Å; A100-D272 VanDerWaalsContact CB-O 3.31Å; A100-D272 WeakPolarHBondContact CB-O 3.42Å; S106-D272 WeakPolarHBondContact CA-OD2 3.49Å; H110-D272 IonicContact CD2-OD2 3.53Å; H110-D272 IonicContact NE2-OD2 2.72Å; I113-D272 HydrophobicContact CD1-CB 3.74Å |
| 273 | H | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -150 | 172.8 | 164.8 | 62.2 | 88.4 | 0 | 0 | 0 | 112.7 | D54 G55 L56 T104 E105 S106 D228 H281 T291 | D54-H273 IonicContact OD1-CD2 3.97Å; D54-H273 IonicContact OD1-CE1 3.03Å; D54-H273 IonicContact OD1-NE2 3.95Å; D54-H273 PolarHBondContact OD1-NE2 2.93Å; G55-H273 CarbonylContact C-O 3.58Å; G55-H273 VanDerWaalsContact C-O 3.23Å; G55-H273 WeakPolarHBondContact CA-O 3.4Å; L56-H273 PolarHBondContact N-O 3.48Å; T104-H273 HydrophobicContact CG2-CB 4.04Å; E105-H273 VanDerWaalsContact C-CD2 3.4Å; S106-H273 PolarHBondContact N-NE2 2.94Å; D228-H273 IonicContact OD1-CE1 2.8Å; D228-H273 PolarHBondContact OD1-CE1 2.86Å; H273-H281 AromaticContact CE1-CD2 3.76Å; H273-H281 AromaticContact CE1-CE1 3.78Å; H273-H281 AromaticContact CE1-CG 3.4Å; H273-H281 VanDerWaalsContact CE1-CG 3.4Å; H273-H281 AromaticContact CE1-ND1 3.42Å; H273-H281 PolarHBondContact CE1-ND1 2.8Å; H273-H281 AromaticContact ND1-CG 3.78Å; H273-H281 AromaticContact NE2-ND1 3.83Å; H273-T291 VanDerWaalsContact CA-CG2 3.47Å | ||
| 274 | G | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -106 | -166.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E287 E288 | G274-E287 CarbonylContact C-O 3.57Å; G274-E287 WeakPolarHBondContact CA-O 3.47Å; G274-E288 WeakPolarHBondContact CA-O 3.44Å; G274-E288 PolarHBondContact N-O 3.1Å | ||
| 275 | M | 90.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -142.1 | 150 | 179.3 | -64.7 | -174.3 | -84.8 | 0 | 0 | 111 | G55 R57 P233 Y238 G279 H281 E287 | G55-M275 VanDerWaalsContact O-CE 3.3Å; G55-M275 WeakPolarHBondContact O-CE 3.42Å; R57-M275 WeakPolarHBondContact CD-O 3.14Å; R57-M275 PolarHBondContact NH1-O 3.39Å; P233-M275 HydrophobicContact CG-CB 3.96Å; P233-M275 HydrophobicContact CG-CE 4.23Å; Y238-M275 HydrophobicContact CD2-CE 4.39Å; Y238-M275 HydrophobicContact CE2-CE 3.38Å; M275-G279 VanDerWaalsContact SD-O 3.39Å; M275-H281 HydrophobicContact CG-CB 4.13Å; M275-E287 PolarHBondContact N-O 2.91Å; M275-E287 WeakPolarHBondContact O-CB 3.4Å | ||
| 276 | N | 87.5 | Confident | 88.2 | Confident | 38 Ų | 38 | 35 Ų | 35 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | trans | -69.9 | 173.2 | 171.4 | 74.4 | 24.4 | 0 | 0 | 0 | 111.3 | P233 Q278 G279 S280 E288 | P233-N276 WeakPolarHBondContact CG-O 3.13Å; N276-Q278 PolarHBondContact O-N 2.75Å; N276-Q278 VanDerWaalsContact O-N 3.12Å; N276-Q278 WeakPolarHBondContact OD1-CA 3.48Å; N276-Q278 WeakPolarHBondContact OD1-CB 3.29Å; N276-Q278 PolarHBondContact OD1-N 3.04Å; N276-G279 PolarHBondContact O-N 3.02Å; N276-G279 PolarHBondContact OD1-N 3.17Å; N276-G279 VanDerWaalsContact OD1-N 3.13Å; N276-S280 PolarHBondContact N-O 3.4Å; N276-S280 PolarHBondContact ND2-O 2.98Å; N276-S280 PolarHBondContact OD1-N 3.35Å; N276-S280 PolarHBondContact OD1-O 3.44Å; N276-E288 HydrophobicContact CB-CG 4.33Å | ||
| 277 | D | 85.6 | Confident | 88.1 | Confident | 73 Ų | 73 | 36.3 Ų | 36.3 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.6 | -177.4 | -75.5 | -18.4 | 0 | 0 | 0 | 114.6 | R57 L234 | R57-D277 IonicContact CZ-OD1 3.48Å; R57-D277 VanDerWaalsContact CZ-OD1 3.26Å; R57-D277 IonicContact NH1-OD1 3.42Å; R57-D277 PolarHBondContact NH1-OD1 2.8Å; R57-D277 IonicContact NH2-OD1 3.22Å; R57-D277 PolarHBondContact NH2-OD1 3.44Å; L234-D277 HydrophobicContact CD1-CB 3.84Å; L234-D277 HydrophobicContact CG-CB 4.24Å |
| 278 | Q | 79.7 | Confident | 88.1 | Confident | 166 Ų | 166 | 33.9 Ų | 33.9 | 78% | 0.776 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.6 | 175.6 | -61.1 | -179.7 | -8.1 | 0 | 0 | 112.9 | N276 S280 | N276-Q278 PolarHBondContact O-N 2.75Å; N276-Q278 VanDerWaalsContact O-N 3.12Å; N276-Q278 WeakPolarHBondContact OD1-CA 3.48Å; N276-Q278 WeakPolarHBondContact OD1-CB 3.29Å; N276-Q278 PolarHBondContact OD1-N 3.04Å; Q278-S280 VanDerWaalsContact C-N 3.35Å |
| 279 | G | 82.2 | Confident | 88 | Confident | 13 Ų | 13 | 34 Ų | 34 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 87.8 | -2.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G231 M275 N276 | G231-G279 WeakPolarHBondContact O-CA 3.5Å; M275-G279 VanDerWaalsContact SD-O 3.39Å; N276-G279 PolarHBondContact O-N 3.02Å; N276-G279 PolarHBondContact OD1-N 3.17Å; N276-G279 VanDerWaalsContact OD1-N 3.13Å |
| 280 | S | 81.6 | Confident | 88 | Confident | 62 Ų | 62 | 36 Ų | 36 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | trans | -81.7 | 148.2 | 178.2 | -42.7 | 0 | 0 | 0 | 0 | 110.8 | N276 Q278 | N276-S280 PolarHBondContact N-O 3.4Å; N276-S280 PolarHBondContact ND2-O 2.98Å; N276-S280 PolarHBondContact OD1-N 3.35Å; N276-S280 PolarHBondContact OD1-O 3.44Å; Q278-S280 VanDerWaalsContact C-N 3.35Å | ||
| 281 | H | 84.3 | Confident | 87.9 | Confident | 54 Ų | 54 | 36.1 Ų | 36.1 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | trans | -135.7 | -170.9 | 172.3 | 58 | 85.4 | 0 | 0 | 0 | 110.1 | T104 E105 D228 H273 M275 E288 | T104-H281 WeakPolarHBondContact O-CB 3.33Å; T104-H281 PolarHBondContact O-ND1 3.43Å; E105-H281 IonicContact OE1-ND1 2.71Å; E105-H281 IonicContact OE2-CE1 3.64Å; E105-H281 PolarHBondContact OE2-CE1 3.14Å; E105-H281 IonicContact OE2-ND1 2.63Å; E105-H281 PolarHBondContact OE2-ND1 2.87Å; D228-H281 IonicContact OD1-CD2 3.15Å; D228-H281 IonicContact OD1-NE2 3.77Å; H273-H281 AromaticContact CE1-CD2 3.76Å; H273-H281 AromaticContact CE1-CE1 3.78Å; H273-H281 AromaticContact CE1-CG 3.4Å; H273-H281 VanDerWaalsContact CE1-CG 3.4Å; H273-H281 AromaticContact CE1-ND1 3.42Å; H273-H281 PolarHBondContact CE1-ND1 2.8Å; H273-H281 AromaticContact ND1-CG 3.78Å; H273-H281 AromaticContact NE2-ND1 3.83Å; M275-H281 HydrophobicContact CG-CB 4.13Å; H281-E288 VanDerWaalsContact CA-OE1 3.22Å; H281-E288 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 282 | G | 79.3 | Confident | 87.4 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 92.9 | -14.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T104 E105 | T104-G282 WeakPolarHBondContact O-CA 3.5Å; T104-G282 PolarHBondContact O-N 3.36Å; T104-G282 VanDerWaalsContact OG1-C 3.3Å; T104-G282 WeakPolarHBondContact OG1-CA 3.46Å; T104-G282 PolarHBondContact OG1-N 2.86Å; E105-G282 WeakPolarHBondContact OE1-CA 3.24Å; E105-G282 PolarHBondContact OE1-N 2.63Å |
| 283 | G | 79.8 | Confident | 86.5 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -85.3 | -153.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | P102 T104 E288 | P102-G283 WeakPolarHBondContact CB-O 3.4Å; P102-G283 WeakPolarHBondContact CG-O 3.45Å; T104-G283 PolarHBondContact OG1-N 3.49Å; T104-G283 PolarHBondContact OG1-O 3.44Å; T104-G283 VanDerWaalsContact OG1-O 3.11Å; G283-E288 WeakPolarHBondContact CA-OE1 3.49Å; G283-E288 PolarHBondContact N-OE1 3.4Å |
| 284 | G | 82.8 | Confident | 84.9 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | trans | -139.6 | 16.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E288 | G284-E288 PolarHBondContact N-OE2 3.07Š| ||
| 285 | T | 88.4 | Confident | 83.3 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | trans | -66.1 | 156.6 | 175.3 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | E287 E288 T289 | T285-E287 PolarHBondContact O-N 2.84Å; T285-E288 VanDerWaalsContact CB-OE2 3.3Å; T285-E288 WeakPolarHBondContact CB-OE2 3.12Å; T285-E288 VanDerWaalsContact CG2-OE2 3.31Å; T285-E288 WeakPolarHBondContact CG2-OE2 3.32Å; T285-E288 PolarHBondContact N-OE2 3.18Å; T285-E288 PolarHBondContact O-N 3.31Å; T285-E288 VanDerWaalsContact O-N 3.16Å; T285-E288 VanDerWaalsContact OG1-CD 3.28Å; T285-E288 WeakPolarHBondContact OG1-CG 3.07Å; T285-E288 PolarHBondContact OG1-N 3.38Å; T285-E288 PolarHBondContact OG1-OE2 3.2Å; T285-T289 WeakPolarHBondContact O-CB 3.35Å; T285-T289 WeakPolarHBondContact O-CG2 3.12Å; T285-T289 PolarHBondContact O-N 2.71Å; T285-T289 PolarHBondContact O-OG1 3.04Å | ||
| 286 | P | 90.1 | Very high | 82.9 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 49% | 0.494 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.1 | -37.4 | 173.6 | -26.4 | 36.2 | 0 | 0 | 0 | 112.9 | E288 T289 L290 | P286-E288 VanDerWaalsContact C-N 3.3Å; P286-E288 PolarHBondContact O-N 3.36Å; P286-T289 PolarHBondContact O-N 2.81Å; P286-L290 HydrophobicContact CB-CD1 4.02Å; P286-L290 HydrophobicContact CB-CG 4.48Å; P286-L290 WeakPolarHBondContact O-CB 3.39Å; P286-L290 WeakPolarHBondContact O-CG 3.42Å; P286-L290 PolarHBondContact O-N 3.2Å |
| 287 | E | 91.1 | Very high | 83 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.3 | -33.9 | 178.9 | -65.8 | 73.4 | -163.8 | 0 | 0 | 112.4 | R57 G274 M275 T285 | R57-E287 WeakPolarHBondContact CB-O 3.23Å; G274-E287 CarbonylContact C-O 3.57Å; G274-E287 WeakPolarHBondContact CA-O 3.47Å; M275-E287 PolarHBondContact N-O 2.91Å; M275-E287 WeakPolarHBondContact O-CB 3.4Å; T285-E287 PolarHBondContact O-N 2.84Å |
| 288 | E | 91.1 | Very high | 83.4 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -80.9 | -35.7 | 176.5 | -67.5 | 168.2 | 102.1 | 0 | 0 | 112.7 | T104 G274 N276 H281 G283 G284 T285 P286 | T104-E288 HydrophobicContact CG2-CB 4.09Å; T104-E288 VanDerWaalsContact CG2-O 3.24Å; T104-E288 WeakPolarHBondContact CG2-O 3.5Å; G274-E288 WeakPolarHBondContact CA-O 3.44Å; G274-E288 PolarHBondContact N-O 3.1Å; N276-E288 HydrophobicContact CB-CG 4.33Å; H281-E288 VanDerWaalsContact CA-OE1 3.22Å; H281-E288 WeakPolarHBondContact CA-OE1 3.46Å; G283-E288 WeakPolarHBondContact CA-OE1 3.49Å; G283-E288 PolarHBondContact N-OE1 3.4Å; G284-E288 PolarHBondContact N-OE2 3.07Å; T285-E288 VanDerWaalsContact CB-OE2 3.3Å; T285-E288 WeakPolarHBondContact CB-OE2 3.12Å; T285-E288 VanDerWaalsContact CG2-OE2 3.31Å; T285-E288 WeakPolarHBondContact CG2-OE2 3.32Å; T285-E288 PolarHBondContact N-OE2 3.18Å; T285-E288 PolarHBondContact O-N 3.31Å; T285-E288 VanDerWaalsContact O-N 3.16Å; T285-E288 VanDerWaalsContact OG1-CD 3.28Å; T285-E288 WeakPolarHBondContact OG1-CG 3.07Å; T285-E288 PolarHBondContact OG1-N 3.38Å; T285-E288 PolarHBondContact OG1-OE2 3.2Å; P286-E288 VanDerWaalsContact C-N 3.3Å; P286-E288 PolarHBondContact O-N 3.36Å |
| 289 | T | 91.4 | Very high | 84 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -93.4 | -23.5 | -171.2 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | K99 A100 P102 T104 T285 P286 | K99-T289 CarbonylContact C-O 3.42Å; K99-T289 WeakPolarHBondContact CA-O 3.37Å; A100-T289 WeakPolarHBondContact CB-O 3.48Å; A100-T289 PolarHBondContact N-O 3.26Å; A100-T289 WeakPolarHBondContact O-CB 3.4Å; P102-T289 HydrophobicContact CG-CG2 3.98Å; T104-T289 HydrophobicContact CG2-CG2 3.84Å; T285-T289 WeakPolarHBondContact O-CB 3.35Å; T285-T289 WeakPolarHBondContact O-CG2 3.12Å; T285-T289 PolarHBondContact O-N 2.71Å; T285-T289 PolarHBondContact O-OG1 3.04Å; P286-T289 PolarHBondContact O-N 2.81Å |
| 290 | L | 93 | Very high | 84.6 | Confident | 64 Ų | 64 | 29.8 Ų | 29.8 | 34% | 0.335 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.5 | -177.4 | -60.4 | 178 | 0 | 0 | 0 | 110.9 | A58 V97 S98 K99 P286 | A58-L290 HydrophobicContact CB-CB 4.09Å; A58-L290 VanDerWaalsContact CB-O 3.31Å; A58-L290 WeakPolarHBondContact CB-O 3.39Å; A58-L290 PolarHBondContact N-O 3.42Å; V97-L290 HydrophobicContact CG1-CB 3.85Å; V97-L290 HydrophobicContact CG1-CD2 3.96Å; V97-L290 HydrophobicContact CG1-CG 4.34Å; S98-L290 CarbonylContact O-C 3.56Å; S98-L290 VanDerWaalsContact O-CA 3.3Å; S98-L290 WeakPolarHBondContact O-CA 3.34Å; K99-L290 HydrophobicContact CB-CD2 4.42Å; K99-L290 HydrophobicContact CG-CD2 4.42Å; P286-L290 HydrophobicContact CB-CD1 4.02Å; P286-L290 HydrophobicContact CB-CG 4.48Å; P286-L290 WeakPolarHBondContact O-CB 3.39Å; P286-L290 WeakPolarHBondContact O-CG 3.42Å; P286-L290 PolarHBondContact O-N 3.2Å |
| 291 | T | 92.1 | Very high | 85.2 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 164.4 | 178.9 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | V97 S98 A100 A271 H273 | V97-T291 CarbonylContact C-O 3.56Å; V97-T291 WeakPolarHBondContact CA-O 3.43Å; S98-T291 VanDerWaalsContact CB-OG1 3.29Å; S98-T291 WeakPolarHBondContact CB-OG1 3.31Å; S98-T291 PolarHBondContact N-O 2.94Å; S98-T291 PolarHBondContact O-N 3.33Å; S98-T291 PolarHBondContact OG-OG1 3.35Å; A100-T291 HydrophobicContact CB-CG2 4.45Å; A271-T291 HydrophobicContact CB-CG2 3.83Å; A271-T291 WeakPolarHBondContact O-CB 3.37Å; A271-T291 PolarHBondContact O-OG1 3.46Å; A271-T291 VanDerWaalsContact O-OG1 3.12Å; H273-T291 VanDerWaalsContact CA-CG2 3.47Å |
| 292 | P | 85.5 | Confident | 85.7 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 148.5 | 172.2 | -21.4 | 34 | 0 | 0 | 0 | 113.5 | F61 F269 T270 | F61-P292 HydrophobicContact CB-CG 4.13Å; F61-P292 HydrophobicContact CD1-CB 4.37Å; F61-P292 HydrophobicContact CD1-CG 3.99Å; F61-P292 HydrophobicContact CD2-CG 4.49Å; F61-P292 HydrophobicContact CG-CG 3.94Å; F269-P292 HydrophobicContact CD1-CB 4.45Å; F269-P292 HydrophobicContact CE1-CB 4.45Å; F269-P292 HydrophobicContact CE1-CG 4.29Å; T270-P292 PolarHBondContact OG1-O 3.38Å |
| 293 | L | 73.9 | Confident | 86.4 | Confident | 26 Ų | 26 | 24.6 Ų | 24.6 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 65.4 | 178.8 | -178.4 | -74.2 | -177.3 | 0 | 0 | 0 | 116.6 | G96 V97 S98 V268 F269 Y320 | G96-L293 PolarHBondContact O-N 3.48Å; V97-L293 CarbonylContact C-O 3.23Å; V97-L293 VanDerWaalsContact C-O 3.24Å; S98-L293 WeakPolarHBondContact CA-O 3.31Å; S98-L293 WeakPolarHBondContact CB-O 3.32Å; S98-L293 PolarHBondContact N-O 3Å; V268-L293 HydrophobicContact CG1-CD1 3.68Å; F269-L293 WeakPolarHBondContact O-CD1 3.26Å; F269-L293 WeakPolarHBondContact O-CG 3.43Å; L293-Y320 HydrophobicContact CD2-CE1 4.43Å |
| 294 | V | 59.6 | Low | 87.1 | Confident | 39 Ų | 39 | 23.8 Ų | 23.8 | 24% | 0.236 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -139.2 | 150.3 | -174.2 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | V97 I296 Y320 | V97-V294 VanDerWaalsContact O-CG2 3.3Å; V97-V294 WeakPolarHBondContact O-CG2 3.5Å; V294-I296 PolarHBondContact O-N 3.22Å; V294-Y320 HydrophobicContact CB-CE2 4.47Å |
| 295 | D | 59.1 | Low | 87.6 | Confident | 74 Ų | 74 | 22.2 Ų | 22.2 | 40% | 0.396 | 13% | 0.128 | S | C | . | . | trans | 28.5 | 75.7 | 169.1 | -83.8 | -0.8 | 0 | 0 | 0 | 115 | V315 | D295-V315 PolarHBondContact OD2-N 2.89Š| ||
| 296 | I | 82.6 | Confident | 87.7 | Confident | 9 Ų | 9 | 20 Ų | 20 | 5% | 0.046 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -84.4 | -40 | -155.1 | -51.3 | -174.8 | 0 | 0 | 0 | 112.5 | I113 V268 T270 V294 L299 M300 | I113-I296 HydrophobicContact CD1-CD1 4.43Å; I113-I296 HydrophobicContact CG1-CD1 4.14Å; I113-I296 HydrophobicContact CG2-CB 4.26Å; I113-I296 HydrophobicContact CG2-CD1 4.39Å; I113-I296 HydrophobicContact CG2-CG2 4.13Å; V268-I296 HydrophobicContact CG1-CG2 4.13Å; T270-I296 VanDerWaalsContact CB-CD1 3.42Å; T270-I296 HydrophobicContact CG2-CD1 3.52Å; T270-I296 WeakPolarHBondContact OG1-CD1 3.39Å; V294-I296 PolarHBondContact O-N 3.22Å; I296-L299 WeakPolarHBondContact O-CB 3.28Å; I296-L299 PolarHBondContact O-N 3.16Å; I296-M300 HydrophobicContact CG2-CE 3.81Å; I296-M300 HydrophobicContact CG2-CG 3.71Å; I296-M300 HydrophobicContact CG2-SD 3.68Å; I296-M300 WeakPolarHBondContact O-CB 3.39Å; I296-M300 VanDerWaalsContact O-CG 3.27Å; I296-M300 WeakPolarHBondContact O-CG 3.48Å; I296-M300 PolarHBondContact O-N 3.4Å |
| 297 | A | 90.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.9 | -50.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I113 L299 M300 S301 P309 | I113-A297 WeakPolarHBondContact O-CA 3.38Å; I113-A297 VanDerWaalsContact O-CB 3.31Å; I113-A297 WeakPolarHBondContact O-CB 3.47Å; I113-A297 PolarHBondContact O-N 2.89Å; A297-L299 VanDerWaalsContact C-N 3.33Å; A297-L299 PolarHBondContact O-N 2.83Å; A297-M300 PolarHBondContact O-N 2.79Å; A297-S301 PolarHBondContact O-N 3.43Å; A297-S301 PolarHBondContact O-OG 3.21Å; A297-P309 HydrophobicContact CB-CG 4.46Å |
| 298 | P | 92.7 | Very high | 88 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | 176.3 | -17.5 | 30.7 | 0 | 0 | 0 | 112.7 | S301 A302 F308 G314 L316 | P298-S301 PolarHBondContact O-N 2.83Å; P298-A302 WeakPolarHBondContact O-CB 3.27Å; P298-A302 PolarHBondContact O-N 2.73Å; P298-F308 HydrophobicContact CB-CD1 3.88Å; P298-F308 HydrophobicContact CB-CE1 3.86Å; P298-F308 WeakPolarHBondContact O-CE1 3.48Å; P298-G314 WeakPolarHBondContact CG-O 3.25Å; P298-L316 HydrophobicContact CB-CB 4.36Å; P298-L316 HydrophobicContact CB-CD1 4.33Å; P298-L316 WeakPolarHBondContact O-CD1 3.5Å |
| 299 | L | 93.2 | Very high | 88 | Confident | 9 Ų | 9 | 13.5 Ų | 13.5 | 5% | 0.047 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 177.2 | 179.7 | 59.7 | 0 | 0 | 0 | 111 | I296 A297 S301 A302 L303 P317 Y320 L321 | I296-L299 WeakPolarHBondContact O-CB 3.28Å; I296-L299 PolarHBondContact O-N 3.16Å; A297-L299 VanDerWaalsContact C-N 3.33Å; A297-L299 PolarHBondContact O-N 2.83Å; L299-S301 PolarHBondContact O-N 2.93Å; L299-A302 PolarHBondContact O-N 3.3Å; L299-L303 HydrophobicContact CD1-CD1 4.31Å; L299-L303 HydrophobicContact CD1-CG 4.25Å; L299-L303 HydrophobicContact CG-CD1 4.05Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 VanDerWaalsContact O-CG 3.25Å; L299-L303 WeakPolarHBondContact O-CG 3.32Å; L299-L303 PolarHBondContact O-N 2.91Å; L299-P317 HydrophobicContact CB-CG 4.33Å; L299-P317 HydrophobicContact CD1-CG 4.38Å; L299-P317 HydrophobicContact CD2-CG 4.36Å; L299-Y320 HydrophobicContact CD2-CG 4.49Å; L299-L321 HydrophobicContact CD1-CD2 3.92Å; L299-L321 HydrophobicContact CD1-CG 4.28Å |
| 300 | M | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 177.1 | -68.8 | -170.8 | -60.8 | 0 | 0 | 112.1 | L48 L50 I113 F138 I296 A297 A302 L303 I304 | L48-M300 HydrophobicContact CD1-CB 3.8Å; L48-M300 HydrophobicContact CD1-CG 3.76Å; L48-M300 HydrophobicContact CD2-CG 4.43Å; L48-M300 HydrophobicContact CD2-SD 4.15Å; L50-M300 HydrophobicContact CD1-SD 3.99Å; L50-M300 HydrophobicContact CD2-CE 4.4Å; L50-M300 HydrophobicContact CD2-SD 3.73Å; L50-M300 HydrophobicContact CG-SD 4.34Å; I113-M300 HydrophobicContact CG2-CE 4.37Å; I113-M300 WeakPolarHBondContact O-CE 3.41Å; F138-M300 HydrophobicContact CB-CE 4.36Å; F138-M300 HydrophobicContact CD1-CB 4.09Å; F138-M300 HydrophobicContact CD1-CE 3.71Å; F138-M300 HydrophobicContact CD1-SD 4.06Å; F138-M300 HydrophobicContact CD2-CB 3.96Å; F138-M300 HydrophobicContact CE1-CB 3.89Å; F138-M300 HydrophobicContact CE1-CE 4.24Å; F138-M300 HydrophobicContact CE1-CG 4.49Å; F138-M300 HydrophobicContact CE1-SD 3.98Å; F138-M300 VanDerWaalsContact CE2-C 3.44Å; F138-M300 HydrophobicContact CE2-CB 3.75Å; F138-M300 WeakPolarHBondContact CE2-O 3.44Å; F138-M300 HydrophobicContact CG-CB 4.12Å; F138-M300 HydrophobicContact CG-CE 4.13Å; F138-M300 HydrophobicContact CZ-CB 3.7Å; I296-M300 HydrophobicContact CG2-CE 3.81Å; I296-M300 HydrophobicContact CG2-CG 3.71Å; I296-M300 HydrophobicContact CG2-SD 3.68Å; I296-M300 WeakPolarHBondContact O-CB 3.39Å; I296-M300 VanDerWaalsContact O-CG 3.27Å; I296-M300 WeakPolarHBondContact O-CG 3.48Å; I296-M300 PolarHBondContact O-N 3.4Å; A297-M300 PolarHBondContact O-N 2.79Å; M300-A302 VanDerWaalsContact C-N 3.32Å; M300-A302 PolarHBondContact O-N 3.27Å; M300-L303 PolarHBondContact O-N 3.48Å; M300-I304 PolarHBondContact O-N 3.43Å |
| 301 | S | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.1 | -46.3 | 174.8 | -74.3 | 0 | 0 | 0 | 0 | 111.9 | F138 A297 P298 L299 L303 G305 A306 A307 | F138-S301 WeakPolarHBondContact CD2-OG 3.29Å; A297-S301 PolarHBondContact O-N 3.43Å; A297-S301 PolarHBondContact O-OG 3.21Å; P298-S301 PolarHBondContact O-N 2.83Å; L299-S301 PolarHBondContact O-N 2.93Å; S301-L303 PolarHBondContact O-N 2.91Å; S301-G305 CarbonylContact O-C 3.5Å; S301-G305 WeakPolarHBondContact O-CA 3.3Å; S301-G305 PolarHBondContact O-N 3.17Å; S301-A306 PolarHBondContact O-N 3.08Å; S301-A307 WeakPolarHBondContact CB-O 3.5Å; S301-A307 PolarHBondContact OG-O 3.22Å |
| 302 | A | 94.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P298 L299 M300 I304 F308 L316 L321 L331 | P298-A302 WeakPolarHBondContact O-CB 3.27Å; P298-A302 PolarHBondContact O-N 2.73Å; L299-A302 PolarHBondContact O-N 3.3Å; M300-A302 VanDerWaalsContact C-N 3.32Å; M300-A302 PolarHBondContact O-N 3.27Å; A302-I304 VanDerWaalsContact C-N 3.33Å; A302-I304 PolarHBondContact O-N 3.3Å; A302-F308 HydrophobicContact CB-CE1 4.47Å; A302-F308 HydrophobicContact CB-CZ 4.45Å; A302-L316 HydrophobicContact CB-CD1 3.52Å; A302-L316 HydrophobicContact CB-CD2 4.13Å; A302-L316 HydrophobicContact CB-CG 4.5Å; A302-L321 HydrophobicContact CB-CD1 4.11Å; A302-L331 HydrophobicContact CB-CD1 4.33Å; A302-L331 HydrophobicContact CB-CD2 3.87Å |
| 303 | L | 94 | Very high | 88.5 | Confident | 16 Ų | 16 | 12.8 Ų | 12.8 | 8% | 0.084 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.1 | -33.6 | -177.7 | -77.2 | 170.8 | 0 | 0 | 0 | 113.5 | P44 A45 L48 V266 V268 L299 M300 S301 L321 | P44-L303 WeakPolarHBondContact CD-O 3.49Å; P44-L303 HydrophobicContact CG-CB 4.47Å; P44-L303 HydrophobicContact CG-CD2 3.78Å; P44-L303 VanDerWaalsContact CG-O 3.26Å; P44-L303 WeakPolarHBondContact CG-O 3.16Å; A45-L303 PolarHBondContact N-O 2.86Å; L48-L303 HydrophobicContact CD1-CB 4.31Å; L48-L303 HydrophobicContact CD1-CD1 4.12Å; V266-L303 HydrophobicContact CG1-CB 4.08Å; V266-L303 HydrophobicContact CG1-CD1 4.18Å; V266-L303 HydrophobicContact CG2-CD1 3.99Å; V266-L303 HydrophobicContact CG2-CD2 4.11Å; V268-L303 HydrophobicContact CG2-CD1 4Å; L299-L303 HydrophobicContact CD1-CD1 4.31Å; L299-L303 HydrophobicContact CD1-CG 4.25Å; L299-L303 HydrophobicContact CG-CD1 4.05Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 VanDerWaalsContact O-CG 3.25Å; L299-L303 WeakPolarHBondContact O-CG 3.32Å; L299-L303 PolarHBondContact O-N 2.91Å; M300-L303 PolarHBondContact O-N 3.48Å; S301-L303 PolarHBondContact O-N 2.91Å; L303-L321 HydrophobicContact CD2-CD2 3.63Å; L303-L321 HydrophobicContact CG-CD2 4.14Å |
| 304 | I | 94.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -111.7 | 5.7 | 179.2 | 66 | 175.5 | 0 | 0 | 0 | 114.1 | P43 A45 L48 F138 K217 V219 V266 M300 A302 A306 | P43-I304 VanDerWaalsContact CB-C 3.45Å; A45-I304 HydrophobicContact CB-CG2 4.46Å; A45-I304 WeakPolarHBondContact O-CA 3.27Å; L48-I304 HydrophobicContact CB-CG2 3.65Å; L48-I304 HydrophobicContact CD1-CG2 4.48Å; F138-I304 HydrophobicContact CE2-CD1 3.49Å; F138-I304 VanDerWaalsContact CE2-CD1 3.49Å; F138-I304 HydrophobicContact CE2-CG1 3.86Å; F138-I304 HydrophobicContact CZ-CD1 3.4Å; F138-I304 HydrophobicContact CZ-CG1 4.12Å; K217-I304 HydrophobicContact CB-CD1 4.39Å; K217-I304 WeakPolarHBondContact CG-O 3.15Å; V219-I304 HydrophobicContact CG2-CD1 3.75Å; V266-I304 HydrophobicContact CG1-CG2 4.49Å; M300-I304 PolarHBondContact O-N 3.43Å; A302-I304 VanDerWaalsContact C-N 3.33Å; A302-I304 PolarHBondContact O-N 3.3Å; I304-A306 HydrophobicContact CD1-CB 4.29Å; I304-A306 HydrophobicContact CG1-CB 3.99Å; I304-A306 PolarHBondContact O-N 3.43Å |
| 305 | G | 93.2 | Very high | 90.9 | Very high | 16 Ų | 16 | 11.7 Ų | 11.7 | 17% | 0.165 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 26.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K217 S301 | K217-G305 WeakPolarHBondContact CE-O 3.44Å; K217-G305 PolarHBondContact NZ-O 2.81Å; S301-G305 CarbonylContact O-C 3.5Å; S301-G305 WeakPolarHBondContact O-CA 3.3Å; S301-G305 PolarHBondContact O-N 3.17Å |
| 306 | A | 92 | Very high | 92.6 | Very high | 5 Ų | 5 | 8.4 Ų | 8.4 | 4% | 0.041 | 6% | 0.055 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 157.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F138 Q141 S301 I304 | F138-A306 HydrophobicContact CD2-CB 4.35Å; F138-A306 HydrophobicContact CE2-CB 4.14Å; Q141-A306 HydrophobicContact CB-CB 4.14Å; S301-A306 PolarHBondContact O-N 3.08Å; I304-A306 HydrophobicContact CD1-CB 4.29Å; I304-A306 HydrophobicContact CG1-CB 3.99Å; I304-A306 PolarHBondContact O-N 3.43Å |
| 307 | A | 92.3 | Very high | 93 | Very high | 8 Ų | 8 | 8.9 Ų | 8.9 | 7% | 0.066 | 6% | 0.059 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 156.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T36 Q141 S301 | T36-A307 HydrophobicContact CG2-CB 3.34Å; Q141-A307 HydrophobicContact CG-CB 4.3Å; S301-A307 WeakPolarHBondContact CB-O 3.5Å; S301-A307 PolarHBondContact OG-O 3.22Å |
| 308 | F | 93.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | P | Polyproline II helix | trans | -72 | 136.7 | 173.7 | -63.8 | -75.5 | 0 | 0 | 0 | 109.3 | P298 A302 V310 L316 A334 N335 Q338 | P298-F308 HydrophobicContact CB-CD1 3.88Å; P298-F308 HydrophobicContact CB-CE1 3.86Å; P298-F308 WeakPolarHBondContact O-CE1 3.48Å; A302-F308 HydrophobicContact CB-CE1 4.47Å; A302-F308 HydrophobicContact CB-CZ 4.45Å; F308-V310 PolarHBondContact O-N 2.93Å; F308-L316 HydrophobicContact CZ-CD2 4.34Å; F308-A334 HydrophobicContact CD2-CB 4.16Å; F308-A334 HydrophobicContact CE2-CB 3.7Å; F308-N335 HydrophobicContact CD1-CB 4.35Å; F308-N335 HydrophobicContact CD2-CB 4.31Å; F308-N335 HydrophobicContact CE1-CB 4.02Å; F308-N335 HydrophobicContact CE2-CB 3.99Å; F308-N335 HydrophobicContact CG-CB 4.49Å; F308-N335 HydrophobicContact CZ-CB 3.83Å; F308-Q338 HydrophobicContact CB-CB 4.26Å; F308-Q338 HydrophobicContact CB-CG 4.08Å |
| 309 | P | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 134.9 | 177.5 | -22 | 32.6 | 0 | 0 | 0 | 110 | D136 F138 A297 N311 S312 | D136-P309 WeakPolarHBondContact OD2-CA 3.45Å; F138-P309 HydrophobicContact CB-CG 4.22Å; A297-P309 HydrophobicContact CB-CG 4.46Å; P309-N311 PolarHBondContact O-N 3.06Å; P309-N311 VanDerWaalsContact O-N 3.11Å; P309-S312 WeakPolarHBondContact O-CB 3.49Å; P309-S312 PolarHBondContact O-N 2.85Å |
| 310 | V | 92.3 | Very high | 92.5 | Very high | 19 Ų | 19 | 18 Ų | 18 | 12% | 0.115 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.2 | -164.7 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | M34 T36 D136 F308 Q338 | M34-V310 HydrophobicContact CE-CB 3.86Å; M34-V310 HydrophobicContact CE-CG2 3.91Å; M34-V310 WeakPolarHBondContact CE-O 3.27Å; T36-V310 HydrophobicContact CG2-CG1 4.41Å; T36-V310 WeakPolarHBondContact OG1-CG1 3.46Å; D136-V310 HydrophobicContact CB-CG2 3.65Å; D136-V310 PolarHBondContact OD2-N 3.42Å; F308-V310 PolarHBondContact O-N 2.93Å; V310-Q338 VanDerWaalsContact CA-NE2 3.32Å; V310-Q338 PolarHBondContact O-NE2 2.95Å; V310-Q338 VanDerWaalsContact O-NE2 3.1Å |
| 311 | N | 92.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 2.4 | 177.4 | -64.7 | 111.4 | 0 | 0 | 0 | 114 | L30 V31 M34 F117 P309 V313 Q342 | L30-N311 HydrophobicContact CD2-CB 3.73Å; V31-N311 PolarHBondContact N-ND2 3.11Å; V31-N311 VanDerWaalsContact N-ND2 3.1Å; V31-N311 PolarHBondContact O-ND2 3.4Å; M34-N311 VanDerWaalsContact CE-ND2 3.31Å; M34-N311 WeakPolarHBondContact CE-ND2 3.27Å; F117-N311 HydrophobicContact CD1-CB 3.9Å; F117-N311 HydrophobicContact CE1-CB 4.03Å; P309-N311 PolarHBondContact O-N 3.06Å; P309-N311 VanDerWaalsContact O-N 3.11Å; N311-V313 PolarHBondContact O-N 3.4Å; N311-Q342 PolarHBondContact O-NE2 3.26Å |
| 312 | S | 93.7 | Very high | 92 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | trans | -59 | 129.2 | 179.4 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | S115 P309 G314 L339 Q342 | S115-S312 WeakPolarHBondContact O-CA 3.43Å; S115-S312 WeakPolarHBondContact O-CB 3.4Å; P309-S312 WeakPolarHBondContact O-CB 3.49Å; P309-S312 PolarHBondContact O-N 2.85Å; S312-G314 PolarHBondContact OG-N 2.94Å; S312-L339 VanDerWaalsContact O-CD2 3.26Å; S312-L339 WeakPolarHBondContact O-CD2 3.12Å; S312-Q342 PolarHBondContact O-NE2 3.23Å | ||
| 313 | V | 93.5 | Very high | 91.8 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | trans | -105.7 | 7 | 171.3 | -59.7 | 0 | 0 | 0 | 0 | 112 | G116 F117 N311 L401 M404 | G116-V313 WeakPolarHBondContact O-CG2 3.36Å; G116-V313 PolarHBondContact O-N 3.05Å; F117-V313 HydrophobicContact CB-CG2 3.97Å; N311-V313 PolarHBondContact O-N 3.4Å; V313-L401 HydrophobicContact CB-CD2 4.22Å; V313-M404 HydrophobicContact CB-CE 4.45Å; V313-M404 HydrophobicContact CG1-CE 3.93Å; V313-M404 HydrophobicContact CG1-SD 4.34Å | ||
| 314 | G | 91.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | trans | -75.9 | 149.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G116 P298 S312 N335 | G116-G314 PolarHBondContact O-N 2.93Å; P298-G314 WeakPolarHBondContact CG-O 3.25Å; S312-G314 PolarHBondContact OG-N 2.94Å; G314-N335 PolarHBondContact O-ND2 3.3Å | ||
| 315 | V | 93.2 | Very high | 91.7 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 22% | 0.218 | 18% | 0.183 | C | C | . | . | trans | -104.4 | 124 | -178.8 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | D295 P317 M332 V397 | D295-V315 PolarHBondContact OD2-N 2.89Å; V315-P317 WeakPolarHBondContact O-CD 3.21Å; V315-P317 VanDerWaalsContact O-N 3.17Å; V315-M332 HydrophobicContact CG1-CE 4.21Å; V315-V397 HydrophobicContact CB-CG1 4.47Å; V315-V397 HydrophobicContact CG1-CG1 4.15Å; V315-V397 HydrophobicContact CG1-CG2 4.43Å; V315-V397 HydrophobicContact CG2-CG1 3.51Å | ||
| 316 | L | 93.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | trans | -62.3 | 117.1 | -177.5 | -179.9 | 67.6 | 0 | 0 | 0 | 111.6 | P298 A302 F308 L318 L321 L331 M332 N335 | P298-L316 HydrophobicContact CB-CB 4.36Å; P298-L316 HydrophobicContact CB-CD1 4.33Å; P298-L316 WeakPolarHBondContact O-CD1 3.5Å; A302-L316 HydrophobicContact CB-CD1 3.52Å; A302-L316 HydrophobicContact CB-CD2 4.13Å; A302-L316 HydrophobicContact CB-CG 4.5Å; F308-L316 HydrophobicContact CZ-CD2 4.34Å; L316-L318 HydrophobicContact CD2-CD2 3.74Å; L316-L318 HydrophobicContact CG-CD2 4.15Å; L316-L318 PolarHBondContact O-N 2.99Å; L316-L321 HydrophobicContact CD1-CD1 4.16Å; L316-L321 HydrophobicContact CD2-CD1 4.03Å; L316-L321 HydrophobicContact CG-CD1 4.28Å; L316-L331 HydrophobicContact CD2-CB 3.56Å; L316-M332 HydrophobicContact CB-SD 4.4Å; L316-N335 HydrophobicContact CB-CB 4.13Å; L316-N335 PolarHBondContact N-OD1 2.95Å | ||
| 317 | P | 91.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | trans | -85.1 | 88.3 | -178.9 | 35.4 | -35.1 | 0 | 0 | 0 | 110.8 | L299 V315 Q319 Y320 | L299-P317 HydrophobicContact CB-CG 4.33Å; L299-P317 HydrophobicContact CD1-CG 4.38Å; L299-P317 HydrophobicContact CD2-CG 4.36Å; V315-P317 WeakPolarHBondContact O-CD 3.21Å; V315-P317 VanDerWaalsContact O-N 3.17Å; P317-Q319 PolarHBondContact O-N 3.37Å; P317-Y320 HydrophobicContact CB-CD2 3.61Å; P317-Y320 HydrophobicContact CB-CE2 3.88Å; P317-Y320 HydrophobicContact CG-CD2 3.64Å; P317-Y320 HydrophobicContact CG-CE2 4.1Å; P317-Y320 PolarHBondContact O-N 3.15Å; P317-Y320 VanDerWaalsContact O-N 3.1Å | ||
| 318 | L | 91.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 38 Ų | 38 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -56.2 | -15.6 | -175.5 | -65.6 | 177.9 | 0 | 0 | 0 | 116.2 | L316 Y320 L321 K328 M332 A390 | L316-L318 HydrophobicContact CD2-CD2 3.74Å; L316-L318 HydrophobicContact CG-CD2 4.15Å; L316-L318 PolarHBondContact O-N 2.99Å; L318-Y320 VanDerWaalsContact C-N 3.31Å; L318-L321 HydrophobicContact CD2-CD1 4.28Å; L318-L321 PolarHBondContact O-N 3.44Å; L318-K328 HydrophobicContact CD2-CB 4.09Å; L318-K328 HydrophobicContact CD2-CG 4.44Å; L318-K328 PolarHBondContact O-NZ 2.84Å; L318-M332 HydrophobicContact CD1-CB 4.05Å; L318-M332 HydrophobicContact CD1-CG 4.18Å; L318-M332 HydrophobicContact CD1-SD 4.29Å; L318-M332 HydrophobicContact CD2-CB 4.25Å; L318-M332 HydrophobicContact CG-SD 4.39Å; L318-A390 HydrophobicContact CD1-CB 3.79Å |
| 319 | Q | 87.7 | Confident | 92.1 | Very high | 143 Ų | 143 | 38 Ų | 38 | 67% | 0.668 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -70.5 | -25 | 177.7 | 67.6 | -165.1 | 41 | 0 | 0 | 113.1 | P317 L321 | P317-Q319 PolarHBondContact O-N 3.37Å; Q319-L321 VanDerWaalsContact C-N 3.33Å |
| 320 | Y | 87 | Confident | 92.3 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 11% | 0.114 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -86.2 | -4.4 | 177.6 | -63.1 | -79.2 | 0 | 0 | 0 | 113.2 | T94 W95 G96 L293 V294 L299 P317 L318 | T94-Y320 WeakPolarHBondContact OG1-CD1 3.44Å; W95-Y320 WeakPolarHBondContact O-CE1 3.47Å; W95-Y320 PolarHBondContact O-OH 2.92Å; G96-Y320 WeakPolarHBondContact CA-OH 3.45Å; L293-Y320 HydrophobicContact CD2-CE1 4.43Å; V294-Y320 HydrophobicContact CB-CE2 4.47Å; L299-Y320 HydrophobicContact CD2-CG 4.49Å; P317-Y320 HydrophobicContact CB-CD2 3.61Å; P317-Y320 HydrophobicContact CB-CE2 3.88Å; P317-Y320 HydrophobicContact CG-CD2 3.64Å; P317-Y320 HydrophobicContact CG-CE2 4.1Å; P317-Y320 PolarHBondContact O-N 3.15Å; P317-Y320 VanDerWaalsContact O-N 3.1Å; L318-Y320 VanDerWaalsContact C-N 3.31Å |
| 321 | L | 88.9 | Confident | 92.5 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | trans | -102.9 | 114.2 | -178.5 | -63 | 177.1 | 0 | 0 | 0 | 110.4 | L299 A302 L303 L316 L318 Q319 V323 K328 L331 | L299-L321 HydrophobicContact CD1-CD2 3.92Å; L299-L321 HydrophobicContact CD1-CG 4.28Å; A302-L321 HydrophobicContact CB-CD1 4.11Å; L303-L321 HydrophobicContact CD2-CD2 3.63Å; L303-L321 HydrophobicContact CG-CD2 4.14Å; L316-L321 HydrophobicContact CD1-CD1 4.16Å; L316-L321 HydrophobicContact CD2-CD1 4.03Å; L316-L321 HydrophobicContact CG-CD1 4.28Å; L318-L321 HydrophobicContact CD2-CD1 4.28Å; L318-L321 PolarHBondContact O-N 3.44Å; Q319-L321 VanDerWaalsContact C-N 3.33Å; L321-V323 VanDerWaalsContact C-N 3.32Å; L321-V323 HydrophobicContact CB-CG2 4.14Å; L321-V323 PolarHBondContact O-N 3.27Å; L321-K328 WeakPolarHBondContact O-CE 3.44Å; L321-K328 PolarHBondContact O-NZ 3.45Å; L321-L331 HydrophobicContact CD1-CD1 3.84Å | ||
| 322 | N | 87.2 | Confident | 92.6 | Very high | 125 Ų | 125 | 38.7 Ų | 38.7 | 67% | 0.668 | 21% | 0.206 | S | C | * | . | trans | -87.5 | 71.4 | 169.7 | -167.3 | -0.1 | 0 | 0 | 0 | 110.4 | E92 | E92-N322 PolarHBondContact OE2-ND2 3.24Š| ||
| 323 | V | 90.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -131.1 | 161.7 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 111 | P44 L321 N327 K328 L331 | P44-V323 HydrophobicContact CB-CG1 4.29Å; P44-V323 HydrophobicContact CG-CG1 4.41Å; L321-V323 VanDerWaalsContact C-N 3.32Å; L321-V323 HydrophobicContact CB-CG2 4.14Å; L321-V323 PolarHBondContact O-N 3.27Å; V323-N327 HydrophobicContact CB-CB 4.11Å; V323-N327 HydrophobicContact CG2-CB 3.94Å; V323-K328 HydrophobicContact CG2-CG 3.57Å; V323-K328 VanDerWaalsContact O-CE 3.28Å; V323-K328 WeakPolarHBondContact O-CE 3.3Å; V323-L331 HydrophobicContact CG2-CD1 4.35Å |
| 324 | S | 93.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 38.4 Ų | 38.4 | 46% | 0.455 | 20% | 0.204 | S | C | . | . | trans | -54.2 | 150 | 178.8 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | R326 N327 K328 | S324-R326 PolarHBondContact O-N 3.04Å; S324-R326 VanDerWaalsContact O-N 3.12Å; S324-N327 PolarHBondContact O-N 2.98Å; S324-N327 PolarHBondContact OG-N 2.84Å; S324-K328 PolarHBondContact O-N 2.93Å | ||
| 325 | S | 93.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 38.2 Ų | 38.2 | 52% | 0.524 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.9 | -33 | 178.1 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | A329 Y386 | S325-A329 WeakPolarHBondContact O-CB 3.44Å; S325-A329 PolarHBondContact O-N 2.89Å; S325-Y386 WeakPolarHBondContact O-CB 3.14Å |
| 326 | R | 95.3 | Very high | 93.2 | Very high | 104 Ų | 104 | 36.7 Ų | 36.7 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 173.2 | -179.1 | 179.6 | 178 | -87.8 | 2 | 111.7 | S324 A329 L330 Y386 | S324-R326 PolarHBondContact O-N 3.04Å; S324-R326 VanDerWaalsContact O-N 3.12Å; R326-A329 PolarHBondContact O-N 3.41Å; R326-L330 HydrophobicContact CG-CD1 4.25Å; R326-L330 WeakPolarHBondContact O-CG 3.2Å; R326-L330 PolarHBondContact O-N 3.44Å; R326-Y386 HydrophobicContact CB-CD1 4.29Å; R326-Y386 HydrophobicContact CB-CD2 3.87Å; R326-Y386 HydrophobicContact CB-CE1 4.25Å; R326-Y386 HydrophobicContact CB-CE2 3.8Å; R326-Y386 HydrophobicContact CB-CG 4.12Å; R326-Y386 HydrophobicContact CG-CD1 4.26Å; R326-Y386 HydrophobicContact CG-CE1 3.87Å; R326-Y386 HydrophobicContact CG-CE2 4.12Å |
| 327 | N | 94.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 179.6 | -72.2 | 4.2 | 0 | 0 | 0 | 111.2 | A41 D42 V323 S324 A329 L330 L331 | A41-N327 HydrophobicContact CB-CB 3.97Å; D42-N327 PolarHBondContact N-ND2 2.66Å; V323-N327 HydrophobicContact CB-CB 4.11Å; V323-N327 HydrophobicContact CG2-CB 3.94Å; S324-N327 PolarHBondContact O-N 2.98Å; S324-N327 PolarHBondContact OG-N 2.84Å; N327-A329 VanDerWaalsContact C-N 3.32Å; N327-A329 PolarHBondContact O-N 3.34Å; N327-L330 PolarHBondContact O-N 3.35Å; N327-L331 WeakPolarHBondContact O-CB 3.28Å; N327-L331 VanDerWaalsContact O-CG 3.27Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 3.46Å |
| 328 | K | 94.9 | Very high | 93.5 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.4 | -45.7 | 170.9 | -67.8 | -166.7 | -178.9 | -157.9 | 0 | 111.8 | L318 L321 V323 S324 M332 | L318-K328 HydrophobicContact CD2-CB 4.09Å; L318-K328 HydrophobicContact CD2-CG 4.44Å; L318-K328 PolarHBondContact O-NZ 2.84Å; L321-K328 WeakPolarHBondContact O-CE 3.44Å; L321-K328 PolarHBondContact O-NZ 3.45Å; V323-K328 HydrophobicContact CG2-CG 3.57Å; V323-K328 VanDerWaalsContact O-CE 3.28Å; V323-K328 WeakPolarHBondContact O-CE 3.3Å; S324-K328 PolarHBondContact O-N 2.93Å; K328-M332 VanDerWaalsContact O-CB 3.29Å; K328-M332 WeakPolarHBondContact O-CB 3.33Å; K328-M332 PolarHBondContact O-N 3.45Å |
| 329 | A | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S325 R326 N327 L333 F381 Y386 V389 | S325-A329 WeakPolarHBondContact O-CB 3.44Å; S325-A329 PolarHBondContact O-N 2.89Å; R326-A329 PolarHBondContact O-N 3.41Å; N327-A329 VanDerWaalsContact C-N 3.32Å; N327-A329 PolarHBondContact O-N 3.34Å; A329-L333 WeakPolarHBondContact O-CB 3.31Å; A329-L333 PolarHBondContact O-N 3.27Å; A329-F381 HydrophobicContact CB-CE2 4.44Å; A329-Y386 HydrophobicContact CB-CD1 4.2Å; A329-Y386 HydrophobicContact CB-CG 4.46Å; A329-Y386 WeakPolarHBondContact CB-O 3.2Å; A329-V389 HydrophobicContact CB-CB 4.29Å; A329-V389 HydrophobicContact CB-CG1 4.25Å |
| 330 | L | 96 | Very high | 94.2 | Very high | 28 Ų | 28 | 32.4 Ų | 32.4 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.2 | -74.7 | 170 | 0 | 0 | 0 | 112.4 | A39 N40 A41 R326 N327 L333 A334 F381 | A39-L330 HydrophobicContact CB-CB 4.48Å; N40-L330 WeakPolarHBondContact O-CD1 3.3Å; A41-L330 HydrophobicContact CB-CB 4.13Å; A41-L330 HydrophobicContact CB-CD1 4.36Å; R326-L330 HydrophobicContact CG-CD1 4.25Å; R326-L330 WeakPolarHBondContact O-CG 3.2Å; R326-L330 PolarHBondContact O-N 3.44Å; N327-L330 PolarHBondContact O-N 3.35Å; L330-L333 PolarHBondContact O-N 2.91Å; L330-A334 WeakPolarHBondContact O-CB 3.3Å; L330-A334 PolarHBondContact O-N 3.04Å; L330-F381 HydrophobicContact CD1-CZ 4.44Å; L330-F381 HydrophobicContact CD2-CE2 3.7Å; L330-F381 HydrophobicContact CD2-CZ 3.49Å; L330-F381 VanDerWaalsContact CD2-CZ 3.49Å; L330-F381 HydrophobicContact CG-CE2 3.96Å; L330-F381 HydrophobicContact CG-CZ 3.87Å |
| 331 | L | 95.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -46 | 178 | -71 | 165.5 | 0 | 0 | 0 | 111.5 | A39 A41 A302 L316 L321 V323 N327 A334 N335 | A39-L331 HydrophobicContact CB-CD2 3.62Å; A39-L331 HydrophobicContact CB-CG 4.15Å; A41-L331 HydrophobicContact CB-CD2 4.29Å; A41-L331 HydrophobicContact CB-CG 4.02Å; A302-L331 HydrophobicContact CB-CD1 4.33Å; A302-L331 HydrophobicContact CB-CD2 3.87Å; L316-L331 HydrophobicContact CD2-CB 3.56Å; L321-L331 HydrophobicContact CD1-CD1 3.84Å; V323-L331 HydrophobicContact CG2-CD1 4.35Å; N327-L331 WeakPolarHBondContact O-CB 3.28Å; N327-L331 VanDerWaalsContact O-CG 3.27Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 3.46Å; L331-A334 PolarHBondContact O-N 3.43Å; L331-N335 PolarHBondContact O-N 3.35Å |
| 332 | M | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 176.9 | -169.5 | 62 | -165.5 | 0 | 0 | 112 | V315 L316 L318 K328 A334 N335 F336 A390 C393 K394 V397 | V315-M332 HydrophobicContact CG1-CE 4.21Å; L316-M332 HydrophobicContact CB-SD 4.4Å; L318-M332 HydrophobicContact CD1-CB 4.05Å; L318-M332 HydrophobicContact CD1-CG 4.18Å; L318-M332 HydrophobicContact CD1-SD 4.29Å; L318-M332 HydrophobicContact CD2-CB 4.25Å; L318-M332 HydrophobicContact CG-SD 4.39Å; K328-M332 VanDerWaalsContact O-CB 3.29Å; K328-M332 WeakPolarHBondContact O-CB 3.33Å; K328-M332 PolarHBondContact O-N 3.45Å; M332-A334 VanDerWaalsContact C-N 3.33Å; M332-A334 PolarHBondContact O-N 3.31Å; M332-N335 PolarHBondContact O-N 2.55Å; M332-F336 VanDerWaalsContact O-CB 3.24Å; M332-F336 WeakPolarHBondContact O-CB 3.29Å; M332-F336 PolarHBondContact O-N 3.31Å; M332-A390 HydrophobicContact CB-CB 4.29Å; M332-A390 HydrophobicContact CG-CB 4.37Å; M332-C393 HydrophobicContact CE-CB 4.19Å; M332-C393 HydrophobicContact CG-CB 3.75Å; M332-K394 HydrophobicContact CE-CB 3.84Å; M332-K394 HydrophobicContact CE-CG 4.36Å; M332-V397 HydrophobicContact CE-CG2 3.94Å |
| 333 | L | 96.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 26.4 Ų | 26.4 | 13% | 0.131 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.2 | -178.2 | 62.8 | 0 | 0 | 0 | 111.5 | A329 L330 K337 L377 | A329-L333 WeakPolarHBondContact O-CB 3.31Å; A329-L333 PolarHBondContact O-N 3.27Å; L330-L333 PolarHBondContact O-N 2.91Å; L333-K337 HydrophobicContact CD1-CG 4.47Å; L333-K337 HydrophobicContact CG-CD 4.32Å; L333-K337 WeakPolarHBondContact O-CB 3.49Å; L333-K337 VanDerWaalsContact O-CG 3.25Å; L333-K337 WeakPolarHBondContact O-CG 3.12Å; L333-K337 PolarHBondContact O-N 3.49Å; L333-L377 HydrophobicContact CD1-CD1 3.92Å |
| 334 | A | 95.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A39 F308 L330 L331 M332 K337 Q338 | A39-A334 HydrophobicContact CB-CB 3.85Å; F308-A334 HydrophobicContact CD2-CB 4.16Å; F308-A334 HydrophobicContact CE2-CB 3.7Å; L330-A334 WeakPolarHBondContact O-CB 3.3Å; L330-A334 PolarHBondContact O-N 3.04Å; L331-A334 PolarHBondContact O-N 3.43Å; M332-A334 VanDerWaalsContact C-N 3.33Å; M332-A334 PolarHBondContact O-N 3.31Å; A334-K337 PolarHBondContact O-N 2.92Å; A334-Q338 PolarHBondContact O-N 3.25Å |
| 335 | N | 95.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 172.9 | 174.3 | -125.8 | 0 | 0 | 0 | 111.2 | F308 G314 L316 L331 M332 K337 Q338 L339 | F308-N335 HydrophobicContact CD1-CB 4.35Å; F308-N335 HydrophobicContact CD2-CB 4.31Å; F308-N335 HydrophobicContact CE1-CB 4.02Å; F308-N335 HydrophobicContact CE2-CB 3.99Å; F308-N335 HydrophobicContact CG-CB 4.49Å; F308-N335 HydrophobicContact CZ-CB 3.83Å; G314-N335 PolarHBondContact O-ND2 3.3Å; L316-N335 HydrophobicContact CB-CB 4.13Å; L316-N335 PolarHBondContact N-OD1 2.95Å; L331-N335 PolarHBondContact O-N 3.35Å; M332-N335 PolarHBondContact O-N 2.55Å; N335-K337 PolarHBondContact O-N 3.1Å; N335-Q338 PolarHBondContact O-N 3.46Å; N335-L339 WeakPolarHBondContact O-CG 3.42Å; N335-L339 PolarHBondContact O-N 2.92Å; N335-L339 VanDerWaalsContact O-N 3.07Å |
| 336 | F | 97 | Very high | 95.7 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.3 | 175.8 | -98.2 | 0 | 0 | 0 | 112.4 | M332 Q338 L339 L340 M365 L373 L377 C393 W396 V397 V400 | M332-F336 VanDerWaalsContact O-CB 3.24Å; M332-F336 WeakPolarHBondContact O-CB 3.29Å; M332-F336 PolarHBondContact O-N 3.31Å; F336-Q338 VanDerWaalsContact C-N 3.31Å; F336-Q338 PolarHBondContact O-N 3.48Å; F336-L339 PolarHBondContact O-N 2.93Å; F336-L340 HydrophobicContact CE1-CD2 3.98Å; F336-L340 HydrophobicContact CZ-CD2 4.38Å; F336-L340 WeakPolarHBondContact O-CB 3.2Å; F336-L340 PolarHBondContact O-N 3.4Å; F336-M365 HydrophobicContact CZ-CE 4.37Å; F336-L373 HydrophobicContact CE1-CD2 4.09Å; F336-L373 HydrophobicContact CZ-CD2 3.59Å; F336-L377 HydrophobicContact CD1-CD1 4.46Å; F336-L377 HydrophobicContact CE1-CD1 4.2Å; F336-C393 HydrophobicContact CB-CB 4Å; F336-C393 HydrophobicContact CD2-CB 4.3Å; F336-C393 HydrophobicContact CG-CB 4.1Å; F336-W396 HydrophobicContact CE2-CB 3.61Å; F336-W396 HydrophobicContact CZ-CB 4.08Å; F336-V397 HydrophobicContact CD2-CG2 4.03Å; F336-V400 HydrophobicContact CD2-CG2 4.44Å; F336-V400 HydrophobicContact CE2-CG2 3.57Å; F336-V400 HydrophobicContact CZ-CG2 4Å |
| 337 | K | 96.3 | Very high | 95.7 | Very high | 89 Ų | 89 | 18.9 Ų | 18.9 | 39% | 0.387 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 176.4 | -78.8 | 178.5 | 176.6 | -172.9 | 0 | 111.9 | H37 L333 A334 N335 L340 E341 | H37-K337 HydrophobicContact CB-CB 4.33Å; L333-K337 HydrophobicContact CD1-CG 4.47Å; L333-K337 HydrophobicContact CG-CD 4.32Å; L333-K337 WeakPolarHBondContact O-CB 3.49Å; L333-K337 VanDerWaalsContact O-CG 3.25Å; L333-K337 WeakPolarHBondContact O-CG 3.12Å; L333-K337 PolarHBondContact O-N 3.49Å; A334-K337 PolarHBondContact O-N 2.92Å; N335-K337 PolarHBondContact O-N 3.1Å; K337-L340 PolarHBondContact O-N 3.19Å; K337-E341 WeakPolarHBondContact O-CB 3.49Å; K337-E341 PolarHBondContact O-N 2.91Å |
| 338 | Q | 95.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.3 | -168 | 59.3 | 54.6 | 0 | 0 | 112.1 | R35 H37 F308 V310 A334 N335 F336 E341 | R35-Q338 PolarHBondContact O-NE2 3.1Å; R35-Q338 PolarHBondContact O-OE1 3.25Å; H37-Q338 HydrophobicContact CB-CB 4.4Å; F308-Q338 HydrophobicContact CB-CB 4.26Å; F308-Q338 HydrophobicContact CB-CG 4.08Å; V310-Q338 VanDerWaalsContact CA-NE2 3.32Å; V310-Q338 PolarHBondContact O-NE2 2.95Å; V310-Q338 VanDerWaalsContact O-NE2 3.1Å; A334-Q338 PolarHBondContact O-N 3.25Å; N335-Q338 PolarHBondContact O-N 3.46Å; F336-Q338 VanDerWaalsContact C-N 3.31Å; F336-Q338 PolarHBondContact O-N 3.48Å; Q338-E341 PolarHBondContact O-N 3.36Å |
| 339 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.2 | -65.6 | 169.5 | 0 | 0 | 0 | 111.5 | S312 N335 F336 Q342 V397 V400 L401 M404 | S312-L339 VanDerWaalsContact O-CD2 3.26Å; S312-L339 WeakPolarHBondContact O-CD2 3.12Å; N335-L339 WeakPolarHBondContact O-CG 3.42Å; N335-L339 PolarHBondContact O-N 2.92Å; N335-L339 VanDerWaalsContact O-N 3.07Å; F336-L339 PolarHBondContact O-N 2.93Å; L339-Q342 WeakPolarHBondContact O-CB 3.46Å; L339-Q342 PolarHBondContact O-N 3.37Å; L339-V397 HydrophobicContact CD1-CG1 4.12Å; L339-V397 HydrophobicContact CD1-CG2 4.01Å; L339-V400 HydrophobicContact CB-CG1 3.75Å; L339-L401 HydrophobicContact CD2-CD2 4.13Å; L339-M404 HydrophobicContact CD2-CE 4.15Å |
| 340 | L | 96.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 10% | 0.099 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 179.3 | -179.6 | 58 | 0 | 0 | 0 | 112.1 | F336 K337 Q342 V343 L344 M365 I370 V400 | F336-L340 HydrophobicContact CE1-CD2 3.98Å; F336-L340 HydrophobicContact CZ-CD2 4.38Å; F336-L340 WeakPolarHBondContact O-CB 3.2Å; F336-L340 PolarHBondContact O-N 3.4Å; K337-L340 PolarHBondContact O-N 3.19Å; L340-Q342 PolarHBondContact O-N 2.86Å; L340-V343 HydrophobicContact CD1-CB 4.42Å; L340-V343 WeakPolarHBondContact O-CA 3.19Å; L340-V343 WeakPolarHBondContact O-CB 3.25Å; L340-V343 PolarHBondContact O-N 2.82Å; L340-L344 HydrophobicContact CD1-CG 4.28Å; L340-L344 HydrophobicContact CG-CD1 4.07Å; L340-L344 HydrophobicContact CG-CG 4.18Å; L340-L344 WeakPolarHBondContact O-CG 3.37Å; L340-L344 PolarHBondContact O-N 2.84Å; L340-M365 HydrophobicContact CD1-CE 3.46Å; L340-M365 VanDerWaalsContact CD1-CE 3.46Å; L340-M365 HydrophobicContact CD1-SD 4.13Å; L340-I370 HydrophobicContact CD1-CD1 4.39Å; L340-I370 HydrophobicContact CD2-CG2 4.2Å; L340-V400 HydrophobicContact CD1-CG2 4.5Å |
| 341 | E | 95.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 12% | 0.121 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.6 | -40.1 | 176.4 | -167.3 | 76 | -169.5 | 0 | 0 | 111.3 | M34 R35 H37 K337 Q338 V343 L344 V345 | M34-E341 HydrophobicContact CB-CG 3.96Å; M34-E341 HydrophobicContact CG-CG 4.39Å; R35-E341 WeakPolarHBondContact CB-OE1 3.34Å; R35-E341 PolarHBondContact N-OE1 3.48Å; H37-E341 IonicContact CD2-OE2 2.68Å; H37-E341 IonicContact CE1-OE2 3.42Å; H37-E341 IonicContact NE2-OE2 3.42Å; H37-E341 PolarHBondContact NE2-OE2 2.85Å; K337-E341 WeakPolarHBondContact O-CB 3.49Å; K337-E341 PolarHBondContact O-N 2.91Å; Q338-E341 PolarHBondContact O-N 3.36Å; E341-V343 VanDerWaalsContact C-N 3.3Å; E341-V343 PolarHBondContact O-N 2.87Å; E341-L344 PolarHBondContact O-N 2.88Å; E341-V345 WeakPolarHBondContact O-CG2 3.2Å; E341-V345 PolarHBondContact O-N 3.4Å |
| 342 | Q | 95.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 176 | -54.7 | -156.7 | 45.6 | 0 | 0 | 112.7 | M34 N311 S312 L339 L340 R346 M404 | M34-Q342 HydrophobicContact CE-CG 4.05Å; M34-Q342 VanDerWaalsContact SD-CA 3.58Å; M34-Q342 HydrophobicContact SD-CB 3.98Å; M34-Q342 HydrophobicContact SD-CG 3.62Å; N311-Q342 PolarHBondContact O-NE2 3.26Å; S312-Q342 PolarHBondContact O-NE2 3.23Å; L339-Q342 WeakPolarHBondContact O-CB 3.46Å; L339-Q342 PolarHBondContact O-N 3.37Å; L340-Q342 PolarHBondContact O-N 2.86Å; Q342-R346 WeakPolarHBondContact O-CB 3.4Å; Q342-R346 VanDerWaalsContact O-CG 3.29Å; Q342-R346 WeakPolarHBondContact O-CG 3.43Å; Q342-R346 PolarHBondContact O-N 3.35Å; Q342-M404 HydrophobicContact CB-CG 4.09Å; Q342-M404 HydrophobicContact CB-SD 3.47Å; Q342-M404 WeakPolarHBondContact CB-SD 3.45Å; Q342-M404 HydrophobicContact CG-SD 3.97Å |
| 343 | V | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.9 | -48.3 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 110 | L340 E341 V345 R346 M347 V400 M404 Y407 | L340-V343 HydrophobicContact CD1-CB 4.42Å; L340-V343 WeakPolarHBondContact O-CA 3.19Å; L340-V343 WeakPolarHBondContact O-CB 3.25Å; L340-V343 PolarHBondContact O-N 2.82Å; E341-V343 VanDerWaalsContact C-N 3.3Å; E341-V343 PolarHBondContact O-N 2.87Å; V343-V345 PolarHBondContact O-N 3Å; V343-R346 PolarHBondContact O-N 3.18Å; V343-M347 WeakPolarHBondContact O-CB 3.44Å; V343-M347 PolarHBondContact O-N 2.73Å; V343-V400 HydrophobicContact CG2-CG1 3.78Å; V343-V400 WeakPolarHBondContact CG2-O 3.45Å; V343-M404 HydrophobicContact CG2-CB 4.26Å; V343-M404 HydrophobicContact CG2-CG 3.32Å; V343-Y407 HydrophobicContact CG1-CD2 3.97Å; V343-Y407 HydrophobicContact CG1-CE2 3.87Å |
| 344 | L | 95.8 | Very high | 95 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 32% | 0.319 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.4 | -48.2 | -176.6 | -69.8 | 176.1 | 0 | 0 | 0 | 112.1 | L340 E341 R346 M347 E348 I370 | L340-L344 HydrophobicContact CD1-CG 4.28Å; L340-L344 HydrophobicContact CG-CD1 4.07Å; L340-L344 HydrophobicContact CG-CG 4.18Å; L340-L344 WeakPolarHBondContact O-CG 3.37Å; L340-L344 PolarHBondContact O-N 2.84Å; E341-L344 PolarHBondContact O-N 2.88Å; L344-R346 VanDerWaalsContact C-N 3.33Å; L344-R346 PolarHBondContact O-N 3.26Å; L344-M347 PolarHBondContact O-N 3.12Å; L344-E348 WeakPolarHBondContact O-CB 3.19Å; L344-E348 PolarHBondContact O-N 2.94Å; L344-I370 HydrophobicContact CD2-CD1 3.85Å; L344-I370 HydrophobicContact CD2-CG2 4.39Å |
| 345 | V | 95.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 11% | 0.109 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 179.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | V31 M34 E341 V343 R349 | V31-V345 HydrophobicContact CG1-CB 4.2Å; V31-V345 HydrophobicContact CG1-CG1 3.59Å; M34-V345 HydrophobicContact CG-CB 4.23Å; M34-V345 HydrophobicContact CG-CG1 4.41Å; M34-V345 HydrophobicContact CG-CG2 3.93Å; E341-V345 WeakPolarHBondContact O-CG2 3.2Å; E341-V345 PolarHBondContact O-N 3.4Å; V343-V345 PolarHBondContact O-N 3Å; V345-R349 WeakPolarHBondContact O-CB 3.17Å; V345-R349 VanDerWaalsContact O-CG 3.28Å; V345-R349 WeakPolarHBondContact O-CG 3.46Å; V345-R349 PolarHBondContact O-N 2.84Å; V345-R349 VanDerWaalsContact O-N 3.08Å |
| 346 | R | 94.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 9% | 0.087 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.1 | -45.7 | 175 | -77.8 | -176.6 | 162.5 | 100.1 | 2.4 | 112.1 | P29 V31 Q342 V343 L344 E348 R349 K350 Y407 | P29-R346 PolarHBondContact O-NH2 3.05Å; V31-R346 HydrophobicContact CG2-CG 3.89Å; Q342-R346 WeakPolarHBondContact O-CB 3.4Å; Q342-R346 VanDerWaalsContact O-CG 3.29Å; Q342-R346 WeakPolarHBondContact O-CG 3.43Å; Q342-R346 PolarHBondContact O-N 3.35Å; V343-R346 PolarHBondContact O-N 3.18Å; L344-R346 VanDerWaalsContact C-N 3.33Å; L344-R346 PolarHBondContact O-N 3.26Å; R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 3.33Å; R346-R349 PolarHBondContact O-N 2.88Å; R346-K350 VanDerWaalsContact O-CG 3.29Å; R346-K350 WeakPolarHBondContact O-CG 3.4Å; R346-K350 PolarHBondContact O-N 3.41Å; R346-Y407 HydrophobicContact CB-CG 4.42Å |
| 347 | M | 95.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 177.5 | 176.7 | -179.4 | 178 | 0 | 0 | 110.5 | V343 L344 K350 R351 F359 E361 A367 Y407 | V343-M347 WeakPolarHBondContact O-CB 3.44Å; V343-M347 PolarHBondContact O-N 2.73Å; L344-M347 PolarHBondContact O-N 3.12Å; M347-K350 PolarHBondContact O-N 3.01Å; M347-R351 VanDerWaalsContact O-CB 3.3Å; M347-R351 WeakPolarHBondContact O-CB 3.26Å; M347-R351 PolarHBondContact O-N 3.21Å; M347-F359 HydrophobicContact CE-CE1 4.43Å; M347-F359 HydrophobicContact CE-CZ 4.42Å; M347-F359 HydrophobicContact CG-CZ 4.02Å; M347-E361 VanDerWaalsContact CE-CD 3.41Å; M347-E361 HydrophobicContact CE-CG 3.78Å; M347-E361 WeakPolarHBondContact CE-OE1 3.37Å; M347-A367 HydrophobicContact CE-CB 4.07Å; M347-Y407 HydrophobicContact CB-CD1 4.47Å; M347-Y407 HydrophobicContact CB-CD2 4.26Å; M347-Y407 HydrophobicContact CB-CE1 4.07Å; M347-Y407 HydrophobicContact CB-CE2 3.85Å; M347-Y407 HydrophobicContact CG-CE1 4.06Å; M347-Y407 HydrophobicContact CG-CE2 4.22Å; M347-Y407 WeakPolarHBondContact CG-OH 3.38Å |
| 348 | E | 93.7 | Very high | 93.8 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 178.8 | -177.6 | 156.1 | -124 | 0 | 0 | 112 | L344 R346 K350 R351 E352 | L344-E348 WeakPolarHBondContact O-CB 3.19Å; L344-E348 PolarHBondContact O-N 2.94Å; R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 3.33Å; E348-K350 VanDerWaalsContact C-N 3.29Å; E348-K350 PolarHBondContact O-N 3.31Å; E348-R351 CarbonylContact O-C 3.54Å; E348-R351 WeakPolarHBondContact O-CB 3.16Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 VanDerWaalsContact O-N 3.09Å; E348-R351 IonicContact OE1-NH2 3.21Å; E348-R351 PolarHBondContact OE1-NH2 2.86Å; E348-E352 HydrophobicContact CG-CG 4.42Å; E348-E352 WeakPolarHBondContact O-CG 3.33Å; E348-E352 PolarHBondContact O-N 3.07Å |
| 349 | R | 93.2 | Very high | 93.7 | Very high | 119 Ų | 119 | 57.7 Ų | 57.7 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 175.4 | -74.4 | 176.2 | -178.4 | 176.2 | 5.3 | 112.9 | H32 V345 R346 M353 | H32-R349 PolarHBondContact O-NH2 2.83Å; V345-R349 WeakPolarHBondContact O-CB 3.17Å; V345-R349 VanDerWaalsContact O-CG 3.28Å; V345-R349 WeakPolarHBondContact O-CG 3.46Å; V345-R349 PolarHBondContact O-N 2.84Å; V345-R349 VanDerWaalsContact O-N 3.08Å; R346-R349 PolarHBondContact O-N 2.88Å; R349-M353 VanDerWaalsContact O-CB 3.28Å; R349-M353 WeakPolarHBondContact O-CB 3.26Å; R349-M353 PolarHBondContact O-N 2.58Å |
| 350 | K | 93.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 175.9 | -64.3 | -56.1 | -179 | 175.4 | 0 | 111.2 | R346 M347 E348 E352 M353 Y354 F359 Y407 E411 | R346-K350 VanDerWaalsContact O-CG 3.29Å; R346-K350 WeakPolarHBondContact O-CG 3.4Å; R346-K350 PolarHBondContact O-N 3.41Å; M347-K350 PolarHBondContact O-N 3.01Å; E348-K350 VanDerWaalsContact C-N 3.29Å; E348-K350 PolarHBondContact O-N 3.31Å; K350-E352 VanDerWaalsContact C-N 3.33Å; K350-E352 PolarHBondContact O-N 3.37Å; K350-M353 HydrophobicContact CD-CE 3.96Å; K350-M353 PolarHBondContact O-N 2.95Å; K350-Y354 VanDerWaalsContact O-CD2 3.29Å; K350-Y354 WeakPolarHBondContact O-CD2 3.26Å; K350-Y354 PolarHBondContact O-N 3.1Å; K350-F359 HydrophobicContact CB-CD2 4.37Å; K350-F359 HydrophobicContact CB-CE2 3.88Å; K350-Y407 HydrophobicContact CB-CD1 4.39Å; K350-Y407 VanDerWaalsContact CE-O 3.22Å; K350-Y407 WeakPolarHBondContact CE-O 3.3Å; K350-Y407 HydrophobicContact CG-CD1 4.23Å; K350-E411 WeakPolarHBondContact CD-OE1 3.3Å; K350-E411 WeakPolarHBondContact CE-OE1 3.29Å; K350-E411 IonicContact NZ-OE1 2.69Å; K350-E411 PolarHBondContact NZ-OE1 3.46Å; K350-E411 IonicContact NZ-OE2 3.63Å; K350-E411 PolarHBondContact NZ-OE2 2.99Å |
| 351 | R | 94.1 | Very high | 93.5 | Very high | 116 Ų | 116 | 68.8 Ų | 68.8 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 175.9 | -175.2 | -178.3 | 64.8 | -170.2 | -2.6 | 112.7 | M347 E348 F359 | M347-R351 VanDerWaalsContact O-CB 3.3Å; M347-R351 WeakPolarHBondContact O-CB 3.26Å; M347-R351 PolarHBondContact O-N 3.21Å; E348-R351 CarbonylContact O-C 3.54Å; E348-R351 WeakPolarHBondContact O-CB 3.16Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 VanDerWaalsContact O-N 3.09Å; E348-R351 IonicContact OE1-NH2 3.21Å; E348-R351 PolarHBondContact OE1-NH2 2.86Å; R351-F359 HydrophobicContact CB-CD1 4.19Å; R351-F359 HydrophobicContact CB-CD2 4.23Å; R351-F359 HydrophobicContact CB-CE1 3.92Å; R351-F359 HydrophobicContact CB-CE2 3.99Å; R351-F359 HydrophobicContact CB-CG 4.32Å; R351-F359 HydrophobicContact CB-CZ 3.83Å; R351-F359 HydrophobicContact CG-CD1 4.04Å; R351-F359 HydrophobicContact CG-CE1 4.02Å; R351-F359 HydrophobicContact CG-CG 4.44Å; R351-F359 HydrophobicContact CG-CZ 4.44Å |
| 352 | E | 92.9 | Very high | 93.6 | Very high | 134 Ų | 134 | 67.9 Ų | 67.9 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -73.2 | -35.9 | 175.8 | -72.6 | 175.5 | 171.5 | 0 | 0 | 112.1 | E348 K350 | E348-E352 HydrophobicContact CG-CG 4.42Å; E348-E352 WeakPolarHBondContact O-CG 3.33Å; E348-E352 PolarHBondContact O-N 3.07Å; K350-E352 VanDerWaalsContact C-N 3.33Å; K350-E352 PolarHBondContact O-N 3.37Å |
| 353 | M | 92.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 71.7 Ų | 71.7 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.6 | -48 | 176.9 | -172.5 | 169.8 | 79.4 | 0 | 0 | 110.8 | R349 K350 E411 N465 F467 | R349-M353 VanDerWaalsContact O-CB 3.28Å; R349-M353 WeakPolarHBondContact O-CB 3.26Å; R349-M353 PolarHBondContact O-N 2.58Å; K350-M353 HydrophobicContact CD-CE 3.96Å; K350-M353 PolarHBondContact O-N 2.95Å; M353-E411 WeakPolarHBondContact CE-OE1 3.36Å; M353-N465 CarbonylContact C-O 3.58Å; M353-N465 WeakPolarHBondContact CG-O 3.26Å; M353-N465 CarbonylContact O-C 3.41Å; M353-N465 WeakPolarHBondContact O-CA 3.33Å; M353-F467 HydrophobicContact CE-CD1 4.36Å; M353-F467 HydrophobicContact CE-CE1 4.24Å; M353-F467 HydrophobicContact CG-CD1 4.44Å; M353-F467 HydrophobicContact SD-CD1 4.44Å |
| 354 | Y | 93.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 75.3 Ų | 75.3 | 8% | 0.078 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -87.7 | 143.4 | -175.8 | -77.3 | -92 | 0 | 0 | 0 | 113.4 | K350 F358 Y410 E411 N465 F467 | K350-Y354 VanDerWaalsContact O-CD2 3.29Å; K350-Y354 WeakPolarHBondContact O-CD2 3.26Å; K350-Y354 PolarHBondContact O-N 3.1Å; Y354-F358 HydrophobicContact CD1-CB 3.92Å; Y354-Y410 HydrophobicContact CD2-CD1 4.44Å; Y354-Y410 AromaticContact CD2-CE1 3.91Å; Y354-Y410 HydrophobicContact CD2-CE1 3.91Å; Y354-Y410 HydrophobicContact CE1-CE1 4.26Å; Y354-Y410 AromaticContact CE2-CD1 3.62Å; Y354-Y410 HydrophobicContact CE2-CD1 3.62Å; Y354-Y410 AromaticContact CE2-CE1 3.4Å; Y354-Y410 HydrophobicContact CE2-CE1 3.4Å; Y354-Y410 VanDerWaalsContact CE2-CE1 3.4Å; Y354-Y410 AromaticContact CZ-CD1 3.94Å; Y354-Y410 AromaticContact CZ-CE1 3.62Å; Y354-E411 WeakPolarHBondContact CE2-OE1 3.15Å; Y354-E411 VanDerWaalsContact OH-CG 3.25Å; Y354-E411 WeakPolarHBondContact OH-CG 3.28Å; Y354-E411 PolarHBondContact OH-OE1 3.23Å; Y354-N465 WeakPolarHBondContact CA-OD1 3.48Å; Y354-N465 HydrophobicContact CD1-CB 4.22Å; Y354-N465 VanDerWaalsContact CD1-OD1 3.24Å; Y354-N465 WeakPolarHBondContact CD1-OD1 3.45Å; Y354-F467 HydrophobicContact CD1-CE1 4.41Å; Y354-F467 AromaticContact CE1-CE1 3.66Å; Y354-F467 HydrophobicContact CE1-CE1 3.66Å; Y354-F467 AromaticContact CE1-CZ 3.73Å; Y354-F467 HydrophobicContact CE1-CZ 3.73Å; Y354-F467 HydrophobicContact CE2-CE1 4.18Å; Y354-F467 AromaticContact CZ-CE1 3.51Å; Y354-F467 AromaticContact CZ-CZ 3.82Å; Y354-F467 WeakPolarHBondContact OH-CE1 3.43Å; Y354-F467 WeakPolarHBondContact OH-CZ 3.1Å |
| 355 | W | 91 | Very high | 93.5 | Very high | 137 Ų | 137 | 72.4 Ų | 72.4 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | trans | -62.1 | 147.6 | 163.6 | -88.3 | 29.6 | 0 | 0 | 0 | 110.9 | I357 F358 F359 C464 N465 | W355-I357 PolarHBondContact O-N 3.34Å; W355-F358 HydrophobicContact CB-CD2 4.07Å; W355-F358 PolarHBondContact O-N 3.21Å; W355-F359 PolarHBondContact O-N 3.42Å; W355-F359 VanDerWaalsContact O-N 3.08Å; W355-C464 HydrophobicContact CD2-CB 4.14Å; W355-C464 HydrophobicContact CG-CB 4.33Å; W355-C464 HydrophobicContact CZ2-CB 4.18Å; W355-C464 PolarHBondContact NE1-O 2.82Å; W355-C464 VanDerWaalsContact NE1-O 3.12Å; W355-N465 PolarHBondContact N-OD1 3.08Å | ||
| 356 | S | 88.4 | Confident | 93.5 | Very high | 109 Ų | 109 | 73.4 Ų | 73.4 | 76% | 0.762 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -29.7 | -172.2 | 57.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 357 | I | 90.4 | Very high | 93.4 | Very high | 140 Ų | 140 | 73.6 Ų | 73.6 | 72% | 0.718 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -28.6 | 179 | -60.6 | 170.3 | 0 | 0 | 0 | 112.2 | W355 | W355-I357 PolarHBondContact O-N 3.34Š|
| 358 | F | 89.6 | Confident | 93.4 | Very high | 94 Ų | 94 | 79.9 Ų | 79.9 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -21.1 | -177.6 | -61.4 | -60.3 | 0 | 0 | 0 | 113.2 | Y354 W355 L461 | Y354-F358 HydrophobicContact CD1-CB 3.92Å; W355-F358 HydrophobicContact CB-CD2 4.07Å; W355-F358 PolarHBondContact O-N 3.21Å; F358-L461 HydrophobicContact CE2-CD2 3.96Å; F358-L461 HydrophobicContact CZ-CD2 3.94Å |
| 359 | F | 94.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 79.2 Ų | 79.2 | 11% | 0.114 | 38% | 0.376 | C | S | . | . | trans | -69.7 | 132.2 | 174.4 | -178.9 | -110.9 | 0 | 0 | 0 | 111.4 | M347 K350 R351 W355 E361 Y407 | M347-F359 HydrophobicContact CE-CE1 4.43Å; M347-F359 HydrophobicContact CE-CZ 4.42Å; M347-F359 HydrophobicContact CG-CZ 4.02Å; K350-F359 HydrophobicContact CB-CD2 4.37Å; K350-F359 HydrophobicContact CB-CE2 3.88Å; R351-F359 HydrophobicContact CB-CD1 4.19Å; R351-F359 HydrophobicContact CB-CD2 4.23Å; R351-F359 HydrophobicContact CB-CE1 3.92Å; R351-F359 HydrophobicContact CB-CE2 3.99Å; R351-F359 HydrophobicContact CB-CG 4.32Å; R351-F359 HydrophobicContact CB-CZ 3.83Å; R351-F359 HydrophobicContact CG-CD1 4.04Å; R351-F359 HydrophobicContact CG-CE1 4.02Å; R351-F359 HydrophobicContact CG-CG 4.44Å; R351-F359 HydrophobicContact CG-CZ 4.44Å; W355-F359 PolarHBondContact O-N 3.42Å; W355-F359 VanDerWaalsContact O-N 3.08Å; F359-E361 HydrophobicContact CD1-CG 4.41Å; F359-E361 HydrophobicContact CE1-CG 3.64Å; F359-E361 HydrophobicContact CZ-CG 4.27Å; F359-Y407 HydrophobicContact CE2-CE1 4.11Å; F359-Y407 HydrophobicContact CZ-CE1 4.12Å | ||
| 360 | R | 94.4 | Very high | 93.6 | Very high | 184 Ų | 184 | 74.4 Ų | 74.4 | 69% | 0.694 | 36% | 0.359 | S | S | * | . | trans | -127.3 | 117.1 | 177.9 | -66.4 | -171.4 | 178.6 | -159.9 | -0.1 | 109.8 | Y406 Y410 | R360-Y406 PolarHBondContact O-OH 2.86Å; R360-Y410 PolarHBondContact N-OH 3.35Å; R360-Y410 WeakPolarHBondContact O-CE2 2.98Å | ||
| 361 | E | 94.5 | Very high | 93.7 | Very high | 68 Ų | 68 | 80.4 Ų | 80.4 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | trans | -63.7 | 154.5 | 174.4 | -61.8 | -164.8 | 169.8 | 0 | 0 | 111.7 | M347 F359 P363 T366 A367 | M347-E361 VanDerWaalsContact CE-CD 3.41Å; M347-E361 HydrophobicContact CE-CG 3.78Å; M347-E361 WeakPolarHBondContact CE-OE1 3.37Å; F359-E361 HydrophobicContact CD1-CG 4.41Å; F359-E361 HydrophobicContact CE1-CG 3.64Å; F359-E361 HydrophobicContact CZ-CG 4.27Å; E361-P363 WeakPolarHBondContact O-CD 3.35Å; E361-T366 WeakPolarHBondContact OE2-CA 3.21Å; E361-T366 WeakPolarHBondContact OE2-CB 2.95Å; E361-A367 PolarHBondContact OE2-N 3.27Å | ||
| 362 | F | 96.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 78.4 Ų | 78.4 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | trans | -66.1 | 118 | 171.6 | 178.9 | -129 | 0 | 0 | 0 | 109 | D364 M365 T366 T399 Q402 Y406 Y407 | F362-D364 VanDerWaalsContact C-N 3.27Å; F362-D364 HydrophobicContact CD1-CB 4.46Å; F362-D364 HydrophobicContact CE1-CB 3.73Å; F362-D364 HydrophobicContact CE2-CB 4.36Å; F362-D364 HydrophobicContact CZ-CB 3.64Å; F362-D364 WeakPolarHBondContact CZ-OD2 3.47Å; F362-D364 PolarHBondContact O-N 2.68Å; F362-M365 HydrophobicContact CD1-CB 3.72Å; F362-M365 HydrophobicContact CE1-CB 4.14Å; F362-M365 CarbonylContact O-C 2.87Å; F362-M365 VanDerWaalsContact O-C 3.29Å; F362-M365 PolarHBondContact O-N 2.86Å; F362-M365 VanDerWaalsContact O-N 3.08Å; F362-T366 PolarHBondContact O-N 3.41Å; F362-T399 HydrophobicContact CE1-CG2 3.99Å; F362-Q402 HydrophobicContact CE2-CG 4.14Å; F362-Q402 HydrophobicContact CZ-CB 4.08Å; F362-Q402 HydrophobicContact CZ-CG 3.69Å; F362-Y406 HydrophobicContact CB-CD1 3.69Å; F362-Y406 HydrophobicContact CB-CE1 3.97Å; F362-Y406 HydrophobicContact CB-CG 4.2Å; F362-Y406 HydrophobicContact CD2-CD1 4.05Å; F362-Y406 AromaticContact CD2-CD2 3.92Å; F362-Y406 HydrophobicContact CD2-CD2 3.92Å; F362-Y406 AromaticContact CD2-CG 3.66Å; F362-Y406 HydrophobicContact CD2-CG 3.66Å; F362-Y406 HydrophobicContact CG-CD1 4.19Å; F362-Y406 HydrophobicContact CG-CG 4.21Å; F362-Y407 HydrophobicContact CB-CE2 3.92Å; F362-Y407 PolarHBondContact N-OH 3.48Å | ||
| 363 | P | 95.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 72.5 Ų | 72.5 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31 | -168.5 | 22.5 | -34.9 | 0 | 0 | 0 | 113.8 | E361 M365 | E361-P363 WeakPolarHBondContact O-CD 3.35Å; P363-M365 VanDerWaalsContact C-N 3.31Å |
| 364 | D | 95.5 | Very high | 94.2 | Very high | 76 Ų | 76 | 73 Ų | 73 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.9 | -178.3 | -52 | -38.9 | 0 | 0 | 0 | 112.7 | F362 T399 | F362-D364 VanDerWaalsContact C-N 3.27Å; F362-D364 HydrophobicContact CD1-CB 4.46Å; F362-D364 HydrophobicContact CE1-CB 3.73Å; F362-D364 HydrophobicContact CE2-CB 4.36Å; F362-D364 HydrophobicContact CZ-CB 3.64Å; F362-D364 WeakPolarHBondContact CZ-OD2 3.47Å; F362-D364 PolarHBondContact O-N 2.68Å; D364-T399 HydrophobicContact CB-CG2 3.93Å |
| 365 | M | 94 | Very high | 94.4 | Very high | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -151.7 | 69.8 | 178.5 | -158.5 | 174.5 | -166.3 | 0 | 0 | 112.3 | F336 L340 F362 P363 I370 L373 W396 T399 V400 | F336-M365 HydrophobicContact CZ-CE 4.37Å; L340-M365 HydrophobicContact CD1-CE 3.46Å; L340-M365 VanDerWaalsContact CD1-CE 3.46Å; L340-M365 HydrophobicContact CD1-SD 4.13Å; F362-M365 HydrophobicContact CD1-CB 3.72Å; F362-M365 HydrophobicContact CE1-CB 4.14Å; F362-M365 CarbonylContact O-C 2.87Å; F362-M365 VanDerWaalsContact O-C 3.29Å; F362-M365 PolarHBondContact O-N 2.86Å; F362-M365 VanDerWaalsContact O-N 3.08Å; P363-M365 VanDerWaalsContact C-N 3.31Å; M365-I370 HydrophobicContact CE-CG1 3.93Å; M365-I370 HydrophobicContact CG-CD1 4.15Å; M365-I370 HydrophobicContact CG-CG1 3.69Å; M365-I370 HydrophobicContact SD-CG1 4.41Å; M365-L373 HydrophobicContact CE-CD2 4.19Å; M365-W396 HydrophobicContact CE-CE3 4.4Å; M365-W396 HydrophobicContact CG-CZ3 4.39Å; M365-T399 HydrophobicContact CB-CG2 4.23Å; M365-V400 HydrophobicContact CE-CG2 3.67Å; M365-V400 HydrophobicContact SD-CG2 3.73Å |
| 366 | T | 95.2 | Very high | 94.7 | Very high | 38 Ų | 38 | 73.3 Ų | 73.3 | 23% | 0.233 | 38% | 0.378 | C | S | . | . | trans | -69.6 | 161.7 | 175.5 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | E361 F362 Q368 Q369 I370 | E361-T366 WeakPolarHBondContact OE2-CA 3.21Å; E361-T366 WeakPolarHBondContact OE2-CB 2.95Å; F362-T366 PolarHBondContact O-N 3.41Å; T366-Q368 PolarHBondContact O-N 3.16Å; T366-Q368 VanDerWaalsContact O-N 3.12Å; T366-Q369 PolarHBondContact O-N 3.11Å; T366-Q369 WeakPolarHBondContact OG1-CG 3.48Å; T366-Q369 PolarHBondContact OG1-N 3.19Å; T366-Q369 PolarHBondContact OG1-OE1 3.42Å; T366-I370 WeakPolarHBondContact O-CG1 3.36Å; T366-I370 PolarHBondContact O-N 3.01Å | ||
| 367 | A | 92.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 68.5 Ų | 68.5 | 22% | 0.223 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.6 | -29.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M347 E361 R371 | M347-A367 HydrophobicContact CE-CB 4.07Å; E361-A367 PolarHBondContact OE2-N 3.27Å; A367-R371 WeakPolarHBondContact O-CG 3.25Å; A367-R371 PolarHBondContact O-N 2.86Å; A367-R371 PolarHBondContact O-NE 3.5Å |
| 368 | Q | 94.8 | Very high | 95.4 | Very high | 141 Ų | 141 | 68.1 Ų | 68.1 | 66% | 0.659 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.2 | -42.5 | 175 | -175.5 | 176.3 | 2.5 | 0 | 0 | 112 | T366 I370 R371 T372 | T366-Q368 PolarHBondContact O-N 3.16Å; T366-Q368 VanDerWaalsContact O-N 3.12Å; Q368-I370 VanDerWaalsContact C-N 3.32Å; Q368-I370 PolarHBondContact O-N 2.86Å; Q368-R371 PolarHBondContact O-N 3.15Å; Q368-T372 WeakPolarHBondContact O-CB 3.46Å; Q368-T372 PolarHBondContact O-N 3.12Å; Q368-T372 PolarHBondContact O-OG1 3.46Å |
| 369 | Q | 96.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 70.1 Ų | 70.1 | 34% | 0.341 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 175.9 | -74.6 | 165.8 | -46.2 | 0 | 0 | 111.4 | T366 R371 T372 L373 | T366-Q369 PolarHBondContact O-N 3.11Å; T366-Q369 WeakPolarHBondContact OG1-CG 3.48Å; T366-Q369 PolarHBondContact OG1-N 3.19Å; T366-Q369 PolarHBondContact OG1-OE1 3.42Å; Q369-R371 PolarHBondContact O-N 2.98Å; Q369-T372 PolarHBondContact O-N 3.43Å; Q369-L373 VanDerWaalsContact O-CB 3.27Å; Q369-L373 WeakPolarHBondContact O-CB 3.5Å; Q369-L373 PolarHBondContact O-N 3.38Å |
| 370 | I | 96.3 | Very high | 96 | Very high | 18 Ų | 18 | 69.7 Ų | 69.7 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.5 | -64 | 172.8 | 0 | 0 | 0 | 111 | L340 L344 M365 T366 Q368 L373 A374 | L340-I370 HydrophobicContact CD1-CD1 4.39Å; L340-I370 HydrophobicContact CD2-CG2 4.2Å; L344-I370 HydrophobicContact CD2-CD1 3.85Å; L344-I370 HydrophobicContact CD2-CG2 4.39Å; M365-I370 HydrophobicContact CE-CG1 3.93Å; M365-I370 HydrophobicContact CG-CD1 4.15Å; M365-I370 HydrophobicContact CG-CG1 3.69Å; M365-I370 HydrophobicContact SD-CG1 4.41Å; T366-I370 WeakPolarHBondContact O-CG1 3.36Å; T366-I370 PolarHBondContact O-N 3.01Å; Q368-I370 VanDerWaalsContact C-N 3.32Å; Q368-I370 PolarHBondContact O-N 2.86Å; I370-L373 PolarHBondContact O-N 2.52Å; I370-A374 PolarHBondContact O-N 2.81Å |
| 371 | R | 95.9 | Very high | 96 | Very high | 163 Ų | 163 | 63.2 Ų | 63.2 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62 | -48.2 | 176.4 | -75.7 | -177.6 | -75.2 | -170.5 | 1 | 111.8 | A367 Q368 Q369 L373 A374 D375 | A367-R371 WeakPolarHBondContact O-CG 3.25Å; A367-R371 PolarHBondContact O-N 2.86Å; A367-R371 PolarHBondContact O-NE 3.5Å; Q368-R371 PolarHBondContact O-N 3.15Å; Q369-R371 PolarHBondContact O-N 2.98Å; R371-L373 VanDerWaalsContact C-N 3.27Å; R371-L373 PolarHBondContact O-N 2.8Å; R371-A374 WeakPolarHBondContact O-CB 3.48Å; R371-A374 PolarHBondContact O-N 3.29Å; R371-A374 VanDerWaalsContact O-N 3.11Å; R371-D375 VanDerWaalsContact O-CG 3.27Å; R371-D375 PolarHBondContact O-N 2.72Å |
| 372 | T | 97.2 | Very high | 96.1 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 178.1 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | Q368 Q369 T376 | Q368-T372 WeakPolarHBondContact O-CB 3.46Å; Q368-T372 PolarHBondContact O-N 3.12Å; Q368-T372 PolarHBondContact O-OG1 3.46Å; Q369-T372 PolarHBondContact O-N 3.43Å; T372-T376 VanDerWaalsContact O-CB 3.3Å; T372-T376 WeakPolarHBondContact O-CB 3.16Å; T372-T376 PolarHBondContact O-N 3.13Å; T372-T376 PolarHBondContact O-OG1 3.42Å |
| 373 | L | 97 | Very high | 96.1 | Very high | 11 Ų | 11 | 69.2 Ų | 69.2 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 176.3 | 178.7 | 59.4 | 0 | 0 | 0 | 111.5 | F336 M365 Q369 I370 R371 T376 L377 V392 W396 | F336-L373 HydrophobicContact CE1-CD2 4.09Å; F336-L373 HydrophobicContact CZ-CD2 3.59Å; M365-L373 HydrophobicContact CE-CD2 4.19Å; Q369-L373 VanDerWaalsContact O-CB 3.27Å; Q369-L373 WeakPolarHBondContact O-CB 3.5Å; Q369-L373 PolarHBondContact O-N 3.38Å; I370-L373 PolarHBondContact O-N 2.52Å; R371-L373 VanDerWaalsContact C-N 3.27Å; R371-L373 PolarHBondContact O-N 2.8Å; L373-T376 PolarHBondContact O-N 2.99Å; L373-L377 HydrophobicContact CD1-CD1 4.07Å; L373-L377 HydrophobicContact CD1-CG 4.11Å; L373-L377 HydrophobicContact CG-CD1 3.98Å; L373-L377 HydrophobicContact CG-CG 4.46Å; L373-L377 WeakPolarHBondContact O-CB 3.29Å; L373-L377 VanDerWaalsContact O-CG 3.25Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 2.96Å; L373-V392 HydrophobicContact CD1-CG1 3.78Å; L373-W396 HydrophobicContact CD1-CG 4.24Å; L373-W396 HydrophobicContact CD2-CB 4.24Å; L373-W396 HydrophobicContact CD2-CD2 3.75Å; L373-W396 HydrophobicContact CD2-CE3 4.25Å; L373-W396 HydrophobicContact CD2-CG 3.72Å |
| 374 | A | 96.3 | Very high | 96.2 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 35% | 0.347 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I370 R371 T376 L377 E378 | I370-A374 PolarHBondContact O-N 2.81Å; R371-A374 WeakPolarHBondContact O-CB 3.48Å; R371-A374 PolarHBondContact O-N 3.29Å; R371-A374 VanDerWaalsContact O-N 3.11Å; A374-T376 VanDerWaalsContact C-N 3.31Å; A374-T376 PolarHBondContact O-N 3.04Å; A374-L377 PolarHBondContact O-N 3.5Å; A374-E378 WeakPolarHBondContact O-CG 3.44Å; A374-E378 PolarHBondContact O-N 3.24Å |
| 375 | D | 97.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 76.1 Ų | 76.1 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 177.6 | -62.1 | -25.7 | 0 | 0 | 0 | 111.5 | R371 E378 Y379 | R371-D375 VanDerWaalsContact O-CG 3.27Å; R371-D375 PolarHBondContact O-N 2.72Å; D375-E378 PolarHBondContact O-N 3.21Å; D375-Y379 VanDerWaalsContact O-CB 3.28Å; D375-Y379 WeakPolarHBondContact O-CB 3.19Å; D375-Y379 PolarHBondContact O-N 3.15Å |
| 376 | T | 97.7 | Very high | 96.4 | Very high | 59 Ų | 59 | 78.2 Ų | 78.2 | 36% | 0.362 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | T372 L373 A374 Y379 L380 | T372-T376 VanDerWaalsContact O-CB 3.3Å; T372-T376 WeakPolarHBondContact O-CB 3.16Å; T372-T376 PolarHBondContact O-N 3.13Å; T372-T376 PolarHBondContact O-OG1 3.42Å; L373-T376 PolarHBondContact O-N 2.99Å; A374-T376 VanDerWaalsContact C-N 3.31Å; A374-T376 PolarHBondContact O-N 3.04Å; T376-Y379 PolarHBondContact O-N 3.32Å; T376-L380 HydrophobicContact CG2-CD1 3.96Å; T376-L380 HydrophobicContact CG2-CG 4.38Å; T376-L380 WeakPolarHBondContact O-CB 3.35Å; T376-L380 VanDerWaalsContact O-CG 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.42Å; T376-L380 PolarHBondContact O-N 3.08Å |
| 377 | L | 97.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 79.3 Ų | 79.3 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 178.6 | -71.1 | 168.8 | 0 | 0 | 0 | 111.2 | L333 F336 L373 A374 L380 F381 V389 V392 | L333-L377 HydrophobicContact CD1-CD1 3.92Å; F336-L377 HydrophobicContact CD1-CD1 4.46Å; F336-L377 HydrophobicContact CE1-CD1 4.2Å; L373-L377 HydrophobicContact CD1-CD1 4.07Å; L373-L377 HydrophobicContact CD1-CG 4.11Å; L373-L377 HydrophobicContact CG-CD1 3.98Å; L373-L377 HydrophobicContact CG-CG 4.46Å; L373-L377 WeakPolarHBondContact O-CB 3.29Å; L373-L377 VanDerWaalsContact O-CG 3.25Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 2.96Å; A374-L377 PolarHBondContact O-N 3.5Å; L377-L380 PolarHBondContact O-N 2.96Å; L377-F381 VanDerWaalsContact O-CB 3.28Å; L377-F381 WeakPolarHBondContact O-CB 3.16Å; L377-F381 PolarHBondContact O-N 3.08Å; L377-V389 HydrophobicContact CD2-CG1 4.09Å; L377-V392 HydrophobicContact CD2-CB 4.18Å; L377-V392 HydrophobicContact CD2-CG1 3.85Å |
| 378 | E | 96.2 | Very high | 96.6 | Very high | 131 Ų | 131 | 80.8 Ų | 80.8 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63 | -45 | 175.2 | -72.8 | -176.8 | -175.3 | 0 | 0 | 111.7 | A374 D375 F381 S382 | A374-E378 WeakPolarHBondContact O-CG 3.44Å; A374-E378 PolarHBondContact O-N 3.24Å; D375-E378 PolarHBondContact O-N 3.21Å; E378-F381 PolarHBondContact O-N 2.86Å; E378-S382 WeakPolarHBondContact O-CB 3.26Å; E378-S382 PolarHBondContact O-N 2.85Å |
| 379 | Y | 97.7 | Very high | 96.7 | Very high | 136 Ų | 136 | 74.1 Ų | 74.1 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -50.9 | 175 | 174.1 | -105.1 | 0 | 0 | 0 | 111.9 | D375 T376 F381 S382 K383 | D375-Y379 VanDerWaalsContact O-CB 3.28Å; D375-Y379 WeakPolarHBondContact O-CB 3.19Å; D375-Y379 PolarHBondContact O-N 3.15Å; T376-Y379 PolarHBondContact O-N 3.32Å; Y379-F381 VanDerWaalsContact C-N 3.3Å; Y379-F381 PolarHBondContact O-N 2.85Å; Y379-S382 PolarHBondContact O-N 3.38Å; Y379-S382 PolarHBondContact O-OG 3.23Å; Y379-K383 HydrophobicContact CD2-CG 4.48Å; Y379-K383 HydrophobicContact CE1-CG 4.3Å; Y379-K383 HydrophobicContact CE2-CD 4.43Å; Y379-K383 VanDerWaalsContact CE2-CE 3.49Å; Y379-K383 HydrophobicContact CE2-CG 4.03Å; Y379-K383 WeakPolarHBondContact O-CG 3.36Å; Y379-K383 PolarHBondContact O-N 2.69Å |
| 380 | L | 97.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 179.1 | -72.4 | 172.7 | 0 | 0 | 0 | 112.2 | T376 L377 K383 K384 R385 T388 V389 V392 | T376-L380 HydrophobicContact CG2-CD1 3.96Å; T376-L380 HydrophobicContact CG2-CG 4.38Å; T376-L380 WeakPolarHBondContact O-CB 3.35Å; T376-L380 VanDerWaalsContact O-CG 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.42Å; T376-L380 PolarHBondContact O-N 3.08Å; L377-L380 PolarHBondContact O-N 2.96Å; L380-K383 PolarHBondContact O-N 3.07Å; L380-K384 PolarHBondContact O-N 3.05Å; L380-R385 HydrophobicContact CD2-CB 4.37Å; L380-R385 PolarHBondContact O-N 2.92Å; L380-T388 HydrophobicContact CD1-CG2 4.19Å; L380-T388 HydrophobicContact CD2-CG2 4.4Å; L380-V389 HydrophobicContact CB-CG2 3.59Å; L380-V392 HydrophobicContact CD1-CG2 4.22Å |
| 381 | F | 94.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 74.3 Ų | 74.3 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 176.5 | -161.2 | -86.1 | 0 | 0 | 0 | 111.6 | A329 L330 L377 E378 Y379 K383 K384 Y386 V389 | A329-F381 HydrophobicContact CB-CE2 4.44Å; L330-F381 HydrophobicContact CD1-CZ 4.44Å; L330-F381 HydrophobicContact CD2-CE2 3.7Å; L330-F381 HydrophobicContact CD2-CZ 3.49Å; L330-F381 VanDerWaalsContact CD2-CZ 3.49Å; L330-F381 HydrophobicContact CG-CE2 3.96Å; L330-F381 HydrophobicContact CG-CZ 3.87Å; L377-F381 VanDerWaalsContact O-CB 3.28Å; L377-F381 WeakPolarHBondContact O-CB 3.16Å; L377-F381 PolarHBondContact O-N 3.08Å; E378-F381 PolarHBondContact O-N 2.86Å; Y379-F381 VanDerWaalsContact C-N 3.3Å; Y379-F381 PolarHBondContact O-N 2.85Å; F381-K383 VanDerWaalsContact C-N 3.26Å; F381-K383 PolarHBondContact O-N 3.06Å; F381-K384 WeakPolarHBondContact O-CA 3.16Å; F381-K384 PolarHBondContact O-N 3.18Å; F381-Y386 HydrophobicContact CD1-CE1 4.4Å; F381-Y386 HydrophobicContact CD2-CD1 4.06Å; F381-Y386 HydrophobicContact CD2-CE1 4.09Å; F381-Y386 HydrophobicContact CE1-CE1 4.11Å; F381-Y386 AromaticContact CE2-CD1 3.85Å; F381-Y386 HydrophobicContact CE2-CD1 3.85Å; F381-Y386 AromaticContact CE2-CE1 3.78Å; F381-Y386 HydrophobicContact CE2-CE1 3.78Å; F381-Y386 HydrophobicContact CG-CE1 4.38Å; F381-Y386 HydrophobicContact CZ-CD1 4.32Å; F381-Y386 AromaticContact CZ-CE1 3.78Å; F381-Y386 HydrophobicContact CZ-CE1 3.78Å; F381-V389 HydrophobicContact CB-CG2 4.34Å; F381-V389 HydrophobicContact CD2-CG2 4.5Å |
| 382 | S | 96 | Very high | 96.9 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 57% | 0.573 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.6 | -34.4 | 175.3 | 80.8 | 0 | 0 | 0 | 0 | 112.5 | E378 Y379 K384 | E378-S382 WeakPolarHBondContact O-CB 3.26Å; E378-S382 PolarHBondContact O-N 2.85Å; Y379-S382 PolarHBondContact O-N 3.38Å; Y379-S382 PolarHBondContact O-OG 3.23Å; S382-K384 PolarHBondContact O-N 3.18Å |
| 383 | K | 97.4 | Very high | 96.9 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 7.2 | 174.2 | -64 | -61.5 | -176.8 | -175.8 | 0 | 113.6 | Y379 L380 F381 R385 | Y379-K383 HydrophobicContact CD2-CG 4.48Å; Y379-K383 HydrophobicContact CE1-CG 4.3Å; Y379-K383 HydrophobicContact CE2-CD 4.43Å; Y379-K383 VanDerWaalsContact CE2-CE 3.49Å; Y379-K383 HydrophobicContact CE2-CG 4.03Å; Y379-K383 WeakPolarHBondContact O-CG 3.36Å; Y379-K383 PolarHBondContact O-N 2.69Å; L380-K383 PolarHBondContact O-N 3.07Å; F381-K383 VanDerWaalsContact C-N 3.26Å; F381-K383 PolarHBondContact O-N 3.06Å; K383-R385 HydrophobicContact CB-CG 4.25Å; K383-R385 PolarHBondContact O-N 3.35Å |
| 384 | K | 96.4 | Very high | 96.8 | Very high | 151 Ų | 151 | 69.7 Ų | 69.7 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 25.5 | -178.9 | -53.9 | -177 | 179 | 179 | 0 | 113.8 | L380 F381 S382 Y386 | L380-K384 PolarHBondContact O-N 3.05Å; F381-K384 WeakPolarHBondContact O-CA 3.16Å; F381-K384 PolarHBondContact O-N 3.18Å; S382-K384 PolarHBondContact O-N 3.18Å; K384-Y386 HydrophobicContact CB-CE2 3.95Å; K384-Y386 WeakPolarHBondContact O-CD2 3.38Å; K384-Y386 PolarHBondContact O-N 2.89Å |
| 385 | R | 96.8 | Very high | 96.8 | Very high | 155 Ų | 155 | 74.4 Ų | 74.4 | 59% | 0.585 | 37% | 0.365 | S | S | * | . | trans | -84.8 | 60.3 | 177.9 | -67.2 | -170.7 | 175.6 | -170.9 | -1.1 | 111.3 | L380 K383 A387 T388 V389 | L380-R385 HydrophobicContact CD2-CB 4.37Å; L380-R385 PolarHBondContact O-N 2.92Å; K383-R385 HydrophobicContact CB-CG 4.25Å; K383-R385 PolarHBondContact O-N 3.35Å; R385-A387 PolarHBondContact O-N 2.83Å; R385-T388 PolarHBondContact O-N 3.48Å; R385-V389 WeakPolarHBondContact O-CG2 3.42Å; R385-V389 PolarHBondContact O-N 3.39Å | ||
| 386 | Y | 96.9 | Very high | 96.8 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | -168.9 | -57.9 | -56 | 0 | 0 | 0 | 114.4 | S325 R326 A329 F381 K384 T388 V389 A390 | S325-Y386 WeakPolarHBondContact O-CB 3.14Å; R326-Y386 HydrophobicContact CB-CD1 4.29Å; R326-Y386 HydrophobicContact CB-CD2 3.87Å; R326-Y386 HydrophobicContact CB-CE1 4.25Å; R326-Y386 HydrophobicContact CB-CE2 3.8Å; R326-Y386 HydrophobicContact CB-CG 4.12Å; R326-Y386 HydrophobicContact CG-CD1 4.26Å; R326-Y386 HydrophobicContact CG-CE1 3.87Å; R326-Y386 HydrophobicContact CG-CE2 4.12Å; A329-Y386 HydrophobicContact CB-CD1 4.2Å; A329-Y386 HydrophobicContact CB-CG 4.46Å; A329-Y386 WeakPolarHBondContact CB-O 3.2Å; F381-Y386 HydrophobicContact CD1-CE1 4.4Å; F381-Y386 HydrophobicContact CD2-CD1 4.06Å; F381-Y386 HydrophobicContact CD2-CE1 4.09Å; F381-Y386 HydrophobicContact CE1-CE1 4.11Å; F381-Y386 AromaticContact CE2-CD1 3.85Å; F381-Y386 HydrophobicContact CE2-CD1 3.85Å; F381-Y386 AromaticContact CE2-CE1 3.78Å; F381-Y386 HydrophobicContact CE2-CE1 3.78Å; F381-Y386 HydrophobicContact CG-CE1 4.38Å; F381-Y386 HydrophobicContact CZ-CD1 4.32Å; F381-Y386 AromaticContact CZ-CE1 3.78Å; F381-Y386 HydrophobicContact CZ-CE1 3.78Å; K384-Y386 HydrophobicContact CB-CE2 3.95Å; K384-Y386 WeakPolarHBondContact O-CD2 3.38Å; K384-Y386 PolarHBondContact O-N 2.89Å; Y386-T388 VanDerWaalsContact C-N 3.34Å; Y386-T388 PolarHBondContact O-N 3.18Å; Y386-V389 PolarHBondContact O-N 2.87Å; Y386-A390 PolarHBondContact O-N 2.99Å; Y386-A390 VanDerWaalsContact O-N 3.12Å |
| 387 | A | 95.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R385 V389 A390 D391 | R385-A387 PolarHBondContact O-N 2.83Å; A387-V389 VanDerWaalsContact C-N 3.33Å; A387-V389 PolarHBondContact O-N 3.43Å; A387-A390 WeakPolarHBondContact O-CB 3.34Å; A387-A390 PolarHBondContact O-N 3.27Å; A387-A390 VanDerWaalsContact O-N 3.16Å; A387-D391 PolarHBondContact O-N 2.9Å |
| 388 | T | 97.3 | Very high | 96.8 | Very high | 59 Ų | 59 | 73.5 Ų | 73.5 | 36% | 0.362 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 177.3 | -44.9 | 0 | 0 | 0 | 0 | 112.5 | L380 R385 Y386 D391 V392 | L380-T388 HydrophobicContact CD1-CG2 4.19Å; L380-T388 HydrophobicContact CD2-CG2 4.4Å; R385-T388 PolarHBondContact O-N 3.48Å; Y386-T388 VanDerWaalsContact C-N 3.34Å; Y386-T388 PolarHBondContact O-N 3.18Å; T388-D391 PolarHBondContact O-N 2.98Å; T388-V392 HydrophobicContact CG2-CG2 4.3Å; T388-V392 WeakPolarHBondContact O-CB 3.45Å; T388-V392 VanDerWaalsContact O-CG2 3.23Å; T388-V392 WeakPolarHBondContact O-CG2 3.29Å; T388-V392 PolarHBondContact O-N 3.32Å |
| 389 | V | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | A329 L377 L380 F381 R385 Y386 A387 D391 V392 C393 | A329-V389 HydrophobicContact CB-CB 4.29Å; A329-V389 HydrophobicContact CB-CG1 4.25Å; L377-V389 HydrophobicContact CD2-CG1 4.09Å; L380-V389 HydrophobicContact CB-CG2 3.59Å; F381-V389 HydrophobicContact CB-CG2 4.34Å; F381-V389 HydrophobicContact CD2-CG2 4.5Å; R385-V389 WeakPolarHBondContact O-CG2 3.42Å; R385-V389 PolarHBondContact O-N 3.39Å; Y386-V389 PolarHBondContact O-N 2.87Å; A387-V389 VanDerWaalsContact C-N 3.33Å; A387-V389 PolarHBondContact O-N 3.43Å; V389-D391 VanDerWaalsContact C-N 3.35Å; V389-D391 PolarHBondContact O-N 3.43Å; V389-V392 PolarHBondContact O-N 3.1Å; V389-C393 PolarHBondContact O-N 3.22Å; V389-C393 PolarHBondContact O-SG 3.49Å |
| 390 | A | 96.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L318 M332 Y386 A387 C393 K394 | L318-A390 HydrophobicContact CD1-CB 3.79Å; M332-A390 HydrophobicContact CB-CB 4.29Å; M332-A390 HydrophobicContact CG-CB 4.37Å; Y386-A390 PolarHBondContact O-N 2.99Å; Y386-A390 VanDerWaalsContact O-N 3.12Å; A387-A390 WeakPolarHBondContact O-CB 3.34Å; A387-A390 PolarHBondContact O-N 3.27Å; A387-A390 VanDerWaalsContact O-N 3.16Å; A390-C393 PolarHBondContact O-N 3.23Å; A390-K394 WeakPolarHBondContact O-CB 3.5Å; A390-K394 PolarHBondContact O-N 2.96Å |
| 391 | D | 96.6 | Very high | 96.8 | Very high | 89 Ų | 89 | 64.3 Ų | 64.3 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.9 | -67.9 | -30.2 | 0 | 0 | 0 | 112 | A387 T388 V389 K394 Q395 | A387-D391 PolarHBondContact O-N 2.9Å; T388-D391 PolarHBondContact O-N 2.98Å; V389-D391 VanDerWaalsContact C-N 3.35Å; V389-D391 PolarHBondContact O-N 3.43Å; D391-K394 PolarHBondContact O-N 3.44Å; D391-Q395 WeakPolarHBondContact O-CB 3.25Å; D391-Q395 VanDerWaalsContact O-CG 3.27Å; D391-Q395 WeakPolarHBondContact O-CG 3.45Å; D391-Q395 PolarHBondContact O-N 2.99Å |
| 392 | V | 97.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | L373 L377 L380 T388 V389 K394 Q395 W396 | L373-V392 HydrophobicContact CD1-CG1 3.78Å; L377-V392 HydrophobicContact CD2-CB 4.18Å; L377-V392 HydrophobicContact CD2-CG1 3.85Å; L380-V392 HydrophobicContact CD1-CG2 4.22Å; T388-V392 HydrophobicContact CG2-CG2 4.3Å; T388-V392 WeakPolarHBondContact O-CB 3.45Å; T388-V392 VanDerWaalsContact O-CG2 3.23Å; T388-V392 WeakPolarHBondContact O-CG2 3.29Å; T388-V392 PolarHBondContact O-N 3.32Å; V389-V392 PolarHBondContact O-N 3.1Å; V392-K394 VanDerWaalsContact C-N 3.33Å; V392-K394 PolarHBondContact O-N 3.21Å; V392-Q395 PolarHBondContact O-N 3.49Å; V392-W396 VanDerWaalsContact O-CD1 3.28Å; V392-W396 PolarHBondContact O-N 3.05Å; V392-W396 VanDerWaalsContact O-N 3.09Å |
| 393 | C | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.7 | -48.9 | 174.8 | -74 | 0 | 0 | 0 | 0 | 111.2 | M332 F336 V389 A390 Q395 W396 V397 | M332-C393 HydrophobicContact CE-CB 4.19Å; M332-C393 HydrophobicContact CG-CB 3.75Å; F336-C393 HydrophobicContact CB-CB 4Å; F336-C393 HydrophobicContact CD2-CB 4.3Å; F336-C393 HydrophobicContact CG-CB 4.1Å; V389-C393 PolarHBondContact O-N 3.22Å; V389-C393 PolarHBondContact O-SG 3.49Å; A390-C393 PolarHBondContact O-N 3.23Å; C393-Q395 VanDerWaalsContact C-N 3.32Å; C393-Q395 PolarHBondContact O-N 3.04Å; C393-W396 PolarHBondContact O-N 3.46Å; C393-W396 VanDerWaalsContact O-N 3.16Å; C393-V397 WeakPolarHBondContact O-CG2 3.44Å; C393-V397 PolarHBondContact O-N 2.86Å; C393-V397 VanDerWaalsContact O-N 3.09Å |
| 394 | K | 95.6 | Very high | 96.8 | Very high | 126 Ų | 126 | 58.1 Ų | 58.1 | 55% | 0.548 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | -179.8 | -169.9 | 178.3 | 179.2 | -178.6 | 0 | 112.6 | M332 A390 D391 V392 W396 P398 | M332-K394 HydrophobicContact CE-CB 3.84Å; M332-K394 HydrophobicContact CE-CG 4.36Å; A390-K394 WeakPolarHBondContact O-CB 3.5Å; A390-K394 PolarHBondContact O-N 2.96Å; D391-K394 PolarHBondContact O-N 3.44Å; V392-K394 VanDerWaalsContact C-N 3.33Å; V392-K394 PolarHBondContact O-N 3.21Å; K394-W396 VanDerWaalsContact C-N 3.34Å; K394-P398 WeakPolarHBondContact O-CD 3.4Å |
| 395 | Q | 96.8 | Very high | 96.7 | Very high | 142 Ų | 142 | 56.5 Ų | 56.5 | 66% | 0.664 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.4 | -34.4 | 176.8 | -74.9 | 174.5 | 5.2 | 0 | 0 | 112.7 | D391 V392 C393 P398 | D391-Q395 WeakPolarHBondContact O-CB 3.25Å; D391-Q395 VanDerWaalsContact O-CG 3.27Å; D391-Q395 WeakPolarHBondContact O-CG 3.45Å; D391-Q395 PolarHBondContact O-N 2.99Å; V392-Q395 PolarHBondContact O-N 3.49Å; C393-Q395 VanDerWaalsContact C-N 3.32Å; C393-Q395 PolarHBondContact O-N 3.04Å; Q395-P398 WeakPolarHBondContact O-CD 3.44Å |
| 396 | W | 97.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -83.1 | -19.1 | 179.4 | -83.3 | 96.4 | 0 | 0 | 0 | 114.3 | F336 M365 L373 V392 C393 K394 T399 V400 | F336-W396 HydrophobicContact CE2-CB 3.61Å; F336-W396 HydrophobicContact CZ-CB 4.08Å; M365-W396 HydrophobicContact CE-CE3 4.4Å; M365-W396 HydrophobicContact CG-CZ3 4.39Å; L373-W396 HydrophobicContact CD1-CG 4.24Å; L373-W396 HydrophobicContact CD2-CB 4.24Å; L373-W396 HydrophobicContact CD2-CD2 3.75Å; L373-W396 HydrophobicContact CD2-CE3 4.25Å; L373-W396 HydrophobicContact CD2-CG 3.72Å; V392-W396 VanDerWaalsContact O-CD1 3.28Å; V392-W396 PolarHBondContact O-N 3.05Å; V392-W396 VanDerWaalsContact O-N 3.09Å; C393-W396 PolarHBondContact O-N 3.46Å; C393-W396 VanDerWaalsContact O-N 3.16Å; K394-W396 VanDerWaalsContact C-N 3.34Å; W396-T399 HydrophobicContact CE3-CG2 4.11Å; W396-T399 HydrophobicContact CZ3-CG2 4.01Å; W396-T399 WeakPolarHBondContact O-CB 3.48Å; W396-T399 PolarHBondContact O-N 3.02Å; W396-T399 VanDerWaalsContact O-N 3.11Å; W396-V400 PolarHBondContact O-N 3.03Å |
| 397 | V | 96.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -52.5 | -49.3 | -179.2 | 162.3 | 0 | 0 | 0 | 0 | 113 | V315 M332 F336 L339 C393 T399 V400 L401 | V315-V397 HydrophobicContact CB-CG1 4.47Å; V315-V397 HydrophobicContact CG1-CG1 4.15Å; V315-V397 HydrophobicContact CG1-CG2 4.43Å; V315-V397 HydrophobicContact CG2-CG1 3.51Å; M332-V397 HydrophobicContact CE-CG2 3.94Å; F336-V397 HydrophobicContact CD2-CG2 4.03Å; L339-V397 HydrophobicContact CD1-CG1 4.12Å; L339-V397 HydrophobicContact CD1-CG2 4.01Å; C393-V397 WeakPolarHBondContact O-CG2 3.44Å; C393-V397 PolarHBondContact O-N 2.86Å; C393-V397 VanDerWaalsContact O-N 3.09Å; V397-T399 VanDerWaalsContact C-N 3.28Å; V397-T399 PolarHBondContact O-N 3.18Å; V397-V400 WeakPolarHBondContact O-CB 3.39Å; V397-V400 PolarHBondContact O-N 3.45Å; V397-V400 VanDerWaalsContact O-N 3.09Å; V397-L401 HydrophobicContact CG1-CD1 4.05Å; V397-L401 HydrophobicContact CG1-CG 4.2Å; V397-L401 WeakPolarHBondContact O-CG 3.36Å; V397-L401 PolarHBondContact O-N 2.88Å |
| 398 | P | 97.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.6 | -41.1 | 177.4 | -26.9 | 35.7 | 0 | 0 | 0 | 113.4 | K394 Q395 L401 Q402 | K394-P398 WeakPolarHBondContact O-CD 3.4Å; Q395-P398 WeakPolarHBondContact O-CD 3.44Å; P398-L401 PolarHBondContact O-N 3.14Å; P398-Q402 PolarHBondContact O-N 3.4Å |
| 399 | T | 98 | Very high | 96.4 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 176.7 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | F362 D364 M365 W396 V397 Q402 G403 | F362-T399 HydrophobicContact CE1-CG2 3.99Å; D364-T399 HydrophobicContact CB-CG2 3.93Å; M365-T399 HydrophobicContact CB-CG2 4.23Å; W396-T399 HydrophobicContact CE3-CG2 4.11Å; W396-T399 HydrophobicContact CZ3-CG2 4.01Å; W396-T399 WeakPolarHBondContact O-CB 3.48Å; W396-T399 PolarHBondContact O-N 3.02Å; W396-T399 VanDerWaalsContact O-N 3.11Å; V397-T399 VanDerWaalsContact C-N 3.28Å; V397-T399 PolarHBondContact O-N 3.18Å; T399-Q402 PolarHBondContact O-N 3.4Å; T399-G403 PolarHBondContact O-N 2.94Å |
| 400 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 174 | 174.1 | 0 | 0 | 0 | 0 | 111 | F336 L339 L340 V343 M365 W396 V397 Q402 G403 M404 | F336-V400 HydrophobicContact CD2-CG2 4.44Å; F336-V400 HydrophobicContact CE2-CG2 3.57Å; F336-V400 HydrophobicContact CZ-CG2 4Å; L339-V400 HydrophobicContact CB-CG1 3.75Å; L340-V400 HydrophobicContact CD1-CG2 4.5Å; V343-V400 HydrophobicContact CG2-CG1 3.78Å; V343-V400 WeakPolarHBondContact CG2-O 3.45Å; M365-V400 HydrophobicContact CE-CG2 3.67Å; M365-V400 HydrophobicContact SD-CG2 3.73Å; W396-V400 PolarHBondContact O-N 3.03Å; V397-V400 WeakPolarHBondContact O-CB 3.39Å; V397-V400 PolarHBondContact O-N 3.45Å; V397-V400 VanDerWaalsContact O-N 3.09Å; V400-Q402 VanDerWaalsContact C-N 3.31Å; V400-Q402 PolarHBondContact O-N 2.91Å; V400-G403 PolarHBondContact O-N 3.23Å; V400-M404 PolarHBondContact O-N 3.38Å |
| 401 | L | 96 | Very high | 96 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.7 | -64.4 | 178.1 | 0 | 0 | 0 | 111.6 | V313 L339 V397 P398 M404 K405 | V313-L401 HydrophobicContact CB-CD2 4.22Å; L339-L401 HydrophobicContact CD2-CD2 4.13Å; V397-L401 HydrophobicContact CG1-CD1 4.05Å; V397-L401 HydrophobicContact CG1-CG 4.2Å; V397-L401 WeakPolarHBondContact O-CG 3.36Å; V397-L401 PolarHBondContact O-N 2.88Å; P398-L401 PolarHBondContact O-N 3.14Å; L401-M404 HydrophobicContact CB-CE 4.37Å; L401-M404 HydrophobicContact CD2-CE 3.18Å; L401-M404 HydrophobicContact CG-CE 4.24Å; L401-M404 PolarHBondContact O-N 3.2Å; L401-K405 PolarHBondContact O-N 3.17Å; L401-K405 VanDerWaalsContact O-N 3.16Å |
| 402 | Q | 97.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 47.9 Ų | 47.9 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.9 | -172.1 | 176.9 | -15.2 | 0 | 0 | 112 | F362 P398 T399 V400 M404 K405 Y406 | F362-Q402 HydrophobicContact CE2-CG 4.14Å; F362-Q402 HydrophobicContact CZ-CB 4.08Å; F362-Q402 HydrophobicContact CZ-CG 3.69Å; P398-Q402 PolarHBondContact O-N 3.4Å; T399-Q402 PolarHBondContact O-N 3.4Å; V400-Q402 VanDerWaalsContact C-N 3.31Å; V400-Q402 PolarHBondContact O-N 2.91Å; Q402-M404 VanDerWaalsContact C-N 3.34Å; Q402-M404 PolarHBondContact O-N 3.48Å; Q402-K405 PolarHBondContact O-N 3.45Å; Q402-Y406 PolarHBondContact O-N 3.01Å |
| 403 | G | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T399 V400 K405 Y406 Y407 | T399-G403 PolarHBondContact O-N 2.94Å; V400-G403 PolarHBondContact O-N 3.23Å; G403-K405 VanDerWaalsContact C-N 3.35Å; G403-K405 PolarHBondContact O-N 3.45Å; G403-Y406 PolarHBondContact O-N 3.48Å; G403-Y407 WeakPolarHBondContact O-CD2 3.43Å; G403-Y407 PolarHBondContact O-N 2.95Å; G403-Y407 VanDerWaalsContact O-N 3.1Å |
| 404 | M | 94.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 61 Ų | 61 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 173.8 | -74.3 | -165.7 | -76.2 | 0 | 0 | 111.5 | V313 L339 Q342 V343 V400 L401 Q402 H408 | V313-M404 HydrophobicContact CB-CE 4.45Å; V313-M404 HydrophobicContact CG1-CE 3.93Å; V313-M404 HydrophobicContact CG1-SD 4.34Å; L339-M404 HydrophobicContact CD2-CE 4.15Å; Q342-M404 HydrophobicContact CB-CG 4.09Å; Q342-M404 HydrophobicContact CB-SD 3.47Å; Q342-M404 WeakPolarHBondContact CB-SD 3.45Å; Q342-M404 HydrophobicContact CG-SD 3.97Å; V343-M404 HydrophobicContact CG2-CB 4.26Å; V343-M404 HydrophobicContact CG2-CG 3.32Å; V400-M404 PolarHBondContact O-N 3.38Å; L401-M404 HydrophobicContact CB-CE 4.37Å; L401-M404 HydrophobicContact CD2-CE 3.18Å; L401-M404 HydrophobicContact CG-CE 4.24Å; L401-M404 PolarHBondContact O-N 3.2Å; Q402-M404 VanDerWaalsContact C-N 3.34Å; Q402-M404 PolarHBondContact O-N 3.48Å; M404-H408 VanDerWaalsContact O-CB 3.26Å; M404-H408 WeakPolarHBondContact O-CB 3.18Å; M404-H408 PolarHBondContact O-N 2.79Å |
| 405 | K | 94 | Very high | 95.4 | Very high | 118 Ų | 118 | 55.2 Ų | 55.2 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.3 | -173.8 | 174.6 | -179.9 | 175.6 | 0 | 111.7 | L401 Q402 G403 H408 Q409 | L401-K405 PolarHBondContact O-N 3.17Å; L401-K405 VanDerWaalsContact O-N 3.16Å; Q402-K405 PolarHBondContact O-N 3.45Å; G403-K405 VanDerWaalsContact C-N 3.35Å; G403-K405 PolarHBondContact O-N 3.45Å; K405-H408 PolarHBondContact O-N 3.16Å; K405-Q409 HydrophobicContact CG-CG 4.43Å; K405-Q409 WeakPolarHBondContact O-CB 3.39Å; K405-Q409 PolarHBondContact O-N 3.01Å |
| 406 | Y | 96.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 49 Ų | 49 | 28% | 0.275 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.9 | -52.5 | 178.2 | 174.7 | -95.9 | 0 | 0 | 0 | 111.9 | R360 F362 Q402 G403 Q409 Y410 | R360-Y406 PolarHBondContact O-OH 2.86Å; F362-Y406 HydrophobicContact CB-CD1 3.69Å; F362-Y406 HydrophobicContact CB-CE1 3.97Å; F362-Y406 HydrophobicContact CB-CG 4.2Å; F362-Y406 HydrophobicContact CD2-CD1 4.05Å; F362-Y406 AromaticContact CD2-CD2 3.92Å; F362-Y406 HydrophobicContact CD2-CD2 3.92Å; F362-Y406 AromaticContact CD2-CG 3.66Å; F362-Y406 HydrophobicContact CD2-CG 3.66Å; F362-Y406 HydrophobicContact CG-CD1 4.19Å; F362-Y406 HydrophobicContact CG-CG 4.21Å; Q402-Y406 PolarHBondContact O-N 3.01Å; G403-Y406 PolarHBondContact O-N 3.48Å; Y406-Q409 CarbonylContact O-C 3.58Å; Y406-Q409 PolarHBondContact O-N 3.07Å; Y406-Y410 HydrophobicContact CD1-CD2 4.25Å; Y406-Y410 AromaticContact CE1-CD2 3.68Å; Y406-Y410 HydrophobicContact CE1-CD2 3.68Å; Y406-Y410 AromaticContact CE1-CE2 3.68Å; Y406-Y410 HydrophobicContact CE1-CE2 3.68Å; Y406-Y410 AromaticContact CZ-CD2 3.96Å; Y406-Y410 AromaticContact CZ-CE2 3.79Å; Y406-Y410 WeakPolarHBondContact O-CA 3.45Å; Y406-Y410 PolarHBondContact O-N 2.92Å |
| 407 | Y | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.5 | -25.3 | -179.3 | -67.7 | -68.1 | 0 | 0 | 0 | 113.6 | V343 R346 M347 K350 F359 F362 G403 Y410 | V343-Y407 HydrophobicContact CG1-CD2 3.97Å; V343-Y407 HydrophobicContact CG1-CE2 3.87Å; R346-Y407 HydrophobicContact CB-CG 4.42Å; M347-Y407 HydrophobicContact CB-CD1 4.47Å; M347-Y407 HydrophobicContact CB-CD2 4.26Å; M347-Y407 HydrophobicContact CB-CE1 4.07Å; M347-Y407 HydrophobicContact CB-CE2 3.85Å; M347-Y407 HydrophobicContact CG-CE1 4.06Å; M347-Y407 HydrophobicContact CG-CE2 4.22Å; M347-Y407 WeakPolarHBondContact CG-OH 3.38Å; K350-Y407 HydrophobicContact CB-CD1 4.39Å; K350-Y407 VanDerWaalsContact CE-O 3.22Å; K350-Y407 WeakPolarHBondContact CE-O 3.3Å; K350-Y407 HydrophobicContact CG-CD1 4.23Å; F359-Y407 HydrophobicContact CE2-CE1 4.11Å; F359-Y407 HydrophobicContact CZ-CE1 4.12Å; F362-Y407 HydrophobicContact CB-CE2 3.92Å; F362-Y407 PolarHBondContact N-OH 3.48Å; G403-Y407 WeakPolarHBondContact O-CD2 3.43Å; G403-Y407 PolarHBondContact O-N 2.95Å; G403-Y407 VanDerWaalsContact O-N 3.1Å; Y407-Y410 HydrophobicContact CD1-CD2 4.15Å |
| 408 | H | 93.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -41.2 | 172.3 | 175.9 | 49.8 | 0 | 0 | 0 | 111.8 | S27 S28 M404 K405 | S27-H408 PolarHBondContact O-CE1 3.08Å; S27-H408 PolarHBondContact OG-CE1 2.78Å; S28-H408 PolarHBondContact O-CE1 3.17Å; S28-H408 VanDerWaalsContact O-CE1 3.31Å; M404-H408 VanDerWaalsContact O-CB 3.26Å; M404-H408 WeakPolarHBondContact O-CB 3.18Å; M404-H408 PolarHBondContact O-N 2.79Å; K405-H408 PolarHBondContact O-N 3.16Å |
| 409 | Q | 93.4 | Very high | 95.1 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 23% | 0.229 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -99 | 20.4 | -177.9 | -59.5 | -176.8 | -26.6 | 0 | 0 | 113 | K405 Y406 E411 R412 D825 | K405-Q409 HydrophobicContact CG-CG 4.43Å; K405-Q409 WeakPolarHBondContact O-CB 3.39Å; K405-Q409 PolarHBondContact O-N 3.01Å; Y406-Q409 CarbonylContact O-C 3.58Å; Y406-Q409 PolarHBondContact O-N 3.07Å; Q409-E411 VanDerWaalsContact C-N 3.32Å; Q409-E411 PolarHBondContact O-N 2.91Å; Q409-R412 HydrophobicContact CB-CB 4.18Å; Q409-R412 VanDerWaalsContact O-CB 3.27Å; Q409-R412 WeakPolarHBondContact O-CB 3.45Å; Q409-R412 PolarHBondContact O-N 3.12Å; Q409-D825 PolarHBondContact NE2-OD2 3.44Å |
| 410 | Y | 94.5 | Very high | 95 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -43.5 | -168.1 | -169 | -94.6 | 0 | 0 | 0 | 112.9 | Y354 R360 Y406 Y407 | Y354-Y410 HydrophobicContact CD2-CD1 4.44Å; Y354-Y410 AromaticContact CD2-CE1 3.91Å; Y354-Y410 HydrophobicContact CD2-CE1 3.91Å; Y354-Y410 HydrophobicContact CE1-CE1 4.26Å; Y354-Y410 AromaticContact CE2-CD1 3.62Å; Y354-Y410 HydrophobicContact CE2-CD1 3.62Å; Y354-Y410 AromaticContact CE2-CE1 3.4Å; Y354-Y410 HydrophobicContact CE2-CE1 3.4Å; Y354-Y410 VanDerWaalsContact CE2-CE1 3.4Å; Y354-Y410 AromaticContact CZ-CD1 3.94Å; Y354-Y410 AromaticContact CZ-CE1 3.62Å; R360-Y410 PolarHBondContact N-OH 3.35Å; R360-Y410 WeakPolarHBondContact O-CE2 2.98Å; Y406-Y410 HydrophobicContact CD1-CD2 4.25Å; Y406-Y410 AromaticContact CE1-CD2 3.68Å; Y406-Y410 HydrophobicContact CE1-CD2 3.68Å; Y406-Y410 AromaticContact CE1-CE2 3.68Å; Y406-Y410 HydrophobicContact CE1-CE2 3.68Å; Y406-Y410 AromaticContact CZ-CD2 3.96Å; Y406-Y410 AromaticContact CZ-CE2 3.79Å; Y406-Y410 WeakPolarHBondContact O-CA 3.45Å; Y406-Y410 PolarHBondContact O-N 2.92Å; Y407-Y410 HydrophobicContact CD1-CD2 4.15Å |
| 411 | E | 92.1 | Very high | 94.9 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -12.2 | -179.4 | -62.4 | 77.2 | -162.5 | 0 | 0 | 113.8 | K350 M353 Y354 Q409 R413 L414 L415 F471 | K350-E411 WeakPolarHBondContact CD-OE1 3.3Å; K350-E411 WeakPolarHBondContact CE-OE1 3.29Å; K350-E411 IonicContact NZ-OE1 2.69Å; K350-E411 PolarHBondContact NZ-OE1 3.46Å; K350-E411 IonicContact NZ-OE2 3.63Å; K350-E411 PolarHBondContact NZ-OE2 2.99Å; M353-E411 WeakPolarHBondContact CE-OE1 3.36Å; Y354-E411 WeakPolarHBondContact CE2-OE1 3.15Å; Y354-E411 VanDerWaalsContact OH-CG 3.25Å; Y354-E411 WeakPolarHBondContact OH-CG 3.28Å; Y354-E411 PolarHBondContact OH-OE1 3.23Å; Q409-E411 VanDerWaalsContact C-N 3.32Å; Q409-E411 PolarHBondContact O-N 2.91Å; E411-R413 VanDerWaalsContact C-N 3.31Å; E411-R413 PolarHBondContact O-N 2.87Å; E411-L414 PolarHBondContact O-N 3.41Å; E411-L414 VanDerWaalsContact O-N 3.1Å; E411-L415 HydrophobicContact CB-CD1 3.78Å; E411-L415 HydrophobicContact CB-CG 4.06Å; E411-L415 WeakPolarHBondContact O-CG 3.44Å; E411-L415 PolarHBondContact O-N 3.16Å; E411-F471 HydrophobicContact CB-CE2 4.28Å; E411-F471 HydrophobicContact CG-CD2 4.33Å; E411-F471 HydrophobicContact CG-CE2 3.95Å |
| 412 | R | 93.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 11% | 0.106 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.8 | -44.7 | -164.6 | 178.4 | 174.8 | -70.4 | -155.8 | 10.3 | 112.6 | V24 Y25 Q409 T416 D825 | V24-R412 HydrophobicContact CG1-CB 4.34Å; V24-R412 HydrophobicContact CG1-CG 3.79Å; V24-R412 PolarHBondContact O-NE 2.99Å; Y25-R412 PolarHBondContact O-NH2 2.97Å; Q409-R412 HydrophobicContact CB-CB 4.18Å; Q409-R412 VanDerWaalsContact O-CB 3.27Å; Q409-R412 WeakPolarHBondContact O-CB 3.45Å; Q409-R412 PolarHBondContact O-N 3.12Å; R412-T416 VanDerWaalsContact O-CB 3.25Å; R412-T416 WeakPolarHBondContact O-CB 3.22Å; R412-T416 PolarHBondContact O-N 3.13Å; R412-T416 PolarHBondContact O-OG1 3.24Å; R412-D825 IonicContact CZ-OD2 3.98Å; R412-D825 IonicContact NH1-OD1 3.52Å; R412-D825 IonicContact NH1-OD2 2.9Å; R412-D825 PolarHBondContact NH1-OD2 3.16Å; R412-D825 IonicContact NH2-OD2 3.6Å; R412-D825 PolarHBondContact NH2-OD2 3.02Å |
| 413 | R | 92.8 | Very high | 94.6 | Very high | 217 Ų | 217 | 41.5 Ų | 41.5 | 82% | 0.819 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.9 | -48.3 | 179.3 | -69.9 | -175.4 | 177.7 | 178.8 | -0.2 | 111.5 | E411 L415 T416 C417 | E411-R413 VanDerWaalsContact C-N 3.31Å; E411-R413 PolarHBondContact O-N 2.87Å; R413-L415 PolarHBondContact O-N 3.41Å; R413-T416 PolarHBondContact O-N 3.33Å; R413-C417 WeakPolarHBondContact O-CB 3.27Å; R413-C417 PolarHBondContact O-N 3.11Å; R413-C417 PolarHBondContact O-SG 3.45Å |
| 414 | L | 93.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.2 | -50.9 | 178.7 | 175 | 63.3 | 0 | 0 | 0 | 110.7 | E411 T416 C417 C418 | E411-L414 PolarHBondContact O-N 3.41Å; E411-L414 VanDerWaalsContact O-N 3.1Å; L414-T416 PolarHBondContact O-N 3.44Å; L414-C417 WeakPolarHBondContact O-CB 3.49Å; L414-C417 PolarHBondContact O-N 3.46Å; L414-C418 PolarHBondContact O-N 3.49Å; L414-C418 PolarHBondContact O-SG 3.18Å |
| 415 | L | 94.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | -177.8 | -62.6 | 177.7 | 0 | 0 | 0 | 111.9 | V24 E411 R413 C417 C418 I419 F471 Y474 T475 | V24-L415 HydrophobicContact CG1-CB 4.34Å; V24-L415 HydrophobicContact CG2-CB 3.61Å; V24-L415 HydrophobicContact CG2-CD1 3.81Å; V24-L415 HydrophobicContact CG2-CG 4.36Å; E411-L415 HydrophobicContact CB-CD1 3.78Å; E411-L415 HydrophobicContact CB-CG 4.06Å; E411-L415 WeakPolarHBondContact O-CG 3.44Å; E411-L415 PolarHBondContact O-N 3.16Å; R413-L415 PolarHBondContact O-N 3.41Å; L415-C417 PolarHBondContact O-N 3.16Å; L415-C418 WeakPolarHBondContact O-CB 3.45Å; L415-C418 PolarHBondContact O-N 3.21Å; L415-I419 VanDerWaalsContact O-CG1 3.26Å; L415-I419 WeakPolarHBondContact O-CG1 3.25Å; L415-I419 PolarHBondContact O-N 3.5Å; L415-F471 HydrophobicContact CD1-CD1 3.75Å; L415-F471 HydrophobicContact CD1-CD2 4.09Å; L415-F471 HydrophobicContact CD1-CE1 3.76Å; L415-F471 HydrophobicContact CD1-CE2 4.09Å; L415-F471 HydrophobicContact CD1-CG 3.93Å; L415-F471 HydrophobicContact CD1-CZ 3.93Å; L415-F471 HydrophobicContact CD2-CB 4.33Å; L415-F471 HydrophobicContact CD2-CG 4.38Å; L415-Y474 HydrophobicContact CD2-CD2 4.33Å; L415-T475 HydrophobicContact CD2-CG2 4.08Å |
| 416 | T | 95.1 | Very high | 94 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 174.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | R412 R413 L414 C418 I419 I420 L820 | R412-T416 VanDerWaalsContact O-CB 3.25Å; R412-T416 WeakPolarHBondContact O-CB 3.22Å; R412-T416 PolarHBondContact O-N 3.13Å; R412-T416 PolarHBondContact O-OG1 3.24Å; R413-T416 PolarHBondContact O-N 3.33Å; L414-T416 PolarHBondContact O-N 3.44Å; T416-C418 VanDerWaalsContact C-N 3.35Å; T416-C418 PolarHBondContact O-N 3.38Å; T416-I419 PolarHBondContact O-N 3.19Å; T416-I420 HydrophobicContact CG2-CD1 4.03Å; T416-I420 WeakPolarHBondContact O-CG1 3.23Å; T416-I420 PolarHBondContact O-N 3.16Å; T416-L820 HydrophobicContact CG2-CD2 4.48Å |
| 417 | C | 95.6 | Very high | 93.6 | Very high | 74 Ų | 74 | 35.8 Ų | 35.8 | 50% | 0.5 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60 | -44.3 | 172.8 | -70.6 | 0 | 0 | 0 | 0 | 111.3 | R413 L414 L415 I419 I420 V421 | R413-C417 WeakPolarHBondContact O-CB 3.27Å; R413-C417 PolarHBondContact O-N 3.11Å; R413-C417 PolarHBondContact O-SG 3.45Å; L414-C417 WeakPolarHBondContact O-CB 3.49Å; L414-C417 PolarHBondContact O-N 3.46Å; L415-C417 PolarHBondContact O-N 3.16Å; C417-I419 VanDerWaalsContact C-N 3.34Å; C417-I419 PolarHBondContact O-N 2.8Å; C417-I420 PolarHBondContact O-N 3.12Å; C417-V421 WeakPolarHBondContact O-CB 3.09Å; C417-V421 WeakPolarHBondContact O-CG2 3.46Å; C417-V421 PolarHBondContact O-N 2.77Å |
| 418 | C | 95.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.1 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | L414 L415 T416 V421 S422 Y474 P478 | L414-C418 PolarHBondContact O-N 3.49Å; L414-C418 PolarHBondContact O-SG 3.18Å; L415-C418 WeakPolarHBondContact O-CB 3.45Å; L415-C418 PolarHBondContact O-N 3.21Å; T416-C418 VanDerWaalsContact C-N 3.35Å; T416-C418 PolarHBondContact O-N 3.38Å; C418-V421 PolarHBondContact O-N 2.8Å; C418-S422 WeakPolarHBondContact O-CB 3.25Å; C418-S422 PolarHBondContact O-N 3.26Å; C418-S422 PolarHBondContact O-OG 3.05Å; C418-Y474 WeakPolarHBondContact CB-O 3.44Å; C418-P478 HydrophobicContact CB-CG 4.14Å; C418-P478 WeakPolarHBondContact O-CG 3.34Å |
| 419 | I | 95.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 176.6 | -64 | 163.3 | 0 | 0 | 0 | 110.5 | L17 A20 V24 L415 T416 C417 V421 S422 F423 L820 | L17-I419 HydrophobicContact CD2-CG2 3.88Å; A20-I419 HydrophobicContact CB-CD1 3.63Å; A20-I419 HydrophobicContact CB-CG1 3.87Å; V24-I419 HydrophobicContact CG2-CD1 4.12Å; L415-I419 VanDerWaalsContact O-CG1 3.26Å; L415-I419 WeakPolarHBondContact O-CG1 3.25Å; L415-I419 PolarHBondContact O-N 3.5Å; T416-I419 PolarHBondContact O-N 3.19Å; C417-I419 VanDerWaalsContact C-N 3.34Å; C417-I419 PolarHBondContact O-N 2.8Å; I419-V421 VanDerWaalsContact C-N 3.35Å; I419-V421 PolarHBondContact O-N 3.45Å; I419-S422 WeakPolarHBondContact O-CB 3.38Å; I419-S422 PolarHBondContact O-N 3.42Å; I419-S422 VanDerWaalsContact O-N 3.15Å; I419-F423 HydrophobicContact CG2-CD2 4Å; I419-F423 HydrophobicContact CG2-CE2 3.8Å; I419-F423 WeakPolarHBondContact O-CD2 3.24Å; I419-F423 PolarHBondContact O-N 2.59Å; I419-L820 HydrophobicContact CB-CD2 4.01Å; I419-L820 HydrophobicContact CG2-CD2 3.4Å; I419-L820 VanDerWaalsContact CG2-CD2 3.4Å |
| 420 | I | 95.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.185 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 177.4 | -71.4 | 167.8 | 0 | 0 | 0 | 111.1 | T416 C417 S422 F423 C424 M817 L820 L821 | T416-I420 HydrophobicContact CG2-CD1 4.03Å; T416-I420 WeakPolarHBondContact O-CG1 3.23Å; T416-I420 PolarHBondContact O-N 3.16Å; C417-I420 PolarHBondContact O-N 3.12Å; I420-S422 VanDerWaalsContact C-N 3.25Å; I420-S422 PolarHBondContact O-N 2.76Å; I420-F423 WeakPolarHBondContact O-CB 3.4Å; I420-F423 PolarHBondContact O-N 2.86Å; I420-C424 PolarHBondContact O-N 3.45Å; I420-C424 PolarHBondContact O-SG 3.08Å; I420-C424 VanDerWaalsContact O-SG 3.33Å; I420-M817 HydrophobicContact CG2-CE 4.03Å; I420-L820 HydrophobicContact CG1-CD2 4.06Å; I420-L821 HydrophobicContact CD1-CD2 3.57Å; I420-L821 HydrophobicContact CD1-CG 4.19Å |
| 421 | V | 95.3 | Very high | 91.5 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 35% | 0.345 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 179.7 | 178 | 0 | 0 | 0 | 0 | 110.8 | C417 C418 I419 C424 A425 P478 F482 | C417-V421 WeakPolarHBondContact O-CB 3.09Å; C417-V421 WeakPolarHBondContact O-CG2 3.46Å; C417-V421 PolarHBondContact O-N 2.77Å; C418-V421 PolarHBondContact O-N 2.8Å; I419-V421 VanDerWaalsContact C-N 3.35Å; I419-V421 PolarHBondContact O-N 3.45Å; V421-C424 PolarHBondContact O-N 2.77Å; V421-A425 VanDerWaalsContact O-CB 3.32Å; V421-A425 WeakPolarHBondContact O-CB 3.29Å; V421-A425 PolarHBondContact O-N 3.11Å; V421-P478 HydrophobicContact CB-CB 4.39Å; V421-P478 HydrophobicContact CB-CG 4.49Å; V421-P478 HydrophobicContact CG1-CB 3.87Å; V421-P478 HydrophobicContact CG1-CG 4.48Å; V421-F482 HydrophobicContact CG1-CD2 4.37Å; V421-F482 HydrophobicContact CG1-CE2 3.51Å; V421-F482 HydrophobicContact CG1-CZ 4.35Å |
| 422 | S | 94.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 172.2 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | C418 I419 I420 A425 W426 P478 | C418-S422 WeakPolarHBondContact O-CB 3.25Å; C418-S422 PolarHBondContact O-N 3.26Å; C418-S422 PolarHBondContact O-OG 3.05Å; I419-S422 WeakPolarHBondContact O-CB 3.38Å; I419-S422 PolarHBondContact O-N 3.42Å; I419-S422 VanDerWaalsContact O-N 3.15Å; I420-S422 VanDerWaalsContact C-N 3.25Å; I420-S422 PolarHBondContact O-N 2.76Å; S422-A425 PolarHBondContact O-N 3.24Å; S422-W426 VanDerWaalsContact O-CB 3.25Å; S422-W426 WeakPolarHBondContact O-CB 3.28Å; S422-W426 PolarHBondContact O-N 3.24Å; S422-P478 WeakPolarHBondContact OG-CD 3.44Å; S422-P478 VanDerWaalsContact OG-CG 3.25Å; S422-P478 WeakPolarHBondContact OG-CG 3.48Å |
| 423 | F | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 170.6 | -81.8 | -72.7 | 0 | 0 | 0 | 111.2 | L17 I419 I420 A425 W426 L427 D813 A816 M817 Y839 | L17-F423 HydrophobicContact CB-CE2 4.12Å; L17-F423 HydrophobicContact CB-CZ 3.89Å; L17-F423 HydrophobicContact CD1-CD1 3.75Å; L17-F423 HydrophobicContact CD1-CD2 4.16Å; L17-F423 HydrophobicContact CD1-CE1 3.59Å; L17-F423 HydrophobicContact CD1-CE2 4Å; L17-F423 HydrophobicContact CD1-CG 4.04Å; L17-F423 HydrophobicContact CD1-CZ 3.72Å; L17-F423 HydrophobicContact CD2-CD2 4.45Å; L17-F423 HydrophobicContact CD2-CE2 4.35Å; L17-F423 HydrophobicContact CG-CE2 4.38Å; L17-F423 HydrophobicContact CG-CZ 4.32Å; I419-F423 HydrophobicContact CG2-CD2 4Å; I419-F423 HydrophobicContact CG2-CE2 3.8Å; I419-F423 WeakPolarHBondContact O-CD2 3.24Å; I419-F423 PolarHBondContact O-N 2.59Å; I420-F423 WeakPolarHBondContact O-CB 3.4Å; I420-F423 PolarHBondContact O-N 2.86Å; F423-A425 PolarHBondContact O-N 3.49Å; F423-W426 PolarHBondContact O-N 3.02Å; F423-L427 WeakPolarHBondContact O-CB 3.44Å; F423-L427 VanDerWaalsContact O-CG 3.27Å; F423-L427 WeakPolarHBondContact O-CG 3.33Å; F423-L427 PolarHBondContact O-N 3.39Å; F423-D813 HydrophobicContact CD1-CB 4.05Å; F423-D813 HydrophobicContact CE1-CB 4.43Å; F423-A816 HydrophobicContact CE1-CB 3.98Å; F423-A816 HydrophobicContact CZ-CB 3.91Å; F423-M817 HydrophobicContact CB-CG 3.39Å; F423-M817 HydrophobicContact CB-SD 3.43Å; F423-M817 WeakPolarHBondContact CB-SD 3.47Å; F423-M817 HydrophobicContact CD1-CG 4.18Å; F423-M817 HydrophobicContact CD2-CG 3.74Å; F423-M817 HydrophobicContact CG-CG 3.53Å; F423-M817 HydrophobicContact CG-SD 4.25Å; F423-Y839 HydrophobicContact CZ-CE2 4.42Å |
| 424 | C | 92.3 | Very high | 89.1 | Confident | 47 Ų | 47 | 25.2 Ų | 25.2 | 32% | 0.318 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 112.7 | I420 V421 W426 L427 L428 | I420-C424 PolarHBondContact O-N 3.45Å; I420-C424 PolarHBondContact O-SG 3.08Å; I420-C424 VanDerWaalsContact O-SG 3.33Å; V421-C424 PolarHBondContact O-N 2.77Å; C424-W426 VanDerWaalsContact C-N 3.35Å; C424-L427 PolarHBondContact O-N 2.89Å; C424-L428 WeakPolarHBondContact O-CG 3.47Å; C424-L428 PolarHBondContact O-N 3.17Å |
| 425 | A | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | V421 S422 F423 L428 C429 L481 F482 | V421-A425 VanDerWaalsContact O-CB 3.32Å; V421-A425 WeakPolarHBondContact O-CB 3.29Å; V421-A425 PolarHBondContact O-N 3.11Å; S422-A425 PolarHBondContact O-N 3.24Å; F423-A425 PolarHBondContact O-N 3.49Å; A425-L428 WeakPolarHBondContact O-CB 3.27Å; A425-L428 PolarHBondContact O-N 3.48Å; A425-C429 PolarHBondContact O-N 3.1Å; A425-L481 HydrophobicContact CB-CB 3.59Å; A425-F482 HydrophobicContact CB-CD1 4.24Å; A425-F482 HydrophobicContact CB-CD2 3.75Å; A425-F482 HydrophobicContact CB-CE1 4.36Å; A425-F482 HydrophobicContact CB-CE2 3.89Å; A425-F482 HydrophobicContact CB-CG 3.93Å; A425-F482 HydrophobicContact CB-CZ 4.18Å |
| 426 | W | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.1 | 177.9 | -113.6 | 0 | 0 | 0 | 112.1 | L9 G10 V13 H14 S422 F423 C424 L428 C429 V430 L440 L481 W806 D813 | L9-W426 HydrophobicContact CD2-CH2 4.03Å; L9-W426 HydrophobicContact CD2-CZ3 3.67Å; L9-W426 HydrophobicContact CG-CH2 4.28Å; L9-W426 HydrophobicContact CG-CZ3 4.14Å; G10-W426 VanDerWaalsContact CA-CZ2 3.49Å; V13-W426 HydrophobicContact CG1-CD2 4.13Å; V13-W426 HydrophobicContact CG1-CE3 4.35Å; V13-W426 HydrophobicContact CG1-CG 4.18Å; V13-W426 HydrophobicContact CG2-CE3 4.12Å; V13-W426 HydrophobicContact CG2-CZ3 4.15Å; H14-W426 AromaticContact CE1-NE1 3.49Å; H14-W426 PolarHBondContact CE1-NE1 3.38Å; S422-W426 VanDerWaalsContact O-CB 3.25Å; S422-W426 WeakPolarHBondContact O-CB 3.28Å; S422-W426 PolarHBondContact O-N 3.24Å; F423-W426 PolarHBondContact O-N 3.02Å; C424-W426 VanDerWaalsContact C-N 3.35Å; W426-L428 VanDerWaalsContact C-N 3.25Å; W426-L428 PolarHBondContact O-N 3.2Å; W426-C429 HydrophobicContact CE3-CB 4.33Å; W426-C429 WeakPolarHBondContact O-CA 3.19Å; W426-C429 VanDerWaalsContact O-CB 3.28Å; W426-C429 WeakPolarHBondContact O-CB 3.4Å; W426-C429 PolarHBondContact O-N 3Å; W426-V430 HydrophobicContact CD2-CG2 4.24Å; W426-V430 HydrophobicContact CZ2-CG2 3.98Å; W426-V430 WeakPolarHBondContact O-CG2 3.19Å; W426-V430 PolarHBondContact O-N 3.3Å; W426-L440 HydrophobicContact CZ3-CD2 4.25Å; W426-L481 HydrophobicContact CB-CD1 4.18Å; W426-L481 HydrophobicContact CE3-CD2 4.05Å; W426-W806 HydrophobicContact CH2-CZ3 4.46Å; W426-W806 HydrophobicContact CZ2-CZ3 4.02Å; W426-D813 PolarHBondContact NE1-OD2 3.43Å |
| 427 | L | 88.7 | Confident | 85 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -38.9 | 174.2 | -73.7 | 173.5 | 0 | 0 | 0 | 112 | F423 C424 V430 F431 I810 D813 M817 | F423-L427 WeakPolarHBondContact O-CB 3.44Å; F423-L427 VanDerWaalsContact O-CG 3.27Å; F423-L427 WeakPolarHBondContact O-CG 3.33Å; F423-L427 PolarHBondContact O-N 3.39Å; C424-L427 PolarHBondContact O-N 2.89Å; L427-V430 PolarHBondContact O-N 2.93Å; L427-F431 VanDerWaalsContact O-CB 3.26Å; L427-F431 WeakPolarHBondContact O-CB 3.48Å; L427-F431 PolarHBondContact O-N 3.34Å; L427-I810 HydrophobicContact CD2-CB 4.05Å; L427-I810 HydrophobicContact CD2-CG1 3.91Å; L427-I810 HydrophobicContact CD2-CG2 4.09Å; L427-D813 HydrophobicContact CD2-CB 3.79Å; L427-D813 HydrophobicContact CG-CB 4.28Å; L427-M817 HydrophobicContact CD1-SD 4.19Å |
| 428 | L | 85 | Confident | 83.4 | Confident | 54 Ų | 54 | 31 Ų | 31 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 174.4 | -69.8 | 169.6 | 0 | 0 | 0 | 112.7 | C424 A425 W426 S432 F482 A485 W489 | C424-L428 WeakPolarHBondContact O-CG 3.47Å; C424-L428 PolarHBondContact O-N 3.17Å; A425-L428 WeakPolarHBondContact O-CB 3.27Å; A425-L428 PolarHBondContact O-N 3.48Å; W426-L428 VanDerWaalsContact C-N 3.25Å; W426-L428 PolarHBondContact O-N 3.2Å; L428-S432 WeakPolarHBondContact O-CB 3.42Å; L428-S432 PolarHBondContact O-N 3.1Å; L428-S432 PolarHBondContact O-OG 3.37Å; L428-F482 HydrophobicContact CD1-CD1 4.21Å; L428-F482 HydrophobicContact CD1-CE1 3.47Å; L428-F482 VanDerWaalsContact CD1-CE1 3.47Å; L428-F482 HydrophobicContact CD1-CZ 4.27Å; L428-A485 HydrophobicContact CB-CB 4Å; L428-W489 HydrophobicContact CD2-CZ3 4.23Å |
| 429 | C | 83 | Confident | 81.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 171.3 | -73.7 | 0 | 0 | 0 | 0 | 111.1 | A425 W426 S432 I433 L481 | A425-C429 PolarHBondContact O-N 3.1Å; W426-C429 HydrophobicContact CE3-CB 4.33Å; W426-C429 WeakPolarHBondContact O-CA 3.19Å; W426-C429 VanDerWaalsContact O-CB 3.28Å; W426-C429 WeakPolarHBondContact O-CB 3.4Å; W426-C429 PolarHBondContact O-N 3Å; C429-S432 WeakPolarHBondContact O-CB 3.5Å; C429-S432 PolarHBondContact O-N 3.4Å; C429-I433 WeakPolarHBondContact O-CG1 3.2Å; C429-I433 PolarHBondContact O-N 3.42Å; C429-L481 PolarHBondContact SG-O 2.87Å |
| 430 | V | 84.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | -179.9 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | W426 L427 S432 I433 L434 W806 V809 I810 | W426-V430 HydrophobicContact CD2-CG2 4.24Å; W426-V430 HydrophobicContact CZ2-CG2 3.98Å; W426-V430 WeakPolarHBondContact O-CG2 3.19Å; W426-V430 PolarHBondContact O-N 3.3Å; L427-V430 PolarHBondContact O-N 2.93Å; V430-S432 VanDerWaalsContact C-N 3.26Å; V430-S432 PolarHBondContact O-N 3.02Å; V430-I433 WeakPolarHBondContact O-CB 3.41Å; V430-I433 PolarHBondContact O-N 2.94Å; V430-I433 VanDerWaalsContact O-N 3.11Å; V430-L434 PolarHBondContact O-N 3.14Å; V430-W806 HydrophobicContact CB-CE3 4.2Å; V430-W806 HydrophobicContact CG1-CB 3.73Å; V430-W806 HydrophobicContact CG1-CD2 3.98Å; V430-W806 HydrophobicContact CG1-CE3 3.52Å; V430-W806 HydrophobicContact CG1-CG 4.11Å; V430-W806 HydrophobicContact CG1-CZ3 4.39Å; V430-W806 HydrophobicContact CG2-CE3 3.75Å; V430-W806 HydrophobicContact CG2-CZ3 3.79Å; V430-V809 HydrophobicContact CG2-CG1 4.13Å; V430-I810 HydrophobicContact CB-CG1 4.37Å; V430-I810 HydrophobicContact CG1-CD1 3.91Å; V430-I810 HydrophobicContact CG1-CG1 3.76Å |
| 431 | F | 80.2 | Confident | 78.8 | Confident | 74 Ų | 74 | 36 Ų | 36 | 33% | 0.325 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 176.8 | -178.8 | -97.9 | 0 | 0 | 0 | 112.3 | L427 L434 V435 L492 I495 | L427-F431 VanDerWaalsContact O-CB 3.26Å; L427-F431 WeakPolarHBondContact O-CB 3.48Å; L427-F431 PolarHBondContact O-N 3.34Å; F431-L434 WeakPolarHBondContact O-CB 3.28Å; F431-L434 PolarHBondContact O-N 3.17Å; F431-V435 HydrophobicContact CE1-CG2 4.09Å; F431-V435 HydrophobicContact CZ-CG2 4.11Å; F431-V435 PolarHBondContact O-N 3Å; F431-L492 HydrophobicContact CD1-CD1 3.93Å; F431-L492 HydrophobicContact CD1-CD2 4.49Å; F431-L492 HydrophobicContact CE1-CD1 4.03Å; F431-L492 HydrophobicContact CE1-CD2 4.11Å; F431-I495 HydrophobicContact CE1-CD1 3.25Å; F431-I495 HydrophobicContact CZ-CD1 3.41Å; F431-I495 VanDerWaalsContact CZ-CD1 3.41Å; F431-I495 HydrophobicContact CZ-CG1 4.32Å |
| 432 | S | 76.2 | Confident | 77.2 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 174.8 | -60 | 0 | 0 | 0 | 0 | 113.1 | L428 C429 V430 L434 V435 K436 R488 L492 | L428-S432 WeakPolarHBondContact O-CB 3.42Å; L428-S432 PolarHBondContact O-N 3.1Å; L428-S432 PolarHBondContact O-OG 3.37Å; C429-S432 WeakPolarHBondContact O-CB 3.5Å; C429-S432 PolarHBondContact O-N 3.4Å; V430-S432 VanDerWaalsContact C-N 3.26Å; V430-S432 PolarHBondContact O-N 3.02Å; S432-L434 VanDerWaalsContact C-N 3.3Å; S432-V435 PolarHBondContact O-N 3.31Å; S432-K436 PolarHBondContact O-N 3.2Å; S432-R488 VanDerWaalsContact CB-CB 3.43Å; S432-R488 VanDerWaalsContact CB-CD 3.46Å; S432-L492 WeakPolarHBondContact OG-CD1 3.17Å |
| 433 | I | 76.5 | Confident | 75.9 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 172.3 | -65.9 | 162.9 | 0 | 0 | 0 | 109.9 | C429 V430 V435 S437 L440 W806 | C429-I433 WeakPolarHBondContact O-CG1 3.2Å; C429-I433 PolarHBondContact O-N 3.42Å; V430-I433 WeakPolarHBondContact O-CB 3.41Å; V430-I433 PolarHBondContact O-N 2.94Å; V430-I433 VanDerWaalsContact O-N 3.11Å; I433-V435 PolarHBondContact O-N 3.42Å; I433-S437 WeakPolarHBondContact O-CA 3.44Å; I433-S437 PolarHBondContact O-N 3.45Å; I433-L440 HydrophobicContact CD1-CB 4.29Å; I433-W806 HydrophobicContact CD1-CH2 3.92Å; I433-W806 HydrophobicContact CD1-CZ2 3.73Å; I433-W806 HydrophobicContact CD1-CZ3 4.47Å; I433-W806 HydrophobicContact CG2-CZ2 4.35Å |
| 434 | L | 75.5 | Confident | 74.6 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 179.6 | -77.2 | 177.3 | 0 | 0 | 0 | 113.1 | V430 F431 S432 V717 I803 W806 L807 I810 | V430-L434 PolarHBondContact O-N 3.14Å; F431-L434 WeakPolarHBondContact O-CB 3.28Å; F431-L434 PolarHBondContact O-N 3.17Å; S432-L434 VanDerWaalsContact C-N 3.3Å; L434-V717 HydrophobicContact CB-CG2 4.11Å; L434-V717 HydrophobicContact CD2-CG2 4.19Å; L434-V717 WeakPolarHBondContact O-CG2 3.5Å; L434-I803 HydrophobicContact CD2-CB 4.09Å; L434-I803 HydrophobicContact CD2-CG1 4.09Å; L434-I803 HydrophobicContact CD2-CG2 3.91Å; L434-W806 HydrophobicContact CD1-CB 4.2Å; L434-W806 HydrophobicContact CD2-CB 3.62Å; L434-W806 HydrophobicContact CD2-CG 4.32Å; L434-W806 HydrophobicContact CG-CB 3.88Å; L434-L807 HydrophobicContact CD1-CD2 3.91Å; L434-L807 HydrophobicContact CD1-CG 4.16Å; L434-I810 HydrophobicContact CD1-CD1 3.59Å |
| 435 | V | 70.9 | Confident | 73.4 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.8 | -44.9 | -175 | 175.5 | 0 | 0 | 0 | 0 | 113.4 | F431 S432 I433 L492 I495 | F431-V435 HydrophobicContact CE1-CG2 4.09Å; F431-V435 HydrophobicContact CZ-CG2 4.11Å; F431-V435 PolarHBondContact O-N 3Å; S432-V435 PolarHBondContact O-N 3.31Å; I433-V435 PolarHBondContact O-N 3.42Å; V435-L492 HydrophobicContact CB-CD2 3.56Å; V435-L492 HydrophobicContact CG1-CD2 3.63Å; V435-L492 HydrophobicContact CG2-CD2 3.6Å; V435-I495 HydrophobicContact CG2-CD1 4.39Å |
| 436 | K | 65 | Low | 72.3 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -99.1 | -13.7 | -176.1 | -87.7 | -167.9 | 148.3 | -166.1 | 0 | 114.7 | S432 E438 N491 | S432-K436 PolarHBondContact O-N 3.2Å; K436-E438 HydrophobicContact CB-CG 4.31Å; K436-E438 IonicContact NZ-OE1 3.52Å; K436-E438 PolarHBondContact O-N 3.33Å; K436-N491 HydrophobicContact CD-CB 3.55Å; K436-N491 VanDerWaalsContact CE-CB 3.41Å; K436-N491 VanDerWaalsContact CE-CG 3.49Å; K436-N491 HydrophobicContact CG-CB 4.47Å; K436-N491 PolarHBondContact NZ-ND2 2.88Å; K436-N491 PolarHBondContact NZ-OD1 2.85Å |
| 437 | S | 60.5 | Low | 71.4 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | trans | 54.8 | 29.8 | -175.4 | -166.7 | 0 | 0 | 0 | 0 | 115.1 | I433 R800 | I433-S437 WeakPolarHBondContact O-CA 3.44Å; I433-S437 PolarHBondContact O-N 3.45Å; S437-R800 PolarHBondContact OG-NH1 3.48Å | ||
| 438 | E | 62.3 | Low | 70.9 | Confident | 97 Ų | 97 | 53.4 Ų | 53.4 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | trans | -93.7 | 141.8 | 174.8 | -70.3 | 170.5 | -170.6 | 0 | 0 | 110.8 | K436 R488 | K436-E438 HydrophobicContact CB-CG 4.31Å; K436-E438 IonicContact NZ-OE1 3.52Å; K436-E438 PolarHBondContact O-N 3.33Å; E438-R488 PolarHBondContact O-NH1 3.06Å | ||
| 439 | S | 63.5 | Low | 70.8 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | trans | -61.3 | 139.4 | 173.9 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | D441 R488 | S439-D441 PolarHBondContact O-N 3.44Å; S439-D441 VanDerWaalsContact O-N 3.13Å; S439-R488 PolarHBondContact O-NH2 2.85Å | ||
| 440 | L | 63 | Low | 70.8 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | trans | -64.3 | 108.4 | 177.6 | -167.2 | 61.3 | 0 | 0 | 0 | 111.2 | L9 W426 I433 L442 A484 | L9-L440 HydrophobicContact CD2-CD2 3.32Å; L9-L440 HydrophobicContact CD2-CG 4.43Å; W426-L440 HydrophobicContact CZ3-CD2 4.25Å; I433-L440 HydrophobicContact CD1-CB 4.29Å; L440-L442 HydrophobicContact CD2-CD2 3.85Å; L440-L442 HydrophobicContact CD2-CG 4.31Å; L440-L442 HydrophobicContact CG-CD2 3.9Å; L440-L442 HydrophobicContact CG-CG 4.14Å; L440-A484 HydrophobicContact CD1-CB 4.36Å | ||
| 441 | D | 63.3 | Low | 70.7 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | trans | -84.5 | 111.5 | 166.8 | -174 | 9.4 | 0 | 0 | 0 | 108.6 | S439 T443 H446 | S439-D441 PolarHBondContact O-N 3.44Å; S439-D441 VanDerWaalsContact O-N 3.13Å; D441-T443 VanDerWaalsContact CG-OG1 3.23Å; D441-T443 VanDerWaalsContact OD1-CB 3.29Å; D441-T443 WeakPolarHBondContact OD1-CB 3.35Å; D441-T443 WeakPolarHBondContact OD1-CG2 3.49Å; D441-T443 PolarHBondContact OD1-N 3.18Å; D441-T443 PolarHBondContact OD1-OG1 3.38Å; D441-T443 PolarHBondContact OD2-OG1 2.96Å; D441-T443 VanDerWaalsContact OD2-OG1 3.08Å; D441-H446 IonicContact OD2-CE1 2.83Å; D441-H446 PolarHBondContact OD2-CE1 3.35Å; D441-H446 IonicContact OD2-ND1 2.73Å; D441-H446 PolarHBondContact OD2-ND1 3.37Å | ||
| 442 | L | 63.6 | Low | 70.9 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | trans | -97.1 | -2.2 | 177.8 | -72.9 | 178.4 | 0 | 0 | 0 | 112.9 | L9 L440 L444 Y480 A484 | L9-L442 HydrophobicContact CB-CD1 4.23Å; L9-L442 HydrophobicContact CD1-CD1 3.38Å; L9-L442 HydrophobicContact CD2-CD1 3.27Å; L9-L442 HydrophobicContact CD2-CD2 3.73Å; L9-L442 HydrophobicContact CD2-CG 3.85Å; L9-L442 HydrophobicContact CG-CD1 3.74Å; L440-L442 HydrophobicContact CD2-CD2 3.85Å; L440-L442 HydrophobicContact CD2-CG 4.31Å; L440-L442 HydrophobicContact CG-CD2 3.9Å; L440-L442 HydrophobicContact CG-CG 4.14Å; L442-L444 PolarHBondContact O-N 2.94Å; L442-Y480 WeakPolarHBondContact CB-OH 3.17Å; L442-Y480 HydrophobicContact CD2-CE1 4.26Å; L442-A484 HydrophobicContact CD2-CB 4.07Å | ||
| 443 | T | 66.4 | Low | 71.5 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | trans | -65.1 | 132.9 | 176.2 | 65.7 | 0 | 0 | 0 | 0 | 108 | D441 S445 | D441-T443 VanDerWaalsContact CG-OG1 3.23Å; D441-T443 VanDerWaalsContact OD1-CB 3.29Å; D441-T443 WeakPolarHBondContact OD1-CB 3.35Å; D441-T443 WeakPolarHBondContact OD1-CG2 3.49Å; D441-T443 PolarHBondContact OD1-N 3.18Å; D441-T443 PolarHBondContact OD1-OG1 3.38Å; D441-T443 PolarHBondContact OD2-OG1 2.96Å; D441-T443 VanDerWaalsContact OD2-OG1 3.08Å; T443-S445 PolarHBondContact O-N 3.35Å; T443-S445 PolarHBondContact OG1-OG 2.95Å | ||
| 444 | L | 65.4 | Low | 72.1 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -67.5 | 7.9 | 173.5 | -68.9 | 169.7 | 0 | 0 | 0 | 112.4 | L442 H446 C447 L452 I455 Y480 L483 | L442-L444 PolarHBondContact O-N 2.94Å; L444-H446 VanDerWaalsContact C-N 3.33Å; L444-H446 PolarHBondContact O-N 3.15Å; L444-C447 VanDerWaalsContact CA-SG 3.54Å; L444-C447 WeakPolarHBondContact O-CB 3.44Å; L444-C447 PolarHBondContact O-N 3.3Å; L444-L452 HydrophobicContact CB-CD2 4.18Å; L444-L452 HydrophobicContact CD1-CD2 4.27Å; L444-L452 HydrophobicContact CD2-CD2 4.11Å; L444-L452 HydrophobicContact CG-CD2 4.42Å; L444-I455 HydrophobicContact CD2-CD1 4.38Å; L444-Y480 HydrophobicContact CD2-CE2 4.46Å; L444-L483 HydrophobicContact CD2-CD2 3.68Å |
| 445 | S | 67.2 | Low | 72.7 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 59% | 0.594 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -65.2 | -34 | -174.7 | 67 | 0 | 0 | 0 | 0 | 112.9 | T443 C447 | T443-S445 PolarHBondContact O-N 3.35Å; T443-S445 PolarHBondContact OG1-OG 2.95Å; S445-C447 VanDerWaalsContact C-N 3.35Å |
| 446 | H | 67.2 | Low | 73.7 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -90.1 | 1.4 | 179.6 | -65.3 | 96.4 | 0 | 0 | 0 | 113.5 | D441 L444 L487 | D441-H446 IonicContact OD2-CE1 2.83Å; D441-H446 PolarHBondContact OD2-CE1 3.35Å; D441-H446 IonicContact OD2-ND1 2.73Å; D441-H446 PolarHBondContact OD2-ND1 3.37Å; L444-H446 VanDerWaalsContact C-N 3.33Å; L444-H446 PolarHBondContact O-N 3.15Å; H446-L487 HydrophobicContact CB-CD1 4.21Å; H446-L487 HydrophobicContact CB-CD2 3.91Å; H446-L487 WeakPolarHBondContact O-CD2 3.27Å |
| 447 | C | 71.8 | Confident | 75 | Confident | 14 Ų | 14 | 66 Ų | 66 | 10% | 0.095 | 39% | 0.391 | C | S | . | . | trans | -80.3 | 134.9 | -172.7 | -60 | 0 | 0 | 0 | 0 | 110.7 | L444 S445 L452 L483 | L444-C447 VanDerWaalsContact CA-SG 3.54Å; L444-C447 WeakPolarHBondContact O-CB 3.44Å; L444-C447 PolarHBondContact O-N 3.3Å; S445-C447 VanDerWaalsContact C-N 3.35Å; C447-L452 HydrophobicContact CB-CD1 4.46Å; C447-L452 HydrophobicContact CB-CD2 4.11Å; C447-L452 HydrophobicContact CB-CG 3.97Å; C447-L483 HydrophobicContact CB-CD1 4.09Å; C447-L483 HydrophobicContact CB-CD2 4.03Å; C447-L483 HydrophobicContact CB-CG 4.42Å; C447-L483 VanDerWaalsContact SG-CD1 3.6Å; C447-L483 WeakPolarHBondContact SG-CD2 3.38Å; C447-L483 WeakPolarHBondContact SG-CG 3.39Å | ||
| 448 | N | 79.1 | Confident | 76.5 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | trans | -73.1 | 154.2 | 175.8 | -71.7 | 6.9 | 0 | 0 | 0 | 110.1 | I450 E451 L452 | N448-I450 PolarHBondContact O-N 3.4Å; N448-E451 PolarHBondContact N-OE2 2.81Å; N448-E451 PolarHBondContact O-N 2.83Å; N448-L452 PolarHBondContact O-N 2.84Å; N448-L452 VanDerWaalsContact O-N 3.16Å | ||
| 449 | N | 81.8 | Confident | 78 | Confident | 144 Ų | 144 | 64.1 Ų | 64.1 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -52.3 | -31.2 | 177.8 | -69.9 | -17.4 | 0 | 0 | 0 | 113.5 | G453 | N449-G453 PolarHBondContact O-N 2.87Å |
| 450 | I | 82.9 | Confident | 79.5 | Confident | 137 Ų | 137 | 65.3 Ų | 65.3 | 70% | 0.703 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.2 | -45 | 176.4 | -61 | 173.8 | 0 | 0 | 0 | 111 | N448 G453 V454 | N448-I450 PolarHBondContact O-N 3.4Å; I450-G453 CarbonylContact O-C 3.3Å; I450-G453 WeakPolarHBondContact O-CA 3.35Å; I450-G453 PolarHBondContact O-N 3.3Å; I450-G453 VanDerWaalsContact O-N 3.16Å; I450-V454 WeakPolarHBondContact O-CG2 3.34Å; I450-V454 PolarHBondContact O-N 2.84Å |
| 451 | E | 83.2 | Confident | 80.9 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.9 | -41.3 | -176.9 | -66.3 | 167.8 | 149.2 | 0 | 0 | 111.2 | N448 G453 V454 I455 L483 N486 | N448-E451 PolarHBondContact N-OE2 2.81Å; N448-E451 PolarHBondContact O-N 2.83Å; E451-G453 VanDerWaalsContact C-N 3.29Å; E451-G453 PolarHBondContact O-N 2.9Å; E451-V454 PolarHBondContact O-N 3.45Å; E451-I455 PolarHBondContact O-N 3.05Å; E451-L483 HydrophobicContact CB-CD1 3.46Å; E451-L483 VanDerWaalsContact CB-CD1 3.46Å; E451-L483 HydrophobicContact CB-CD2 4.09Å; E451-L483 HydrophobicContact CB-CG 4.37Å; E451-L483 HydrophobicContact CG-CD1 3.67Å; E451-L483 WeakPolarHBondContact OE2-CD1 3.43Å; E451-N486 PolarHBondContact OE1-ND2 2.99Å |
| 452 | L | 83.6 | Confident | 82.2 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 170 | -68.4 | 173.6 | 0 | 0 | 0 | 111.5 | L444 C447 N448 V454 I455 G456 | L444-L452 HydrophobicContact CB-CD2 4.18Å; L444-L452 HydrophobicContact CD1-CD2 4.27Å; L444-L452 HydrophobicContact CD2-CD2 4.11Å; L444-L452 HydrophobicContact CG-CD2 4.42Å; C447-L452 HydrophobicContact CB-CD1 4.46Å; C447-L452 HydrophobicContact CB-CD2 4.11Å; C447-L452 HydrophobicContact CB-CG 3.97Å; N448-L452 PolarHBondContact O-N 2.84Å; N448-L452 VanDerWaalsContact O-N 3.16Å; L452-V454 VanDerWaalsContact C-N 3.32Å; L452-V454 PolarHBondContact O-N 3.33Å; L452-I455 PolarHBondContact O-N 2.95Å; L452-G456 PolarHBondContact O-N 2.95Å |
| 453 | G | 88.3 | Confident | 83.6 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 46% | 0.464 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N449 I450 E451 G457 | N449-G453 PolarHBondContact O-N 2.87Å; I450-G453 CarbonylContact O-C 3.3Å; I450-G453 WeakPolarHBondContact O-CA 3.35Å; I450-G453 PolarHBondContact O-N 3.3Å; I450-G453 VanDerWaalsContact O-N 3.16Å; E451-G453 VanDerWaalsContact C-N 3.29Å; E451-G453 PolarHBondContact O-N 2.9Å; G453-G457 PolarHBondContact O-N 3.43Å |
| 454 | V | 89 | Confident | 84.8 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.2 | -48 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 111 | I450 E451 L452 G456 G457 V458 F479 | I450-V454 WeakPolarHBondContact O-CG2 3.34Å; I450-V454 PolarHBondContact O-N 2.84Å; E451-V454 PolarHBondContact O-N 3.45Å; L452-V454 VanDerWaalsContact C-N 3.32Å; L452-V454 PolarHBondContact O-N 3.33Å; V454-G456 VanDerWaalsContact C-N 3.34Å; V454-G456 PolarHBondContact O-N 3.04Å; V454-G457 PolarHBondContact O-N 3.31Å; V454-V458 WeakPolarHBondContact O-CG2 3.19Å; V454-V458 PolarHBondContact O-N 3.14Å; V454-F479 HydrophobicContact CG1-CD1 3.51Å; V454-F479 HydrophobicContact CG1-CE1 3.91Å; V454-F479 HydrophobicContact CG1-CG 4.24Å |
| 455 | I | 89.4 | Confident | 86 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176.7 | -66.8 | 175.6 | 0 | 0 | 0 | 110.3 | L444 E451 L452 G457 V458 L459 V476 F479 L483 | L444-I455 HydrophobicContact CD2-CD1 4.38Å; E451-I455 PolarHBondContact O-N 3.05Å; L452-I455 PolarHBondContact O-N 2.95Å; I455-G457 VanDerWaalsContact C-N 3.28Å; I455-G457 PolarHBondContact O-N 3.06Å; I455-V458 PolarHBondContact O-N 2.83Å; I455-L459 HydrophobicContact CG2-CD1 4Å; I455-L459 HydrophobicContact CG2-CG 4.46Å; I455-L459 WeakPolarHBondContact O-CB 3.24Å; I455-L459 WeakPolarHBondContact O-CG 3.47Å; I455-L459 PolarHBondContact O-N 2.97Å; I455-V476 HydrophobicContact CG2-CG1 4.15Å; I455-F479 HydrophobicContact CG1-CB 4.21Å; I455-L483 HydrophobicContact CD1-CD2 3.56Å |
| 456 | G | 90.7 | Very high | 87.2 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L452 V454 L459 F460 | L452-G456 PolarHBondContact O-N 2.95Å; V454-G456 VanDerWaalsContact C-N 3.34Å; V454-G456 PolarHBondContact O-N 3.04Å; G456-L459 PolarHBondContact O-N 2.72Å; G456-F460 VanDerWaalsContact O-CB 3.25Å; G456-F460 WeakPolarHBondContact O-CB 3.13Å; G456-F460 PolarHBondContact O-N 3.2Å |
| 457 | G | 92.8 | Very high | 88.3 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G453 V454 I455 F460 L461 | G453-G457 PolarHBondContact O-N 3.43Å; V454-G457 PolarHBondContact O-N 3.31Å; I455-G457 VanDerWaalsContact C-N 3.28Å; I455-G457 PolarHBondContact O-N 3.06Å; G457-F460 PolarHBondContact O-N 2.91Å; G457-L461 WeakPolarHBondContact O-CB 3.33Å; G457-L461 VanDerWaalsContact O-CG 3.27Å; G457-L461 WeakPolarHBondContact O-CG 3.43Å; G457-L461 PolarHBondContact O-N 3.16Å |
| 458 | V | 92.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.5 | 176 | 0 | 0 | 0 | 0 | 110.8 | V454 I455 F460 L461 S462 V476 F479 | V454-V458 WeakPolarHBondContact O-CG2 3.19Å; V454-V458 PolarHBondContact O-N 3.14Å; I455-V458 PolarHBondContact O-N 2.83Å; V458-F460 VanDerWaalsContact C-N 3.34Å; V458-L461 PolarHBondContact O-N 3.31Å; V458-S462 WeakPolarHBondContact O-CB 3.33Å; V458-S462 PolarHBondContact O-N 3.06Å; V458-S462 PolarHBondContact O-OG 3.38Å; V458-S462 VanDerWaalsContact O-OG 3.1Å; V458-V476 HydrophobicContact CB-CG2 4.47Å; V458-V476 HydrophobicContact CG1-CG2 3.8Å; V458-F479 HydrophobicContact CG1-CD2 4.36Å; V458-F479 HydrophobicContact CG1-CE2 4.31Å; V458-F479 HydrophobicContact CG2-CD2 3.73Å; V458-F479 HydrophobicContact CG2-CE1 4.39Å; V458-F479 HydrophobicContact CG2-CE2 3.55Å; V458-F479 HydrophobicContact CG2-CG 4.23Å; V458-F479 HydrophobicContact CG2-CZ 3.9Å |
| 459 | L | 93.9 | Very high | 89.8 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 42% | 0.424 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 173.9 | -73.4 | 170.8 | 0 | 0 | 0 | 111.7 | I455 G456 S462 W463 T472 V476 | I455-L459 HydrophobicContact CG2-CD1 4Å; I455-L459 HydrophobicContact CG2-CG 4.46Å; I455-L459 WeakPolarHBondContact O-CB 3.24Å; I455-L459 WeakPolarHBondContact O-CG 3.47Å; I455-L459 PolarHBondContact O-N 2.97Å; G456-L459 PolarHBondContact O-N 2.72Å; L459-S462 PolarHBondContact O-N 3.25Å; L459-W463 WeakPolarHBondContact O-CB 3.32Å; L459-W463 PolarHBondContact O-N 3.38Å; L459-T472 HydrophobicContact CD2-CG2 3.69Å; L459-V476 HydrophobicContact CD2-CG2 3.67Å; L459-V476 HydrophobicContact CG-CG2 4.01Å |
| 460 | F | 93.8 | Very high | 90.3 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.6 | 177.7 | -103.3 | 0 | 0 | 0 | 111.4 | G456 G457 V458 S462 W463 C464 | G456-F460 VanDerWaalsContact O-CB 3.25Å; G456-F460 WeakPolarHBondContact O-CB 3.13Å; G456-F460 PolarHBondContact O-N 3.2Å; G457-F460 PolarHBondContact O-N 2.91Å; V458-F460 VanDerWaalsContact C-N 3.34Å; F460-S462 PolarHBondContact O-N 3.05Å; F460-W463 HydrophobicContact CD2-CE3 4.06Å; F460-W463 HydrophobicContact CD2-CZ3 4.43Å; F460-W463 HydrophobicContact CE2-CE3 4.02Å; F460-W463 AromaticContact CE2-CZ3 3.97Å; F460-W463 HydrophobicContact CE2-CZ3 3.97Å; F460-W463 WeakPolarHBondContact O-CB 3.25Å; F460-W463 PolarHBondContact O-N 2.67Å; F460-C464 VanDerWaalsContact CE1-SG 3.52Å; F460-C464 WeakPolarHBondContact CZ-SG 3.12Å; F460-C464 WeakPolarHBondContact O-CB 3.16Å; F460-C464 PolarHBondContact O-N 3.38Å; F460-C464 PolarHBondContact O-SG 3.41Å |
| 461 | L | 92.5 | Very high | 90.8 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 41% | 0.414 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.8 | -73.2 | 172.7 | 0 | 0 | 0 | 112.1 | F358 G457 V458 W463 C464 N465 | F358-L461 HydrophobicContact CE2-CD2 3.96Å; F358-L461 HydrophobicContact CZ-CD2 3.94Å; G457-L461 WeakPolarHBondContact O-CB 3.33Å; G457-L461 VanDerWaalsContact O-CG 3.27Å; G457-L461 WeakPolarHBondContact O-CG 3.43Å; G457-L461 PolarHBondContact O-N 3.16Å; V458-L461 PolarHBondContact O-N 3.31Å; L461-W463 VanDerWaalsContact C-N 3.32Å; L461-C464 PolarHBondContact O-N 3.01Å; L461-N465 PolarHBondContact O-N 3.37Å; L461-N465 PolarHBondContact O-ND2 2.8Å |
| 462 | S | 92 | Very high | 91.3 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 174.7 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | V458 L459 F460 N465 S466 F467 T475 | V458-S462 WeakPolarHBondContact O-CB 3.33Å; V458-S462 PolarHBondContact O-N 3.06Å; V458-S462 PolarHBondContact O-OG 3.38Å; V458-S462 VanDerWaalsContact O-OG 3.1Å; L459-S462 PolarHBondContact O-N 3.25Å; F460-S462 PolarHBondContact O-N 3.05Å; S462-N465 CarbonylContact O-C 3.57Å; S462-N465 PolarHBondContact O-N 2.98Å; S462-S466 PolarHBondContact O-N 3.25Å; S462-S466 VanDerWaalsContact O-N 3.17Å; S462-F467 PolarHBondContact O-N 3.09Å; S462-T475 PolarHBondContact OG-OG1 2.85Å |
| 463 | W | 91.8 | Very high | 91.7 | Very high | 192 Ų | 192 | 56.5 Ų | 56.5 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.4 | -45.3 | 174.4 | 179 | 70.2 | 0 | 0 | 0 | 112.2 | L459 F460 L461 N465 S466 | L459-W463 WeakPolarHBondContact O-CB 3.32Å; L459-W463 PolarHBondContact O-N 3.38Å; F460-W463 HydrophobicContact CD2-CE3 4.06Å; F460-W463 HydrophobicContact CD2-CZ3 4.43Å; F460-W463 HydrophobicContact CE2-CE3 4.02Å; F460-W463 AromaticContact CE2-CZ3 3.97Å; F460-W463 HydrophobicContact CE2-CZ3 3.97Å; F460-W463 WeakPolarHBondContact O-CB 3.25Å; F460-W463 PolarHBondContact O-N 2.67Å; L461-W463 VanDerWaalsContact C-N 3.32Å; W463-N465 VanDerWaalsContact C-N 3.27Å; W463-N465 PolarHBondContact O-N 3.37Å; W463-S466 PolarHBondContact O-N 3.31Å |
| 464 | C | 91 | Very high | 92 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -41.2 | 174.4 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | W355 F460 L461 S466 | W355-C464 HydrophobicContact CD2-CB 4.14Å; W355-C464 HydrophobicContact CG-CB 4.33Å; W355-C464 HydrophobicContact CZ2-CB 4.18Å; W355-C464 PolarHBondContact NE1-O 2.82Å; W355-C464 VanDerWaalsContact NE1-O 3.12Å; F460-C464 VanDerWaalsContact CE1-SG 3.52Å; F460-C464 WeakPolarHBondContact CZ-SG 3.12Å; F460-C464 WeakPolarHBondContact O-CB 3.16Å; F460-C464 PolarHBondContact O-N 3.38Å; F460-C464 PolarHBondContact O-SG 3.41Å; L461-C464 PolarHBondContact O-N 3.01Å; C464-S466 VanDerWaalsContact C-N 3.26Å; C464-S466 PolarHBondContact O-N 2.65Å |
| 465 | N | 91.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 17.8 | 177.4 | -64.5 | -75 | 0 | 0 | 0 | 113.4 | M353 Y354 W355 L461 S462 W463 F467 | M353-N465 CarbonylContact C-O 3.58Å; M353-N465 WeakPolarHBondContact CG-O 3.26Å; M353-N465 CarbonylContact O-C 3.41Å; M353-N465 WeakPolarHBondContact O-CA 3.33Å; Y354-N465 WeakPolarHBondContact CA-OD1 3.48Å; Y354-N465 HydrophobicContact CD1-CB 4.22Å; Y354-N465 VanDerWaalsContact CD1-OD1 3.24Å; Y354-N465 WeakPolarHBondContact CD1-OD1 3.45Å; W355-N465 PolarHBondContact N-OD1 3.08Å; L461-N465 PolarHBondContact O-N 3.37Å; L461-N465 PolarHBondContact O-ND2 2.8Å; S462-N465 CarbonylContact O-C 3.57Å; S462-N465 PolarHBondContact O-N 2.98Å; W463-N465 VanDerWaalsContact C-N 3.27Å; W463-N465 PolarHBondContact O-N 3.37Å; N465-F467 HydrophobicContact CB-CD1 3.78Å; N465-F467 HydrophobicContact CB-CE1 3.55Å; N465-F467 HydrophobicContact CB-CG 4.44Å; N465-F467 HydrophobicContact CB-CZ 4.05Å; N465-F467 WeakPolarHBondContact O-CD1 3.33Å; N465-F467 PolarHBondContact O-N 3.36Å |
| 466 | S | 92.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 52 Ų | 52 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 36.5 | 176.6 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | S462 W463 C464 | S462-S466 PolarHBondContact O-N 3.25Å; S462-S466 VanDerWaalsContact O-N 3.17Å; W463-S466 PolarHBondContact O-N 3.31Å; C464-S466 VanDerWaalsContact C-N 3.26Å; C464-S466 PolarHBondContact O-N 2.65Å |
| 467 | F | 91.6 | Very high | 92.4 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | trans | -66.4 | 141.6 | -176.4 | -78.9 | -2 | 0 | 0 | 0 | 111.1 | M353 Y354 S462 N465 F471 T475 | M353-F467 HydrophobicContact CE-CD1 4.36Å; M353-F467 HydrophobicContact CE-CE1 4.24Å; M353-F467 HydrophobicContact CG-CD1 4.44Å; M353-F467 HydrophobicContact SD-CD1 4.44Å; Y354-F467 HydrophobicContact CD1-CE1 4.41Å; Y354-F467 AromaticContact CE1-CE1 3.66Å; Y354-F467 HydrophobicContact CE1-CE1 3.66Å; Y354-F467 AromaticContact CE1-CZ 3.73Å; Y354-F467 HydrophobicContact CE1-CZ 3.73Å; Y354-F467 HydrophobicContact CE2-CE1 4.18Å; Y354-F467 AromaticContact CZ-CE1 3.51Å; Y354-F467 AromaticContact CZ-CZ 3.82Å; Y354-F467 WeakPolarHBondContact OH-CE1 3.43Å; Y354-F467 WeakPolarHBondContact OH-CZ 3.1Å; S462-F467 PolarHBondContact O-N 3.09Å; N465-F467 HydrophobicContact CB-CD1 3.78Å; N465-F467 HydrophobicContact CB-CE1 3.55Å; N465-F467 HydrophobicContact CB-CG 4.44Å; N465-F467 HydrophobicContact CB-CZ 4.05Å; N465-F467 WeakPolarHBondContact O-CD1 3.33Å; N465-F467 PolarHBondContact O-N 3.36Å; F467-F471 HydrophobicContact CB-CB 4.21Å; F467-F471 HydrophobicContact CD2-CB 4.34Å; F467-F471 HydrophobicContact CG-CB 4.36Å; F467-T475 HydrophobicContact CE2-CG2 4.47Å | ||
| 468 | P | 91.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | trans | -61.5 | 158.2 | 169.7 | 28.4 | -34.3 | 0 | 0 | 0 | 110.2 | T470 F471 T472 | P468-T470 PolarHBondContact O-N 2.93Å; P468-F471 HydrophobicContact CG-CB 3.94Å; P468-F471 HydrophobicContact CG-CD1 3.9Å; P468-F471 HydrophobicContact CG-CD2 3.62Å; P468-F471 HydrophobicContact CG-CE1 4.28Å; P468-F471 HydrophobicContact CG-CE2 4.04Å; P468-F471 HydrophobicContact CG-CG 3.54Å; P468-F471 HydrophobicContact CG-CZ 4.35Å; P468-F471 PolarHBondContact O-N 3.4Å; P468-F471 VanDerWaalsContact O-N 3.1Å; P468-T472 PolarHBondContact O-N 3.41Å; P468-T472 PolarHBondContact O-OG1 3.16Å | ||
| 469 | L | 91 | Very high | 92.3 | Very high | 153 Ų | 153 | 53.9 Ų | 53.9 | 80% | 0.801 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.3 | -35.4 | -177.9 | -175.2 | 65.8 | 0 | 0 | 0 | 112.3 | T472 L473 | L469-T472 PolarHBondContact O-N 3.28Å; L469-L473 WeakPolarHBondContact O-CB 3.16Å; L469-L473 PolarHBondContact O-N 3.36Å |
| 470 | T | 91.6 | Very high | 92 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 26% | 0.258 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.7 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | Y19 D23 P468 T472 L473 Y474 | Y19-T470 HydrophobicContact CE1-CG2 4.18Å; D23-T470 PolarHBondContact OD2-OG1 3.44Å; P468-T470 PolarHBondContact O-N 2.93Å; T470-T472 VanDerWaalsContact C-N 3.34Å; T470-T472 PolarHBondContact O-N 3.41Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 2.94Å; T470-Y474 WeakPolarHBondContact O-CD1 3.34Å; T470-Y474 WeakPolarHBondContact O-CD2 3.48Å; T470-Y474 WeakPolarHBondContact O-CE2 3.35Å; T470-Y474 PolarHBondContact O-N 3.22Å |
| 471 | F | 92.5 | Very high | 91.8 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.4 | -37.4 | 178.8 | -68.3 | 8.5 | 0 | 0 | 0 | 111.3 | E411 L415 F467 P468 L473 Y474 T475 | E411-F471 HydrophobicContact CB-CE2 4.28Å; E411-F471 HydrophobicContact CG-CD2 4.33Å; E411-F471 HydrophobicContact CG-CE2 3.95Å; L415-F471 HydrophobicContact CD1-CD1 3.75Å; L415-F471 HydrophobicContact CD1-CD2 4.09Å; L415-F471 HydrophobicContact CD1-CE1 3.76Å; L415-F471 HydrophobicContact CD1-CE2 4.09Å; L415-F471 HydrophobicContact CD1-CG 3.93Å; L415-F471 HydrophobicContact CD1-CZ 3.93Å; L415-F471 HydrophobicContact CD2-CB 4.33Å; L415-F471 HydrophobicContact CD2-CG 4.38Å; F467-F471 HydrophobicContact CB-CB 4.21Å; F467-F471 HydrophobicContact CD2-CB 4.34Å; F467-F471 HydrophobicContact CG-CB 4.36Å; P468-F471 HydrophobicContact CG-CB 3.94Å; P468-F471 HydrophobicContact CG-CD1 3.9Å; P468-F471 HydrophobicContact CG-CD2 3.62Å; P468-F471 HydrophobicContact CG-CE1 4.28Å; P468-F471 HydrophobicContact CG-CE2 4.04Å; P468-F471 HydrophobicContact CG-CG 3.54Å; P468-F471 HydrophobicContact CG-CZ 4.35Å; P468-F471 PolarHBondContact O-N 3.4Å; P468-F471 VanDerWaalsContact O-N 3.1Å; F471-L473 VanDerWaalsContact C-N 3.29Å; F471-L473 PolarHBondContact O-N 2.88Å; F471-Y474 HydrophobicContact CD1-CD2 4.28Å; F471-Y474 HydrophobicContact CD1-CE2 4.21Å; F471-Y474 PolarHBondContact O-N 2.83Å; F471-T475 WeakPolarHBondContact O-CB 3Å; F471-T475 WeakPolarHBondContact O-CG2 3.13Å; F471-T475 PolarHBondContact O-N 3.28Å; F471-T475 PolarHBondContact O-OG1 3.48Å |
| 472 | T | 93.3 | Very high | 91.4 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 13% | 0.129 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 172.6 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | L459 P468 L469 T470 T475 V476 | L459-T472 HydrophobicContact CD2-CG2 3.69Å; P468-T472 PolarHBondContact O-N 3.41Å; P468-T472 PolarHBondContact O-OG1 3.16Å; L469-T472 PolarHBondContact O-N 3.28Å; T470-T472 VanDerWaalsContact C-N 3.34Å; T470-T472 PolarHBondContact O-N 3.41Å; T472-T475 WeakPolarHBondContact CA-OG1 3.37Å; T472-T475 PolarHBondContact O-N 3.14Å; T472-T475 PolarHBondContact O-OG1 3.45Å; T472-V476 HydrophobicContact CG2-CG2 4.3Å; T472-V476 WeakPolarHBondContact O-CB 3.28Å; T472-V476 VanDerWaalsContact O-CG2 3.25Å; T472-V476 WeakPolarHBondContact O-CG2 3.4Å; T472-V476 PolarHBondContact O-N 2.85Å |
| 473 | L | 93 | Very high | 90.9 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -48.5 | 175.9 | -177.2 | 66.2 | 0 | 0 | 0 | 111.5 | I16 L469 T470 F471 T475 V476 M477 | I16-L473 HydrophobicContact CD1-CD2 4.3Å; I16-L473 HydrophobicContact CG1-CD2 4.36Å; I16-L473 HydrophobicContact CG2-CD2 3.94Å; I16-L473 HydrophobicContact CG2-CG 4.25Å; L469-L473 WeakPolarHBondContact O-CB 3.16Å; L469-L473 PolarHBondContact O-N 3.36Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 2.94Å; F471-L473 VanDerWaalsContact C-N 3.29Å; F471-L473 PolarHBondContact O-N 2.88Å; L473-T475 VanDerWaalsContact C-N 3.34Å; L473-T475 PolarHBondContact O-N 3.25Å; L473-V476 PolarHBondContact O-N 3.3Å; L473-M477 HydrophobicContact CD1-CE 3.65Å; L473-M477 HydrophobicContact CD1-CG 4.44Å; L473-M477 HydrophobicContact CG-CE 4.48Å; L473-M477 WeakPolarHBondContact O-CB 3.49Å; L473-M477 WeakPolarHBondContact O-CG 3.29Å; L473-M477 PolarHBondContact O-N 3.41Å |
| 474 | Y | 94.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -34.9 | -177.9 | -51 | -30.1 | 0 | 0 | 0 | 113 | I16 Y19 A20 D23 L415 C418 T470 F471 P478 | I16-Y474 HydrophobicContact CG2-CD1 4.4Å; I16-Y474 HydrophobicContact CG2-CE1 4.39Å; Y19-Y474 WeakPolarHBondContact CD1-OH 3.34Å; Y19-Y474 WeakPolarHBondContact CE1-OH 3.47Å; A20-Y474 HydrophobicContact CB-CD1 3.65Å; A20-Y474 HydrophobicContact CB-CD2 4.36Å; A20-Y474 HydrophobicContact CB-CE1 3.42Å; A20-Y474 VanDerWaalsContact CB-CE1 3.42Å; A20-Y474 HydrophobicContact CB-CE2 4.17Å; A20-Y474 HydrophobicContact CB-CG 4.14Å; D23-Y474 HydrophobicContact CB-CE2 4.25Å; D23-Y474 WeakPolarHBondContact CB-OH 3.44Å; D23-Y474 PolarHBondContact OD2-OH 3.37Å; L415-Y474 HydrophobicContact CD2-CD2 4.33Å; C418-Y474 WeakPolarHBondContact CB-O 3.44Å; T470-Y474 WeakPolarHBondContact O-CD1 3.34Å; T470-Y474 WeakPolarHBondContact O-CD2 3.48Å; T470-Y474 WeakPolarHBondContact O-CE2 3.35Å; T470-Y474 PolarHBondContact O-N 3.22Å; F471-Y474 HydrophobicContact CD1-CD2 4.28Å; F471-Y474 HydrophobicContact CD1-CE2 4.21Å; F471-Y474 PolarHBondContact O-N 2.83Å; Y474-P478 WeakPolarHBondContact O-CD 3.02Å |
| 475 | T | 93.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -77.8 | -31.5 | -179.6 | 50.5 | 0 | 0 | 0 | 0 | 113 | L415 S462 F467 F471 T472 L473 F479 | L415-T475 HydrophobicContact CD2-CG2 4.08Å; S462-T475 PolarHBondContact OG-OG1 2.85Å; F467-T475 HydrophobicContact CE2-CG2 4.47Å; F471-T475 WeakPolarHBondContact O-CB 3Å; F471-T475 WeakPolarHBondContact O-CG2 3.13Å; F471-T475 PolarHBondContact O-N 3.28Å; F471-T475 PolarHBondContact O-OG1 3.48Å; T472-T475 WeakPolarHBondContact CA-OG1 3.37Å; T472-T475 PolarHBondContact O-N 3.14Å; T472-T475 PolarHBondContact O-OG1 3.45Å; L473-T475 VanDerWaalsContact C-N 3.34Å; L473-T475 PolarHBondContact O-N 3.25Å; T475-F479 VanDerWaalsContact O-CD2 3.29Å; T475-F479 WeakPolarHBondContact O-CD2 3.46Å; T475-F479 WeakPolarHBondContact O-CE2 3.38Å |
| 476 | V | 93.1 | Very high | 88.6 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.6 | -33.4 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | I455 V458 L459 T472 L473 F479 Y480 | I455-V476 HydrophobicContact CG2-CG1 4.15Å; V458-V476 HydrophobicContact CB-CG2 4.47Å; V458-V476 HydrophobicContact CG1-CG2 3.8Å; L459-V476 HydrophobicContact CD2-CG2 3.67Å; L459-V476 HydrophobicContact CG-CG2 4.01Å; T472-V476 HydrophobicContact CG2-CG2 4.3Å; T472-V476 WeakPolarHBondContact O-CB 3.28Å; T472-V476 VanDerWaalsContact O-CG2 3.25Å; T472-V476 WeakPolarHBondContact O-CG2 3.4Å; T472-V476 PolarHBondContact O-N 2.85Å; L473-V476 PolarHBondContact O-N 3.3Å; V476-F479 PolarHBondContact O-N 3.3Å; V476-Y480 PolarHBondContact O-N 3.44Å |
| 477 | M | 91.8 | Very high | 87.3 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -49.3 | -47.3 | -176.7 | -87.8 | -71.1 | 156 | 0 | 0 | 114.9 | I16 L473 F479 Y480 L481 | I16-M477 HydrophobicContact CD1-CE 3.63Å; I16-M477 HydrophobicContact CG2-CG 4.48Å; L473-M477 HydrophobicContact CD1-CE 3.65Å; L473-M477 HydrophobicContact CD1-CG 4.44Å; L473-M477 HydrophobicContact CG-CE 4.48Å; L473-M477 WeakPolarHBondContact O-CB 3.49Å; L473-M477 WeakPolarHBondContact O-CG 3.29Å; L473-M477 PolarHBondContact O-N 3.41Å; M477-F479 VanDerWaalsContact C-N 3.31Å; M477-F479 PolarHBondContact O-N 3.27Å; M477-Y480 PolarHBondContact O-N 3.17Å; M477-L481 WeakPolarHBondContact O-CB 2.97Å; M477-L481 WeakPolarHBondContact O-CG 3.32Å; M477-L481 PolarHBondContact O-N 3.32Å |
| 478 | P | 92.8 | Very high | 85.9 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.2 | -47.4 | 176.3 | -29.2 | 35.1 | 0 | 0 | 0 | 113 | C418 V421 S422 Y474 L481 F482 | C418-P478 HydrophobicContact CB-CG 4.14Å; C418-P478 WeakPolarHBondContact O-CG 3.34Å; V421-P478 HydrophobicContact CB-CB 4.39Å; V421-P478 HydrophobicContact CB-CG 4.49Å; V421-P478 HydrophobicContact CG1-CB 3.87Å; V421-P478 HydrophobicContact CG1-CG 4.48Å; S422-P478 WeakPolarHBondContact OG-CD 3.44Å; S422-P478 VanDerWaalsContact OG-CG 3.25Å; S422-P478 WeakPolarHBondContact OG-CG 3.48Å; Y474-P478 WeakPolarHBondContact O-CD 3.02Å; P478-L481 PolarHBondContact O-N 3.42Å; P478-F482 WeakPolarHBondContact O-CB 3.48Å; P478-F482 WeakPolarHBondContact O-CD2 3.16Å; P478-F482 PolarHBondContact O-N 3.11Å |
| 479 | F | 90.4 | Very high | 84.6 | Confident | 86 Ų | 86 | 41.9 Ų | 41.9 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.3 | -40.6 | -175.6 | -61.9 | -82.9 | 0 | 0 | 0 | 111.5 | V454 I455 V458 T475 V476 M477 F482 L483 | V454-F479 HydrophobicContact CG1-CD1 3.51Å; V454-F479 HydrophobicContact CG1-CE1 3.91Å; V454-F479 HydrophobicContact CG1-CG 4.24Å; I455-F479 HydrophobicContact CG1-CB 4.21Å; V458-F479 HydrophobicContact CG1-CD2 4.36Å; V458-F479 HydrophobicContact CG1-CE2 4.31Å; V458-F479 HydrophobicContact CG2-CD2 3.73Å; V458-F479 HydrophobicContact CG2-CE1 4.39Å; V458-F479 HydrophobicContact CG2-CE2 3.55Å; V458-F479 HydrophobicContact CG2-CG 4.23Å; V458-F479 HydrophobicContact CG2-CZ 3.9Å; T475-F479 VanDerWaalsContact O-CD2 3.29Å; T475-F479 WeakPolarHBondContact O-CD2 3.46Å; T475-F479 WeakPolarHBondContact O-CE2 3.38Å; V476-F479 PolarHBondContact O-N 3.3Å; M477-F479 VanDerWaalsContact C-N 3.31Å; M477-F479 PolarHBondContact O-N 3.27Å; F479-F482 PolarHBondContact O-N 3.07Å; F479-L483 VanDerWaalsContact O-CB 3.26Å; F479-L483 WeakPolarHBondContact O-CB 3.38Å; F479-L483 PolarHBondContact O-N 2.85Å |
| 480 | Y | 87.8 | Confident | 83.3 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.3 | 175 | -106.3 | 0 | 0 | 0 | 111.8 | L442 L444 V476 M477 L483 A484 | L442-Y480 WeakPolarHBondContact CB-OH 3.17Å; L442-Y480 HydrophobicContact CD2-CE1 4.26Å; L444-Y480 HydrophobicContact CD2-CE2 4.46Å; V476-Y480 PolarHBondContact O-N 3.44Å; M477-Y480 PolarHBondContact O-N 3.17Å; Y480-L483 WeakPolarHBondContact O-CB 3.36Å; Y480-L483 PolarHBondContact O-N 2.86Å; Y480-A484 PolarHBondContact O-N 2.92Å; Y480-A484 VanDerWaalsContact O-N 3.12Å |
| 481 | L | 88.1 | Confident | 81.6 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.2 | -39.3 | 178.5 | -67.4 | 175.5 | 0 | 0 | 0 | 112.1 | V13 A425 W426 C429 M477 P478 L483 A484 A485 | V13-L481 HydrophobicContact CG1-CD1 4.44Å; V13-L481 HydrophobicContact CG2-CD2 4.28Å; A425-L481 HydrophobicContact CB-CB 3.59Å; W426-L481 HydrophobicContact CB-CD1 4.18Å; W426-L481 HydrophobicContact CE3-CD2 4.05Å; C429-L481 PolarHBondContact SG-O 2.87Å; M477-L481 WeakPolarHBondContact O-CB 2.97Å; M477-L481 WeakPolarHBondContact O-CG 3.32Å; M477-L481 PolarHBondContact O-N 3.32Å; P478-L481 PolarHBondContact O-N 3.42Å; L481-L483 VanDerWaalsContact C-N 3.3Å; L481-L483 PolarHBondContact O-N 3.38Å; L481-A484 PolarHBondContact O-N 3.05Å; L481-A485 WeakPolarHBondContact O-CB 3.36Å; L481-A485 PolarHBondContact O-N 3.32Å |
| 482 | F | 85.8 | Confident | 80 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 37% | 0.368 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64 | -35.6 | 174.4 | -93.1 | -62.3 | 0 | 0 | 0 | 112.7 | V421 A425 L428 P478 F479 A485 N486 | V421-F482 HydrophobicContact CG1-CD2 4.37Å; V421-F482 HydrophobicContact CG1-CE2 3.51Å; V421-F482 HydrophobicContact CG1-CZ 4.35Å; A425-F482 HydrophobicContact CB-CD1 4.24Å; A425-F482 HydrophobicContact CB-CD2 3.75Å; A425-F482 HydrophobicContact CB-CE1 4.36Å; A425-F482 HydrophobicContact CB-CE2 3.89Å; A425-F482 HydrophobicContact CB-CG 3.93Å; A425-F482 HydrophobicContact CB-CZ 4.18Å; L428-F482 HydrophobicContact CD1-CD1 4.21Å; L428-F482 HydrophobicContact CD1-CE1 3.47Å; L428-F482 VanDerWaalsContact CD1-CE1 3.47Å; L428-F482 HydrophobicContact CD1-CZ 4.27Å; P478-F482 WeakPolarHBondContact O-CB 3.48Å; P478-F482 WeakPolarHBondContact O-CD2 3.16Å; P478-F482 PolarHBondContact O-N 3.11Å; F479-F482 PolarHBondContact O-N 3.07Å; F482-A485 CarbonylContact O-C 3.45Å; F482-A485 PolarHBondContact O-N 3.29Å; F482-N486 VanDerWaalsContact O-CB 3.26Å; F482-N486 WeakPolarHBondContact O-CB 3.41Å; F482-N486 PolarHBondContact O-N 3.44Å |
| 483 | L | 81.4 | Confident | 78.3 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 174 | 177.7 | 48.4 | 0 | 0 | 0 | 110.7 | L444 C447 E451 I455 F479 Y480 L481 A485 N486 L487 | L444-L483 HydrophobicContact CD2-CD2 3.68Å; C447-L483 HydrophobicContact CB-CD1 4.09Å; C447-L483 HydrophobicContact CB-CD2 4.03Å; C447-L483 HydrophobicContact CB-CG 4.42Å; C447-L483 VanDerWaalsContact SG-CD1 3.6Å; C447-L483 WeakPolarHBondContact SG-CD2 3.38Å; C447-L483 WeakPolarHBondContact SG-CG 3.39Å; E451-L483 HydrophobicContact CB-CD1 3.46Å; E451-L483 VanDerWaalsContact CB-CD1 3.46Å; E451-L483 HydrophobicContact CB-CD2 4.09Å; E451-L483 HydrophobicContact CB-CG 4.37Å; E451-L483 HydrophobicContact CG-CD1 3.67Å; E451-L483 WeakPolarHBondContact OE2-CD1 3.43Å; I455-L483 HydrophobicContact CD1-CD2 3.56Å; F479-L483 VanDerWaalsContact O-CB 3.26Å; F479-L483 WeakPolarHBondContact O-CB 3.38Å; F479-L483 PolarHBondContact O-N 2.85Å; Y480-L483 WeakPolarHBondContact O-CB 3.36Å; Y480-L483 PolarHBondContact O-N 2.86Å; L481-L483 VanDerWaalsContact C-N 3.3Å; L481-L483 PolarHBondContact O-N 3.38Å; L483-A485 PolarHBondContact O-N 3.44Å; L483-N486 PolarHBondContact O-N 2.92Å; L483-L487 VanDerWaalsContact O-CG 3.31Å; L483-L487 WeakPolarHBondContact O-CG 3.22Å; L483-L487 PolarHBondContact O-N 3.29Å |
| 484 | A | 77.2 | Confident | 76.3 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -36.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L440 L442 Y480 L481 | L440-A484 HydrophobicContact CD1-CB 4.36Å; L442-A484 HydrophobicContact CD2-CB 4.07Å; Y480-A484 PolarHBondContact O-N 2.92Å; Y480-A484 VanDerWaalsContact O-N 3.12Å; L481-A484 PolarHBondContact O-N 3.05Å |
| 485 | A | 76.7 | Confident | 74.4 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.7 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L428 L481 F482 L483 R488 W489 | L428-A485 HydrophobicContact CB-CB 4Å; L481-A485 WeakPolarHBondContact O-CB 3.36Å; L481-A485 PolarHBondContact O-N 3.32Å; F482-A485 CarbonylContact O-C 3.45Å; F482-A485 PolarHBondContact O-N 3.29Å; L483-A485 PolarHBondContact O-N 3.44Å; A485-R488 CarbonylContact O-C 3.6Å; A485-R488 VanDerWaalsContact O-CA 3.32Å; A485-R488 WeakPolarHBondContact O-CA 3.35Å; A485-R488 WeakPolarHBondContact O-CB 3.46Å; A485-R488 PolarHBondContact O-N 2.82Å; A485-W489 PolarHBondContact O-N 3.47Å |
| 486 | N | 71.7 | Confident | 72.4 | Confident | 58 Ų | 58 | 58 Ų | 58 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | -175 | -173.8 | 30.8 | 0 | 0 | 0 | 112.3 | E451 F482 L483 R488 W489 K490 | E451-N486 PolarHBondContact OE1-ND2 2.99Å; F482-N486 VanDerWaalsContact O-CB 3.26Å; F482-N486 WeakPolarHBondContact O-CB 3.41Å; F482-N486 PolarHBondContact O-N 3.44Å; L483-N486 PolarHBondContact O-N 2.92Å; N486-R488 PolarHBondContact O-N 3.35Å; N486-W489 PolarHBondContact O-N 3.04Å; N486-W489 VanDerWaalsContact O-N 3.11Å; N486-K490 PolarHBondContact O-N 2.97Å |
| 487 | L | 63.8 | Low | 70.5 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -50.6 | -25.8 | 168.2 | -70 | 171.8 | 0 | 0 | 0 | 111.4 | H446 L483 | H446-L487 HydrophobicContact CB-CD1 4.21Å; H446-L487 HydrophobicContact CB-CD2 3.91Å; H446-L487 WeakPolarHBondContact O-CD2 3.27Å; L483-L487 VanDerWaalsContact O-CG 3.31Å; L483-L487 WeakPolarHBondContact O-CG 3.22Å; L483-L487 PolarHBondContact O-N 3.29Å |
| 488 | R | 63.8 | Low | 68.6 | Low | 22 Ų | 22 | 64.5 Ų | 64.5 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -102.6 | -30.9 | 176.4 | -51.9 | -179.1 | 171 | -117.2 | -39.8 | 114.5 | S432 E438 S439 A485 N486 K490 N491 | S432-R488 VanDerWaalsContact CB-CB 3.43Å; S432-R488 VanDerWaalsContact CB-CD 3.46Å; E438-R488 PolarHBondContact O-NH1 3.06Å; S439-R488 PolarHBondContact O-NH2 2.85Å; A485-R488 CarbonylContact O-C 3.6Å; A485-R488 VanDerWaalsContact O-CA 3.32Å; A485-R488 WeakPolarHBondContact O-CA 3.35Å; A485-R488 WeakPolarHBondContact O-CB 3.46Å; A485-R488 PolarHBondContact O-N 2.82Å; N486-R488 PolarHBondContact O-N 3.35Å; R488-K490 VanDerWaalsContact C-N 3.27Å; R488-K490 PolarHBondContact O-N 3.28Å; R488-N491 WeakPolarHBondContact O-CB 3.27Å; R488-N491 PolarHBondContact O-N 3.44Å; R488-N491 PolarHBondContact O-ND2 3.29Å |
| 489 | W | 63.3 | Low | 67.2 | Low | 107 Ų | 107 | 73.6 Ų | 73.6 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -34.5 | -178.4 | -180 | -95.5 | 0 | 0 | 0 | 113.3 | L428 A485 N486 N491 L492 F496 | L428-W489 HydrophobicContact CD2-CZ3 4.23Å; A485-W489 PolarHBondContact O-N 3.47Å; N486-W489 PolarHBondContact O-N 3.04Å; N486-W489 VanDerWaalsContact O-N 3.11Å; W489-N491 PolarHBondContact O-N 3.37Å; W489-L492 HydrophobicContact CD2-CD1 4.47Å; W489-L492 HydrophobicContact CE3-CB 4.33Å; W489-L492 HydrophobicContact CE3-CD1 3.7Å; W489-L492 HydrophobicContact CZ3-CD1 4.19Å; W489-L492 WeakPolarHBondContact O-CB 3.46Å; W489-L492 PolarHBondContact O-N 3.24Å; W489-F496 HydrophobicContact CH2-CE2 4.21Å; W489-F496 HydrophobicContact CH2-CZ 4.36Å; W489-F496 HydrophobicContact CZ2-CE2 4.08Å; W489-F496 HydrophobicContact CZ2-CZ 4.45Å |
| 490 | K | 62.7 | Low | 65.6 | Low | 122 Ų | 122 | 74.5 Ų | 74.5 | 53% | 0.53 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -20.9 | 173.5 | -69.7 | 178.5 | -176.4 | 168.4 | 0 | 112.7 | N486 R488 | N486-K490 PolarHBondContact O-N 2.97Å; R488-K490 VanDerWaalsContact C-N 3.27Å; R488-K490 PolarHBondContact O-N 3.28Å |
| 491 | N | 57.4 | Low | 64.5 | Low | 70 Ų | 70 | 76.5 Ų | 76.5 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -8.5 | 178.4 | -55.3 | -50.6 | 0 | 0 | 0 | 115.4 | K436 R488 W489 | K436-N491 HydrophobicContact CD-CB 3.55Å; K436-N491 VanDerWaalsContact CE-CB 3.41Å; K436-N491 VanDerWaalsContact CE-CG 3.49Å; K436-N491 HydrophobicContact CG-CB 4.47Å; K436-N491 PolarHBondContact NZ-ND2 2.88Å; K436-N491 PolarHBondContact NZ-OD1 2.85Å; R488-N491 WeakPolarHBondContact O-CB 3.27Å; R488-N491 PolarHBondContact O-N 3.44Å; R488-N491 PolarHBondContact O-ND2 3.29Å; W489-N491 PolarHBondContact O-N 3.37Å |
| 492 | L | 58.9 | Low | 63.7 | Low | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | trans | -97.9 | 5 | -169.4 | -72.3 | 177.6 | 0 | 0 | 0 | 114.7 | F431 S432 V435 W489 G494 I495 | F431-L492 HydrophobicContact CD1-CD1 3.93Å; F431-L492 HydrophobicContact CD1-CD2 4.49Å; F431-L492 HydrophobicContact CE1-CD1 4.03Å; F431-L492 HydrophobicContact CE1-CD2 4.11Å; S432-L492 WeakPolarHBondContact OG-CD1 3.17Å; V435-L492 HydrophobicContact CB-CD2 3.56Å; V435-L492 HydrophobicContact CG1-CD2 3.63Å; V435-L492 HydrophobicContact CG2-CD2 3.6Å; W489-L492 HydrophobicContact CD2-CD1 4.47Å; W489-L492 HydrophobicContact CE3-CB 4.33Å; W489-L492 HydrophobicContact CE3-CD1 3.7Å; W489-L492 HydrophobicContact CZ3-CD1 4.19Å; W489-L492 WeakPolarHBondContact O-CB 3.46Å; W489-L492 PolarHBondContact O-N 3.24Å; L492-G494 PolarHBondContact O-N 2.73Å; L492-I495 HydrophobicContact CB-CD1 4Å; L492-I495 HydrophobicContact CD2-CD1 3.65Å; L492-I495 HydrophobicContact CG-CD1 4.29Å; L492-I495 PolarHBondContact O-N 3.28Å | ||
| 493 | K | 56.2 | Low | 63.1 | Low | 177 Ų | 177 | 81.1 Ų | 81.1 | 77% | 0.77 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -55.2 | -16.1 | -175 | -73.3 | -173.4 | 176.8 | -178.3 | 0 | 115.1 | ||
| 494 | G | 52.7 | Low | 62.9 | Low | 67 Ų | 67 | 83.4 Ų | 83.4 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -77.5 | -9.9 | 179 | 0 | 0 | 0 | 0 | 0 | 116.8 | L492 F496 | L492-G494 PolarHBondContact O-N 2.73Å; G494-F496 PolarHBondContact O-N 2.91Å |
| 495 | I | 54.3 | Low | 62.9 | Low | 73 Ų | 73 | 85.6 Ų | 85.6 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -76 | -24.8 | -171.8 | -72 | 154.4 | 0 | 0 | 0 | 113.7 | F431 V435 L492 S497 | F431-I495 HydrophobicContact CE1-CD1 3.25Å; F431-I495 HydrophobicContact CZ-CD1 3.41Å; F431-I495 VanDerWaalsContact CZ-CD1 3.41Å; F431-I495 HydrophobicContact CZ-CG1 4.32Å; V435-I495 HydrophobicContact CG2-CD1 4.39Å; L492-I495 HydrophobicContact CB-CD1 4Å; L492-I495 HydrophobicContact CD2-CD1 3.65Å; L492-I495 HydrophobicContact CG-CD1 4.29Å; L492-I495 PolarHBondContact O-N 3.28Å; I495-S497 PolarHBondContact O-N 3.27Å; I495-S497 VanDerWaalsContact O-N 3.11Å |
| 496 | F | 50.7 | Low | 63.1 | Low | 161 Ų | 161 | 89 Ų | 89 | 71% | 0.706 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -74.7 | -0 | -173.3 | -72.9 | -78.3 | 0 | 0 | 0 | 115 | W489 G494 C498 | W489-F496 HydrophobicContact CH2-CE2 4.21Å; W489-F496 HydrophobicContact CH2-CZ 4.36Å; W489-F496 HydrophobicContact CZ2-CE2 4.08Å; W489-F496 HydrophobicContact CZ2-CZ 4.45Å; G494-F496 PolarHBondContact O-N 2.91Å; F496-C498 VanDerWaalsContact C-N 3.28Å; F496-C498 PolarHBondContact O-N 2.77Å |
| 497 | S | 54 | Low | 63.7 | Low | 108 Ų | 108 | 89.1 Ų | 89.1 | 76% | 0.755 | 49% | 0.489 | S | S | * | . | trans | -81.5 | 69.2 | 170.2 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | I495 | I495-S497 PolarHBondContact O-N 3.27Å; I495-S497 VanDerWaalsContact O-N 3.11Å | ||
| 498 | C | 51.9 | Low | 64.7 | Low | 81 Ų | 81 | 91.1 Ų | 91.1 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | trans | -90.7 | 129.5 | -172.8 | -159.5 | 0 | 0 | 0 | 0 | 112.4 | F496 L502 | F496-C498 VanDerWaalsContact C-N 3.28Å; F496-C498 PolarHBondContact O-N 2.77Å; C498-L502 VanDerWaalsContact SG-CD2 3.54Å | ||
| 499 | R | 61.7 | Low | 65.8 | Low | 198 Ų | 198 | 91.3 Ų | 91.3 | 75% | 0.747 | 51% | 0.506 | S | S | * | . | trans | -90.7 | 152 | 173.7 | -68.6 | -177.2 | 175.4 | 174 | -1.3 | 110.6 | T501 L502 | R499-T501 PolarHBondContact O-N 3.3Å; R499-T501 VanDerWaalsContact O-N 3.15Å; R499-L502 WeakPolarHBondContact O-CB 3.38Å; R499-L502 PolarHBondContact O-N 3.43Å | ||
| 500 | S | 57.8 | Low | 67 | Low | 104 Ų | 104 | 89.5 Ų | 89.5 | 73% | 0.727 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.7 | -30.1 | -179.4 | 77.3 | 0 | 0 | 0 | 0 | 113.9 | L502 L503 A504 | S500-L502 VanDerWaalsContact C-N 3.26Å; S500-L502 PolarHBondContact O-N 3.41Å; S500-L503 WeakPolarHBondContact O-CB 3.48Å; S500-L503 PolarHBondContact O-N 3.28Å; S500-A504 PolarHBondContact O-N 3.29Å |
| 501 | T | 64.6 | Low | 68.3 | Low | 99 Ų | 99 | 87.4 Ų | 87.4 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -32.4 | 175.2 | 55 | 0 | 0 | 0 | 0 | 112.6 | R499 S505 | R499-T501 PolarHBondContact O-N 3.3Å; R499-T501 VanDerWaalsContact O-N 3.15Å; T501-S505 PolarHBondContact O-N 3.24Å; T501-S505 PolarHBondContact O-OG 2.85Å |
| 502 | L | 70.4 | Confident | 69.9 | Low | 68 Ų | 68 | 84.5 Ų | 84.5 | 36% | 0.356 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.5 | -34.8 | 177.6 | -174.5 | 59.1 | 0 | 0 | 0 | 110.9 | C498 R499 S500 A504 S505 V506 | C498-L502 VanDerWaalsContact SG-CD2 3.54Å; R499-L502 WeakPolarHBondContact O-CB 3.38Å; R499-L502 PolarHBondContact O-N 3.43Å; S500-L502 VanDerWaalsContact C-N 3.26Å; S500-L502 PolarHBondContact O-N 3.41Å; L502-A504 PolarHBondContact O-N 3.12Å; L502-S505 PolarHBondContact O-N 3.42Å; L502-V506 HydrophobicContact CD1-CG2 4.39Å; L502-V506 HydrophobicContact CG-CG2 4.38Å; L502-V506 WeakPolarHBondContact O-CB 3.3Å; L502-V506 VanDerWaalsContact O-CG2 3.26Å; L502-V506 WeakPolarHBondContact O-CG2 3.37Å; L502-V506 PolarHBondContact O-N 2.98Å |
| 503 | L | 74.3 | Confident | 71.4 | Confident | 116 Ų | 116 | 85.4 Ų | 85.4 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.2 | -47.1 | 176 | -168.2 | 74.8 | 0 | 0 | 0 | 111.1 | S500 S505 V506 S507 | S500-L503 WeakPolarHBondContact O-CB 3.48Å; S500-L503 PolarHBondContact O-N 3.28Å; L503-S505 PolarHBondContact O-N 3.26Å; L503-V506 PolarHBondContact O-N 3.07Å; L503-S507 PolarHBondContact O-N 2.95Å; L503-S507 PolarHBondContact O-OG 3.25Å; L503-S507 VanDerWaalsContact O-OG 3.09Å |
| 504 | A | 77.7 | Confident | 73.1 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S500 L502 S507 L508 | S500-A504 PolarHBondContact O-N 3.29Å; L502-A504 PolarHBondContact O-N 3.12Å; A504-S507 PolarHBondContact O-N 2.97Å; A504-L508 WeakPolarHBondContact O-CG 3.32Å; A504-L508 PolarHBondContact O-N 3.18Å |
| 505 | S | 76.5 | Confident | 75 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | T501 L502 L503 L508 A509 | T501-S505 PolarHBondContact O-N 3.24Å; T501-S505 PolarHBondContact O-OG 2.85Å; L502-S505 PolarHBondContact O-N 3.42Å; L503-S505 PolarHBondContact O-N 3.26Å; S505-L508 PolarHBondContact O-N 3.09Å; S505-A509 WeakPolarHBondContact O-CB 3.25Å; S505-A509 PolarHBondContact O-N 3Å |
| 506 | V | 81.6 | Confident | 76.7 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 176 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L502 L503 L508 A509 V510 | L502-V506 HydrophobicContact CD1-CG2 4.39Å; L502-V506 HydrophobicContact CG-CG2 4.38Å; L502-V506 WeakPolarHBondContact O-CB 3.3Å; L502-V506 VanDerWaalsContact O-CG2 3.26Å; L502-V506 WeakPolarHBondContact O-CG2 3.37Å; L502-V506 PolarHBondContact O-N 2.98Å; L503-V506 PolarHBondContact O-N 3.07Å; V506-L508 VanDerWaalsContact C-N 3.35Å; V506-L508 PolarHBondContact O-N 2.64Å; V506-A509 WeakPolarHBondContact O-CB 3.32Å; V506-A509 PolarHBondContact O-N 2.79Å; V506-V510 HydrophobicContact CG1-CG2 4.43Å; V506-V510 WeakPolarHBondContact O-CG2 3.41Å; V506-V510 PolarHBondContact O-N 3.49Å |
| 507 | S | 83.6 | Confident | 78.6 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | L503 A504 V510 I511 | L503-S507 PolarHBondContact O-N 2.95Å; L503-S507 PolarHBondContact O-OG 3.25Å; L503-S507 VanDerWaalsContact O-OG 3.09Å; A504-S507 PolarHBondContact O-N 2.97Å; S507-V510 PolarHBondContact O-N 2.97Å; S507-I511 WeakPolarHBondContact O-CG1 3.26Å; S507-I511 PolarHBondContact O-N 2.98Å |
| 508 | L | 85.6 | Confident | 80.3 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 175 | -75.8 | 168.8 | 0 | 0 | 0 | 112.1 | A504 S505 V506 I511 F512 L532 | A504-L508 WeakPolarHBondContact O-CG 3.32Å; A504-L508 PolarHBondContact O-N 3.18Å; S505-L508 PolarHBondContact O-N 3.09Å; V506-L508 VanDerWaalsContact C-N 3.35Å; V506-L508 PolarHBondContact O-N 2.64Å; L508-I511 PolarHBondContact O-N 2.72Å; L508-F512 VanDerWaalsContact O-CB 3.32Å; L508-F512 WeakPolarHBondContact O-CB 3.49Å; L508-F512 PolarHBondContact O-N 2.64Å; L508-L532 HydrophobicContact CD2-CD2 4.01Å |
| 509 | A | 85.4 | Confident | 81.9 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 21% | 0.207 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S505 V506 F512 I513 L726 | S505-A509 WeakPolarHBondContact O-CB 3.25Å; S505-A509 PolarHBondContact O-N 3Å; V506-A509 WeakPolarHBondContact O-CB 3.32Å; V506-A509 PolarHBondContact O-N 2.79Å; A509-F512 WeakPolarHBondContact O-CB 3.47Å; A509-F512 PolarHBondContact O-N 3.27Å; A509-I513 VanDerWaalsContact O-CG1 3.28Å; A509-I513 WeakPolarHBondContact O-CG1 3.49Å; A509-I513 PolarHBondContact O-N 3.08Å; A509-L726 HydrophobicContact CB-CD1 3.64Å |
| 510 | V | 88.7 | Confident | 83 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 42% | 0.418 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 110 | V506 S507 F512 I513 E514 | V506-V510 HydrophobicContact CG1-CG2 4.43Å; V506-V510 WeakPolarHBondContact O-CG2 3.41Å; V506-V510 PolarHBondContact O-N 3.49Å; S507-V510 PolarHBondContact O-N 2.97Å; V510-F512 PolarHBondContact O-N 3.06Å; V510-I513 PolarHBondContact O-N 2.93Å; V510-I513 VanDerWaalsContact O-N 3.13Å; V510-E514 HydrophobicContact CG1-CG 4.18Å; V510-E514 WeakPolarHBondContact O-CG 3.39Å; V510-E514 PolarHBondContact O-N 3.03Å |
| 511 | I | 90 | Very high | 84.2 | Confident | 79 Ų | 79 | 50.7 Ų | 50.7 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54.6 | -45.1 | 176.5 | -67.7 | 165.3 | 0 | 0 | 0 | 110.5 | S507 L508 I513 E514 M515 | S507-I511 WeakPolarHBondContact O-CG1 3.26Å; S507-I511 PolarHBondContact O-N 2.98Å; L508-I511 PolarHBondContact O-N 2.72Å; I511-I513 PolarHBondContact O-N 3.36Å; I511-E514 PolarHBondContact O-N 3.17Å; I511-M515 HydrophobicContact CG2-CE 4.47Å; I511-M515 HydrophobicContact CG2-CG 4.35Å; I511-M515 VanDerWaalsContact O-CG 3.25Å; I511-M515 WeakPolarHBondContact O-CG 3.21Å; I511-M515 PolarHBondContact O-N 3.19Å |
| 512 | F | 90.7 | Very high | 85.1 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 179.2 | -161.9 | -86.3 | 0 | 0 | 0 | 112.2 | L508 A509 V510 M515 L516 C529 L532 M533 L726 F727 F730 | L508-F512 VanDerWaalsContact O-CB 3.32Å; L508-F512 WeakPolarHBondContact O-CB 3.49Å; L508-F512 PolarHBondContact O-N 2.64Å; A509-F512 WeakPolarHBondContact O-CB 3.47Å; A509-F512 PolarHBondContact O-N 3.27Å; V510-F512 PolarHBondContact O-N 3.06Å; F512-M515 PolarHBondContact O-N 2.96Å; F512-L516 HydrophobicContact CD1-CD1 3.86Å; F512-L516 HydrophobicContact CD1-CG 4.26Å; F512-L516 HydrophobicContact CE1-CD1 3.87Å; F512-L516 HydrophobicContact CE1-CG 4.33Å; F512-L516 WeakPolarHBondContact O-CG 3.31Å; F512-L516 PolarHBondContact O-N 3.29Å; F512-C529 HydrophobicContact CD2-CB 4.17Å; F512-C529 HydrophobicContact CE2-CB 3.65Å; F512-C529 HydrophobicContact CZ-CB 3.88Å; F512-L532 HydrophobicContact CD2-CB 4.43Å; F512-L532 HydrophobicContact CD2-CD1 3.9Å; F512-M533 HydrophobicContact CE2-CG 4.5Å; F512-L726 HydrophobicContact CD1-CB 4.24Å; F512-L726 HydrophobicContact CD1-CD2 4.27Å; F512-L726 HydrophobicContact CE1-CB 4.2Å; F512-L726 WeakPolarHBondContact CE1-O 3.13Å; F512-F727 HydrophobicContact CE2-CD1 4.34Å; F512-F727 HydrophobicContact CE2-CE1 4.29Å; F512-F727 HydrophobicContact CZ-CD1 4.09Å; F512-F727 HydrophobicContact CZ-CE1 4.5Å; F512-F730 HydrophobicContact CE1-CB 3.65Å; F512-F730 HydrophobicContact CZ-CB 3.48Å; F512-F730 VanDerWaalsContact CZ-CB 3.48Å; F512-F730 HydrophobicContact CZ-CD2 4.22Å; F512-F730 AromaticContact CZ-CG 4Å; F512-F730 HydrophobicContact CZ-CG 4Å |
| 513 | I | 90.4 | Very high | 85.4 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.5 | -66.4 | 165.1 | 0 | 0 | 0 | 111.1 | A509 V510 I511 M515 L516 V517 L726 T811 F814 | A509-I513 VanDerWaalsContact O-CG1 3.28Å; A509-I513 WeakPolarHBondContact O-CG1 3.49Å; A509-I513 PolarHBondContact O-N 3.08Å; V510-I513 PolarHBondContact O-N 2.93Å; V510-I513 VanDerWaalsContact O-N 3.13Å; I511-I513 PolarHBondContact O-N 3.36Å; I513-M515 VanDerWaalsContact C-N 3.31Å; I513-M515 PolarHBondContact O-N 2.9Å; I513-L516 WeakPolarHBondContact O-CB 3.46Å; I513-L516 PolarHBondContact O-N 3.48Å; I513-L516 VanDerWaalsContact O-N 3.09Å; I513-V517 PolarHBondContact O-N 3.37Å; I513-L726 HydrophobicContact CD1-CD2 4.1Å; I513-L726 HydrophobicContact CG1-CD2 3.84Å; I513-T811 HydrophobicContact CD1-CG2 3.96Å; I513-T811 HydrophobicContact CG1-CG2 4.1Å; I513-F814 HydrophobicContact CG2-CD1 3.52Å; I513-F814 HydrophobicContact CG2-CE1 3.94Å |
| 514 | E | 93.1 | Very high | 85.8 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.2 | -65.7 | -54.2 | 154.8 | 0 | 0 | 111.3 | V510 I511 L516 V517 L518 F814 Q818 | V510-E514 HydrophobicContact CG1-CG 4.18Å; V510-E514 WeakPolarHBondContact O-CG 3.39Å; V510-E514 PolarHBondContact O-N 3.03Å; I511-E514 PolarHBondContact O-N 3.17Å; E514-L516 VanDerWaalsContact C-N 3.31Å; E514-L516 PolarHBondContact O-N 3.43Å; E514-V517 WeakPolarHBondContact O-CB 3.35Å; E514-V517 PolarHBondContact O-N 3Å; E514-L518 WeakPolarHBondContact O-CB 3.46Å; E514-L518 WeakPolarHBondContact O-CG 3.19Å; E514-L518 PolarHBondContact O-N 3.36Å; E514-F814 VanDerWaalsContact OE1-CE1 3.29Å; E514-F814 WeakPolarHBondContact OE1-CE1 3.33Å; E514-Q818 VanDerWaalsContact CD-NE2 3.3Å; E514-Q818 PolarHBondContact OE1-NE2 3.43Å; E514-Q818 PolarHBondContact OE2-NE2 2.98Å; E514-Q818 PolarHBondContact OE2-OE1 3Å |
| 515 | M | 91.9 | Very high | 86.4 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 18% | 0.177 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 174.3 | -66.3 | -53.5 | 125.1 | 0 | 0 | 112.3 | I511 F512 I513 L518 T519 A525 I528 C529 | I511-M515 HydrophobicContact CG2-CE 4.47Å; I511-M515 HydrophobicContact CG2-CG 4.35Å; I511-M515 VanDerWaalsContact O-CG 3.25Å; I511-M515 WeakPolarHBondContact O-CG 3.21Å; I511-M515 PolarHBondContact O-N 3.19Å; F512-M515 PolarHBondContact O-N 2.96Å; I513-M515 VanDerWaalsContact C-N 3.31Å; I513-M515 PolarHBondContact O-N 2.9Å; M515-L518 HydrophobicContact CE-CD1 3.78Å; M515-L518 PolarHBondContact O-N 2.91Å; M515-L518 HydrophobicContact SD-CD1 3.85Å; M515-T519 PolarHBondContact O-N 3.44Å; M515-T519 PolarHBondContact O-OG1 2.86Å; M515-A525 WeakPolarHBondContact O-CB 3.25Å; M515-I528 HydrophobicContact CG-CB 4.01Å; M515-I528 HydrophobicContact CG-CD1 4.35Å; M515-I528 HydrophobicContact CG-CG2 3.79Å; M515-I528 HydrophobicContact SD-CB 4.26Å; M515-I528 HydrophobicContact SD-CD1 3.46Å; M515-I528 WeakPolarHBondContact SD-CD1 3.03Å; M515-I528 HydrophobicContact SD-CG1 4.44Å; M515-I528 HydrophobicContact SD-CG2 4.27Å; M515-C529 VanDerWaalsContact CB-SG 3.57Å |
| 516 | L | 90 | Very high | 87 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | 172.5 | -67 | 174.3 | 0 | 0 | 0 | 112.2 | F512 I513 E514 T519 L526 V729 F730 F733 | F512-L516 HydrophobicContact CD1-CD1 3.86Å; F512-L516 HydrophobicContact CD1-CG 4.26Å; F512-L516 HydrophobicContact CE1-CD1 3.87Å; F512-L516 HydrophobicContact CE1-CG 4.33Å; F512-L516 WeakPolarHBondContact O-CG 3.31Å; F512-L516 PolarHBondContact O-N 3.29Å; I513-L516 WeakPolarHBondContact O-CB 3.46Å; I513-L516 PolarHBondContact O-N 3.48Å; I513-L516 VanDerWaalsContact O-N 3.09Å; E514-L516 VanDerWaalsContact C-N 3.31Å; E514-L516 PolarHBondContact O-N 3.43Å; L516-T519 VanDerWaalsContact O-CB 3.25Å; L516-T519 WeakPolarHBondContact O-CB 3.4Å; L516-T519 PolarHBondContact O-N 3.42Å; L516-T519 PolarHBondContact O-OG1 3.48Å; L516-L526 HydrophobicContact CD2-CD2 4.05Å; L516-V729 HydrophobicContact CD1-CG1 3.79Å; L516-F730 HydrophobicContact CD2-CB 4.5Å; L516-F730 HydrophobicContact CD2-CD2 4.48Å; L516-F733 HydrophobicContact CB-CD1 4.15Å; L516-F733 HydrophobicContact CB-CE1 4.09Å; L516-F733 HydrophobicContact CD2-CB 3.92Å; L516-F733 HydrophobicContact CD2-CD1 3.93Å; L516-F733 HydrophobicContact CD2-CD2 4.46Å; L516-F733 HydrophobicContact CD2-CG 3.85Å; L516-F733 WeakPolarHBondContact O-CE1 3.48Å |
| 517 | V | 90.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -49.3 | 170 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | I513 E514 T519 F520 F521 Q815 F819 | I513-V517 PolarHBondContact O-N 3.37Å; E514-V517 WeakPolarHBondContact O-CB 3.35Å; E514-V517 PolarHBondContact O-N 3Å; V517-T519 PolarHBondContact O-N 3.35Å; V517-T519 VanDerWaalsContact O-N 3.08Å; V517-F520 WeakPolarHBondContact O-CB 3.19Å; V517-F520 PolarHBondContact O-N 3.13Å; V517-F521 HydrophobicContact CG1-CE2 4.35Å; V517-Q815 HydrophobicContact CG2-CB 4.19Å; V517-Q815 HydrophobicContact CG2-CG 3.64Å; V517-F819 HydrophobicContact CG1-CE1 4.02Å; V517-F819 HydrophobicContact CG1-CZ 3.86Å |
| 518 | L | 89.7 | Confident | 87.8 | Confident | 65 Ų | 65 | 46 Ų | 46 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.4 | -23.6 | 179 | -72.9 | 173.9 | 0 | 0 | 0 | 112.3 | E514 M515 F520 F521 Y522 A525 | E514-L518 WeakPolarHBondContact O-CB 3.46Å; E514-L518 WeakPolarHBondContact O-CG 3.19Å; E514-L518 PolarHBondContact O-N 3.36Å; M515-L518 HydrophobicContact CE-CD1 3.78Å; M515-L518 PolarHBondContact O-N 2.91Å; M515-L518 HydrophobicContact SD-CD1 3.85Å; L518-F520 PolarHBondContact O-N 2.93Å; L518-F521 CarbonylContact O-C 3.39Å; L518-F521 PolarHBondContact O-N 3.04Å; L518-Y522 PolarHBondContact O-N 3.31Å; L518-A525 HydrophobicContact CB-CB 3.82Å |
| 519 | T | 86.3 | Confident | 88.2 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -29.3 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | M515 L516 V517 F521 Y522 L526 F737 | M515-T519 PolarHBondContact O-N 3.44Å; M515-T519 PolarHBondContact O-OG1 2.86Å; L516-T519 VanDerWaalsContact O-CB 3.25Å; L516-T519 WeakPolarHBondContact O-CB 3.4Å; L516-T519 PolarHBondContact O-N 3.42Å; L516-T519 PolarHBondContact O-OG1 3.48Å; V517-T519 PolarHBondContact O-N 3.35Å; V517-T519 VanDerWaalsContact O-N 3.08Å; T519-F521 PolarHBondContact O-N 3.26Å; T519-Y522 WeakPolarHBondContact CA-O 3.35Å; T519-L526 HydrophobicContact CG2-CD1 3.75Å; T519-L526 HydrophobicContact CG2-CD2 3.93Å; T519-L526 HydrophobicContact CG2-CG 3.54Å; T519-F737 HydrophobicContact CG2-CB 4.21Å; T519-F737 HydrophobicContact CG2-CD1 4.31Å; T519-F737 HydrophobicContact CG2-CD2 3.48Å; T519-F737 VanDerWaalsContact CG2-CD2 3.48Å; T519-F737 HydrophobicContact CG2-CE2 3.85Å; T519-F737 HydrophobicContact CG2-CG 3.75Å; T519-F737 HydrophobicContact CG2-CZ 4.4Å |
| 520 | F | 84.5 | Confident | 88.6 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28.2 | 173.9 | -75.4 | -97.6 | 0 | 0 | 0 | 112.6 | V517 L518 F733 F737 F819 H838 I841 | V517-F520 WeakPolarHBondContact O-CB 3.19Å; V517-F520 PolarHBondContact O-N 3.13Å; L518-F520 PolarHBondContact O-N 2.93Å; F520-F733 HydrophobicContact CD2-CE1 4.04Å; F520-F733 AromaticContact CE2-CE1 3.37Å; F520-F733 HydrophobicContact CE2-CE1 3.37Å; F520-F733 AromaticContact CE2-CZ 3.74Å; F520-F733 HydrophobicContact CE2-CZ 3.74Å; F520-F733 HydrophobicContact CZ-CE1 4.09Å; F520-F733 HydrophobicContact CZ-CZ 4.21Å; F520-F737 HydrophobicContact CD1-CE1 4.48Å; F520-F737 AromaticContact CD1-CZ 3.78Å; F520-F737 HydrophobicContact CD1-CZ 3.78Å; F520-F737 HydrophobicContact CD2-CE2 4.49Å; F520-F737 HydrophobicContact CD2-CZ 4.09Å; F520-F737 AromaticContact CE1-CZ 3.94Å; F520-F737 HydrophobicContact CE1-CZ 3.94Å; F520-F737 HydrophobicContact CE2-CE2 4.48Å; F520-F737 HydrophobicContact CE2-CZ 4.29Å; F520-F737 AromaticContact CG-CZ 3.86Å; F520-F737 HydrophobicContact CG-CZ 3.86Å; F520-F737 HydrophobicContact CZ-CZ 4.21Å; F520-F819 HydrophobicContact CB-CE1 4.19Å; F520-F819 HydrophobicContact CB-CZ 3.76Å; F520-F819 HydrophobicContact CD1-CE2 4.31Å; F520-F819 HydrophobicContact CD1-CZ 4.05Å; F520-F819 AromaticContact CD2-CE2 3.75Å; F520-F819 HydrophobicContact CD2-CE2 3.75Å; F520-F819 AromaticContact CD2-CZ 3.35Å; F520-F819 HydrophobicContact CD2-CZ 3.35Å; F520-F819 HydrophobicContact CE1-CE2 4.29Å; F520-F819 HydrophobicContact CE1-CZ 4.47Å; F520-F819 AromaticContact CE2-CE2 3.66Å; F520-F819 HydrophobicContact CE2-CE2 3.66Å; F520-F819 AromaticContact CE2-CZ 3.79Å; F520-F819 HydrophobicContact CE2-CZ 3.79Å; F520-F819 HydrophobicContact CG-CE1 4.31Å; F520-F819 HydrophobicContact CG-CE2 4.05Å; F520-F819 AromaticContact CG-CZ 3.46Å; F520-F819 HydrophobicContact CG-CZ 3.46Å; F520-F819 VanDerWaalsContact CG-CZ 3.46Å; F520-F819 AromaticContact CZ-CE2 3.97Å; F520-F819 HydrophobicContact CZ-CE2 3.97Å; F520-F819 HydrophobicContact CZ-CZ 4.35Å; F520-H838 HydrophobicContact CD1-CB 4.31Å; F520-H838 AromaticContact CD1-CD2 3.72Å; F520-I841 HydrophobicContact CE1-CB 3.97Å; F520-I841 HydrophobicContact CE1-CG2 3.65Å; F520-I841 HydrophobicContact CZ-CB 4.48Å; F520-I841 HydrophobicContact CZ-CG2 3.85Å |
| 521 | F | 84 | Confident | 88.8 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -40.7 | 177.7 | -56 | -79.5 | 0 | 0 | 0 | 112 | V517 L518 T519 F819 L822 H838 | V517-F521 HydrophobicContact CG1-CE2 4.35Å; L518-F521 CarbonylContact O-C 3.39Å; L518-F521 PolarHBondContact O-N 3.04Å; T519-F521 PolarHBondContact O-N 3.26Å; F521-F819 AromaticContact CE2-CE1 3.7Å; F521-F819 HydrophobicContact CE2-CE1 3.7Å; F521-F819 HydrophobicContact CZ-CD1 4.31Å; F521-F819 AromaticContact CZ-CE1 3.8Å; F521-F819 HydrophobicContact CZ-CE1 3.8Å; F521-L822 HydrophobicContact CE2-CD1 4.24Å; F521-L822 HydrophobicContact CZ-CD1 3.8Å; F521-H838 AromaticContact CE1-CE1 3.97Å; F521-H838 AromaticContact CE1-ND1 3.91Å |
| 522 | Y | 82.8 | Confident | 89 | Confident | 154 Ų | 154 | 38.2 Ų | 38.2 | 60% | 0.604 | 19% | 0.188 | S | C | * | . | trans | -139.7 | 101.3 | -172.3 | -52.9 | -69.6 | 0 | 0 | 0 | 110.7 | L518 T519 H524 A525 | L518-Y522 PolarHBondContact O-N 3.31Å; T519-Y522 WeakPolarHBondContact CA-O 3.35Å; Y522-H524 PolarHBondContact O-N 3.18Å; Y522-H524 VanDerWaalsContact O-N 3.09Å; Y522-A525 WeakPolarHBondContact O-CB 3.31Å; Y522-A525 PolarHBondContact O-N 2.87Å | ||
| 523 | R | 76.5 | Confident | 89.1 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -32.7 | 179.8 | -177.5 | 177.8 | 169.9 | -178.3 | -7 | 113.9 | A525 L526 F561 F737 G738 | R523-A525 PolarHBondContact O-N 3.24Å; R523-L526 HydrophobicContact CG-CD1 4.27Å; R523-L526 WeakPolarHBondContact O-CB 3.27Å; R523-L526 PolarHBondContact O-N 2.91Å; R523-F561 VanDerWaalsContact CZ-O 3.3Å; R523-F561 PolarHBondContact NH2-O 3.31Å; R523-F737 PolarHBondContact NE-O 3.09Å; R523-F737 PolarHBondContact NH1-O 3.37Å; R523-F737 VanDerWaalsContact NH1-O 3.14Å; R523-G738 VanDerWaalsContact NH2-CA 3.28Å; R523-G738 PolarHBondContact NH2-O 3.5Å |
| 524 | H | 83.6 | Confident | 89.3 | Confident | 104 Ų | 104 | 37.5 Ų | 37.5 | 48% | 0.481 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14.7 | 178.6 | -46.6 | -46.7 | 0 | 0 | 0 | 112.9 | Y522 L526 I527 T562 | Y522-H524 PolarHBondContact O-N 3.18Å; Y522-H524 VanDerWaalsContact O-N 3.09Å; H524-L526 PolarHBondContact O-N 3.35Å; H524-I527 HydrophobicContact CB-CD1 4.06Å; H524-I527 WeakPolarHBondContact O-CB 3.25Å; H524-I527 WeakPolarHBondContact O-CG1 3.34Å; H524-I527 PolarHBondContact O-N 2.96Å; H524-T562 PolarHBondContact CE1-O 3.15Å; H524-T562 VanDerWaalsContact CE1-O 3.26Å; H524-T562 PolarHBondContact ND1-O 2.96Å |
| 525 | A | 88.9 | Confident | 89.3 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -28.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M515 L518 Y522 R523 I527 I528 | M515-A525 WeakPolarHBondContact O-CB 3.25Å; L518-A525 HydrophobicContact CB-CB 3.82Å; Y522-A525 WeakPolarHBondContact O-CB 3.31Å; Y522-A525 PolarHBondContact O-N 2.87Å; R523-A525 PolarHBondContact O-N 3.24Å; A525-I527 PolarHBondContact O-N 2.9Å; A525-I528 WeakPolarHBondContact O-CB 3.26Å; A525-I528 PolarHBondContact O-N 3.31Å; A525-I528 VanDerWaalsContact O-N 3.09Å |
| 526 | L | 89.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -27.3 | 172.5 | -70.9 | 172.9 | 0 | 0 | 0 | 112.9 | L516 T519 R523 H524 I528 C529 I530 T562 F730 F733 L734 F737 | L516-L526 HydrophobicContact CD2-CD2 4.05Å; T519-L526 HydrophobicContact CG2-CD1 3.75Å; T519-L526 HydrophobicContact CG2-CD2 3.93Å; T519-L526 HydrophobicContact CG2-CG 3.54Å; R523-L526 HydrophobicContact CG-CD1 4.27Å; R523-L526 WeakPolarHBondContact O-CB 3.27Å; R523-L526 PolarHBondContact O-N 2.91Å; H524-L526 PolarHBondContact O-N 3.35Å; L526-I528 PolarHBondContact O-N 2.88Å; L526-C529 WeakPolarHBondContact O-CB 3.42Å; L526-C529 PolarHBondContact O-N 3.34Å; L526-C529 VanDerWaalsContact O-N 3.15Å; L526-I530 VanDerWaalsContact O-CG1 3.25Å; L526-I530 WeakPolarHBondContact O-CG1 3.35Å; L526-I530 PolarHBondContact O-N 3.33Å; L526-T562 HydrophobicContact CB-CG2 4.16Å; L526-T562 HydrophobicContact CD1-CG2 4.45Å; L526-F730 HydrophobicContact CD2-CD2 4.06Å; L526-F730 HydrophobicContact CD2-CE2 3.97Å; L526-F733 HydrophobicContact CD2-CB 4.31Å; L526-L734 HydrophobicContact CD1-CD1 4.24Å; L526-F737 HydrophobicContact CD1-CB 4.2Å |
| 527 | I | 91.6 | Very high | 89.5 | Confident | 52 Ų | 52 | 39.6 Ų | 39.6 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -36.2 | 176.7 | -60.8 | 174.4 | 0 | 0 | 0 | 110.2 | H524 A525 I530 A531 T562 L563 | H524-I527 HydrophobicContact CB-CD1 4.06Å; H524-I527 WeakPolarHBondContact O-CB 3.25Å; H524-I527 WeakPolarHBondContact O-CG1 3.34Å; H524-I527 PolarHBondContact O-N 2.96Å; A525-I527 PolarHBondContact O-N 2.9Å; I527-I530 PolarHBondContact O-N 3.44Å; I527-A531 VanDerWaalsContact O-CB 3.3Å; I527-A531 WeakPolarHBondContact O-CB 3.36Å; I527-A531 PolarHBondContact O-N 3.31Å; I527-T562 WeakPolarHBondContact CD1-OG1 3.09Å; I527-T562 WeakPolarHBondContact CG1-OG1 3.44Å; I527-L563 HydrophobicContact CD1-CD2 3.88Å; I527-L563 HydrophobicContact CD1-CG 4.27Å |
| 528 | I | 91.8 | Very high | 89.6 | Confident | 77 Ų | 77 | 43 Ų | 43 | 40% | 0.395 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.8 | -43.4 | 177.5 | -62 | 169.1 | 0 | 0 | 0 | 109.9 | M515 A525 L526 I530 A531 L532 | M515-I528 HydrophobicContact CG-CB 4.01Å; M515-I528 HydrophobicContact CG-CD1 4.35Å; M515-I528 HydrophobicContact CG-CG2 3.79Å; M515-I528 HydrophobicContact SD-CB 4.26Å; M515-I528 HydrophobicContact SD-CD1 3.46Å; M515-I528 WeakPolarHBondContact SD-CD1 3.03Å; M515-I528 HydrophobicContact SD-CG1 4.44Å; M515-I528 HydrophobicContact SD-CG2 4.27Å; A525-I528 WeakPolarHBondContact O-CB 3.26Å; A525-I528 PolarHBondContact O-N 3.31Å; A525-I528 VanDerWaalsContact O-N 3.09Å; L526-I528 PolarHBondContact O-N 2.88Å; I528-I530 VanDerWaalsContact C-N 3.34Å; I528-I530 PolarHBondContact O-N 3.33Å; I528-A531 PolarHBondContact O-N 3.49Å; I528-L532 HydrophobicContact CG2-CD1 4.43Å; I528-L532 WeakPolarHBondContact O-CG 3.49Å; I528-L532 PolarHBondContact O-N 2.87Å |
| 529 | C | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 174 | -63 | 0 | 0 | 0 | 0 | 111.9 | F512 M515 L526 L532 M533 F730 | F512-C529 HydrophobicContact CD2-CB 4.17Å; F512-C529 HydrophobicContact CE2-CB 3.65Å; F512-C529 HydrophobicContact CZ-CB 3.88Å; M515-C529 VanDerWaalsContact CB-SG 3.57Å; L526-C529 WeakPolarHBondContact O-CB 3.42Å; L526-C529 PolarHBondContact O-N 3.34Å; L526-C529 VanDerWaalsContact O-N 3.15Å; C529-L532 PolarHBondContact O-N 3.36Å; C529-M533 WeakPolarHBondContact O-CG 3.32Å; C529-M533 PolarHBondContact O-N 2.79Å; C529-F730 HydrophobicContact CB-CD2 3.57Å; C529-F730 HydrophobicContact CB-CE2 3.82Å |
| 530 | I | 93.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 176.3 | -67.7 | 163.6 | 0 | 0 | 0 | 110.9 | L526 I527 I528 L532 M533 A534 C555 D558 C559 T562 F730 | L526-I530 VanDerWaalsContact O-CG1 3.25Å; L526-I530 WeakPolarHBondContact O-CG1 3.35Å; L526-I530 PolarHBondContact O-N 3.33Å; I527-I530 PolarHBondContact O-N 3.44Å; I528-I530 VanDerWaalsContact C-N 3.34Å; I528-I530 PolarHBondContact O-N 3.33Å; I530-L532 VanDerWaalsContact C-N 3.32Å; I530-L532 PolarHBondContact O-N 3.3Å; I530-M533 WeakPolarHBondContact O-CB 3.39Å; I530-M533 PolarHBondContact O-N 3.02Å; I530-A534 PolarHBondContact O-N 2.82Å; I530-C555 HydrophobicContact CG2-CB 3.46Å; I530-C555 VanDerWaalsContact CG2-CB 3.46Å; I530-C555 WeakPolarHBondContact CG2-O 3.41Å; I530-D558 HydrophobicContact CD1-CB 3.88Å; I530-C559 VanDerWaalsContact CG2-SG 3.52Å; I530-T562 HydrophobicContact CD1-CG2 4.37Å; I530-F730 HydrophobicContact CD1-CE2 4.46Å; I530-F730 HydrophobicContact CD1-CZ 4.2Å; I530-F730 HydrophobicContact CG1-CE2 3.69Å; I530-F730 HydrophobicContact CG1-CZ 3.41Å; I530-F730 VanDerWaalsContact CG1-CZ 3.41Å |
| 531 | A | 93.9 | Very high | 89.6 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I527 I528 M533 A534 V535 | I527-A531 VanDerWaalsContact O-CB 3.3Å; I527-A531 WeakPolarHBondContact O-CB 3.36Å; I527-A531 PolarHBondContact O-N 3.31Å; I528-A531 PolarHBondContact O-N 3.49Å; A531-M533 VanDerWaalsContact C-N 3.34Å; A531-M533 PolarHBondContact O-N 2.87Å; A531-A534 PolarHBondContact O-N 3.23Å; A531-V535 WeakPolarHBondContact O-CG2 3.29Å; A531-V535 PolarHBondContact O-N 3.11Å |
| 532 | L | 92.9 | Very high | 89.5 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 174.7 | -69.6 | 173.8 | 0 | 0 | 0 | 112 | L508 F512 I528 C529 I530 W536 | L508-L532 HydrophobicContact CD2-CD2 4.01Å; F512-L532 HydrophobicContact CD2-CB 4.43Å; F512-L532 HydrophobicContact CD2-CD1 3.9Å; I528-L532 HydrophobicContact CG2-CD1 4.43Å; I528-L532 WeakPolarHBondContact O-CG 3.49Å; I528-L532 PolarHBondContact O-N 2.87Å; C529-L532 PolarHBondContact O-N 3.36Å; I530-L532 VanDerWaalsContact C-N 3.32Å; I530-L532 PolarHBondContact O-N 3.3Å; L532-W536 WeakPolarHBondContact O-CB 3.49Å; L532-W536 PolarHBondContact O-N 3.19Å |
| 533 | M | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 173 | -70.7 | 179.1 | 65.7 | 0 | 0 | 112.4 | F512 C529 I530 A531 W536 I537 F551 F727 F730 F731 | F512-M533 HydrophobicContact CE2-CG 4.5Å; C529-M533 WeakPolarHBondContact O-CG 3.32Å; C529-M533 PolarHBondContact O-N 2.79Å; I530-M533 WeakPolarHBondContact O-CB 3.39Å; I530-M533 PolarHBondContact O-N 3.02Å; A531-M533 VanDerWaalsContact C-N 3.34Å; A531-M533 PolarHBondContact O-N 2.87Å; M533-W536 WeakPolarHBondContact O-CB 3.06Å; M533-W536 PolarHBondContact O-N 3.02Å; M533-I537 PolarHBondContact O-N 2.87Å; M533-F551 HydrophobicContact CB-CE1 4.33Å; M533-F551 HydrophobicContact CE-CZ 3.97Å; M533-F727 HydrophobicContact CE-CB 4.39Å; M533-F727 HydrophobicContact CE-CD2 4.18Å; M533-F727 HydrophobicContact CE-CG 4.13Å; M533-F727 HydrophobicContact CG-CD1 3.8Å; M533-F727 HydrophobicContact CG-CE1 3.52Å; M533-F727 HydrophobicContact CG-CE2 4.28Å; M533-F727 HydrophobicContact CG-CG 4.31Å; M533-F727 HydrophobicContact CG-CZ 3.79Å; M533-F727 HydrophobicContact SD-CD1 4.1Å; M533-F727 HydrophobicContact SD-CE1 4.42Å; M533-F727 HydrophobicContact SD-CG 4.29Å; M533-F730 HydrophobicContact CE-CD1 4.18Å; M533-F730 HydrophobicContact CE-CE1 4.21Å; M533-F730 HydrophobicContact SD-CD1 3.34Å; M533-F730 WeakPolarHBondContact SD-CD1 3.26Å; M533-F730 HydrophobicContact SD-CE1 3.48Å; M533-F730 WeakPolarHBondContact SD-CE1 3.48Å; M533-F730 HydrophobicContact SD-CG 3.95Å; M533-F730 HydrophobicContact SD-CZ 4.17Å; M533-F731 HydrophobicContact CE-CE2 3.9Å; M533-F731 HydrophobicContact CE-CZ 3.85Å |
| 534 | A | 94.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I530 A531 W536 I537 C538 V552 C555 | I530-A534 PolarHBondContact O-N 2.82Å; A531-A534 PolarHBondContact O-N 3.23Å; A534-W536 VanDerWaalsContact C-N 3.34Å; A534-I537 WeakPolarHBondContact O-CG2 3.28Å; A534-C538 PolarHBondContact O-N 3.45Å; A534-C538 PolarHBondContact O-SG 2.65Å; A534-V552 HydrophobicContact CB-CG2 4.47Å; A534-C555 HydrophobicContact CB-CB 4.32Å |
| 535 | V | 93.1 | Very high | 90.6 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 174.1 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | A531 C538 S539 | A531-V535 WeakPolarHBondContact O-CG2 3.29Å; A531-V535 PolarHBondContact O-N 3.11Å; V535-C538 PolarHBondContact O-N 2.86Å; V535-S539 PolarHBondContact O-N 3.38Å; V535-S539 VanDerWaalsContact O-N 3.09Å |
| 536 | W | 92 | Very high | 90.7 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 177.6 | 167.6 | 76.3 | 0 | 0 | 0 | 112.3 | L532 M533 A534 C538 S539 L540 F551 V690 E691 R723 F727 | L532-W536 WeakPolarHBondContact O-CB 3.49Å; L532-W536 PolarHBondContact O-N 3.19Å; M533-W536 WeakPolarHBondContact O-CB 3.06Å; M533-W536 PolarHBondContact O-N 3.02Å; A534-W536 VanDerWaalsContact C-N 3.34Å; W536-C538 VanDerWaalsContact C-N 3.28Å; W536-C538 PolarHBondContact O-N 3.49Å; W536-S539 WeakPolarHBondContact O-CB 3.34Å; W536-S539 PolarHBondContact O-N 2.67Å; W536-S539 PolarHBondContact O-OG 3.46Å; W536-L540 HydrophobicContact CH2-CD1 3.97Å; W536-L540 HydrophobicContact CZ2-CD1 3.67Å; W536-L540 HydrophobicContact CZ3-CD1 4.5Å; W536-L540 PolarHBondContact O-N 3.49Å; W536-F551 HydrophobicContact CZ3-CE2 4.49Å; W536-F551 HydrophobicContact CZ3-CZ 4.23Å; W536-V690 HydrophobicContact CH2-CG1 3.69Å; W536-V690 HydrophobicContact CZ3-CG1 4.18Å; W536-E691 WeakPolarHBondContact CH2-OE1 3.35Å; W536-E691 WeakPolarHBondContact CZ2-OE1 3.23Å; W536-R723 VanDerWaalsContact CZ2-CZ 3.44Å; W536-F727 HydrophobicContact CB-CZ 4.32Å; W536-F727 AromaticContact CD2-CE2 3.66Å; W536-F727 HydrophobicContact CD2-CE2 3.66Å; W536-F727 AromaticContact CD2-CZ 3.95Å; W536-F727 HydrophobicContact CD2-CZ 3.95Å; W536-F727 AromaticContact CE3-CE2 3.51Å; W536-F727 HydrophobicContact CE3-CE2 3.51Å; W536-F727 HydrophobicContact CE3-CZ 4.04Å; W536-F727 HydrophobicContact CG-CE2 4.27Å; W536-F727 HydrophobicContact CG-CZ 4.07Å; W536-F727 HydrophobicContact CH2-CE2 4.11Å; W536-F727 HydrophobicContact CZ2-CE2 4.27Å; W536-F727 HydrophobicContact CZ3-CD2 4.45Å; W536-F727 AromaticContact CZ3-CE2 3.74Å; W536-F727 HydrophobicContact CZ3-CE2 3.74Å |
| 537 | I | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 179.9 | -173.2 | 54.9 | 0 | 0 | 0 | 112.2 | M533 A534 S539 L540 R548 F551 V552 V690 | M533-I537 PolarHBondContact O-N 2.87Å; A534-I537 WeakPolarHBondContact O-CG2 3.28Å; I537-S539 PolarHBondContact O-N 3.28Å; I537-L540 HydrophobicContact CD1-CD1 3.89Å; I537-L540 PolarHBondContact O-N 2.85Å; I537-R548 HydrophobicContact CD1-CG 4.21Å; I537-R548 HydrophobicContact CG1-CB 4.31Å; I537-R548 HydrophobicContact CG1-CG 4.06Å; I537-R548 WeakPolarHBondContact O-CD 3.36Å; I537-F551 HydrophobicContact CB-CD1 3.86Å; I537-F551 HydrophobicContact CB-CE1 4.17Å; I537-F551 HydrophobicContact CB-CG 4.18Å; I537-F551 HydrophobicContact CG1-CB 3.93Å; I537-F551 HydrophobicContact CG1-CD1 4.08Å; I537-F551 HydrophobicContact CG1-CD2 4.38Å; I537-F551 HydrophobicContact CG1-CG 3.88Å; I537-F551 HydrophobicContact CG2-CB 4.37Å; I537-F551 HydrophobicContact CG2-CD1 3.48Å; I537-F551 VanDerWaalsContact CG2-CD1 3.48Å; I537-F551 HydrophobicContact CG2-CE1 4.01Å; I537-F551 HydrophobicContact CG2-CG 4.1Å; I537-V552 HydrophobicContact CG2-CG2 3.85Å; I537-V690 HydrophobicContact CD1-CG1 3.72Å; I537-V690 HydrophobicContact CD1-CG2 4.07Å |
| 538 | C | 92 | Very high | 90.8 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -28.9 | 175.1 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | A534 V535 W536 L540 | A534-C538 PolarHBondContact O-N 3.45Å; A534-C538 PolarHBondContact O-SG 2.65Å; V535-C538 PolarHBondContact O-N 2.86Å; W536-C538 VanDerWaalsContact C-N 3.28Å; W536-C538 PolarHBondContact O-N 3.49Å; C538-L540 VanDerWaalsContact C-N 3.31Å |
| 539 | S | 89.4 | Confident | 91 | Very high | 77 Ų | 77 | 62.6 Ų | 62.6 | 54% | 0.538 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -75.4 | -17.5 | 176.6 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | V535 W536 I537 R541 | V535-S539 PolarHBondContact O-N 3.38Å; V535-S539 VanDerWaalsContact O-N 3.09Å; W536-S539 WeakPolarHBondContact O-CB 3.34Å; W536-S539 PolarHBondContact O-N 2.67Å; W536-S539 PolarHBondContact O-OG 3.46Å; I537-S539 PolarHBondContact O-N 3.28Å; S539-R541 PolarHBondContact O-N 2.91Å |
| 540 | L | 88.6 | Confident | 91.1 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | trans | -77.3 | 117.1 | 178.8 | -60.5 | -175.4 | 0 | 0 | 0 | 110.9 | W536 I537 C538 C543 R548 V690 | W536-L540 HydrophobicContact CH2-CD1 3.97Å; W536-L540 HydrophobicContact CZ2-CD1 3.67Å; W536-L540 HydrophobicContact CZ3-CD1 4.5Å; W536-L540 PolarHBondContact O-N 3.49Å; I537-L540 HydrophobicContact CD1-CD1 3.89Å; I537-L540 PolarHBondContact O-N 2.85Å; C538-L540 VanDerWaalsContact C-N 3.31Å; L540-C543 HydrophobicContact CB-CB 4.49Å; L540-R548 WeakPolarHBondContact O-CD 3.27Å; L540-R548 PolarHBondContact O-NH1 3.43Å; L540-V690 HydrophobicContact CD1-CG1 3.82Å | ||
| 541 | R | 83 | Confident | 91.2 | Very high | 229 Ų | 229 | 67.2 Ų | 67.2 | 86% | 0.864 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -84.1 | -27.4 | 179.1 | -65.6 | -175.1 | 179.2 | -173.2 | -0.7 | 113.6 | S539 C543 | S539-R541 PolarHBondContact O-N 2.91Å; R541-C543 VanDerWaalsContact C-N 3.26Å; R541-C543 PolarHBondContact O-N 3.18Å |
| 542 | D | 82.6 | Confident | 91.3 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 78% | 0.775 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -77.8 | -10.6 | -176.3 | -55.3 | -30.7 | 0 | 0 | 0 | 113.3 | ||
| 543 | C | 85.6 | Confident | 91.6 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -88.2 | 140.1 | 179.2 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | L540 R541 R548 | L540-C543 HydrophobicContact CB-CB 4.49Å; R541-C543 VanDerWaalsContact C-N 3.26Å; R541-C543 PolarHBondContact O-N 3.18Å; C543-R548 HydrophobicContact CB-CG 3.89Å |
| 544 | S | 88.8 | Confident | 91.7 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | trans | -60.3 | 147 | 176 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | G546 L547 R548 | S544-G546 VanDerWaalsContact C-N 3.29Å; S544-G546 PolarHBondContact O-N 3.01Å; S544-L547 PolarHBondContact O-N 3.04Å; S544-L547 VanDerWaalsContact O-N 3.16Å; S544-L547 WeakPolarHBondContact OG-CB 3.25Å; S544-L547 PolarHBondContact OG-N 2.75Å; S544-R548 PolarHBondContact O-N 2.92Å; S544-R548 VanDerWaalsContact O-N 3.14Å | ||
| 545 | Y | 90.4 | Very high | 91.7 | Very high | 173 Ų | 173 | 67.9 Ų | 67.9 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.7 | -44 | 179.5 | 177.5 | -101.6 | 0 | 0 | 0 | 112.1 | L547 R548 V549 | Y545-L547 VanDerWaalsContact C-N 3.35Å; Y545-L547 PolarHBondContact O-N 3.23Å; Y545-R548 PolarHBondContact O-N 2.97Å; Y545-V549 HydrophobicContact CD1-CG2 4.15Å; Y545-V549 HydrophobicContact CD2-CG2 4.35Å; Y545-V549 HydrophobicContact CE1-CG2 3.69Å; Y545-V549 HydrophobicContact CE2-CG2 3.91Å; Y545-V549 HydrophobicContact CG-CG2 4.46Å; Y545-V549 WeakPolarHBondContact O-CG2 3.25Å; Y545-V549 PolarHBondContact O-N 3.33Å |
| 546 | G | 91.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S544 V549 F550 | S544-G546 VanDerWaalsContact C-N 3.29Å; S544-G546 PolarHBondContact O-N 3.01Å; G546-V549 PolarHBondContact O-N 3.35Å; G546-F550 WeakPolarHBondContact O-CB 3.35Å; G546-F550 PolarHBondContact O-N 2.95Å |
| 547 | L | 90.7 | Very high | 91.8 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 177.4 | -176.6 | 62.1 | 0 | 0 | 0 | 111.8 | S544 Y545 F550 F551 V686 V690 | S544-L547 PolarHBondContact O-N 3.04Å; S544-L547 VanDerWaalsContact O-N 3.16Å; S544-L547 WeakPolarHBondContact OG-CB 3.25Å; S544-L547 PolarHBondContact OG-N 2.75Å; Y545-L547 VanDerWaalsContact C-N 3.35Å; Y545-L547 PolarHBondContact O-N 3.23Å; L547-F550 PolarHBondContact O-N 3.48Å; L547-F551 WeakPolarHBondContact O-CB 3.26Å; L547-F551 PolarHBondContact O-N 2.89Å; L547-V686 HydrophobicContact CD1-CG1 3.81Å; L547-V690 HydrophobicContact CD1-CG2 4.35Å; L547-V690 HydrophobicContact CD2-CG2 3.75Å; L547-V690 HydrophobicContact CG-CG2 4Å |
| 548 | R | 92.5 | Very high | 91.8 | Very high | 62 Ų | 62 | 67.2 Ų | 67.2 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 176.7 | -64.8 | -171.9 | -65.4 | -163.4 | 0.5 | 111.6 | I537 L540 C543 S544 Y545 F550 F551 V552 | I537-R548 HydrophobicContact CD1-CG 4.21Å; I537-R548 HydrophobicContact CG1-CB 4.31Å; I537-R548 HydrophobicContact CG1-CG 4.06Å; I537-R548 WeakPolarHBondContact O-CD 3.36Å; L540-R548 WeakPolarHBondContact O-CD 3.27Å; L540-R548 PolarHBondContact O-NH1 3.43Å; C543-R548 HydrophobicContact CB-CG 3.89Å; S544-R548 PolarHBondContact O-N 2.92Å; S544-R548 VanDerWaalsContact O-N 3.14Å; Y545-R548 PolarHBondContact O-N 2.97Å; R548-F550 VanDerWaalsContact C-N 3.34Å; R548-F550 PolarHBondContact O-N 3.25Å; R548-F551 PolarHBondContact O-N 3.4Å; R548-V552 WeakPolarHBondContact O-CG2 3.26Å; R548-V552 PolarHBondContact O-N 3.3Å |
| 549 | V | 95 | Very high | 91.7 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 37% | 0.37 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | Y545 G546 F551 V552 T553 | Y545-V549 HydrophobicContact CD1-CG2 4.15Å; Y545-V549 HydrophobicContact CD2-CG2 4.35Å; Y545-V549 HydrophobicContact CE1-CG2 3.69Å; Y545-V549 HydrophobicContact CE2-CG2 3.91Å; Y545-V549 HydrophobicContact CG-CG2 4.46Å; Y545-V549 WeakPolarHBondContact O-CG2 3.25Å; Y545-V549 PolarHBondContact O-N 3.33Å; G546-V549 PolarHBondContact O-N 3.35Å; V549-F551 PolarHBondContact O-N 3.04Å; V549-V552 PolarHBondContact O-N 2.95Å; V549-T553 PolarHBondContact O-N 2.92Å; V549-T553 PolarHBondContact O-OG1 2.7Å |
| 550 | F | 95.9 | Very high | 91.7 | Very high | 98 Ų | 98 | 66 Ų | 66 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 179.2 | -173.8 | -123.9 | 0 | 0 | 0 | 112.9 | G546 L547 R548 V552 T553 L554 T682 V686 | G546-F550 WeakPolarHBondContact O-CB 3.35Å; G546-F550 PolarHBondContact O-N 2.95Å; L547-F550 PolarHBondContact O-N 3.48Å; R548-F550 VanDerWaalsContact C-N 3.34Å; R548-F550 PolarHBondContact O-N 3.25Å; F550-V552 PolarHBondContact O-N 3.11Å; F550-T553 WeakPolarHBondContact O-CB 3.49Å; F550-T553 PolarHBondContact O-N 3.28Å; F550-L554 HydrophobicContact CD1-CD1 4.11Å; F550-L554 HydrophobicContact CE1-CD1 3.8Å; F550-L554 HydrophobicContact CE2-CD1 4.48Å; F550-L554 HydrophobicContact CZ-CD1 3.99Å; F550-L554 HydrophobicContact CZ-CG 4.43Å; F550-L554 WeakPolarHBondContact O-CG 3.37Å; F550-L554 PolarHBondContact O-N 2.92Å; F550-T682 HydrophobicContact CE1-CG2 4.28Å; F550-T682 HydrophobicContact CZ-CG2 4.08Å; F550-V686 HydrophobicContact CD1-CG1 4.39Å; F550-V686 HydrophobicContact CD1-CG2 3.97Å; F550-V686 HydrophobicContact CE1-CG2 3.6Å |
| 551 | F | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.3 | -168.9 | -75.2 | 0 | 0 | 0 | 111.8 | M533 W536 I537 L547 R548 V549 T553 L554 C555 H683 V686 W687 V690 | M533-F551 HydrophobicContact CB-CE1 4.33Å; M533-F551 HydrophobicContact CE-CZ 3.97Å; W536-F551 HydrophobicContact CZ3-CE2 4.49Å; W536-F551 HydrophobicContact CZ3-CZ 4.23Å; I537-F551 HydrophobicContact CB-CD1 3.86Å; I537-F551 HydrophobicContact CB-CE1 4.17Å; I537-F551 HydrophobicContact CB-CG 4.18Å; I537-F551 HydrophobicContact CG1-CB 3.93Å; I537-F551 HydrophobicContact CG1-CD1 4.08Å; I537-F551 HydrophobicContact CG1-CD2 4.38Å; I537-F551 HydrophobicContact CG1-CG 3.88Å; I537-F551 HydrophobicContact CG2-CB 4.37Å; I537-F551 HydrophobicContact CG2-CD1 3.48Å; I537-F551 VanDerWaalsContact CG2-CD1 3.48Å; I537-F551 HydrophobicContact CG2-CE1 4.01Å; I537-F551 HydrophobicContact CG2-CG 4.1Å; L547-F551 WeakPolarHBondContact O-CB 3.26Å; L547-F551 PolarHBondContact O-N 2.89Å; R548-F551 PolarHBondContact O-N 3.4Å; V549-F551 PolarHBondContact O-N 3.04Å; F551-T553 VanDerWaalsContact C-N 3.33Å; F551-T553 PolarHBondContact O-N 3.35Å; F551-L554 PolarHBondContact O-N 3.02Å; F551-C555 VanDerWaalsContact CE1-SG 3.53Å; F551-C555 PolarHBondContact O-N 3.08Å; F551-C555 PolarHBondContact O-SG 3.22Å; F551-C555 VanDerWaalsContact O-SG 3.38Å; F551-H683 AromaticContact CD1-NE2 3.94Å; F551-H683 AromaticContact CE1-NE2 3.43Å; F551-H683 WeakPolarHBondContact CE1-NE2 3.19Å; F551-H683 AromaticContact CE2-CD2 3.94Å; F551-H683 AromaticContact CE2-NE2 3.76Å; F551-H683 AromaticContact CZ-CD2 3.99Å; F551-H683 AromaticContact CZ-NE2 3.32Å; F551-H683 VanDerWaalsContact CZ-NE2 3.32Å; F551-H683 WeakPolarHBondContact CZ-NE2 3.09Å; F551-V686 HydrophobicContact CD2-CG1 3.94Å; F551-W687 HydrophobicContact CE2-CB 3.96Å; F551-V690 HydrophobicContact CD2-CG2 4.32Å |
| 552 | V | 96.7 | Very high | 91.5 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | A534 I537 R548 V549 F550 L554 C555 I556 | A534-V552 HydrophobicContact CB-CG2 4.47Å; I537-V552 HydrophobicContact CG2-CG2 3.85Å; R548-V552 WeakPolarHBondContact O-CG2 3.26Å; R548-V552 PolarHBondContact O-N 3.3Å; V549-V552 PolarHBondContact O-N 2.95Å; F550-V552 PolarHBondContact O-N 3.11Å; V552-L554 VanDerWaalsContact C-N 3.32Å; V552-L554 PolarHBondContact O-N 3.29Å; V552-C555 WeakPolarHBondContact O-CB 3.35Å; V552-C555 PolarHBondContact O-N 2.68Å; V552-I556 HydrophobicContact CG1-CD1 4.15Å; V552-I556 WeakPolarHBondContact O-CG1 3.41Å; V552-I556 PolarHBondContact O-N 2.99Å |
| 553 | T | 97.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 47% | 0.466 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 173.8 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | V549 F550 F551 I556 A557 | V549-T553 PolarHBondContact O-N 2.92Å; V549-T553 PolarHBondContact O-OG1 2.7Å; F550-T553 WeakPolarHBondContact O-CB 3.49Å; F550-T553 PolarHBondContact O-N 3.28Å; F551-T553 VanDerWaalsContact C-N 3.33Å; F551-T553 PolarHBondContact O-N 3.35Å; T553-I556 PolarHBondContact O-N 3.09Å; T553-A557 WeakPolarHBondContact O-CB 3.41Å; T553-A557 PolarHBondContact O-N 2.9Å |
| 554 | L | 96.8 | Very high | 91.3 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.2 | -68.2 | 169.4 | 0 | 0 | 0 | 111.9 | F550 F551 V552 I556 A557 D558 I679 T682 H683 V686 | F550-L554 HydrophobicContact CD1-CD1 4.11Å; F550-L554 HydrophobicContact CE1-CD1 3.8Å; F550-L554 HydrophobicContact CE2-CD1 4.48Å; F550-L554 HydrophobicContact CZ-CD1 3.99Å; F550-L554 HydrophobicContact CZ-CG 4.43Å; F550-L554 WeakPolarHBondContact O-CG 3.37Å; F550-L554 PolarHBondContact O-N 2.92Å; F551-L554 PolarHBondContact O-N 3.02Å; V552-L554 VanDerWaalsContact C-N 3.32Å; V552-L554 PolarHBondContact O-N 3.29Å; L554-I556 PolarHBondContact O-N 3.39Å; L554-A557 WeakPolarHBondContact O-CB 3.28Å; L554-A557 PolarHBondContact O-N 2.65Å; L554-D558 PolarHBondContact O-N 2.83Å; L554-I679 HydrophobicContact CD2-CG2 4.22Å; L554-T682 HydrophobicContact CD1-CG2 4.07Å; L554-T682 HydrophobicContact CD2-CG2 4.29Å; L554-H683 HydrophobicContact CB-CB 4.02Å; L554-H683 HydrophobicContact CD1-CB 4.19Å; L554-V686 HydrophobicContact CD1-CB 4.37Å; L554-V686 HydrophobicContact CD1-CG2 4.01Å |
| 555 | C | 95.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 170.9 | -71.7 | 0 | 0 | 0 | 0 | 111.6 | I530 A534 F551 V552 A557 D558 C559 H683 | I530-C555 HydrophobicContact CG2-CB 3.46Å; I530-C555 VanDerWaalsContact CG2-CB 3.46Å; I530-C555 WeakPolarHBondContact CG2-O 3.41Å; A534-C555 HydrophobicContact CB-CB 4.32Å; F551-C555 VanDerWaalsContact CE1-SG 3.53Å; F551-C555 PolarHBondContact O-N 3.08Å; F551-C555 PolarHBondContact O-SG 3.22Å; F551-C555 VanDerWaalsContact O-SG 3.38Å; V552-C555 WeakPolarHBondContact O-CB 3.35Å; V552-C555 PolarHBondContact O-N 2.68Å; C555-A557 VanDerWaalsContact C-N 3.32Å; C555-A557 PolarHBondContact O-N 3.32Å; C555-D558 PolarHBondContact O-N 2.87Å; C555-C559 PolarHBondContact O-N 3.24Å; C555-C559 PolarHBondContact O-SG 3.1Å; C555-C559 VanDerWaalsContact O-SG 3.39Å; C555-H683 VanDerWaalsContact SG-CE1 3.51Å |
| 556 | I | 93.9 | Very high | 89.1 | Confident | 101 Ų | 101 | 46.8 Ų | 46.8 | 52% | 0.518 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.3 | -66.5 | 166.2 | 0 | 0 | 0 | 110.6 | V552 T553 L554 C559 L560 | V552-I556 HydrophobicContact CG1-CD1 4.15Å; V552-I556 WeakPolarHBondContact O-CG1 3.41Å; V552-I556 PolarHBondContact O-N 2.99Å; T553-I556 PolarHBondContact O-N 3.09Å; L554-I556 PolarHBondContact O-N 3.39Å; I556-C559 WeakPolarHBondContact O-CB 3.44Å; I556-C559 PolarHBondContact O-N 3.01Å; I556-L560 PolarHBondContact O-N 3.39Å; I556-L560 VanDerWaalsContact O-N 3.1Å |
| 557 | A | 93.3 | Very high | 87.7 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T553 L554 C555 C559 L560 F561 I679 | T553-A557 WeakPolarHBondContact O-CB 3.41Å; T553-A557 PolarHBondContact O-N 2.9Å; L554-A557 WeakPolarHBondContact O-CB 3.28Å; L554-A557 PolarHBondContact O-N 2.65Å; C555-A557 VanDerWaalsContact C-N 3.32Å; C555-A557 PolarHBondContact O-N 3.32Å; A557-C559 VanDerWaalsContact C-N 3.34Å; A557-C559 PolarHBondContact O-N 3.09Å; A557-L560 WeakPolarHBondContact O-CB 3.45Å; A557-L560 PolarHBondContact O-N 3.44Å; A557-L560 VanDerWaalsContact O-N 3.16Å; A557-F561 WeakPolarHBondContact O-CD2 3.47Å; A557-F561 PolarHBondContact O-N 3.03Å; A557-I679 HydrophobicContact CB-CD1 4.29Å; A557-I679 HydrophobicContact CB-CG2 3.84Å |
| 558 | D | 91.8 | Very high | 86 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 175 | -76.4 | -30 | 0 | 0 | 0 | 112.2 | I530 L554 C555 L560 F561 T562 I679 H683 L734 | I530-D558 HydrophobicContact CD1-CB 3.88Å; L554-D558 PolarHBondContact O-N 2.83Å; C555-D558 PolarHBondContact O-N 2.87Å; D558-L560 VanDerWaalsContact C-N 3.26Å; D558-L560 PolarHBondContact O-N 3.33Å; D558-F561 PolarHBondContact O-N 3.43Å; D558-F561 VanDerWaalsContact O-N 3.11Å; D558-T562 PolarHBondContact O-N 3.42Å; D558-I679 WeakPolarHBondContact OD1-CG2 3.32Å; D558-H683 IonicContact OD2-CE1 3.18Å; D558-H683 IonicContact OD2-CG 3.26Å; D558-H683 IonicContact OD2-ND1 2.73Å; D558-H683 PolarHBondContact OD2-ND1 2.58Å; D558-L734 HydrophobicContact CB-CD2 4.34Å |
| 559 | C | 90.1 | Very high | 84.3 | Confident | 24 Ų | 24 | 46 Ų | 46 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.1 | -41 | 174.3 | -74.3 | 0 | 0 | 0 | 0 | 111.7 | I530 C555 I556 A557 F561 T562 L563 | I530-C559 VanDerWaalsContact CG2-SG 3.52Å; C555-C559 PolarHBondContact O-N 3.24Å; C555-C559 PolarHBondContact O-SG 3.1Å; C555-C559 VanDerWaalsContact O-SG 3.39Å; I556-C559 WeakPolarHBondContact O-CB 3.44Å; I556-C559 PolarHBondContact O-N 3.01Å; A557-C559 VanDerWaalsContact C-N 3.34Å; A557-C559 PolarHBondContact O-N 3.09Å; C559-F561 VanDerWaalsContact C-N 3.32Å; C559-F561 PolarHBondContact O-N 3.18Å; C559-T562 PolarHBondContact O-N 2.99Å; C559-T562 VanDerWaalsContact O-N 3.08Å; C559-T562 PolarHBondContact O-OG1 3.14Å; C559-L563 PolarHBondContact O-N 3.46Å |
| 560 | L | 89.2 | Confident | 83.1 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 177.1 | -66 | 171.6 | 0 | 0 | 0 | 111.3 | I556 A557 D558 T562 L563 L564 | I556-L560 PolarHBondContact O-N 3.39Å; I556-L560 VanDerWaalsContact O-N 3.1Å; A557-L560 WeakPolarHBondContact O-CB 3.45Å; A557-L560 PolarHBondContact O-N 3.44Å; A557-L560 VanDerWaalsContact O-N 3.16Å; D558-L560 VanDerWaalsContact C-N 3.26Å; D558-L560 PolarHBondContact O-N 3.33Å; L560-T562 VanDerWaalsContact C-N 3.26Å; L560-T562 PolarHBondContact O-N 3.19Å; L560-L563 PolarHBondContact O-N 2.85Å; L560-L564 WeakPolarHBondContact O-CG 3.12Å; L560-L564 PolarHBondContact O-N 3.15Å |
| 561 | F | 85.5 | Confident | 82.3 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 177.4 | -70.6 | -80.9 | 0 | 0 | 0 | 112.5 | R523 A557 D558 C559 L563 L564 Y672 I675 F676 I679 | R523-F561 VanDerWaalsContact CZ-O 3.3Å; R523-F561 PolarHBondContact NH2-O 3.31Å; A557-F561 WeakPolarHBondContact O-CD2 3.47Å; A557-F561 PolarHBondContact O-N 3.03Å; D558-F561 PolarHBondContact O-N 3.43Å; D558-F561 VanDerWaalsContact O-N 3.11Å; C559-F561 VanDerWaalsContact C-N 3.32Å; C559-F561 PolarHBondContact O-N 3.18Å; F561-L563 PolarHBondContact O-N 3.06Å; F561-L564 HydrophobicContact CD1-CD1 3.75Å; F561-L564 HydrophobicContact CE1-CD1 4.02Å; F561-L564 HydrophobicContact CG-CD1 4.43Å; F561-L564 PolarHBondContact O-N 2.78Å; F561-Y672 AromaticContact CD1-CD2 3.88Å; F561-Y672 HydrophobicContact CD1-CD2 3.88Å; F561-Y672 HydrophobicContact CD1-CE2 4.07Å; F561-Y672 AromaticContact CE1-CD2 3.77Å; F561-Y672 HydrophobicContact CE1-CD2 3.77Å; F561-Y672 HydrophobicContact CE1-CE2 4.42Å; F561-I675 HydrophobicContact CZ-CB 4.3Å; F561-I675 HydrophobicContact CZ-CG2 3.9Å; F561-F676 HydrophobicContact CB-CD2 3.95Å; F561-F676 HydrophobicContact CD1-CB 3.69Å; F561-F676 HydrophobicContact CD1-CD2 4.27Å; F561-F676 HydrophobicContact CD1-CG 4.37Å; F561-F676 HydrophobicContact CD2-CB 4.46Å; F561-F676 HydrophobicContact CD2-CD2 4.09Å; F561-F676 HydrophobicContact CE1-CB 3.74Å; F561-F676 HydrophobicContact CG-CB 4.07Å; F561-F676 AromaticContact CG-CD2 3.82Å; F561-F676 HydrophobicContact CG-CD2 3.82Å; F561-F676 HydrophobicContact CG-CG 4.37Å; F561-F676 HydrophobicContact CZ-CB 4.21Å; F561-I679 HydrophobicContact CE2-CD1 3.43Å; F561-I679 VanDerWaalsContact CE2-CD1 3.43Å; F561-I679 HydrophobicContact CZ-CD1 3.88Å |
| 562 | T | 82.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -14.1 | 173.6 | 73.4 | 0 | 0 | 0 | 0 | 114.4 | H524 L526 I527 I530 D558 C559 L560 | H524-T562 PolarHBondContact CE1-O 3.15Å; H524-T562 VanDerWaalsContact CE1-O 3.26Å; H524-T562 PolarHBondContact ND1-O 2.96Å; L526-T562 HydrophobicContact CB-CG2 4.16Å; L526-T562 HydrophobicContact CD1-CG2 4.45Å; I527-T562 WeakPolarHBondContact CD1-OG1 3.09Å; I527-T562 WeakPolarHBondContact CG1-OG1 3.44Å; I530-T562 HydrophobicContact CD1-CG2 4.37Å; D558-T562 PolarHBondContact O-N 3.42Å; C559-T562 PolarHBondContact O-N 2.99Å; C559-T562 VanDerWaalsContact O-N 3.08Å; C559-T562 PolarHBondContact O-OG1 3.14Å; L560-T562 VanDerWaalsContact C-N 3.26Å; L560-T562 PolarHBondContact O-N 3.19Å |
| 563 | L | 83.7 | Confident | 81.6 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -105.3 | -13.7 | 179.8 | -61.1 | 172.7 | 0 | 0 | 0 | 113.4 | I527 C559 L560 F561 | I527-L563 HydrophobicContact CD1-CD2 3.88Å; I527-L563 HydrophobicContact CD1-CG 4.27Å; C559-L563 PolarHBondContact O-N 3.46Å; L560-L563 PolarHBondContact O-N 2.85Å; F561-L563 PolarHBondContact O-N 3.06Å |
| 564 | L | 79.3 | Confident | 81.3 | Confident | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -73.6 | 158.2 | -178 | -75.2 | 178.2 | 0 | 0 | 0 | 113.5 | L560 F561 Y672 | L560-L564 WeakPolarHBondContact O-CG 3.12Å; L560-L564 PolarHBondContact O-N 3.15Å; F561-L564 HydrophobicContact CD1-CD1 3.75Å; F561-L564 HydrophobicContact CE1-CD1 4.02Å; F561-L564 HydrophobicContact CG-CD1 4.43Å; F561-L564 PolarHBondContact O-N 2.78Å; L564-Y672 HydrophobicContact CB-CE2 4.26Å; L564-Y672 WeakPolarHBondContact CB-OH 3.35Å; L564-Y672 HydrophobicContact CD1-CD2 4.18Å; L564-Y672 HydrophobicContact CD1-CE1 4.45Å; L564-Y672 HydrophobicContact CD1-CE2 3.98Å |
| 565 | P | 69.6 | Low | 81.1 | Confident | 74 Ų | 74 | 54 Ų | 54 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | trans | -73.1 | -169.6 | -174 | 29.7 | -36.6 | 0 | 0 | 0 | 115.6 | Y672 R741 | P565-Y672 PolarHBondContact O-OH 2.95Å; P565-R741 WeakPolarHBondContact O-CD 3.47Å | ||
| 566 | V | 64 | Low | 81 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 9% | 0.085 | 28% | 0.278 | C | S | . | . | trans | -88 | 123.2 | -170.7 | 173.9 | 0 | 0 | 0 | 0 | 107.2 | G568 Q569 R741 N752 | V566-G568 PolarHBondContact O-N 2.91Å; V566-Q569 HydrophobicContact CB-CG 4.49Å; V566-R741 VanDerWaalsContact CA-CD 3.42Å; V566-R741 HydrophobicContact CB-CB 3.95Å; V566-R741 HydrophobicContact CB-CG 4.11Å; V566-R741 HydrophobicContact CG1-CB 4.1Å; V566-R741 WeakPolarHBondContact CG1-O 3.35Å; V566-R741 HydrophobicContact CG2-CB 3.7Å; V566-R741 HydrophobicContact CG2-CG 3.39Å; V566-N752 HydrophobicContact CG1-CB 4.48Å | ||
| 567 | V | 62.3 | Low | 81.1 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 11% | 0.109 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 123.8 | 168.1 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | V670 Y672 E673 | V567-V670 HydrophobicContact CG1-CG2 3.24Å; V567-Y672 HydrophobicContact CG2-CD1 4.44Å; V567-Y672 HydrophobicContact CG2-CD2 4.33Å; V567-Y672 HydrophobicContact CG2-CE1 3.82Å; V567-Y672 HydrophobicContact CG2-CE2 3.68Å; V567-E673 HydrophobicContact CB-CG 4.27Å; V567-E673 HydrophobicContact CG1-CG 3.84Å; V567-E673 HydrophobicContact CG2-CG 3.97Å |
| 568 | G | 55.2 | Low | 81.2 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 120.4 | -25.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V566 Q570 | V566-G568 PolarHBondContact O-N 2.91Å; G568-Q570 VanDerWaalsContact C-N 3.28Å; G568-Q570 PolarHBondContact O-N 2.75Å |
| 569 | Q | 57.1 | Low | 81.4 | Confident | 123 Ų | 123 | 55.6 Ų | 55.6 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62.9 | -39.4 | 174.2 | -75.5 | -173.6 | -14.9 | 0 | 0 | 111.5 | V566 | V566-Q569 HydrophobicContact CB-CG 4.49Š|
| 570 | Q | 68.5 | Low | 81.7 | Confident | 162 Ų | 162 | 54.5 Ų | 54.5 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -133.5 | 110.6 | 168.2 | -67.3 | -170.6 | -8.5 | 0 | 0 | 108.1 | G568 R572 | G568-Q570 VanDerWaalsContact C-N 3.28Å; G568-Q570 PolarHBondContact O-N 2.75Å; Q570-R572 PolarHBondContact O-N 3.25Å |
| 571 | P | 80.3 | Confident | 82.1 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | trans | -66.5 | 131.4 | 178.9 | 27.9 | -33.4 | 0 | 0 | 0 | 109.8 | Y573 V670 Y757 | P571-Y573 HydrophobicContact CB-CD2 4.06Å; P571-Y573 HydrophobicContact CB-CE2 3.54Å; P571-Y573 HydrophobicContact CG-CE2 4.05Å; P571-V670 HydrophobicContact CB-CB 4.29Å; P571-Y757 HydrophobicContact CB-CG 4.48Å; P571-Y757 HydrophobicContact CG-CD1 4.36Å; P571-Y757 HydrophobicContact CG-CD2 4.14Å; P571-Y757 HydrophobicContact CG-CE1 4.43Å; P571-Y757 HydrophobicContact CG-CE2 4.2Å; P571-Y757 HydrophobicContact CG-CG 4.24Å | ||
| 572 | R | 87.5 | Confident | 82.6 | Confident | 121 Ų | 121 | 58.7 Ų | 58.7 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | trans | -118.2 | 72.5 | -179.7 | -76.7 | -161.4 | 65.7 | 179.4 | 1.2 | 110 | Q570 D574 L575 V670 | Q570-R572 PolarHBondContact O-N 3.25Å; R572-D574 WeakPolarHBondContact CA-OD1 3.29Å; R572-D574 VanDerWaalsContact CB-OD1 3.23Å; R572-D574 WeakPolarHBondContact CB-OD1 3.46Å; R572-D574 IonicContact CZ-OD2 3.19Å; R572-D574 IonicContact NE-OD1 3Å; R572-D574 PolarHBondContact NE-OD1 2.8Å; R572-D574 IonicContact NE-OD2 3.58Å; R572-D574 PolarHBondContact NE-OD2 3.33Å; R572-D574 IonicContact NH2-OD2 2.84Å; R572-D574 PolarHBondContact NH2-OD2 3.49Å; R572-D574 PolarHBondContact O-N 3.43Å; R572-L575 HydrophobicContact CB-CD1 4.14Å; R572-L575 HydrophobicContact CB-CG 4.3Å; R572-L575 PolarHBondContact O-N 2.94Å; R572-V670 CarbonylContact C-O 3.53Å; R572-V670 PolarHBondContact N-O 3.22Å | ||
| 573 | Y | 89.7 | Confident | 83.2 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68 | -18.2 | 179.1 | -65.3 | -69.3 | 0 | 0 | 0 | 113.2 | P571 L575 V576 L577 V614 P615 V618 V670 Y757 | P571-Y573 HydrophobicContact CB-CD2 4.06Å; P571-Y573 HydrophobicContact CB-CE2 3.54Å; P571-Y573 HydrophobicContact CG-CE2 4.05Å; Y573-L575 VanDerWaalsContact C-N 3.28Å; Y573-L575 PolarHBondContact O-N 3.15Å; Y573-V576 HydrophobicContact CD1-CG2 4.43Å; Y573-V576 PolarHBondContact O-N 3.07Å; Y573-L577 WeakPolarHBondContact O-CB 3.14Å; Y573-L577 WeakPolarHBondContact O-CG 3.33Å; Y573-L577 PolarHBondContact O-N 3.3Å; Y573-V614 HydrophobicContact CD1-CB 4.42Å; Y573-V614 HydrophobicContact CD1-CG1 4.17Å; Y573-V614 HydrophobicContact CD2-CG1 4.21Å; Y573-V614 HydrophobicContact CE1-CB 4.25Å; Y573-V614 HydrophobicContact CE1-CG1 3.59Å; Y573-V614 HydrophobicContact CE2-CG1 3.62Å; Y573-V614 HydrophobicContact CG-CG1 4.45Å; Y573-V614 WeakPolarHBondContact OH-CG1 3.3Å; Y573-P615 HydrophobicContact CG-CG 4.34Å; Y573-V618 HydrophobicContact CE2-CG2 4.09Å; Y573-V670 HydrophobicContact CE1-CB 4.28Å; Y573-V670 HydrophobicContact CE1-CG1 4.21Å; Y573-Y757 WeakPolarHBondContact OH-CB 3.21Å; Y573-Y757 PolarHBondContact OH-O 3Å; Y573-Y757 VanDerWaalsContact OH-O 3.12Å |
| 574 | D | 92.1 | Very high | 83.8 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55 | -44.8 | 168.5 | 58.5 | -47 | 0 | 0 | 0 | 111.3 | R572 L578 | R572-D574 WeakPolarHBondContact CA-OD1 3.29Å; R572-D574 VanDerWaalsContact CB-OD1 3.23Å; R572-D574 WeakPolarHBondContact CB-OD1 3.46Å; R572-D574 IonicContact CZ-OD2 3.19Å; R572-D574 IonicContact NE-OD1 3Å; R572-D574 PolarHBondContact NE-OD1 2.8Å; R572-D574 IonicContact NE-OD2 3.58Å; R572-D574 PolarHBondContact NE-OD2 3.33Å; R572-D574 IonicContact NH2-OD2 2.84Å; R572-D574 PolarHBondContact NH2-OD2 3.49Å; R572-D574 PolarHBondContact O-N 3.43Å; D574-L578 WeakPolarHBondContact O-CB 3.38Å; D574-L578 PolarHBondContact O-N 2.92Å |
| 575 | L | 91.2 | Very high | 84.6 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 177.1 | -61.8 | 179.9 | 0 | 0 | 0 | 112.1 | R572 Y573 F579 Y672 | R572-L575 HydrophobicContact CB-CD1 4.14Å; R572-L575 HydrophobicContact CB-CG 4.3Å; R572-L575 PolarHBondContact O-N 2.94Å; Y573-L575 VanDerWaalsContact C-N 3.28Å; Y573-L575 PolarHBondContact O-N 3.15Å; L575-F579 WeakPolarHBondContact O-CB 3.29Å; L575-F579 PolarHBondContact O-N 3.41Å; L575-Y672 HydrophobicContact CD1-CD1 4.37Å |
| 576 | V | 93 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 177.1 | -176 | 0 | 0 | 0 | 0 | 110.3 | Y573 F579 C580 I611 T666 S671 | Y573-V576 HydrophobicContact CD1-CG2 4.43Å; Y573-V576 PolarHBondContact O-N 3.07Å; V576-F579 WeakPolarHBondContact O-CB 3.47Å; V576-F579 PolarHBondContact O-N 2.82Å; V576-C580 WeakPolarHBondContact O-CB 3.44Å; V576-C580 PolarHBondContact O-N 3.43Å; V576-C580 PolarHBondContact O-SG 3.34Å; V576-I611 HydrophobicContact CG1-CD1 4.43Å; V576-I611 HydrophobicContact CG1-CG2 4.01Å; V576-T666 HydrophobicContact CG1-CG2 4.13Å; V576-S671 VanDerWaalsContact CG2-O 3.24Å; V576-S671 WeakPolarHBondContact CG2-O 3.41Å |
| 577 | L | 95.8 | Very high | 87.2 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 179.8 | -75.7 | 169.7 | 0 | 0 | 0 | 111.8 | Y573 F579 C580 F581 I611 P615 | Y573-L577 WeakPolarHBondContact O-CB 3.14Å; Y573-L577 WeakPolarHBondContact O-CG 3.33Å; Y573-L577 PolarHBondContact O-N 3.3Å; L577-F579 VanDerWaalsContact C-N 3.28Å; L577-F579 PolarHBondContact O-N 3.4Å; L577-C580 WeakPolarHBondContact O-CB 3.19Å; L577-C580 PolarHBondContact O-N 3.26Å; L577-C580 VanDerWaalsContact O-N 3.09Å; L577-F581 HydrophobicContact CB-CE2 4.36Å; L577-F581 WeakPolarHBondContact O-CD2 3.33Å; L577-F581 PolarHBondContact O-N 3.32Å; L577-I611 HydrophobicContact CD2-CB 4.26Å; L577-I611 HydrophobicContact CD2-CG2 3.78Å; L577-I611 HydrophobicContact CG-CG2 4.16Å; L577-P615 HydrophobicContact CD1-CG 4.01Å |
| 578 | L | 96 | Very high | 88.8 | Confident | 110 Ų | 110 | 60.3 Ų | 60.3 | 58% | 0.576 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -55.7 | -46.8 | 174.3 | 177.4 | 62.8 | 0 | 0 | 0 | 111 | D574 F581 V582 | D574-L578 WeakPolarHBondContact O-CB 3.38Å; D574-L578 PolarHBondContact O-N 2.92Å; L578-F581 PolarHBondContact O-N 2.88Å; L578-V582 HydrophobicContact CD1-CG2 4.45Å; L578-V582 WeakPolarHBondContact O-CG2 3.5Å; L578-V582 PolarHBondContact O-N 3.31Å; L578-V582 VanDerWaalsContact O-N 3.15Å |
| 579 | F | 96.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 173.9 | 173.2 | -93.3 | 0 | 0 | 0 | 111.6 | L575 V576 L577 F581 V582 W583 L662 T666 P674 I675 V678 | L575-F579 WeakPolarHBondContact O-CB 3.29Å; L575-F579 PolarHBondContact O-N 3.41Å; V576-F579 WeakPolarHBondContact O-CB 3.47Å; V576-F579 PolarHBondContact O-N 2.82Å; L577-F579 VanDerWaalsContact C-N 3.28Å; L577-F579 PolarHBondContact O-N 3.4Å; F579-F581 VanDerWaalsContact C-N 3.34Å; F579-F581 PolarHBondContact O-N 2.98Å; F579-V582 PolarHBondContact O-N 3.18Å; F579-W583 HydrophobicContact CD1-CB 4.43Å; F579-W583 HydrophobicContact CE1-CB 4.05Å; F579-W583 HydrophobicContact CE1-CG 4.14Å; F579-W583 HydrophobicContact CE2-CD2 4.43Å; F579-W583 HydrophobicContact CE2-CE3 4.11Å; F579-W583 HydrophobicContact CZ-CB 4.13Å; F579-W583 AromaticContact CZ-CD2 3.95Å; F579-W583 HydrophobicContact CZ-CD2 3.95Å; F579-W583 HydrophobicContact CZ-CE3 4.07Å; F579-W583 AromaticContact CZ-CG 3.97Å; F579-W583 HydrophobicContact CZ-CG 3.97Å; F579-W583 WeakPolarHBondContact O-CB 3.32Å; F579-W583 PolarHBondContact O-N 3.45Å; F579-L662 HydrophobicContact CE1-CD1 4.12Å; F579-L662 HydrophobicContact CZ-CD1 3.95Å; F579-L662 HydrophobicContact CZ-CD2 4.02Å; F579-L662 HydrophobicContact CZ-CG 4.41Å; F579-T666 HydrophobicContact CD1-CG2 4.37Å; F579-T666 HydrophobicContact CE1-CG2 4.48Å; F579-P674 HydrophobicContact CD1-CB 3.37Å; F579-P674 HydrophobicContact CD1-CG 4.1Å; F579-P674 HydrophobicContact CD2-CB 4.19Å; F579-P674 HydrophobicContact CE1-CB 3.28Å; F579-P674 HydrophobicContact CE1-CG 4.34Å; F579-P674 HydrophobicContact CE2-CB 4.1Å; F579-P674 HydrophobicContact CG-CB 3.83Å; F579-P674 HydrophobicContact CZ-CB 3.65Å; F579-I675 HydrophobicContact CB-CG1 4.38Å; F579-I675 HydrophobicContact CD2-CG1 3.7Å; F579-I675 HydrophobicContact CE2-CG1 4.4Å; F579-I675 HydrophobicContact CG-CG1 4.34Å; F579-V678 HydrophobicContact CE2-CG2 3.78Å; F579-V678 HydrophobicContact CZ-CG2 3.7Å |
| 580 | C | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.9 | -43.1 | 179.9 | -75.7 | 0 | 0 | 0 | 0 | 113 | V576 L577 C584 T608 T666 | V576-C580 WeakPolarHBondContact O-CB 3.44Å; V576-C580 PolarHBondContact O-N 3.43Å; V576-C580 PolarHBondContact O-SG 3.34Å; L577-C580 WeakPolarHBondContact O-CB 3.19Å; L577-C580 PolarHBondContact O-N 3.26Å; L577-C580 VanDerWaalsContact O-N 3.09Å; C580-C584 VanDerWaalsContact O-CB 3.29Å; C580-C584 WeakPolarHBondContact O-CB 2.98Å; C580-C584 PolarHBondContact O-N 3.01Å; C580-C584 PolarHBondContact O-SG 2.87Å; C580-T608 HydrophobicContact CB-CG2 3.68Å; C580-T608 WeakPolarHBondContact CB-OG1 3.03Å; C580-T666 WeakPolarHBondContact SG-CG2 3.24Å |
| 581 | F | 95.9 | Very high | 93.7 | Very high | 131 Ų | 131 | 55 Ų | 55 | 58% | 0.575 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.2 | -46.9 | 178 | -75.3 | -66.2 | 0 | 0 | 0 | 112.2 | L577 L578 F579 W583 C584 F585 T608 | L577-F581 HydrophobicContact CB-CE2 4.36Å; L577-F581 WeakPolarHBondContact O-CD2 3.33Å; L577-F581 PolarHBondContact O-N 3.32Å; L578-F581 PolarHBondContact O-N 2.88Å; F579-F581 VanDerWaalsContact C-N 3.34Å; F579-F581 PolarHBondContact O-N 2.98Å; F581-W583 VanDerWaalsContact C-N 3.34Å; F581-W583 PolarHBondContact O-N 2.93Å; F581-C584 PolarHBondContact O-N 3.11Å; F581-F585 PolarHBondContact O-N 2.93Å; F581-F585 VanDerWaalsContact O-N 3.13Å; F581-T608 HydrophobicContact CD1-CG2 4.38Å; F581-T608 HydrophobicContact CE1-CG2 4.17Å; F581-T608 HydrophobicContact CZ-CG2 4.27Å |
| 582 | V | 96.3 | Very high | 94.2 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 47% | 0.467 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | L578 F579 F585 L586 | L578-V582 HydrophobicContact CD1-CG2 4.45Å; L578-V582 WeakPolarHBondContact O-CG2 3.5Å; L578-V582 PolarHBondContact O-N 3.31Å; L578-V582 VanDerWaalsContact O-N 3.15Å; F579-V582 PolarHBondContact O-N 3.18Å; V582-F585 PolarHBondContact O-N 3.29Å; V582-L586 HydrophobicContact CG1-CD1 4.1Å; V582-L586 WeakPolarHBondContact O-CG 3.3Å; V582-L586 PolarHBondContact O-N 3.37Å |
| 583 | W | 96.2 | Very high | 94.2 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69 | -36.4 | -179.2 | -161.8 | -103.8 | 0 | 0 | 0 | 112.7 | F579 F581 L586 T587 F659 L662 V678 | F579-W583 HydrophobicContact CD1-CB 4.43Å; F579-W583 HydrophobicContact CE1-CB 4.05Å; F579-W583 HydrophobicContact CE1-CG 4.14Å; F579-W583 HydrophobicContact CE2-CD2 4.43Å; F579-W583 HydrophobicContact CE2-CE3 4.11Å; F579-W583 HydrophobicContact CZ-CB 4.13Å; F579-W583 AromaticContact CZ-CD2 3.95Å; F579-W583 HydrophobicContact CZ-CD2 3.95Å; F579-W583 HydrophobicContact CZ-CE3 4.07Å; F579-W583 AromaticContact CZ-CG 3.97Å; F579-W583 HydrophobicContact CZ-CG 3.97Å; F579-W583 WeakPolarHBondContact O-CB 3.32Å; F579-W583 PolarHBondContact O-N 3.45Å; F581-W583 VanDerWaalsContact C-N 3.34Å; F581-W583 PolarHBondContact O-N 2.93Å; W583-L586 HydrophobicContact CE3-CD1 4.08Å; W583-L586 HydrophobicContact CZ3-CD1 4.31Å; W583-L586 PolarHBondContact O-N 2.95Å; W583-T587 WeakPolarHBondContact O-CB 3.37Å; W583-T587 PolarHBondContact O-N 3.34Å; W583-T587 PolarHBondContact O-OG1 2.86Å; W583-F659 AromaticContact CE2-CE1 3.7Å; W583-F659 HydrophobicContact CH2-CE1 4.35Å; W583-F659 HydrophobicContact CH2-CZ 4.06Å; W583-F659 AromaticContact CZ2-CD1 3.92Å; W583-F659 HydrophobicContact CZ2-CD1 3.92Å; W583-F659 HydrophobicContact CZ2-CD2 4.42Å; W583-F659 AromaticContact CZ2-CE1 3.43Å; W583-F659 HydrophobicContact CZ2-CE1 3.43Å; W583-F659 VanDerWaalsContact CZ2-CE1 3.43Å; W583-F659 HydrophobicContact CZ2-CE2 4.01Å; W583-F659 HydrophobicContact CZ2-CG 4.4Å; W583-F659 AromaticContact CZ2-CZ 3.49Å; W583-F659 HydrophobicContact CZ2-CZ 3.49Å; W583-F659 VanDerWaalsContact CZ2-CZ 3.49Å; W583-F659 AromaticContact NE1-CD1 3.69Å; W583-F659 AromaticContact NE1-CE1 3.74Å; W583-L662 HydrophobicContact CD2-CD2 3.98Å; W583-L662 HydrophobicContact CG-CD2 4.42Å; W583-L662 HydrophobicContact CH2-CD2 4.2Å; W583-L662 HydrophobicContact CZ2-CD2 3.38Å; W583-L662 VanDerWaalsContact NE1-CD2 3.3Å; W583-V678 HydrophobicContact CE3-CG2 4.13Å; W583-V678 HydrophobicContact CH2-CB 4.49Å; W583-V678 HydrophobicContact CH2-CG1 3.91Å; W583-V678 HydrophobicContact CH2-CG2 3.69Å; W583-V678 HydrophobicContact CZ2-CG2 4.2Å; W583-V678 HydrophobicContact CZ3-CB 4.38Å; W583-V678 HydrophobicContact CZ3-CG1 3.75Å; W583-V678 HydrophobicContact CZ3-CG2 3.65Å |
| 584 | C | 95.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 65.9 Ų | 65.9 | 9% | 0.088 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 170 | -81.1 | 0 | 0 | 0 | 0 | 111.2 | C580 F581 T587 L588 F601 Q604 T608 | C580-C584 VanDerWaalsContact O-CB 3.29Å; C580-C584 WeakPolarHBondContact O-CB 2.98Å; C580-C584 PolarHBondContact O-N 3.01Å; C580-C584 PolarHBondContact O-SG 2.87Å; F581-C584 PolarHBondContact O-N 3.11Å; C584-T587 PolarHBondContact O-N 2.72Å; C584-L588 WeakPolarHBondContact O-CB 3.42Å; C584-L588 PolarHBondContact O-N 2.66Å; C584-F601 HydrophobicContact CB-CE2 4.21Å; C584-F601 WeakPolarHBondContact O-CD2 3.46Å; C584-Q604 VanDerWaalsContact SG-CG 3.51Å; C584-T608 PolarHBondContact SG-OG1 3.2Å; C584-T608 VanDerWaalsContact SG-OG1 3.36Å |
| 585 | F | 95.6 | Very high | 94.1 | Very high | 123 Ų | 123 | 67.7 Ų | 67.7 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 179.4 | 178.6 | -104.5 | 0 | 0 | 0 | 112 | F581 V582 T587 L588 L589 | F581-F585 PolarHBondContact O-N 2.93Å; F581-F585 VanDerWaalsContact O-N 3.13Å; V582-F585 PolarHBondContact O-N 3.29Å; F585-T587 VanDerWaalsContact C-N 3.35Å; F585-T587 PolarHBondContact O-N 2.92Å; F585-L588 WeakPolarHBondContact O-CB 3.44Å; F585-L588 PolarHBondContact O-N 3.13Å; F585-L589 HydrophobicContact CD1-CD1 4.14Å; F585-L589 HydrophobicContact CE1-CD1 3.59Å; F585-L589 HydrophobicContact CE1-CG 4.29Å; F585-L589 HydrophobicContact CZ-CD1 3.92Å; F585-L589 HydrophobicContact CZ-CD2 4.31Å; F585-L589 HydrophobicContact CZ-CG 4.28Å; F585-L589 WeakPolarHBondContact O-CG 3.49Å; F585-L589 PolarHBondContact O-N 3.32Å; F585-L589 VanDerWaalsContact O-N 3.12Å |
| 586 | L | 94.5 | Very high | 94.1 | Very high | 74 Ų | 74 | 67.3 Ų | 67.3 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 176 | -68.2 | 173.6 | 0 | 0 | 0 | 112 | V582 W583 L588 L589 L590 | V582-L586 HydrophobicContact CG1-CD1 4.1Å; V582-L586 WeakPolarHBondContact O-CG 3.3Å; V582-L586 PolarHBondContact O-N 3.37Å; W583-L586 HydrophobicContact CE3-CD1 4.08Å; W583-L586 HydrophobicContact CZ3-CD1 4.31Å; W583-L586 PolarHBondContact O-N 2.95Å; L586-L588 VanDerWaalsContact C-N 3.32Å; L586-L588 PolarHBondContact O-N 3.16Å; L586-L589 PolarHBondContact O-N 2.65Å; L586-L590 WeakPolarHBondContact O-CG 3.23Å; L586-L590 PolarHBondContact O-N 3.38Å |
| 587 | T | 94.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -36.8 | 177.8 | -53 | 0 | 0 | 0 | 0 | 111.7 | W583 C584 F585 L590 F597 L600 F601 F659 | W583-T587 WeakPolarHBondContact O-CB 3.37Å; W583-T587 PolarHBondContact O-N 3.34Å; W583-T587 PolarHBondContact O-OG1 2.86Å; C584-T587 PolarHBondContact O-N 2.72Å; F585-T587 VanDerWaalsContact C-N 3.35Å; F585-T587 PolarHBondContact O-N 2.92Å; T587-L590 PolarHBondContact O-N 3.2Å; T587-F597 HydrophobicContact CG2-CD1 4.14Å; T587-L600 HydrophobicContact CG2-CB 3.97Å; T587-F601 HydrophobicContact CG2-CB 3.98Å; T587-F659 HydrophobicContact CG2-CD1 4.24Å; T587-F659 HydrophobicContact CG2-CE1 4.34Å |
| 588 | L | 95.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.7 | -176.4 | 72.8 | 0 | 0 | 0 | 111.8 | C584 F585 L586 L590 I591 F601 | C584-L588 WeakPolarHBondContact O-CB 3.42Å; C584-L588 PolarHBondContact O-N 2.66Å; F585-L588 WeakPolarHBondContact O-CB 3.44Å; F585-L588 PolarHBondContact O-N 3.13Å; L586-L588 VanDerWaalsContact C-N 3.32Å; L586-L588 PolarHBondContact O-N 3.16Å; L588-L590 VanDerWaalsContact C-N 3.26Å; L588-L590 PolarHBondContact O-N 2.86Å; L588-I591 HydrophobicContact CD1-CD1 3.74Å; L588-I591 WeakPolarHBondContact O-CB 3.31Å; L588-I591 VanDerWaalsContact O-CG1 3.23Å; L588-I591 WeakPolarHBondContact O-CG1 3.38Å; L588-I591 PolarHBondContact O-N 3.1Å; L588-F601 HydrophobicContact CB-CD2 3.83Å; L588-F601 HydrophobicContact CB-CE2 3.93Å; L588-F601 HydrophobicContact CB-CG 4.4Å; L588-F601 HydrophobicContact CD1-CD1 3.97Å; L588-F601 HydrophobicContact CD1-CD2 4.19Å; L588-F601 HydrophobicContact CD1-CE1 3.86Å; L588-F601 HydrophobicContact CD1-CE2 4.08Å; L588-F601 HydrophobicContact CD1-CG 4.13Å; L588-F601 HydrophobicContact CD1-CZ 3.92Å; L588-F601 HydrophobicContact CG-CE2 4.43Å |
| 589 | L | 95.6 | Very high | 94 | Very high | 82 Ų | 82 | 68.9 Ų | 68.9 | 43% | 0.429 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -31.5 | 177.4 | -66.6 | 177.3 | 0 | 0 | 0 | 112.5 | F585 L586 I591 F592 | F585-L589 HydrophobicContact CD1-CD1 4.14Å; F585-L589 HydrophobicContact CE1-CD1 3.59Å; F585-L589 HydrophobicContact CE1-CG 4.29Å; F585-L589 HydrophobicContact CZ-CD1 3.92Å; F585-L589 HydrophobicContact CZ-CD2 4.31Å; F585-L589 HydrophobicContact CZ-CG 4.28Å; F585-L589 WeakPolarHBondContact O-CG 3.49Å; F585-L589 PolarHBondContact O-N 3.32Å; F585-L589 VanDerWaalsContact O-N 3.12Å; L586-L589 PolarHBondContact O-N 2.65Å; L589-I591 PolarHBondContact O-N 3.08Å; L589-F592 WeakPolarHBondContact O-CD2 3.49Å; L589-F592 PolarHBondContact O-N 3.39Å |
| 590 | L | 94.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -71.6 | -10.5 | 179.6 | -67.7 | 172.3 | 0 | 0 | 0 | 113.7 | L586 T587 L588 F592 W593 R594 F597 F659 | L586-L590 WeakPolarHBondContact O-CG 3.23Å; L586-L590 PolarHBondContact O-N 3.38Å; T587-L590 PolarHBondContact O-N 3.2Å; L588-L590 VanDerWaalsContact C-N 3.26Å; L588-L590 PolarHBondContact O-N 2.86Å; L590-F592 PolarHBondContact O-N 3.32Å; L590-W593 HydrophobicContact CD2-CE3 4.47Å; L590-W593 WeakPolarHBondContact O-CB 3.4Å; L590-W593 PolarHBondContact O-N 3.4Å; L590-R594 PolarHBondContact O-N 3.4Å; L590-F597 HydrophobicContact CB-CB 4.21Å; L590-F597 HydrophobicContact CB-CD1 3.91Å; L590-F597 HydrophobicContact CB-CD2 3.64Å; L590-F597 HydrophobicContact CB-CE1 4.15Å; L590-F597 HydrophobicContact CB-CE2 3.91Å; L590-F597 HydrophobicContact CB-CG 3.65Å; L590-F597 HydrophobicContact CB-CZ 4.16Å; L590-F597 HydrophobicContact CD1-CD1 4.21Å; L590-F597 HydrophobicContact CD1-CE1 3.8Å; L590-F597 HydrophobicContact CD1-CZ 3.99Å; L590-F597 VanDerWaalsContact O-CD2 3.28Å; L590-F597 WeakPolarHBondContact O-CD2 3.24Å; L590-F659 HydrophobicContact CD1-CE1 3.85Å; L590-F659 HydrophobicContact CD1-CE2 4.37Å; L590-F659 HydrophobicContact CD1-CZ 3.46Å; L590-F659 VanDerWaalsContact CD1-CZ 3.46Å |
| 591 | I | 93.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -60.1 | -36.4 | 174.2 | -61.1 | 177 | 0 | 0 | 0 | 111.3 | L588 L589 W593 R594 F597 L598 | L588-I591 HydrophobicContact CD1-CD1 3.74Å; L588-I591 WeakPolarHBondContact O-CB 3.31Å; L588-I591 VanDerWaalsContact O-CG1 3.23Å; L588-I591 WeakPolarHBondContact O-CG1 3.38Å; L588-I591 PolarHBondContact O-N 3.1Å; L589-I591 PolarHBondContact O-N 3.08Å; I591-W593 PolarHBondContact O-N 3.41Å; I591-R594 CarbonylContact O-C 3.53Å; I591-R594 PolarHBondContact O-N 3.11Å; I591-F597 HydrophobicContact CG1-CB 3.98Å; I591-L598 HydrophobicContact CD1-CB 4.09Å; I591-L598 HydrophobicContact CD1-CD1 3.83Å; I591-L598 HydrophobicContact CG1-CB 4.38Å; I591-L598 HydrophobicContact CG2-CB 4.5Å |
| 592 | F | 92 | Very high | 93.9 | Very high | 188 Ų | 188 | 67.4 Ų | 67.4 | 83% | 0.825 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -64 | -23.5 | 176.3 | -66.2 | -69.6 | 0 | 0 | 0 | 112.7 | L589 L590 | L589-F592 WeakPolarHBondContact O-CD2 3.49Å; L589-F592 PolarHBondContact O-N 3.39Å; L590-F592 PolarHBondContact O-N 3.32Å |
| 593 | W | 87.6 | Confident | 93.8 | Very high | 126 Ų | 126 | 64.3 Ų | 64.3 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -48 | 175.1 | -171.9 | 45.5 | 0 | 0 | 0 | 111.7 | L590 I591 F597 V651 | L590-W593 HydrophobicContact CD2-CE3 4.47Å; L590-W593 WeakPolarHBondContact O-CB 3.4Å; L590-W593 PolarHBondContact O-N 3.4Å; I591-W593 PolarHBondContact O-N 3.41Å; W593-F597 AromaticContact CE3-CE2 3.85Å; W593-F597 HydrophobicContact CE3-CE2 3.85Å; W593-F597 HydrophobicContact CE3-CZ 4.46Å; W593-F597 HydrophobicContact CZ3-CE2 4.25Å; W593-V651 HydrophobicContact CH2-CG1 3.49Å; W593-V651 VanDerWaalsContact CH2-CG1 3.49Å; W593-V651 HydrophobicContact CZ2-CG1 3.98Å |
| 594 | R | 89.5 | Confident | 93.8 | Very high | 87 Ų | 87 | 63 Ų | 63 | 33% | 0.328 | 31% | 0.307 | S | S | . | . | trans | -145.1 | 134.4 | 179.2 | -62.7 | -68.3 | -157.7 | -158.3 | 4.1 | 112.1 | L590 I591 Y596 F597 D652 | L590-R594 PolarHBondContact O-N 3.4Å; I591-R594 CarbonylContact O-C 3.53Å; I591-R594 PolarHBondContact O-N 3.11Å; R594-Y596 VanDerWaalsContact C-N 3.32Å; R594-Y596 HydrophobicContact CB-CD1 3.85Å; R594-Y596 HydrophobicContact CB-CD2 4.49Å; R594-Y596 HydrophobicContact CB-CE1 3.39Å; R594-Y596 HydrophobicContact CB-CE2 4.08Å; R594-Y596 HydrophobicContact CB-CG 4.38Å; R594-Y596 HydrophobicContact CG-CE1 3.66Å; R594-Y596 PolarHBondContact O-N 2.9Å; R594-F597 HydrophobicContact CB-CD2 3.81Å; R594-F597 HydrophobicContact CB-CE2 4.01Å; R594-F597 HydrophobicContact CG-CE2 4.46Å; R594-F597 WeakPolarHBondContact O-CB 3.37Å; R594-F597 WeakPolarHBondContact O-CD2 3.17Å; R594-F597 PolarHBondContact O-N 3.48Å; R594-D652 IonicContact CZ-OD1 3.69Å; R594-D652 IonicContact CZ-OD2 3.52Å; R594-D652 IonicContact NE-OD1 2.85Å; R594-D652 PolarHBondContact NE-OD1 3.43Å; R594-D652 IonicContact NE-OD2 3.65Å; R594-D652 IonicContact NH2-OD1 2.81Å; R594-D652 PolarHBondContact NH2-OD1 2.76Å; R594-D652 IonicContact NH2-OD2 3.42Å; R594-D652 PolarHBondContact NH2-OD2 3.42Å | ||
| 595 | T | 90.7 | Very high | 93.9 | Very high | 121 Ų | 121 | 64.1 Ų | 64.1 | 74% | 0.742 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.7 | -175 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | F597 L598 | T595-F597 PolarHBondContact O-N 3.28Å; T595-L598 VanDerWaalsContact O-CB 3.26Å; T595-L598 WeakPolarHBondContact O-CB 3.41Å; T595-L598 PolarHBondContact O-N 3.17Å |
| 596 | Y | 90.9 | Very high | 93.9 | Very high | 31 Ų | 31 | 61 Ų | 61 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.9 | 177.5 | 59.1 | -108.7 | 0 | 0 | 0 | 113.2 | R594 L598 L599 L600 V646 D652 S655 V656 | R594-Y596 VanDerWaalsContact C-N 3.32Å; R594-Y596 HydrophobicContact CB-CD1 3.85Å; R594-Y596 HydrophobicContact CB-CD2 4.49Å; R594-Y596 HydrophobicContact CB-CE1 3.39Å; R594-Y596 HydrophobicContact CB-CE2 4.08Å; R594-Y596 HydrophobicContact CB-CG 4.38Å; R594-Y596 HydrophobicContact CG-CE1 3.66Å; R594-Y596 PolarHBondContact O-N 2.9Å; Y596-L598 PolarHBondContact O-N 3.32Å; Y596-L599 PolarHBondContact O-N 3.27Å; Y596-L600 HydrophobicContact CD2-CD1 4.34Å; Y596-L600 PolarHBondContact O-N 3.22Å; Y596-V646 HydrophobicContact CD1-CG1 3.64Å; Y596-V646 HydrophobicContact CE1-CG1 3.81Å; Y596-V646 HydrophobicContact CG-CG1 4.14Å; Y596-V646 HydrophobicContact CG-CG2 4.24Å; Y596-D652 HydrophobicContact CE1-CB 4.04Å; Y596-D652 WeakPolarHBondContact OH-CA 3.46Å; Y596-D652 PolarHBondContact OH-OD1 3.25Å; Y596-S655 PolarHBondContact OH-OG 3Å; Y596-V656 HydrophobicContact CD2-CG2 3.6Å; Y596-V656 HydrophobicContact CE2-CG2 3.49Å; Y596-V656 VanDerWaalsContact CE2-CG2 3.49Å; Y596-V656 HydrophobicContact CG-CG2 4.28Å |
| 597 | F | 94.2 | Very high | 94 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -19.9 | 172 | -76.3 | -70.7 | 0 | 0 | 0 | 112.8 | T587 L590 I591 W593 R594 T595 L599 L600 F601 F659 | T587-F597 HydrophobicContact CG2-CD1 4.14Å; L590-F597 HydrophobicContact CB-CB 4.21Å; L590-F597 HydrophobicContact CB-CD1 3.91Å; L590-F597 HydrophobicContact CB-CD2 3.64Å; L590-F597 HydrophobicContact CB-CE1 4.15Å; L590-F597 HydrophobicContact CB-CE2 3.91Å; L590-F597 HydrophobicContact CB-CG 3.65Å; L590-F597 HydrophobicContact CB-CZ 4.16Å; L590-F597 HydrophobicContact CD1-CD1 4.21Å; L590-F597 HydrophobicContact CD1-CE1 3.8Å; L590-F597 HydrophobicContact CD1-CZ 3.99Å; L590-F597 VanDerWaalsContact O-CD2 3.28Å; L590-F597 WeakPolarHBondContact O-CD2 3.24Å; I591-F597 HydrophobicContact CG1-CB 3.98Å; W593-F597 AromaticContact CE3-CE2 3.85Å; W593-F597 HydrophobicContact CE3-CE2 3.85Å; W593-F597 HydrophobicContact CE3-CZ 4.46Å; W593-F597 HydrophobicContact CZ3-CE2 4.25Å; R594-F597 HydrophobicContact CB-CD2 3.81Å; R594-F597 HydrophobicContact CB-CE2 4.01Å; R594-F597 HydrophobicContact CG-CE2 4.46Å; R594-F597 WeakPolarHBondContact O-CB 3.37Å; R594-F597 WeakPolarHBondContact O-CD2 3.17Å; R594-F597 PolarHBondContact O-N 3.48Å; T595-F597 PolarHBondContact O-N 3.28Å; F597-L599 VanDerWaalsContact C-N 3.34Å; F597-L599 PolarHBondContact O-N 3.39Å; F597-L600 HydrophobicContact CD1-CD1 3.68Å; F597-L600 HydrophobicContact CE1-CD1 3.98Å; F597-L600 PolarHBondContact O-N 3Å; F597-F601 VanDerWaalsContact O-CB 3.29Å; F597-F601 WeakPolarHBondContact O-CB 3.32Å; F597-F601 PolarHBondContact O-N 2.62Å; F597-F659 HydrophobicContact CD1-CD1 4.41Å; F597-F659 HydrophobicContact CD1-CE1 4.48Å; F597-F659 HydrophobicContact CE1-CD1 4.03Å; F597-F659 HydrophobicContact CE1-CD2 4.13Å; F597-F659 HydrophobicContact CE1-CE1 4.02Å; F597-F659 HydrophobicContact CE1-CE2 4.11Å; F597-F659 HydrophobicContact CE1-CG 4.08Å; F597-F659 HydrophobicContact CE1-CZ 4.05Å |
| 598 | L | 94.7 | Very high | 94.1 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.9 | 177.9 | 63.3 | 0 | 0 | 0 | 110.8 | I591 T595 Y596 F601 V602 | I591-L598 HydrophobicContact CD1-CB 4.09Å; I591-L598 HydrophobicContact CD1-CD1 3.83Å; I591-L598 HydrophobicContact CG1-CB 4.38Å; I591-L598 HydrophobicContact CG2-CB 4.5Å; T595-L598 VanDerWaalsContact O-CB 3.26Å; T595-L598 WeakPolarHBondContact O-CB 3.41Å; T595-L598 PolarHBondContact O-N 3.17Å; Y596-L598 PolarHBondContact O-N 3.32Å; L598-F601 PolarHBondContact O-N 3.29Å; L598-V602 VanDerWaalsContact O-CG2 3.32Å; L598-V602 WeakPolarHBondContact O-CG2 3.47Å; L598-V602 PolarHBondContact O-N 3.36Å |
| 599 | L | 93.1 | Very high | 94.1 | Very high | 77 Ų | 77 | 59 Ų | 59 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 179 | -169.8 | 62.5 | 0 | 0 | 0 | 111.6 | Y596 F597 F601 V602 M603 F642 | Y596-L599 PolarHBondContact O-N 3.27Å; F597-L599 VanDerWaalsContact C-N 3.34Å; F597-L599 PolarHBondContact O-N 3.39Å; L599-F601 VanDerWaalsContact C-N 3.32Å; L599-F601 PolarHBondContact O-N 3.01Å; L599-V602 PolarHBondContact O-N 2.88Å; L599-M603 HydrophobicContact CG-CG 4.49Å; L599-M603 HydrophobicContact CG-SD 4.15Å; L599-M603 WeakPolarHBondContact O-CB 3.29Å; L599-M603 VanDerWaalsContact O-CG 3.28Å; L599-M603 WeakPolarHBondContact O-CG 3.42Å; L599-M603 PolarHBondContact O-N 3.02Å; L599-F642 HydrophobicContact CB-CE2 4.28Å; L599-F642 HydrophobicContact CB-CZ 4.2Å; L599-F642 HydrophobicContact CD2-CD2 3.98Å; L599-F642 HydrophobicContact CD2-CE2 3.42Å; L599-F642 VanDerWaalsContact CD2-CE2 3.42Å; L599-F642 HydrophobicContact CD2-CZ 4.17Å; L599-F642 HydrophobicContact CG-CE2 4.23Å |
| 600 | L | 94.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 173.7 | -72.5 | 169 | 0 | 0 | 0 | 111.7 | T587 Y596 F597 M603 Q604 F642 F659 | T587-L600 HydrophobicContact CG2-CB 3.97Å; Y596-L600 HydrophobicContact CD2-CD1 4.34Å; Y596-L600 PolarHBondContact O-N 3.22Å; F597-L600 HydrophobicContact CD1-CD1 3.68Å; F597-L600 HydrophobicContact CE1-CD1 3.98Å; F597-L600 PolarHBondContact O-N 3Å; L600-M603 PolarHBondContact O-N 2.99Å; L600-Q604 VanDerWaalsContact O-CB 3.28Å; L600-Q604 WeakPolarHBondContact O-CB 3.19Å; L600-Q604 PolarHBondContact O-N 2.95Å; L600-F642 HydrophobicContact CD1-CE1 3.91Å; L600-F642 HydrophobicContact CD2-CD1 3.57Å; L600-F642 HydrophobicContact CD2-CE1 3.5Å; L600-F642 VanDerWaalsContact CD2-CE1 3.5Å; L600-F642 HydrophobicContact CG-CD1 4.08Å; L600-F642 HydrophobicContact CG-CE1 3.44Å; L600-F642 VanDerWaalsContact CG-CE1 3.44Å; L600-F642 HydrophobicContact CG-CZ 4.23Å; L600-F659 HydrophobicContact CD1-CB 3.74Å; L600-F659 HydrophobicContact CD1-CG 4.34Å; L600-F659 HydrophobicContact CD2-CB 4.15Å; L600-F659 HydrophobicContact CG-CB 4.49Å |
| 601 | F | 96.2 | Very high | 94.2 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 175.2 | 168.5 | -103.8 | 0 | 0 | 0 | 111.2 | C584 T587 L588 F597 L598 L599 M603 Q604 A605 | C584-F601 HydrophobicContact CB-CE2 4.21Å; C584-F601 WeakPolarHBondContact O-CD2 3.46Å; T587-F601 HydrophobicContact CG2-CB 3.98Å; L588-F601 HydrophobicContact CB-CD2 3.83Å; L588-F601 HydrophobicContact CB-CE2 3.93Å; L588-F601 HydrophobicContact CB-CG 4.4Å; L588-F601 HydrophobicContact CD1-CD1 3.97Å; L588-F601 HydrophobicContact CD1-CD2 4.19Å; L588-F601 HydrophobicContact CD1-CE1 3.86Å; L588-F601 HydrophobicContact CD1-CE2 4.08Å; L588-F601 HydrophobicContact CD1-CG 4.13Å; L588-F601 HydrophobicContact CD1-CZ 3.92Å; L588-F601 HydrophobicContact CG-CE2 4.43Å; F597-F601 VanDerWaalsContact O-CB 3.29Å; F597-F601 WeakPolarHBondContact O-CB 3.32Å; F597-F601 PolarHBondContact O-N 2.62Å; L598-F601 PolarHBondContact O-N 3.29Å; L599-F601 VanDerWaalsContact C-N 3.32Å; L599-F601 PolarHBondContact O-N 3.01Å; F601-M603 PolarHBondContact O-N 3.09Å; F601-Q604 PolarHBondContact O-N 3.18Å; F601-A605 WeakPolarHBondContact O-CB 3.39Å; F601-A605 PolarHBondContact O-N 3.41Å |
| 602 | V | 96.2 | Very high | 94.2 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 38% | 0.376 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 177.8 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L598 L599 Q604 A605 I606 | L598-V602 VanDerWaalsContact O-CG2 3.32Å; L598-V602 WeakPolarHBondContact O-CG2 3.47Å; L598-V602 PolarHBondContact O-N 3.36Å; L599-V602 PolarHBondContact O-N 2.88Å; V602-Q604 PolarHBondContact O-N 2.73Å; V602-A605 PolarHBondContact O-N 2.92Å; V602-I606 HydrophobicContact CG1-CD1 3.86Å; V602-I606 WeakPolarHBondContact O-CG1 3.48Å; V602-I606 PolarHBondContact O-N 2.75Å |
| 603 | M | 95.5 | Very high | 94.3 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.2 | -69.8 | 173.7 | 67.6 | 0 | 0 | 112 | L599 L600 F601 I606 A607 L635 M638 L663 | L599-M603 HydrophobicContact CG-CG 4.49Å; L599-M603 HydrophobicContact CG-SD 4.15Å; L599-M603 WeakPolarHBondContact O-CB 3.29Å; L599-M603 VanDerWaalsContact O-CG 3.28Å; L599-M603 WeakPolarHBondContact O-CG 3.42Å; L599-M603 PolarHBondContact O-N 3.02Å; L600-M603 PolarHBondContact O-N 2.99Å; F601-M603 PolarHBondContact O-N 3.09Å; M603-I606 PolarHBondContact O-N 3.17Å; M603-A607 WeakPolarHBondContact O-CB 3.41Å; M603-A607 PolarHBondContact O-N 3.43Å; M603-L635 HydrophobicContact CB-CD2 4Å; M603-L635 HydrophobicContact CE-CD2 4.33Å; M603-L635 HydrophobicContact CG-CD2 4.12Å; M603-M638 HydrophobicContact CE-CB 3.51Å; M603-L663 HydrophobicContact CB-CD2 3.81Å; M603-L663 HydrophobicContact CE-CD2 3.58Å |
| 604 | Q | 96 | Very high | 94.4 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 177.6 | -172.2 | 68.3 | 30.7 | 0 | 0 | 112.2 | C584 L600 F601 V602 A607 T608 L663 | C584-Q604 VanDerWaalsContact SG-CG 3.51Å; L600-Q604 VanDerWaalsContact O-CB 3.28Å; L600-Q604 WeakPolarHBondContact O-CB 3.19Å; L600-Q604 PolarHBondContact O-N 2.95Å; F601-Q604 PolarHBondContact O-N 3.18Å; V602-Q604 PolarHBondContact O-N 2.73Å; Q604-A607 PolarHBondContact O-N 3.09Å; Q604-T608 WeakPolarHBondContact O-CB 3.33Å; Q604-T608 PolarHBondContact O-N 2.99Å; Q604-T608 PolarHBondContact O-OG1 2.79Å; Q604-L663 HydrophobicContact CB-CD1 4.36Å |
| 605 | A | 96.9 | Very high | 94.5 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | F601 V602 T608 L609 | F601-A605 WeakPolarHBondContact O-CB 3.39Å; F601-A605 PolarHBondContact O-N 3.41Å; V602-A605 PolarHBondContact O-N 2.92Å; A605-T608 PolarHBondContact O-N 3.14Å; A605-L609 PolarHBondContact O-N 3.1Å |
| 606 | I | 96.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 29% | 0.292 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 174.7 | -64.6 | 167.6 | 0 | 0 | 0 | 110.9 | V602 M603 T608 L609 A610 L631 L635 | V602-I606 HydrophobicContact CG1-CD1 3.86Å; V602-I606 WeakPolarHBondContact O-CG1 3.48Å; V602-I606 PolarHBondContact O-N 2.75Å; M603-I606 PolarHBondContact O-N 3.17Å; I606-T608 VanDerWaalsContact C-N 3.32Å; I606-T608 PolarHBondContact O-N 3.41Å; I606-L609 PolarHBondContact O-N 3.47Å; I606-A610 PolarHBondContact O-N 3.16Å; I606-L631 HydrophobicContact CG2-CD1 3.93Å; I606-L631 HydrophobicContact CG2-CD2 3.25Å; I606-L631 HydrophobicContact CG2-CG 3.64Å; I606-L635 HydrophobicContact CB-CD1 4.46Å; I606-L635 HydrophobicContact CG2-CD1 3.98Å |
| 607 | A | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | M603 Q604 L609 A610 I611 L635 L663 L667 | M603-A607 WeakPolarHBondContact O-CB 3.41Å; M603-A607 PolarHBondContact O-N 3.43Å; Q604-A607 PolarHBondContact O-N 3.09Å; A607-L609 VanDerWaalsContact C-N 3.34Å; A607-L609 PolarHBondContact O-N 3.31Å; A607-A610 WeakPolarHBondContact O-CB 3.49Å; A607-A610 PolarHBondContact O-N 3.42Å; A607-I611 WeakPolarHBondContact O-CB 3.46Å; A607-I611 WeakPolarHBondContact O-CD1 3.38Å; A607-I611 WeakPolarHBondContact O-CG1 3.37Å; A607-I611 PolarHBondContact O-N 2.86Å; A607-L635 HydrophobicContact CB-CD1 4.02Å; A607-L663 HydrophobicContact CB-CD1 3.38Å; A607-L667 HydrophobicContact CB-CD2 3.73Å; A607-L667 HydrophobicContact CB-CG 4.32Å |
| 608 | T | 96.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | C580 F581 C584 Q604 A605 I606 I611 S612 | C580-T608 HydrophobicContact CB-CG2 3.68Å; C580-T608 WeakPolarHBondContact CB-OG1 3.03Å; F581-T608 HydrophobicContact CD1-CG2 4.38Å; F581-T608 HydrophobicContact CE1-CG2 4.17Å; F581-T608 HydrophobicContact CZ-CG2 4.27Å; C584-T608 PolarHBondContact SG-OG1 3.2Å; C584-T608 VanDerWaalsContact SG-OG1 3.36Å; Q604-T608 WeakPolarHBondContact O-CB 3.33Å; Q604-T608 PolarHBondContact O-N 2.99Å; Q604-T608 PolarHBondContact O-OG1 2.79Å; A605-T608 PolarHBondContact O-N 3.14Å; I606-T608 VanDerWaalsContact C-N 3.32Å; I606-T608 PolarHBondContact O-N 3.41Å; T608-I611 PolarHBondContact O-N 3.48Å; T608-S612 PolarHBondContact O-N 3.45Å |
| 609 | L | 95.7 | Very high | 93.3 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 173.6 | -177.3 | 63.8 | 0 | 0 | 0 | 111.3 | A605 I606 A607 S612 Y613 | A605-L609 PolarHBondContact O-N 3.1Å; I606-L609 PolarHBondContact O-N 3.47Å; A607-L609 VanDerWaalsContact C-N 3.34Å; A607-L609 PolarHBondContact O-N 3.31Å; L609-S612 WeakPolarHBondContact O-CB 3.45Å; L609-S612 PolarHBondContact O-N 2.92Å; L609-S612 PolarHBondContact O-OG 2.96Å; L609-Y613 HydrophobicContact CG-CE2 4.43Å; L609-Y613 VanDerWaalsContact O-CD2 3.24Å; L609-Y613 WeakPolarHBondContact O-CD2 3.35Å |
| 610 | A | 95.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I606 A607 S612 Y613 V628 L761 | I606-A610 PolarHBondContact O-N 3.16Å; A607-A610 WeakPolarHBondContact O-CB 3.49Å; A607-A610 PolarHBondContact O-N 3.42Å; A610-S612 PolarHBondContact O-N 2.98Å; A610-Y613 WeakPolarHBondContact O-CB 3.5Å; A610-Y613 PolarHBondContact O-N 3.17Å; A610-Y613 VanDerWaalsContact O-N 3.17Å; A610-V628 HydrophobicContact CB-CG1 3.83Å; A610-L761 HydrophobicContact CB-CD2 4.32Å; A610-L761 WeakPolarHBondContact O-CD2 3.35Å |
| 611 | I | 95.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 178.3 | -66.8 | 161.5 | 0 | 0 | 0 | 111.2 | V576 L577 A607 T608 Y613 V614 P615 T666 L667 L761 | V576-I611 HydrophobicContact CG1-CD1 4.43Å; V576-I611 HydrophobicContact CG1-CG2 4.01Å; L577-I611 HydrophobicContact CD2-CB 4.26Å; L577-I611 HydrophobicContact CD2-CG2 3.78Å; L577-I611 HydrophobicContact CG-CG2 4.16Å; A607-I611 WeakPolarHBondContact O-CB 3.46Å; A607-I611 WeakPolarHBondContact O-CD1 3.38Å; A607-I611 WeakPolarHBondContact O-CG1 3.37Å; A607-I611 PolarHBondContact O-N 2.86Å; T608-I611 PolarHBondContact O-N 3.48Å; I611-Y613 PolarHBondContact O-N 3.29Å; I611-Y613 VanDerWaalsContact O-N 3.15Å; I611-V614 WeakPolarHBondContact O-CB 3.13Å; I611-V614 WeakPolarHBondContact O-CG2 3.18Å; I611-V614 PolarHBondContact O-N 2.96Å; I611-P615 WeakPolarHBondContact O-CD 3.38Å; I611-T666 HydrophobicContact CD1-CG2 3.87Å; I611-L667 HydrophobicContact CD1-CD2 4.38Å; I611-L667 HydrophobicContact CG1-CD2 4.31Å; I611-L761 HydrophobicContact CG1-CD1 3.66Å |
| 612 | S | 94.6 | Very high | 91.5 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -19.6 | 179 | 79.1 | 0 | 0 | 0 | 0 | 114.4 | T608 L609 A610 | T608-S612 PolarHBondContact O-N 3.45Å; L609-S612 WeakPolarHBondContact O-CB 3.45Å; L609-S612 PolarHBondContact O-N 2.92Å; L609-S612 PolarHBondContact O-OG 2.96Å; A610-S612 PolarHBondContact O-N 2.98Å |
| 613 | Y | 92.6 | Very high | 91.1 | Very high | 85 Ų | 85 | 54.6 Ų | 54.6 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.6 | -23.7 | 173.6 | -72.9 | -86.9 | 0 | 0 | 0 | 113.3 | L609 A610 I611 A617 W627 V628 | L609-Y613 HydrophobicContact CG-CE2 4.43Å; L609-Y613 VanDerWaalsContact O-CD2 3.24Å; L609-Y613 WeakPolarHBondContact O-CD2 3.35Å; A610-Y613 WeakPolarHBondContact O-CB 3.5Å; A610-Y613 PolarHBondContact O-N 3.17Å; A610-Y613 VanDerWaalsContact O-N 3.17Å; I611-Y613 PolarHBondContact O-N 3.29Å; I611-Y613 VanDerWaalsContact O-N 3.15Å; Y613-A617 WeakPolarHBondContact O-CB 3.42Å; Y613-A617 PolarHBondContact O-N 3.45Å; Y613-A617 VanDerWaalsContact O-N 3.07Å; Y613-W627 HydrophobicContact CE2-CH2 4.13Å; Y613-W627 HydrophobicContact CE2-CZ2 4.47Å; Y613-V628 HydrophobicContact CD2-CG2 4.25Å; Y613-V628 HydrophobicContact CE2-CG2 4.25Å |
| 614 | V | 91.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -45.2 | -170.1 | -171.6 | 0 | 0 | 0 | 0 | 113.5 | Y573 I611 A616 A617 V618 I624 K760 L761 | Y573-V614 HydrophobicContact CD1-CB 4.42Å; Y573-V614 HydrophobicContact CD1-CG1 4.17Å; Y573-V614 HydrophobicContact CD2-CG1 4.21Å; Y573-V614 HydrophobicContact CE1-CB 4.25Å; Y573-V614 HydrophobicContact CE1-CG1 3.59Å; Y573-V614 HydrophobicContact CE2-CG1 3.62Å; Y573-V614 HydrophobicContact CG-CG1 4.45Å; Y573-V614 WeakPolarHBondContact OH-CG1 3.3Å; I611-V614 WeakPolarHBondContact O-CB 3.13Å; I611-V614 WeakPolarHBondContact O-CG2 3.18Å; I611-V614 PolarHBondContact O-N 2.96Å; V614-A616 VanDerWaalsContact C-N 3.34Å; V614-A616 PolarHBondContact O-N 3.41Å; V614-A617 PolarHBondContact O-N 3.39Å; V614-V618 HydrophobicContact CG1-CG2 4.03Å; V614-V618 WeakPolarHBondContact O-CG2 3.48Å; V614-V618 PolarHBondContact O-N 2.92Å; V614-I624 HydrophobicContact CG2-CD1 4Å; V614-K760 HydrophobicContact CG1-CB 4.41Å; V614-K760 HydrophobicContact CG1-CG 4.35Å; V614-L761 HydrophobicContact CG2-CD1 4.05Å; V614-L761 HydrophobicContact CG2-CD2 3.46Å; V614-L761 VanDerWaalsContact CG2-CD2 3.46Å; V614-L761 HydrophobicContact CG2-CG 3.56Å |
| 615 | P | 90.8 | Very high | 90.8 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 179.1 | -22.5 | 30.8 | 0 | 0 | 0 | 113 | Y573 L577 I611 V618 S619 | Y573-P615 HydrophobicContact CG-CG 4.34Å; L577-P615 HydrophobicContact CD1-CG 4.01Å; I611-P615 WeakPolarHBondContact O-CD 3.38Å; P615-V618 PolarHBondContact O-N 3.18Å; P615-S619 VanDerWaalsContact O-CB 3.27Å; P615-S619 WeakPolarHBondContact O-CB 3.41Å; P615-S619 PolarHBondContact O-N 2.91Å |
| 616 | A | 87.8 | Confident | 90.5 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V614 V618 S619 Y620 | V614-A616 VanDerWaalsContact C-N 3.34Å; V614-A616 PolarHBondContact O-N 3.41Å; A616-V618 VanDerWaalsContact C-N 3.3Å; A616-V618 PolarHBondContact O-N 2.9Å; A616-S619 PolarHBondContact O-N 3.4Å; A616-Y620 HydrophobicContact CB-CD2 4.25Å; A616-Y620 HydrophobicContact CB-CE2 4.5Å; A616-Y620 WeakPolarHBondContact O-CB 3.25Å; A616-Y620 VanDerWaalsContact O-CD2 3.29Å; A616-Y620 WeakPolarHBondContact O-CD2 3.25Å; A616-Y620 PolarHBondContact O-N 3.44Å |
| 617 | A | 87 | Confident | 90.4 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y613 V614 Q621 E622 I624 | Y613-A617 WeakPolarHBondContact O-CB 3.42Å; Y613-A617 PolarHBondContact O-N 3.45Å; Y613-A617 VanDerWaalsContact O-N 3.07Å; V614-A617 PolarHBondContact O-N 3.39Å; A617-Q621 CarbonylContact O-C 3.57Å; A617-Q621 VanDerWaalsContact O-CA 3.27Å; A617-Q621 WeakPolarHBondContact O-CA 3.34Å; A617-Q621 PolarHBondContact O-N 3Å; A617-E622 PolarHBondContact O-N 3.31Å; A617-E622 VanDerWaalsContact O-N 3.1Å; A617-I624 HydrophobicContact CB-CD1 4.13Å; A617-I624 HydrophobicContact CB-CG1 3.56Å |
| 618 | V | 84.2 | Confident | 90.4 | Very high | 39 Ų | 39 | 63.3 Ų | 63.3 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -77.4 | -43.3 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | Y573 V614 P615 A616 Y757 | Y573-V618 HydrophobicContact CE2-CG2 4.09Å; V614-V618 HydrophobicContact CG1-CG2 4.03Å; V614-V618 WeakPolarHBondContact O-CG2 3.48Å; V614-V618 PolarHBondContact O-N 2.92Å; P615-V618 PolarHBondContact O-N 3.18Å; A616-V618 VanDerWaalsContact C-N 3.3Å; A616-V618 PolarHBondContact O-N 2.9Å; V618-Y757 HydrophobicContact CG1-CD1 4.35Å; V618-Y757 HydrophobicContact CG1-CE1 3.78Å; V618-Y757 HydrophobicContact CG2-CD1 4.04Å; V618-Y757 HydrophobicContact CG2-CE1 4.18Å |
| 619 | S | 86.5 | Confident | 90.4 | Very high | 89 Ų | 89 | 63.7 Ų | 63.7 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.7 | -38.5 | -177.2 | -170.9 | 0 | 0 | 0 | 0 | 113.3 | P615 A616 | P615-S619 VanDerWaalsContact O-CB 3.27Å; P615-S619 WeakPolarHBondContact O-CB 3.41Å; P615-S619 PolarHBondContact O-N 2.91Å; A616-S619 PolarHBondContact O-N 3.4Å |
| 620 | Y | 84.8 | Confident | 90.4 | Very high | 165 Ų | 165 | 66 Ų | 66 | 65% | 0.647 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -101.7 | 5.5 | -177.9 | -58 | -66.5 | 0 | 0 | 0 | 113 | A616 E622 | A616-Y620 HydrophobicContact CB-CD2 4.25Å; A616-Y620 HydrophobicContact CB-CE2 4.5Å; A616-Y620 WeakPolarHBondContact O-CB 3.25Å; A616-Y620 VanDerWaalsContact O-CD2 3.29Å; A616-Y620 WeakPolarHBondContact O-CD2 3.25Å; A616-Y620 PolarHBondContact O-N 3.44Å; Y620-E622 PolarHBondContact O-N 2.85Å; Y620-E622 VanDerWaalsContact O-N 3.11Å |
| 621 | Q | 79.2 | Confident | 90.4 | Very high | 178 Ų | 178 | 68.1 Ų | 68.1 | 83% | 0.832 | 35% | 0.353 | S | S | * | . | trans | 53.9 | 25.8 | -174.6 | -61.9 | -179.1 | -16.4 | 0 | 0 | 113.8 | A617 | A617-Q621 CarbonylContact O-C 3.57Å; A617-Q621 VanDerWaalsContact O-CA 3.27Å; A617-Q621 WeakPolarHBondContact O-CA 3.34Å; A617-Q621 PolarHBondContact O-N 3Å | ||
| 622 | E | 82.5 | Confident | 90.5 | Very high | 120 Ų | 120 | 68 Ų | 68 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 157.3 | 178.4 | -69.5 | -175.5 | 171.3 | 0 | 0 | 112.1 | A617 Y620 | A617-E622 PolarHBondContact O-N 3.31Å; A617-E622 VanDerWaalsContact O-N 3.1Å; Y620-E622 PolarHBondContact O-N 2.85Å; Y620-E622 VanDerWaalsContact O-N 3.11Å |
| 623 | T | 88.2 | Confident | 90.6 | Very high | 102 Ų | 102 | 69.8 Ų | 69.8 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 136.5 | 173.4 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | N764 | T623-N764 HydrophobicContact CG2-CB 4.44Š|
| 624 | I | 90.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 138.2 | 171.6 | -64.1 | -173.3 | 0 | 0 | 0 | 108.7 | V614 A617 V628 H629 K760 L761 N764 | V614-I624 HydrophobicContact CG2-CD1 4Å; A617-I624 HydrophobicContact CB-CD1 4.13Å; A617-I624 HydrophobicContact CB-CG1 3.56Å; I624-V628 HydrophobicContact CG2-CB 3.73Å; I624-V628 HydrophobicContact CG2-CG1 3.78Å; I624-V628 HydrophobicContact CG2-CG2 4.28Å; I624-H629 PolarHBondContact O-NE2 3.32Å; I624-K760 HydrophobicContact CD1-CG 3.8Å; I624-L761 HydrophobicContact CD1-CD2 4.13Å; I624-N764 PolarHBondContact N-OD1 2.92Å; I624-N764 PolarHBondContact O-ND2 3.1Å |
| 625 | P | 93.6 | Very high | 91.2 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 141 | 178.9 | -24.9 | 33.5 | 0 | 0 | 0 | 112.9 | W627 V628 H629 | P625-W627 VanDerWaalsContact C-N 3.27Å; P625-W627 HydrophobicContact CB-CG 4.36Å; P625-W627 PolarHBondContact O-N 2.92Å; P625-V628 HydrophobicContact CB-CG2 4.14Å; P625-V628 HydrophobicContact CG-CG2 4.34Å; P625-V628 WeakPolarHBondContact O-CB 3.48Å; P625-V628 PolarHBondContact O-N 3.16Å; P625-H629 PolarHBondContact O-N 3.31Å |
| 626 | T | 91.6 | Very high | 91.5 | Very high | 113 Ų | 113 | 67.5 Ų | 67.5 | 69% | 0.693 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.5 | -32.6 | -175.6 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | V628 H629 F630 | T626-V628 VanDerWaalsContact C-N 3.28Å; T626-V628 PolarHBondContact O-N 3.45Å; T626-H629 WeakPolarHBondContact O-CB 3.32Å; T626-H629 PolarHBondContact O-N 3.49Å; T626-F630 PolarHBondContact O-N 3.49Å; T626-F630 VanDerWaalsContact O-N 3.1Å |
| 627 | W | 94.4 | Very high | 91.9 | Very high | 130 Ų | 130 | 68 Ų | 68 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -30.6 | 176 | 65.7 | -97.3 | 0 | 0 | 0 | 112.4 | Y613 P625 F630 L631 | Y613-W627 HydrophobicContact CE2-CH2 4.13Å; Y613-W627 HydrophobicContact CE2-CZ2 4.47Å; P625-W627 VanDerWaalsContact C-N 3.27Å; P625-W627 HydrophobicContact CB-CG 4.36Å; P625-W627 PolarHBondContact O-N 2.92Å; W627-F630 PolarHBondContact O-N 3.44Å; W627-L631 HydrophobicContact CZ3-CD2 4.31Å; W627-L631 WeakPolarHBondContact O-CB 3.36Å; W627-L631 PolarHBondContact O-N 3.41Å |
| 628 | V | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | A610 Y613 I624 P625 T626 F630 L631 C632 L761 | A610-V628 HydrophobicContact CB-CG1 3.83Å; Y613-V628 HydrophobicContact CD2-CG2 4.25Å; Y613-V628 HydrophobicContact CE2-CG2 4.25Å; I624-V628 HydrophobicContact CG2-CB 3.73Å; I624-V628 HydrophobicContact CG2-CG1 3.78Å; I624-V628 HydrophobicContact CG2-CG2 4.28Å; P625-V628 HydrophobicContact CB-CG2 4.14Å; P625-V628 HydrophobicContact CG-CG2 4.34Å; P625-V628 WeakPolarHBondContact O-CB 3.48Å; P625-V628 PolarHBondContact O-N 3.16Å; T626-V628 VanDerWaalsContact C-N 3.28Å; T626-V628 PolarHBondContact O-N 3.45Å; V628-F630 PolarHBondContact O-N 3.45Å; V628-L631 WeakPolarHBondContact O-CB 3.48Å; V628-L631 PolarHBondContact O-N 3Å; V628-C632 PolarHBondContact O-N 2.98Å; V628-C632 PolarHBondContact O-SG 3.2Å; V628-L761 HydrophobicContact CG1-CD2 4.24Å |
| 629 | H | 95.2 | Very high | 92.7 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 174.8 | -61.2 | -45.4 | 0 | 0 | 0 | 111.7 | I624 P625 T626 L631 C632 W633 K760 L761 N764 | I624-H629 PolarHBondContact O-NE2 3.32Å; P625-H629 PolarHBondContact O-N 3.31Å; T626-H629 WeakPolarHBondContact O-CB 3.32Å; T626-H629 PolarHBondContact O-N 3.49Å; H629-L631 VanDerWaalsContact C-N 3.28Å; H629-L631 PolarHBondContact O-N 3.26Å; H629-C632 PolarHBondContact O-N 2.85Å; H629-W633 PolarHBondContact O-N 3.46Å; H629-K760 PolarHBondContact CE1-O 2.87Å; H629-K760 VanDerWaalsContact CE1-O 3.24Å; H629-L761 WeakPolarHBondContact CA-O 3.43Å; H629-L761 VanDerWaalsContact ND1-C 3.32Å; H629-L761 PolarHBondContact ND1-O 3.23Å; H629-N764 VanDerWaalsContact NE2-CG 3.26Å; H629-N764 PolarHBondContact NE2-ND2 3.43Å; H629-N764 PolarHBondContact NE2-OD1 2.74Å |
| 630 | F | 95.7 | Very high | 93.1 | Very high | 144 Ų | 144 | 68.2 Ų | 68.2 | 63% | 0.632 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.9 | -42.8 | 177.8 | -176.1 | -107.7 | 0 | 0 | 0 | 111.7 | T626 W627 V628 W633 I634 | T626-F630 PolarHBondContact O-N 3.49Å; T626-F630 VanDerWaalsContact O-N 3.1Å; W627-F630 PolarHBondContact O-N 3.44Å; V628-F630 PolarHBondContact O-N 3.45Å; F630-W633 PolarHBondContact O-N 3.3Å; F630-I634 HydrophobicContact CD1-CD1 3.7Å; F630-I634 HydrophobicContact CE1-CD1 3.3Å; F630-I634 HydrophobicContact CE1-CG1 4.39Å; F630-I634 HydrophobicContact CE2-CD1 4.47Å; F630-I634 HydrophobicContact CG-CD1 4.45Å; F630-I634 HydrophobicContact CZ-CD1 3.74Å; F630-I634 HydrophobicContact CZ-CG1 4.49Å; F630-I634 WeakPolarHBondContact O-CG1 2.99Å; F630-I634 PolarHBondContact O-N 2.91Å |
| 631 | L | 96.3 | Very high | 93.4 | Very high | 47 Ų | 47 | 65 Ų | 65 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.2 | -169.1 | 61.2 | 0 | 0 | 0 | 112.5 | I606 W627 V628 H629 W633 I634 L635 | I606-L631 HydrophobicContact CG2-CD1 3.93Å; I606-L631 HydrophobicContact CG2-CD2 3.25Å; I606-L631 HydrophobicContact CG2-CG 3.64Å; W627-L631 HydrophobicContact CZ3-CD2 4.31Å; W627-L631 WeakPolarHBondContact O-CB 3.36Å; W627-L631 PolarHBondContact O-N 3.41Å; V628-L631 WeakPolarHBondContact O-CB 3.48Å; V628-L631 PolarHBondContact O-N 3Å; H629-L631 VanDerWaalsContact C-N 3.28Å; H629-L631 PolarHBondContact O-N 3.26Å; L631-W633 PolarHBondContact O-N 2.91Å; L631-I634 PolarHBondContact O-N 2.95Å; L631-L635 HydrophobicContact CG-CD1 4.49Å; L631-L635 WeakPolarHBondContact O-CG 3.39Å; L631-L635 PolarHBondContact O-N 3.3Å |
| 632 | C | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 177 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | V628 H629 L635 L636 L761 F762 | V628-C632 PolarHBondContact O-N 2.98Å; V628-C632 PolarHBondContact O-SG 3.2Å; H629-C632 PolarHBondContact O-N 2.85Å; C632-L635 PolarHBondContact O-N 3.25Å; C632-L636 WeakPolarHBondContact O-CB 3.25Å; C632-L636 PolarHBondContact O-N 2.97Å; C632-L761 HydrophobicContact CB-CB 4.47Å; C632-F762 HydrophobicContact CB-CD1 4.25Å; C632-F762 HydrophobicContact CB-CE1 4Å; C632-F762 HydrophobicContact CB-CZ 4.42Å |
| 633 | W | 97.7 | Very high | 94.4 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 34% | 0.341 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.1 | -80.2 | 109.8 | 0 | 0 | 0 | 112.5 | H629 F630 L631 L636 A637 F762 V770 F773 L774 | H629-W633 PolarHBondContact O-N 3.46Å; F630-W633 PolarHBondContact O-N 3.3Å; L631-W633 PolarHBondContact O-N 2.91Å; W633-L636 HydrophobicContact CE3-CD2 3.98Å; W633-L636 HydrophobicContact CZ3-CD2 3.89Å; W633-L636 PolarHBondContact O-N 3.31Å; W633-A637 PolarHBondContact O-N 2.91Å; W633-F762 AromaticContact CD2-CD1 3.83Å; W633-F762 HydrophobicContact CD2-CD1 3.83Å; W633-F762 HydrophobicContact CD2-CE1 4.45Å; W633-F762 AromaticContact CE2-CD1 3.71Å; W633-F762 HydrophobicContact CE3-CD1 4.27Å; W633-F762 HydrophobicContact CG-CD1 4.16Å; W633-F762 HydrophobicContact CH2-CD1 4.49Å; W633-F762 HydrophobicContact CZ2-CB 4.02Å; W633-F762 HydrophobicContact CZ2-CD1 4.07Å; W633-F762 HydrophobicContact CZ2-CG 4.43Å; W633-F762 AromaticContact NE1-CD1 3.94Å; W633-F762 PolarHBondContact NE1-O 3.37Å; W633-V770 HydrophobicContact CH2-CG1 3.85Å; W633-V770 HydrophobicContact CZ2-CG1 3.75Å; W633-F773 HydrophobicContact CZ3-CE1 4.4Å; W633-L774 HydrophobicContact CH2-CD1 4.41Å; W633-L774 HydrophobicContact CH2-CD2 3.92Å; W633-L774 HydrophobicContact CH2-CG 4.28Å; W633-L774 HydrophobicContact CZ3-CD2 4.17Å |
| 634 | I | 97.6 | Very high | 94.5 | Very high | 72 Ų | 72 | 47.6 Ų | 47.6 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -47.9 | 174.4 | -70.5 | 169.7 | 0 | 0 | 0 | 110.9 | F630 L631 L636 A637 M638 | F630-I634 HydrophobicContact CD1-CD1 3.7Å; F630-I634 HydrophobicContact CE1-CD1 3.3Å; F630-I634 HydrophobicContact CE1-CG1 4.39Å; F630-I634 HydrophobicContact CE2-CD1 4.47Å; F630-I634 HydrophobicContact CG-CD1 4.45Å; F630-I634 HydrophobicContact CZ-CD1 3.74Å; F630-I634 HydrophobicContact CZ-CG1 4.49Å; F630-I634 WeakPolarHBondContact O-CG1 2.99Å; F630-I634 PolarHBondContact O-N 2.91Å; L631-I634 PolarHBondContact O-N 2.95Å; I634-L636 VanDerWaalsContact C-N 3.3Å; I634-L636 PolarHBondContact O-N 2.64Å; I634-A637 PolarHBondContact O-N 3.33Å; I634-M638 HydrophobicContact CG2-CG 4.05Å; I634-M638 WeakPolarHBondContact O-CB 3.41Å; I634-M638 VanDerWaalsContact O-CG 3.25Å; I634-M638 WeakPolarHBondContact O-CG 3.49Å; I634-M638 PolarHBondContact O-N 3.26Å |
| 635 | L | 97.5 | Very high | 94.3 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 179.1 | -70.9 | 173.4 | 0 | 0 | 0 | 111.6 | M603 I606 A607 L631 C632 M638 S639 L663 L667 | M603-L635 HydrophobicContact CB-CD2 4Å; M603-L635 HydrophobicContact CE-CD2 4.33Å; M603-L635 HydrophobicContact CG-CD2 4.12Å; I606-L635 HydrophobicContact CB-CD1 4.46Å; I606-L635 HydrophobicContact CG2-CD1 3.98Å; A607-L635 HydrophobicContact CB-CD1 4.02Å; L631-L635 HydrophobicContact CG-CD1 4.49Å; L631-L635 WeakPolarHBondContact O-CG 3.39Å; L631-L635 PolarHBondContact O-N 3.3Å; C632-L635 PolarHBondContact O-N 3.25Å; L635-M638 PolarHBondContact O-N 3.42Å; L635-S639 PolarHBondContact O-N 3.32Å; L635-L663 HydrophobicContact CB-CD2 4.49Å; L635-L663 HydrophobicContact CD2-CD2 4.4Å; L635-L667 HydrophobicContact CB-CD1 3.89Å; L635-L667 HydrophobicContact CD1-CD1 4.44Å |
| 636 | L | 96.9 | Very high | 94 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -51.3 | 173.8 | 179.3 | 63.8 | 0 | 0 | 0 | 110.7 | C632 W633 I634 M638 S639 F640 S664 F762 L774 I777 | C632-L636 WeakPolarHBondContact O-CB 3.25Å; C632-L636 PolarHBondContact O-N 2.97Å; W633-L636 HydrophobicContact CE3-CD2 3.98Å; W633-L636 HydrophobicContact CZ3-CD2 3.89Å; W633-L636 PolarHBondContact O-N 3.31Å; I634-L636 VanDerWaalsContact C-N 3.3Å; I634-L636 PolarHBondContact O-N 2.64Å; L636-M638 PolarHBondContact O-N 3.5Å; L636-S639 WeakPolarHBondContact O-CB 3.4Å; L636-S639 PolarHBondContact O-N 2.79Å; L636-S639 PolarHBondContact O-OG 3.4Å; L636-F640 HydrophobicContact CD1-CE2 3.87Å; L636-F640 VanDerWaalsContact O-CD2 3.31Å; L636-F640 WeakPolarHBondContact O-CD2 3.4Å; L636-S664 WeakPolarHBondContact CD1-OG 3.48Å; L636-F762 HydrophobicContact CB-CE1 4.05Å; L636-F762 HydrophobicContact CB-CZ 4.44Å; L636-F762 HydrophobicContact CD2-CE1 3.77Å; L636-F762 HydrophobicContact CD2-CZ 4.21Å; L636-F762 HydrophobicContact CG-CE1 4.48Å; L636-L774 HydrophobicContact CD2-CD2 3.69Å; L636-I777 HydrophobicContact CD1-CG2 4.41Å; L636-I777 HydrophobicContact CD2-CD1 4.48Å |
| 637 | A | 96.2 | Very high | 93.7 | Very high | 53 Ų | 53 | 46 Ų | 46 | 44% | 0.438 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W633 I634 S639 F640 L641 | W633-A637 PolarHBondContact O-N 2.91Å; I634-A637 PolarHBondContact O-N 3.33Å; A637-S639 VanDerWaalsContact C-N 3.28Å; A637-S639 PolarHBondContact O-N 3.1Å; A637-F640 PolarHBondContact O-N 2.92Å; A637-L641 WeakPolarHBondContact O-CG 2.88Å; A637-L641 PolarHBondContact O-N 3.49Å |
| 638 | M | 94.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 40% | 0.404 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.8 | -32.6 | -179.3 | -70.8 | -64.8 | -103.4 | 0 | 0 | 112.3 | M603 I634 L635 L636 F640 L641 F642 | M603-M638 HydrophobicContact CE-CB 3.51Å; I634-M638 HydrophobicContact CG2-CG 4.05Å; I634-M638 WeakPolarHBondContact O-CB 3.41Å; I634-M638 VanDerWaalsContact O-CG 3.25Å; I634-M638 WeakPolarHBondContact O-CG 3.49Å; I634-M638 PolarHBondContact O-N 3.26Å; L635-M638 PolarHBondContact O-N 3.42Å; L636-M638 PolarHBondContact O-N 3.5Å; M638-F640 VanDerWaalsContact C-N 3.25Å; M638-F640 PolarHBondContact O-N 3.29Å; M638-L641 PolarHBondContact O-N 3.37Å; M638-L641 VanDerWaalsContact O-N 3.15Å; M638-L641 HydrophobicContact SD-CD1 4.42Å; M638-F642 VanDerWaalsContact O-CB 3.27Å; M638-F642 WeakPolarHBondContact O-CB 3.26Å; M638-F642 PolarHBondContact O-N 3.41Å |
| 639 | S | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -36 | 176.9 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | L635 L636 A637 P643 S660 S664 | L635-S639 PolarHBondContact O-N 3.32Å; L636-S639 WeakPolarHBondContact O-CB 3.4Å; L636-S639 PolarHBondContact O-N 2.79Å; L636-S639 PolarHBondContact O-OG 3.4Å; A637-S639 VanDerWaalsContact C-N 3.28Å; A637-S639 PolarHBondContact O-N 3.1Å; S639-P643 WeakPolarHBondContact O-CD 3.13Å; S639-S660 WeakPolarHBondContact CB-O 3.23Å; S639-S660 VanDerWaalsContact O-CB 3.26Å; S639-S660 WeakPolarHBondContact O-CB 3.3Å; S639-S660 PolarHBondContact O-OG 3.27Å; S639-S664 WeakPolarHBondContact CB-OG 3.17Å; S639-S664 PolarHBondContact OG-OG 2.81Å |
| 640 | F | 93.7 | Very high | 92.4 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -85.3 | -26.3 | 179.2 | -70.3 | -79.7 | 0 | 0 | 0 | 111.7 | L636 A637 M638 F644 L661 I777 I781 L784 F859 | L636-F640 HydrophobicContact CD1-CE2 3.87Å; L636-F640 VanDerWaalsContact O-CD2 3.31Å; L636-F640 WeakPolarHBondContact O-CD2 3.4Å; A637-F640 PolarHBondContact O-N 2.92Å; M638-F640 VanDerWaalsContact C-N 3.25Å; M638-F640 PolarHBondContact O-N 3.29Å; F640-F644 WeakPolarHBondContact O-CE2 3.32Å; F640-L661 HydrophobicContact CD1-CD2 3.77Å; F640-L661 HydrophobicContact CE1-CD2 3.53Å; F640-L661 HydrophobicContact CG-CD2 4.49Å; F640-L661 HydrophobicContact CZ-CD2 4.06Å; F640-I777 HydrophobicContact CE2-CG2 3.9Å; F640-I777 HydrophobicContact CZ-CG2 3.58Å; F640-I781 HydrophobicContact CZ-CD1 4.45Å; F640-I781 HydrophobicContact CZ-CG1 4.15Å; F640-L784 HydrophobicContact CE1-CD2 4.33Å; F640-F859 HydrophobicContact CB-CZ 4.08Å; F640-F859 HydrophobicContact CD1-CE1 4.21Å; F640-F859 AromaticContact CD1-CZ 3.81Å; F640-F859 HydrophobicContact CD1-CZ 3.81Å; F640-F859 HydrophobicContact CG-CZ 4.45Å; F640-F859 WeakPolarHBondContact O-CZ 3.42Å |
| 641 | L | 92.2 | Very high | 92.1 | Very high | 97 Ų | 97 | 36.5 Ų | 36.5 | 51% | 0.508 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.6 | -30 | 178.6 | -66 | 174.9 | 0 | 0 | 0 | 113.1 | A637 M638 F644 | A637-L641 WeakPolarHBondContact O-CG 2.88Å; A637-L641 PolarHBondContact O-N 3.49Å; M638-L641 PolarHBondContact O-N 3.37Å; M638-L641 VanDerWaalsContact O-N 3.15Å; M638-L641 HydrophobicContact SD-CD1 4.42Å; L641-F644 WeakPolarHBondContact O-CB 3.1Å; L641-F644 VanDerWaalsContact O-CD2 3.29Å; L641-F644 WeakPolarHBondContact O-CD2 3.34Å; L641-F644 PolarHBondContact O-N 3.28Å |
| 642 | F | 91.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -60.2 | -37.6 | -171.4 | -166.6 | -121.1 | 0 | 0 | 0 | 114.8 | L599 L600 M638 F644 L645 V646 V656 | L599-F642 HydrophobicContact CB-CE2 4.28Å; L599-F642 HydrophobicContact CB-CZ 4.2Å; L599-F642 HydrophobicContact CD2-CD2 3.98Å; L599-F642 HydrophobicContact CD2-CE2 3.42Å; L599-F642 VanDerWaalsContact CD2-CE2 3.42Å; L599-F642 HydrophobicContact CD2-CZ 4.17Å; L599-F642 HydrophobicContact CG-CE2 4.23Å; L600-F642 HydrophobicContact CD1-CE1 3.91Å; L600-F642 HydrophobicContact CD2-CD1 3.57Å; L600-F642 HydrophobicContact CD2-CE1 3.5Å; L600-F642 VanDerWaalsContact CD2-CE1 3.5Å; L600-F642 HydrophobicContact CG-CD1 4.08Å; L600-F642 HydrophobicContact CG-CE1 3.44Å; L600-F642 VanDerWaalsContact CG-CE1 3.44Å; L600-F642 HydrophobicContact CG-CZ 4.23Å; M638-F642 VanDerWaalsContact O-CB 3.27Å; M638-F642 WeakPolarHBondContact O-CB 3.26Å; M638-F642 PolarHBondContact O-N 3.41Å; F642-F644 PolarHBondContact O-N 2.97Å; F642-F644 VanDerWaalsContact O-N 3.07Å; F642-L645 HydrophobicContact CD2-CD1 4.03Å; F642-L645 HydrophobicContact CE2-CD1 4.48Å; F642-L645 PolarHBondContact O-N 3.4Å; F642-V646 HydrophobicContact CE1-CG2 4.38Å; F642-V646 HydrophobicContact CZ-CG2 4.19Å; F642-V656 HydrophobicContact CD1-CG1 3.45Å; F642-V656 VanDerWaalsContact CD1-CG1 3.45Å; F642-V656 HydrophobicContact CE1-CG1 3.75Å; F642-V656 HydrophobicContact CE1-CG2 4.39Å; F642-V656 HydrophobicContact CG-CG1 4.3Å |
| 643 | P | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -53.5 | -28.4 | 171.9 | -29.2 | 37.7 | 0 | 0 | 0 | 113.9 | S639 L645 R653 V656 I657 F859 | S639-P643 WeakPolarHBondContact O-CD 3.13Å; P643-L645 VanDerWaalsContact C-N 3.28Å; P643-L645 PolarHBondContact O-N 2.98Å; P643-R653 PolarHBondContact O-NE 2.9Å; P643-R653 PolarHBondContact O-NH1 3.23Å; P643-R653 PolarHBondContact O-NH2 3.33Å; P643-V656 HydrophobicContact CB-CG1 4.48Å; P643-V656 HydrophobicContact CG-CG1 4.3Å; P643-I657 HydrophobicContact CB-CG1 3.87Å; P643-I657 HydrophobicContact CG-CG1 3.85Å; P643-F859 HydrophobicContact CB-CD1 4.13Å; P643-F859 HydrophobicContact CG-CD1 3.92Å; P643-F859 HydrophobicContact CG-CE1 3.99Å |
| 644 | F | 89.8 | Confident | 91.2 | Very high | 23 Ų | 23 | 31 Ų | 31 | 10% | 0.101 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -78.8 | -10.6 | -179.2 | -54 | -65.9 | 0 | 0 | 0 | 114.7 | F640 L641 F642 L858 F859 S862 V864 | F640-F644 WeakPolarHBondContact O-CE2 3.32Å; L641-F644 WeakPolarHBondContact O-CB 3.1Å; L641-F644 VanDerWaalsContact O-CD2 3.29Å; L641-F644 WeakPolarHBondContact O-CD2 3.34Å; L641-F644 PolarHBondContact O-N 3.28Å; F642-F644 PolarHBondContact O-N 2.97Å; F642-F644 VanDerWaalsContact O-N 3.07Å; F644-L858 HydrophobicContact CE1-CD2 4.48Å; F644-L858 HydrophobicContact CE1-CG 3.95Å; F644-L858 HydrophobicContact CZ-CD2 4.22Å; F644-L858 HydrophobicContact CZ-CG 4.15Å; F644-F859 HydrophobicContact CE1-CD2 4.35Å; F644-F859 HydrophobicContact CE2-CE2 4.16Å; F644-F859 HydrophobicContact CE2-CZ 4.33Å; F644-F859 AromaticContact CZ-CD2 3.68Å; F644-F859 HydrophobicContact CZ-CD2 3.68Å; F644-F859 AromaticContact CZ-CE2 3.69Å; F644-F859 HydrophobicContact CZ-CE2 3.69Å; F644-F859 HydrophobicContact CZ-CG 4.25Å; F644-F859 HydrophobicContact CZ-CZ 4.25Å; F644-S862 WeakPolarHBondContact CD1-OG 3.47Å; F644-S862 WeakPolarHBondContact CE1-OG 3.44Å; F644-V864 HydrophobicContact CB-CG2 3.93Å; F644-V864 PolarHBondContact O-N 3.3Å |
| 645 | L | 87.6 | Confident | 90.9 | Very high | 78 Ų | 78 | 28.3 Ų | 28.3 | 41% | 0.408 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -91.9 | -17.5 | -177.5 | -56.9 | -174.8 | 0 | 0 | 0 | 113.1 | F642 P643 F865 | F642-L645 HydrophobicContact CD2-CD1 4.03Å; F642-L645 HydrophobicContact CE2-CD1 4.48Å; F642-L645 PolarHBondContact O-N 3.4Å; P643-L645 VanDerWaalsContact C-N 3.28Å; P643-L645 PolarHBondContact O-N 2.98Å; L645-F865 HydrophobicContact CD2-CD2 3.95Å; L645-F865 HydrophobicContact CD2-CE2 3.83Å |
| 646 | V | 86.7 | Confident | 90.8 | Very high | 12 Ų | 12 | 28 Ų | 28 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -99.1 | 166.9 | -175.1 | -175 | 0 | 0 | 0 | 0 | 111.5 | Y596 F642 D652 R653 V656 | Y596-V646 HydrophobicContact CD1-CG1 3.64Å; Y596-V646 HydrophobicContact CE1-CG1 3.81Å; Y596-V646 HydrophobicContact CG-CG1 4.14Å; Y596-V646 HydrophobicContact CG-CG2 4.24Å; F642-V646 HydrophobicContact CE1-CG2 4.38Å; F642-V646 HydrophobicContact CZ-CG2 4.19Å; V646-D652 HydrophobicContact CG1-CB 4.14Å; V646-R653 PolarHBondContact O-NH1 3.11Å; V646-R653 PolarHBondContact O-NH2 2.92Å; V646-V656 HydrophobicContact CB-CG2 4.03Å; V646-V656 HydrophobicContact CG1-CG2 3.93Å; V646-V656 HydrophobicContact CG2-CG1 4.15Å; V646-V656 HydrophobicContact CG2-CG2 3.76Å |
| 647 | S | 86.3 | Confident | 90.7 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 27% | 0.266 | 15% | 0.154 | S | C | . | . | trans | -53.3 | 145.5 | 172.9 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | L649 D652 R653 | S647-L649 PolarHBondContact O-N 3.19Å; S647-D652 WeakPolarHBondContact OG-CB 3.39Å; S647-D652 PolarHBondContact OG-OD2 3.48Å; S647-R653 VanDerWaalsContact O-CZ 3.31Å; S647-R653 PolarHBondContact O-NH1 2.93Å | ||
| 648 | S | 83.7 | Confident | 90.6 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 6% | 0.063 | 14% | 0.137 | C | C | . | . | trans | -79.7 | 10.3 | 173.5 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | V650 D703 F704 | S648-V650 PolarHBondContact O-N 3.23Å; S648-D703 WeakPolarHBondContact CB-OD1 3.49Å; S648-D703 PolarHBondContact OG-OD1 3.34Å; S648-D703 PolarHBondContact OG-OD2 3.33Å; S648-F704 WeakPolarHBondContact O-CD2 3.42Å; S648-F704 PolarHBondContact O-N 3.1Å | ||
| 649 | L | 87.8 | Confident | 90.7 | Very high | 48 Ų | 48 | 23 Ų | 23 | 25% | 0.251 | 12% | 0.124 | S | C | . | . | B | Isolated β-bridge | trans | -60.6 | 133.5 | 170.5 | -69.9 | 175.4 | 0 | 0 | 0 | 109 | S647 V651 D652 R653 W702 D703 | S647-L649 PolarHBondContact O-N 3.19Å; L649-V651 VanDerWaalsContact C-N 3.3Å; L649-V651 PolarHBondContact O-N 2.91Å; L649-D652 HydrophobicContact CB-CB 4.25Å; L649-D652 WeakPolarHBondContact CD1-OD2 3.36Å; L649-D652 PolarHBondContact O-N 2.97Å; L649-D652 VanDerWaalsContact O-N 3.16Å; L649-R653 VanDerWaalsContact O-CB 3.28Å; L649-R653 WeakPolarHBondContact O-CB 3.48Å; L649-R653 PolarHBondContact O-N 3.33Å; L649-W702 WeakPolarHBondContact CA-O 3.45Å; L649-D703 HydrophobicContact CD2-CB 4.36Å |
| 650 | V | 86.9 | Confident | 90.7 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.8 | -48.1 | -170.1 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | S648 R653 L654 W702 F704 T792 M795 F796 | S648-V650 PolarHBondContact O-N 3.23Å; V650-R653 PolarHBondContact O-N 2.64Å; V650-L654 HydrophobicContact CG1-CD1 3.93Å; V650-L654 HydrophobicContact CG1-CG 4.41Å; V650-L654 WeakPolarHBondContact O-CB 3.35Å; V650-L654 WeakPolarHBondContact O-CG 3.48Å; V650-L654 PolarHBondContact O-N 2.76Å; V650-W702 HydrophobicContact CG2-CB 4.18Å; V650-W702 PolarHBondContact N-O 2.97Å; V650-F704 HydrophobicContact CB-CD2 4.49Å; V650-F704 HydrophobicContact CB-CE2 4.07Å; V650-F704 HydrophobicContact CB-CZ 4.29Å; V650-F704 HydrophobicContact CG1-CE2 4.16Å; V650-F704 HydrophobicContact CG1-CZ 3.97Å; V650-F704 HydrophobicContact CG2-CD1 4.32Å; V650-F704 HydrophobicContact CG2-CD2 4Å; V650-F704 HydrophobicContact CG2-CE1 4.22Å; V650-F704 HydrophobicContact CG2-CE2 3.93Å; V650-F704 HydrophobicContact CG2-CG 4.2Å; V650-F704 HydrophobicContact CG2-CZ 4.02Å; V650-T792 HydrophobicContact CG1-CG2 3.62Å; V650-M795 HydrophobicContact CG2-SD 4.38Å; V650-F796 HydrophobicContact CG1-CE2 4.18Å; V650-F796 HydrophobicContact CG1-CZ 4.46Å; V650-F796 HydrophobicContact CG2-CE2 4.45Å; V650-F796 HydrophobicContact CG2-CZ 4.18Å |
| 651 | V | 88.3 | Confident | 90.8 | Very high | 34 Ų | 34 | 20.5 Ų | 20.5 | 21% | 0.206 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | -178.3 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | W593 L649 S655 V699 L700 | W593-V651 HydrophobicContact CH2-CG1 3.49Å; W593-V651 VanDerWaalsContact CH2-CG1 3.49Å; W593-V651 HydrophobicContact CZ2-CG1 3.98Å; L649-V651 VanDerWaalsContact C-N 3.3Å; L649-V651 PolarHBondContact O-N 2.91Å; V651-S655 VanDerWaalsContact O-CB 3.31Å; V651-S655 WeakPolarHBondContact O-CB 3.41Å; V651-S655 PolarHBondContact O-N 3.45Å; V651-S655 PolarHBondContact O-OG 2.83Å; V651-S655 VanDerWaalsContact O-OG 3.09Å; V651-V699 HydrophobicContact CG2-CG1 4.01Å; V651-L700 HydrophobicContact CB-CD2 4.46Å; V651-L700 HydrophobicContact CG1-CD2 4.26Å; V651-L700 HydrophobicContact CG2-CD2 4.06Å |
| 652 | D | 89.8 | Confident | 91 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.6 | -36.8 | 179.2 | -67.8 | -31.7 | 0 | 0 | 0 | 111.8 | R594 Y596 V646 S647 L649 S655 V656 | R594-D652 IonicContact CZ-OD1 3.69Å; R594-D652 IonicContact CZ-OD2 3.52Å; R594-D652 IonicContact NE-OD1 2.85Å; R594-D652 PolarHBondContact NE-OD1 3.43Å; R594-D652 IonicContact NE-OD2 3.65Å; R594-D652 IonicContact NH2-OD1 2.81Å; R594-D652 PolarHBondContact NH2-OD1 2.76Å; R594-D652 IonicContact NH2-OD2 3.42Å; R594-D652 PolarHBondContact NH2-OD2 3.42Å; Y596-D652 HydrophobicContact CE1-CB 4.04Å; Y596-D652 WeakPolarHBondContact OH-CA 3.46Å; Y596-D652 PolarHBondContact OH-OD1 3.25Å; V646-D652 HydrophobicContact CG1-CB 4.14Å; S647-D652 WeakPolarHBondContact OG-CB 3.39Å; S647-D652 PolarHBondContact OG-OD2 3.48Å; L649-D652 HydrophobicContact CB-CB 4.25Å; L649-D652 WeakPolarHBondContact CD1-OD2 3.36Å; L649-D652 PolarHBondContact O-N 2.97Å; L649-D652 VanDerWaalsContact O-N 3.16Å; D652-S655 PolarHBondContact O-OG 3.12Å; D652-V656 WeakPolarHBondContact O-CB 3.33Å; D652-V656 WeakPolarHBondContact O-CG2 3.33Å; D652-V656 PolarHBondContact O-N 2.88Å; D652-V656 VanDerWaalsContact O-N 3.16Å |
| 653 | R | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.8 | -45.4 | -179 | 177.4 | 66.1 | 83.2 | -120.8 | 9.6 | 111.4 | P643 V646 S647 L649 V650 V656 I657 F704 F859 T860 S862 | P643-R653 PolarHBondContact O-NE 2.9Å; P643-R653 PolarHBondContact O-NH1 3.23Å; P643-R653 PolarHBondContact O-NH2 3.33Å; V646-R653 PolarHBondContact O-NH1 3.11Å; V646-R653 PolarHBondContact O-NH2 2.92Å; S647-R653 VanDerWaalsContact O-CZ 3.31Å; S647-R653 PolarHBondContact O-NH1 2.93Å; L649-R653 VanDerWaalsContact O-CB 3.28Å; L649-R653 WeakPolarHBondContact O-CB 3.48Å; L649-R653 PolarHBondContact O-N 3.33Å; V650-R653 PolarHBondContact O-N 2.64Å; R653-V656 PolarHBondContact O-N 3.1Å; R653-I657 HydrophobicContact CG-CD1 3.86Å; R653-I657 WeakPolarHBondContact O-CB 3.14Å; R653-I657 WeakPolarHBondContact O-CD1 3.45Å; R653-I657 WeakPolarHBondContact O-CG1 3.39Å; R653-I657 PolarHBondContact O-N 3.03Å; R653-F704 HydrophobicContact CB-CD2 3.98Å; R653-F704 HydrophobicContact CB-CE2 3.79Å; R653-F704 HydrophobicContact CG-CD2 3.91Å; R653-F704 HydrophobicContact CG-CE2 3.74Å; R653-F859 WeakPolarHBondContact CD-O 3.47Å; R653-F859 PolarHBondContact NE-O 3.25Å; R653-F859 VanDerWaalsContact NE-O 3.17Å; R653-T860 PolarHBondContact NE-O 3.24Å; R653-S862 PolarHBondContact NH2-O 3.45Å; R653-S862 VanDerWaalsContact NH2-O 3.09Å |
| 654 | L | 91.8 | Very high | 91.4 | Very high | 17 Ų | 17 | 15.6 Ų | 15.6 | 9% | 0.089 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68 | -36.5 | 178.2 | -72.9 | -177.9 | 0 | 0 | 0 | 112.7 | V650 A658 Y685 F704 C788 T792 | V650-L654 HydrophobicContact CG1-CD1 3.93Å; V650-L654 HydrophobicContact CG1-CG 4.41Å; V650-L654 WeakPolarHBondContact O-CB 3.35Å; V650-L654 WeakPolarHBondContact O-CG 3.48Å; V650-L654 PolarHBondContact O-N 2.76Å; L654-A658 WeakPolarHBondContact O-CB 3.2Å; L654-A658 PolarHBondContact O-N 3.21Å; L654-Y685 HydrophobicContact CB-CE2 4.1Å; L654-Y685 HydrophobicContact CD1-CE1 4.47Å; L654-Y685 HydrophobicContact CD2-CE1 4.31Å; L654-Y685 PolarHBondContact O-OH 3.5Å; L654-F704 HydrophobicContact CD2-CZ 4.31Å; L654-F704 HydrophobicContact CG-CE2 4.45Å; L654-F704 HydrophobicContact CG-CZ 4.23Å; L654-C788 HydrophobicContact CD2-CB 4.24Å; L654-T792 HydrophobicContact CD1-CG2 4.01Å |
| 655 | S | 91.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 14.5 Ų | 14.5 | 10% | 0.098 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 174.8 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | Y596 V651 D652 I657 A658 F659 | Y596-S655 PolarHBondContact OH-OG 3Å; V651-S655 VanDerWaalsContact O-CB 3.31Å; V651-S655 WeakPolarHBondContact O-CB 3.41Å; V651-S655 PolarHBondContact O-N 3.45Å; V651-S655 PolarHBondContact O-OG 2.83Å; V651-S655 VanDerWaalsContact O-OG 3.09Å; D652-S655 PolarHBondContact O-OG 3.12Å; S655-I657 PolarHBondContact O-N 3.25Å; S655-A658 PolarHBondContact O-N 2.94Å; S655-F659 WeakPolarHBondContact O-CD2 3.39Å; S655-F659 PolarHBondContact O-N 3.25Å |
| 656 | V | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | Y596 F642 P643 V646 D652 R653 A658 F659 S660 | Y596-V656 HydrophobicContact CD2-CG2 3.6Å; Y596-V656 HydrophobicContact CE2-CG2 3.49Å; Y596-V656 VanDerWaalsContact CE2-CG2 3.49Å; Y596-V656 HydrophobicContact CG-CG2 4.28Å; F642-V656 HydrophobicContact CD1-CG1 3.45Å; F642-V656 VanDerWaalsContact CD1-CG1 3.45Å; F642-V656 HydrophobicContact CE1-CG1 3.75Å; F642-V656 HydrophobicContact CE1-CG2 4.39Å; F642-V656 HydrophobicContact CG-CG1 4.3Å; P643-V656 HydrophobicContact CB-CG1 4.48Å; P643-V656 HydrophobicContact CG-CG1 4.3Å; V646-V656 HydrophobicContact CB-CG2 4.03Å; V646-V656 HydrophobicContact CG1-CG2 3.93Å; V646-V656 HydrophobicContact CG2-CG1 4.15Å; V646-V656 HydrophobicContact CG2-CG2 3.76Å; D652-V656 WeakPolarHBondContact O-CB 3.33Å; D652-V656 WeakPolarHBondContact O-CG2 3.33Å; D652-V656 PolarHBondContact O-N 2.88Å; D652-V656 VanDerWaalsContact O-N 3.16Å; R653-V656 PolarHBondContact O-N 3.1Å; V656-A658 VanDerWaalsContact C-N 3.34Å; V656-A658 PolarHBondContact O-N 3.46Å; V656-F659 PolarHBondContact O-N 2.96Å; V656-S660 WeakPolarHBondContact O-CB 3.17Å; V656-S660 PolarHBondContact O-N 3.48Å; V656-S660 PolarHBondContact O-OG 3.28Å; V656-S660 VanDerWaalsContact O-OG 3.05Å |
| 657 | I | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 176 | -70.9 | 167.8 | 0 | 0 | 0 | 110.6 | P643 R653 S655 L661 I785 C788 F859 T860 | P643-I657 HydrophobicContact CB-CG1 3.87Å; P643-I657 HydrophobicContact CG-CG1 3.85Å; R653-I657 HydrophobicContact CG-CD1 3.86Å; R653-I657 WeakPolarHBondContact O-CB 3.14Å; R653-I657 WeakPolarHBondContact O-CD1 3.45Å; R653-I657 WeakPolarHBondContact O-CG1 3.39Å; R653-I657 PolarHBondContact O-N 3.03Å; S655-I657 PolarHBondContact O-N 3.25Å; I657-L661 HydrophobicContact CG2-CD1 3.71Å; I657-L661 HydrophobicContact CG2-CG 4.42Å; I657-L661 WeakPolarHBondContact O-CB 3.2Å; I657-L661 WeakPolarHBondContact O-CG 3.28Å; I657-L661 PolarHBondContact O-N 3.49Å; I657-I785 HydrophobicContact CG2-CG1 4.38Å; I657-C788 HydrophobicContact CD1-CB 4.45Å; I657-F859 HydrophobicContact CD1-CB 4.18Å; I657-F859 HydrophobicContact CG1-CD1 4.38Å; I657-T860 HydrophobicContact CD1-CG2 4.3Å |
| 658 | A | 95.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 8.6 Ų | 8.6 | 8% | 0.083 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62 | -49.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | L654 S655 V656 L662 T681 Y685 | L654-A658 WeakPolarHBondContact O-CB 3.2Å; L654-A658 PolarHBondContact O-N 3.21Å; S655-A658 PolarHBondContact O-N 2.94Å; V656-A658 VanDerWaalsContact C-N 3.34Å; V656-A658 PolarHBondContact O-N 3.46Å; A658-L662 WeakPolarHBondContact O-CB 3.27Å; A658-L662 PolarHBondContact O-N 3.38Å; A658-T681 HydrophobicContact CB-CG2 3.82Å; A658-Y685 HydrophobicContact CB-CE2 4.06Å |
| 659 | F | 95.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 8.4 Ų | 8.4 | 13% | 0.132 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -71.9 | -40.6 | -176.4 | -82.9 | -110 | 0 | 0 | 0 | 112.6 | W583 T587 L590 F597 L600 S655 V656 L663 | W583-F659 AromaticContact CE2-CE1 3.7Å; W583-F659 HydrophobicContact CH2-CE1 4.35Å; W583-F659 HydrophobicContact CH2-CZ 4.06Å; W583-F659 AromaticContact CZ2-CD1 3.92Å; W583-F659 HydrophobicContact CZ2-CD1 3.92Å; W583-F659 HydrophobicContact CZ2-CD2 4.42Å; W583-F659 AromaticContact CZ2-CE1 3.43Å; W583-F659 HydrophobicContact CZ2-CE1 3.43Å; W583-F659 VanDerWaalsContact CZ2-CE1 3.43Å; W583-F659 HydrophobicContact CZ2-CE2 4.01Å; W583-F659 HydrophobicContact CZ2-CG 4.4Å; W583-F659 AromaticContact CZ2-CZ 3.49Å; W583-F659 HydrophobicContact CZ2-CZ 3.49Å; W583-F659 VanDerWaalsContact CZ2-CZ 3.49Å; W583-F659 AromaticContact NE1-CD1 3.69Å; W583-F659 AromaticContact NE1-CE1 3.74Å; T587-F659 HydrophobicContact CG2-CD1 4.24Å; T587-F659 HydrophobicContact CG2-CE1 4.34Å; L590-F659 HydrophobicContact CD1-CE1 3.85Å; L590-F659 HydrophobicContact CD1-CE2 4.37Å; L590-F659 HydrophobicContact CD1-CZ 3.46Å; L590-F659 VanDerWaalsContact CD1-CZ 3.46Å; F597-F659 HydrophobicContact CD1-CD1 4.41Å; F597-F659 HydrophobicContact CD1-CE1 4.48Å; F597-F659 HydrophobicContact CE1-CD1 4.03Å; F597-F659 HydrophobicContact CE1-CD2 4.13Å; F597-F659 HydrophobicContact CE1-CE1 4.02Å; F597-F659 HydrophobicContact CE1-CE2 4.11Å; F597-F659 HydrophobicContact CE1-CG 4.08Å; F597-F659 HydrophobicContact CE1-CZ 4.05Å; L600-F659 HydrophobicContact CD1-CB 3.74Å; L600-F659 HydrophobicContact CD1-CG 4.34Å; L600-F659 HydrophobicContact CD2-CB 4.15Å; L600-F659 HydrophobicContact CG-CB 4.49Å; S655-F659 WeakPolarHBondContact O-CD2 3.39Å; S655-F659 PolarHBondContact O-N 3.25Å; V656-F659 PolarHBondContact O-N 2.96Å; F659-L663 PolarHBondContact O-N 3.22Å |
| 660 | S | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | 179.7 | 78.2 | 0 | 0 | 0 | 0 | 110.9 | S639 V656 L663 | S639-S660 WeakPolarHBondContact CB-O 3.23Å; S639-S660 VanDerWaalsContact O-CB 3.26Å; S639-S660 WeakPolarHBondContact O-CB 3.3Å; S639-S660 PolarHBondContact O-OG 3.27Å; V656-S660 WeakPolarHBondContact O-CB 3.17Å; V656-S660 PolarHBondContact O-N 3.48Å; V656-S660 PolarHBondContact O-OG 3.28Å; V656-S660 VanDerWaalsContact O-OG 3.05Å; S660-L663 VanDerWaalsContact O-CB 3.28Å; S660-L663 WeakPolarHBondContact O-CB 3.38Å; S660-L663 PolarHBondContact O-N 2.9Å |
| 661 | L | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -72.5 | -33.4 | 178.2 | -67.9 | -178.8 | 0 | 0 | 0 | 113 | F640 I657 L663 S664 F665 F677 I781 L784 I785 | F640-L661 HydrophobicContact CD1-CD2 3.77Å; F640-L661 HydrophobicContact CE1-CD2 3.53Å; F640-L661 HydrophobicContact CG-CD2 4.49Å; F640-L661 HydrophobicContact CZ-CD2 4.06Å; I657-L661 HydrophobicContact CG2-CD1 3.71Å; I657-L661 HydrophobicContact CG2-CG 4.42Å; I657-L661 WeakPolarHBondContact O-CB 3.2Å; I657-L661 WeakPolarHBondContact O-CG 3.28Å; I657-L661 PolarHBondContact O-N 3.49Å; L661-L663 VanDerWaalsContact C-N 3.27Å; L661-L663 PolarHBondContact O-N 3.18Å; L661-S664 PolarHBondContact O-N 2.92Å; L661-F665 WeakPolarHBondContact O-CB 3.48Å; L661-F665 PolarHBondContact O-N 3.34Å; L661-F677 HydrophobicContact CB-CZ 4.5Å; L661-I781 HydrophobicContact CB-CG2 3.7Å; L661-I781 HydrophobicContact CD1-CG2 4.25Å; L661-I781 HydrophobicContact CG-CG2 4.4Å; L661-L784 HydrophobicContact CD1-CB 4.5Å; L661-L784 HydrophobicContact CD1-CD2 3.81Å; L661-L784 HydrophobicContact CD1-CG 4.18Å; L661-L784 HydrophobicContact CD2-CD2 4.37Å; L661-I785 HydrophobicContact CB-CD1 4.41Å; L661-I785 HydrophobicContact CD1-CD1 4.31Å; L661-I785 HydrophobicContact CD1-CG1 3.75Å |
| 662 | L | 96.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 6.5 Ų | 6.5 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.6 | -37.3 | 171.9 | 172.8 | 59.7 | 0 | 0 | 0 | 111.9 | F579 W583 A658 S664 F665 T666 P674 F677 V678 | F579-L662 HydrophobicContact CE1-CD1 4.12Å; F579-L662 HydrophobicContact CZ-CD1 3.95Å; F579-L662 HydrophobicContact CZ-CD2 4.02Å; F579-L662 HydrophobicContact CZ-CG 4.41Å; W583-L662 HydrophobicContact CD2-CD2 3.98Å; W583-L662 HydrophobicContact CG-CD2 4.42Å; W583-L662 HydrophobicContact CH2-CD2 4.2Å; W583-L662 HydrophobicContact CZ2-CD2 3.38Å; W583-L662 VanDerWaalsContact NE1-CD2 3.3Å; A658-L662 WeakPolarHBondContact O-CB 3.27Å; A658-L662 PolarHBondContact O-N 3.38Å; L662-S664 PolarHBondContact O-N 3.45Å; L662-F665 PolarHBondContact O-N 3.23Å; L662-T666 VanDerWaalsContact O-CB 3.31Å; L662-T666 WeakPolarHBondContact O-CB 3.16Å; L662-T666 PolarHBondContact O-N 3.32Å; L662-T666 PolarHBondContact O-OG1 2.72Å; L662-P674 HydrophobicContact CD1-CB 4.24Å; L662-F677 HydrophobicContact CB-CD1 3.96Å; L662-F677 HydrophobicContact CB-CE1 3.7Å; L662-F677 HydrophobicContact CD1-CB 4.19Å; L662-F677 HydrophobicContact CD1-CD1 3.56Å; L662-F677 HydrophobicContact CD1-CE1 4.19Å; L662-F677 HydrophobicContact CD1-CG 4.08Å; L662-F677 HydrophobicContact CG-CD1 4.24Å; L662-F677 HydrophobicContact CG-CE1 4.48Å; L662-V678 HydrophobicContact CD1-CG2 4.32Å; L662-V678 HydrophobicContact CD2-CG2 3.71Å |
| 663 | L | 96.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 6.7 Ų | 6.7 | 2% | 0.016 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -55.2 | -52.8 | 174.3 | 177.1 | 73 | 0 | 0 | 0 | 111 | M603 Q604 A607 L635 F659 S660 L661 F665 T666 L667 | M603-L663 HydrophobicContact CB-CD2 3.81Å; M603-L663 HydrophobicContact CE-CD2 3.58Å; Q604-L663 HydrophobicContact CB-CD1 4.36Å; A607-L663 HydrophobicContact CB-CD1 3.38Å; L635-L663 HydrophobicContact CB-CD2 4.49Å; L635-L663 HydrophobicContact CD2-CD2 4.4Å; F659-L663 PolarHBondContact O-N 3.22Å; S660-L663 VanDerWaalsContact O-CB 3.28Å; S660-L663 WeakPolarHBondContact O-CB 3.38Å; S660-L663 PolarHBondContact O-N 2.9Å; L661-L663 VanDerWaalsContact C-N 3.27Å; L661-L663 PolarHBondContact O-N 3.18Å; L663-F665 PolarHBondContact O-N 3.3Å; L663-T666 PolarHBondContact O-N 3.09Å; L663-L667 WeakPolarHBondContact O-CG 3.42Å; L663-L667 PolarHBondContact O-N 3.36Å |
| 664 | S | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 179.5 | -74.1 | 0 | 0 | 0 | 0 | 112.8 | L636 S639 L661 L662 T666 L667 M668 | L636-S664 WeakPolarHBondContact CD1-OG 3.48Å; S639-S664 WeakPolarHBondContact CB-OG 3.17Å; S639-S664 PolarHBondContact OG-OG 2.81Å; L661-S664 PolarHBondContact O-N 2.92Å; L662-S664 PolarHBondContact O-N 3.45Å; S664-T666 VanDerWaalsContact C-N 3.29Å; S664-T666 PolarHBondContact O-N 3.22Å; S664-L667 PolarHBondContact O-N 3.37Å; S664-M668 VanDerWaalsContact O-CE 3.23Å; S664-M668 WeakPolarHBondContact O-CE 3.47Å; S664-M668 PolarHBondContact O-N 3.43Å |
| 665 | F | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 174.6 | -171 | -93.5 | 0 | 0 | 0 | 111.6 | L661 L662 L663 M668 S669 E673 F677 Q739 K778 I781 P782 | L661-F665 WeakPolarHBondContact O-CB 3.48Å; L661-F665 PolarHBondContact O-N 3.34Å; L662-F665 PolarHBondContact O-N 3.23Å; L663-F665 PolarHBondContact O-N 3.3Å; F665-M668 CarbonylContact O-C 3.41Å; F665-M668 PolarHBondContact O-N 2.95Å; F665-S669 PolarHBondContact O-N 3.31Å; F665-S669 PolarHBondContact O-OG 3.39Å; F665-E673 HydrophobicContact CE1-CB 3.7Å; F665-E673 WeakPolarHBondContact CE1-O 3.33Å; F665-E673 HydrophobicContact CZ-CB 4.05Å; F665-F677 HydrophobicContact CB-CD2 4.35Å; F665-F677 HydrophobicContact CB-CE2 4.25Å; F665-F677 HydrophobicContact CD1-CB 3.97Å; F665-F677 AromaticContact CD1-CD2 3.82Å; F665-F677 HydrophobicContact CD1-CD2 3.82Å; F665-F677 HydrophobicContact CD1-CG 4.03Å; F665-F677 AromaticContact CD2-CD2 3.91Å; F665-F677 HydrophobicContact CD2-CD2 3.91Å; F665-F677 HydrophobicContact CD2-CE2 4.02Å; F665-F677 HydrophobicContact CE1-CB 3.93Å; F665-F677 HydrophobicContact CE1-CD2 4.04Å; F665-F677 HydrophobicContact CE1-CG 4.33Å; F665-F677 HydrophobicContact CE2-CD2 4.13Å; F665-F677 AromaticContact CG-CD2 3.74Å; F665-F677 HydrophobicContact CG-CD2 3.74Å; F665-F677 AromaticContact CG-CE2 4Å; F665-F677 HydrophobicContact CG-CE2 4Å; F665-F677 HydrophobicContact CG-CG 4.31Å; F665-F677 HydrophobicContact CZ-CD2 4.19Å; F665-Q739 HydrophobicContact CZ-CB 4.21Å; F665-K778 HydrophobicContact CD2-CG 4.09Å; F665-K778 HydrophobicContact CE2-CG 3.95Å; F665-I781 HydrophobicContact CB-CD1 4.25Å; F665-P782 HydrophobicContact CE2-CG 4.43Å |
| 666 | T | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68.7 | -37.9 | 179.4 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | V576 F579 C580 I611 L662 L663 S664 M668 S669 P674 | V576-T666 HydrophobicContact CG1-CG2 4.13Å; F579-T666 HydrophobicContact CD1-CG2 4.37Å; F579-T666 HydrophobicContact CE1-CG2 4.48Å; C580-T666 WeakPolarHBondContact SG-CG2 3.24Å; I611-T666 HydrophobicContact CD1-CG2 3.87Å; L662-T666 VanDerWaalsContact O-CB 3.31Å; L662-T666 WeakPolarHBondContact O-CB 3.16Å; L662-T666 PolarHBondContact O-N 3.32Å; L662-T666 PolarHBondContact O-OG1 2.72Å; L663-T666 PolarHBondContact O-N 3.09Å; S664-T666 VanDerWaalsContact C-N 3.29Å; S664-T666 PolarHBondContact O-N 3.22Å; T666-M668 PolarHBondContact O-N 2.88Å; T666-S669 WeakPolarHBondContact O-CB 3.5Å; T666-S669 PolarHBondContact O-N 3.2Å; T666-P674 HydrophobicContact CG2-CB 4.47Å; T666-P674 HydrophobicContact CG2-CG 4.03Å |
| 667 | L | 94.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.021 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60 | -25.8 | 172.7 | -71.5 | 173.7 | 0 | 0 | 0 | 112.9 | A607 I611 L635 L663 S664 L761 F762 | A607-L667 HydrophobicContact CB-CD2 3.73Å; A607-L667 HydrophobicContact CB-CG 4.32Å; I611-L667 HydrophobicContact CD1-CD2 4.38Å; I611-L667 HydrophobicContact CG1-CD2 4.31Å; L635-L667 HydrophobicContact CB-CD1 3.89Å; L635-L667 HydrophobicContact CD1-CD1 4.44Å; L663-L667 WeakPolarHBondContact O-CG 3.42Å; L663-L667 PolarHBondContact O-N 3.36Å; S664-L667 PolarHBondContact O-N 3.37Å; L667-L761 HydrophobicContact CD2-CD1 4.08Å; L667-L761 WeakPolarHBondContact O-CD1 3.28Å; L667-F762 HydrophobicContact CB-CE2 4.36Å; L667-F762 HydrophobicContact CB-CZ 4.15Å; L667-F762 HydrophobicContact CD1-CZ 4.5Å |
| 668 | M | 91.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 14.8 | 178 | -62.3 | -179.2 | -73.2 | 0 | 0 | 112.4 | S664 F665 T666 F758 F762 L774 I777 K778 I781 | S664-M668 VanDerWaalsContact O-CE 3.23Å; S664-M668 WeakPolarHBondContact O-CE 3.47Å; S664-M668 PolarHBondContact O-N 3.43Å; F665-M668 CarbonylContact O-C 3.41Å; F665-M668 PolarHBondContact O-N 2.95Å; T666-M668 PolarHBondContact O-N 2.88Å; M668-F758 HydrophobicContact CB-CD2 4.27Å; M668-F758 WeakPolarHBondContact O-CB 3.43Å; M668-F762 HydrophobicContact CG-CE2 3.73Å; M668-F762 HydrophobicContact CG-CZ 4.27Å; M668-L774 HydrophobicContact SD-CB 4.23Å; M668-L774 HydrophobicContact SD-CD2 4.31Å; M668-I777 HydrophobicContact CE-CG2 4.14Å; M668-K778 HydrophobicContact CB-CD 3.99Å; M668-K778 HydrophobicContact CB-CG 4.41Å; M668-K778 HydrophobicContact CE-CB 3.87Å; M668-K778 HydrophobicContact CE-CG 4.36Å; M668-K778 WeakPolarHBondContact O-CE 3.42Å; M668-K778 PolarHBondContact O-NZ 3.44Å; M668-K778 HydrophobicContact SD-CB 4Å; M668-I781 HydrophobicContact CE-CD1 3.86Å |
| 669 | S | 90.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 10.9 Ų | 10.9 | 4% | 0.035 | 6% | 0.055 | C | C | . | . | trans | -98 | 145.1 | -177.8 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | F665 T666 E673 P674 | F665-S669 PolarHBondContact O-N 3.31Å; F665-S669 PolarHBondContact O-OG 3.39Å; T666-S669 WeakPolarHBondContact O-CB 3.5Å; T666-S669 PolarHBondContact O-N 3.2Å; S669-E673 WeakPolarHBondContact CA-OE2 3.46Å; S669-E673 WeakPolarHBondContact CB-OE2 3.24Å; S669-P674 WeakPolarHBondContact OG-CG 3.44Å | ||
| 670 | V | 87.5 | Confident | 92.9 | Very high | 8 Ų | 8 | 9.4 Ų | 9.4 | 5% | 0.048 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -121.5 | -3.9 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | V567 P571 R572 Y573 E673 F758 | V567-V670 HydrophobicContact CG1-CG2 3.24Å; P571-V670 HydrophobicContact CB-CB 4.29Å; R572-V670 CarbonylContact C-O 3.53Å; R572-V670 PolarHBondContact N-O 3.22Å; Y573-V670 HydrophobicContact CE1-CB 4.28Å; Y573-V670 HydrophobicContact CE1-CG1 4.21Å; V670-E673 PolarHBondContact N-OE2 3.5Å; V670-F758 HydrophobicContact CG1-CB 3.9Å |
| 671 | S | 88 | Confident | 92.9 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 4% | 0.042 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -158.4 | -143.4 | 177.5 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | V576 E673 P674 | V576-S671 VanDerWaalsContact CG2-O 3.24Å; V576-S671 WeakPolarHBondContact CG2-O 3.41Å; S671-E673 PolarHBondContact O-N 3.42Å; S671-P674 WeakPolarHBondContact O-CD 3.27Å |
| 672 | Y | 87.7 | Confident | 92.9 | Very high | 31 Ų | 31 | 12.1 Ų | 12.1 | 12% | 0.122 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -67.4 | 6.2 | -178.1 | 55.2 | -101.6 | 0 | 0 | 0 | 116 | F561 L564 P565 V567 L575 P674 I675 F676 | F561-Y672 AromaticContact CD1-CD2 3.88Å; F561-Y672 HydrophobicContact CD1-CD2 3.88Å; F561-Y672 HydrophobicContact CD1-CE2 4.07Å; F561-Y672 AromaticContact CE1-CD2 3.77Å; F561-Y672 HydrophobicContact CE1-CD2 3.77Å; F561-Y672 HydrophobicContact CE1-CE2 4.42Å; L564-Y672 HydrophobicContact CB-CE2 4.26Å; L564-Y672 WeakPolarHBondContact CB-OH 3.35Å; L564-Y672 HydrophobicContact CD1-CD2 4.18Å; L564-Y672 HydrophobicContact CD1-CE1 4.45Å; L564-Y672 HydrophobicContact CD1-CE2 3.98Å; P565-Y672 PolarHBondContact O-OH 2.95Å; V567-Y672 HydrophobicContact CG2-CD1 4.44Å; V567-Y672 HydrophobicContact CG2-CD2 4.33Å; V567-Y672 HydrophobicContact CG2-CE1 3.82Å; V567-Y672 HydrophobicContact CG2-CE2 3.68Å; L575-Y672 HydrophobicContact CD1-CD1 4.37Å; Y672-P674 VanDerWaalsContact C-CD 3.42Å; Y672-I675 WeakPolarHBondContact O-CB 3.12Å; Y672-I675 PolarHBondContact O-N 3.38Å; Y672-I675 VanDerWaalsContact O-N 3.09Å; Y672-F676 PolarHBondContact O-N 3.35Å |
| 673 | E | 88.7 | Confident | 92.9 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -53.6 | -41.7 | -178.4 | -55.2 | 165.5 | 117.4 | 0 | 0 | 113.4 | V567 F665 S669 V670 S671 I675 F676 F677 K778 | V567-E673 HydrophobicContact CB-CG 4.27Å; V567-E673 HydrophobicContact CG1-CG 3.84Å; V567-E673 HydrophobicContact CG2-CG 3.97Å; F665-E673 HydrophobicContact CE1-CB 3.7Å; F665-E673 WeakPolarHBondContact CE1-O 3.33Å; F665-E673 HydrophobicContact CZ-CB 4.05Å; S669-E673 WeakPolarHBondContact CA-OE2 3.46Å; S669-E673 WeakPolarHBondContact CB-OE2 3.24Å; V670-E673 PolarHBondContact N-OE2 3.5Å; S671-E673 PolarHBondContact O-N 3.42Å; E673-I675 VanDerWaalsContact C-N 3.27Å; E673-I675 PolarHBondContact O-N 3.02Å; E673-F676 WeakPolarHBondContact O-CB 3.5Å; E673-F676 PolarHBondContact O-N 3.41Å; E673-F677 PolarHBondContact O-N 3.33Å; E673-K778 VanDerWaalsContact CD-NZ 3.29Å; E673-K778 IonicContact OE1-NZ 2.65Å; E673-K778 PolarHBondContact OE1-NZ 2.67Å; E673-K778 IonicContact OE2-NZ 3.12Å; E673-K778 PolarHBondContact OE2-NZ 2.79Å |
| 674 | P | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.9 | -31.2 | 178.7 | -22.9 | 35 | 0 | 0 | 0 | 113.5 | F579 L662 T666 S669 S671 Y672 F677 V678 | F579-P674 HydrophobicContact CD1-CB 3.37Å; F579-P674 HydrophobicContact CD1-CG 4.1Å; F579-P674 HydrophobicContact CD2-CB 4.19Å; F579-P674 HydrophobicContact CE1-CB 3.28Å; F579-P674 HydrophobicContact CE1-CG 4.34Å; F579-P674 HydrophobicContact CE2-CB 4.1Å; F579-P674 HydrophobicContact CG-CB 3.83Å; F579-P674 HydrophobicContact CZ-CB 3.65Å; L662-P674 HydrophobicContact CD1-CB 4.24Å; T666-P674 HydrophobicContact CG2-CB 4.47Å; T666-P674 HydrophobicContact CG2-CG 4.03Å; S669-P674 WeakPolarHBondContact OG-CG 3.44Å; S671-P674 WeakPolarHBondContact O-CD 3.27Å; Y672-P674 VanDerWaalsContact C-CD 3.42Å; P674-F677 WeakPolarHBondContact O-CB 3.39Å; P674-F677 PolarHBondContact O-N 3.12Å; P674-V678 WeakPolarHBondContact O-CG2 3.5Å; P674-V678 PolarHBondContact O-N 3.07Å; P674-V678 VanDerWaalsContact O-N 3.08Å |
| 675 | I | 92.6 | Very high | 92.7 | Very high | 65 Ų | 65 | 14.2 Ų | 14.2 | 33% | 0.333 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -67 | -46.4 | 176.4 | -56.2 | 172.2 | 0 | 0 | 0 | 109.4 | F561 F579 Y672 E673 F677 V678 I679 | F561-I675 HydrophobicContact CZ-CB 4.3Å; F561-I675 HydrophobicContact CZ-CG2 3.9Å; F579-I675 HydrophobicContact CB-CG1 4.38Å; F579-I675 HydrophobicContact CD2-CG1 3.7Å; F579-I675 HydrophobicContact CE2-CG1 4.4Å; F579-I675 HydrophobicContact CG-CG1 4.34Å; Y672-I675 WeakPolarHBondContact O-CB 3.12Å; Y672-I675 PolarHBondContact O-N 3.38Å; Y672-I675 VanDerWaalsContact O-N 3.09Å; E673-I675 VanDerWaalsContact C-N 3.27Å; E673-I675 PolarHBondContact O-N 3.02Å; I675-F677 VanDerWaalsContact C-N 3.27Å; I675-F677 PolarHBondContact O-N 2.83Å; I675-V678 PolarHBondContact O-N 3.13Å; I675-I679 HydrophobicContact CG2-CD1 3.96Å; I675-I679 WeakPolarHBondContact O-CG1 3.37Å; I675-I679 PolarHBondContact O-N 3.47Å; I675-I679 VanDerWaalsContact O-N 3.11Å |
| 676 | F | 91.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.2 | -46.4 | 172.8 | 165.5 | -104.9 | 0 | 0 | 0 | 110.7 | F561 Y672 E673 V678 I679 Y680 L734 Q739 | F561-F676 HydrophobicContact CB-CD2 3.95Å; F561-F676 HydrophobicContact CD1-CB 3.69Å; F561-F676 HydrophobicContact CD1-CD2 4.27Å; F561-F676 HydrophobicContact CD1-CG 4.37Å; F561-F676 HydrophobicContact CD2-CB 4.46Å; F561-F676 HydrophobicContact CD2-CD2 4.09Å; F561-F676 HydrophobicContact CE1-CB 3.74Å; F561-F676 HydrophobicContact CG-CB 4.07Å; F561-F676 AromaticContact CG-CD2 3.82Å; F561-F676 HydrophobicContact CG-CD2 3.82Å; F561-F676 HydrophobicContact CG-CG 4.37Å; F561-F676 HydrophobicContact CZ-CB 4.21Å; Y672-F676 PolarHBondContact O-N 3.35Å; E673-F676 WeakPolarHBondContact O-CB 3.5Å; E673-F676 PolarHBondContact O-N 3.41Å; F676-V678 VanDerWaalsContact C-N 3.33Å; F676-V678 PolarHBondContact O-N 3Å; F676-I679 PolarHBondContact O-N 3.01Å; F676-Y680 HydrophobicContact CZ-CD2 4.26Å; F676-Y680 HydrophobicContact CZ-CG 4.29Å; F676-Y680 VanDerWaalsContact O-CB 3.24Å; F676-Y680 WeakPolarHBondContact O-CB 3.14Å; F676-Y680 PolarHBondContact O-N 3.13Å; F676-L734 HydrophobicContact CE2-CD1 4.16Å; F676-L734 HydrophobicContact CE2-CG 4.19Å; F676-L734 HydrophobicContact CZ-CD1 4.45Å; F676-L734 HydrophobicContact CZ-CG 4.17Å; F676-L734 VanDerWaalsContact CZ-O 3.32Å; F676-L734 WeakPolarHBondContact CZ-O 3.39Å; F676-Q739 HydrophobicContact CD1-CB 4.47Å; F676-Q739 HydrophobicContact CE1-CB 4.29Å |
| 677 | F | 93 | Very high | 92.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.9 | -42.6 | -179.7 | -169.8 | -87.3 | 0 | 0 | 0 | 113.4 | L661 L662 F665 E673 P674 I675 T681 I781 P782 I785 | L661-F677 HydrophobicContact CB-CZ 4.5Å; L662-F677 HydrophobicContact CB-CD1 3.96Å; L662-F677 HydrophobicContact CB-CE1 3.7Å; L662-F677 HydrophobicContact CD1-CB 4.19Å; L662-F677 HydrophobicContact CD1-CD1 3.56Å; L662-F677 HydrophobicContact CD1-CE1 4.19Å; L662-F677 HydrophobicContact CD1-CG 4.08Å; L662-F677 HydrophobicContact CG-CD1 4.24Å; L662-F677 HydrophobicContact CG-CE1 4.48Å; F665-F677 HydrophobicContact CB-CD2 4.35Å; F665-F677 HydrophobicContact CB-CE2 4.25Å; F665-F677 HydrophobicContact CD1-CB 3.97Å; F665-F677 AromaticContact CD1-CD2 3.82Å; F665-F677 HydrophobicContact CD1-CD2 3.82Å; F665-F677 HydrophobicContact CD1-CG 4.03Å; F665-F677 AromaticContact CD2-CD2 3.91Å; F665-F677 HydrophobicContact CD2-CD2 3.91Å; F665-F677 HydrophobicContact CD2-CE2 4.02Å; F665-F677 HydrophobicContact CE1-CB 3.93Å; F665-F677 HydrophobicContact CE1-CD2 4.04Å; F665-F677 HydrophobicContact CE1-CG 4.33Å; F665-F677 HydrophobicContact CE2-CD2 4.13Å; F665-F677 AromaticContact CG-CD2 3.74Å; F665-F677 HydrophobicContact CG-CD2 3.74Å; F665-F677 AromaticContact CG-CE2 4Å; F665-F677 HydrophobicContact CG-CE2 4Å; F665-F677 HydrophobicContact CG-CG 4.31Å; F665-F677 HydrophobicContact CZ-CD2 4.19Å; E673-F677 PolarHBondContact O-N 3.33Å; P674-F677 WeakPolarHBondContact O-CB 3.39Å; P674-F677 PolarHBondContact O-N 3.12Å; I675-F677 VanDerWaalsContact C-N 3.27Å; I675-F677 PolarHBondContact O-N 2.83Å; F677-T681 WeakPolarHBondContact O-CB 3.33Å; F677-T681 PolarHBondContact O-N 3.34Å; F677-T681 PolarHBondContact O-OG1 3.47Å; F677-I781 HydrophobicContact CE2-CG2 3.54Å; F677-I781 HydrophobicContact CZ-CG2 3.57Å; F677-P782 HydrophobicContact CD2-CG 4.44Å; F677-P782 HydrophobicContact CE2-CG 4.21Å; F677-I785 HydrophobicContact CE1-CD1 3.6Å; F677-I785 HydrophobicContact CE2-CD1 4.11Å; F677-I785 HydrophobicContact CZ-CD1 3.2Å; F677-I785 HydrophobicContact CZ-CG1 4.41Å |
| 678 | V | 95.5 | Very high | 92.5 | Very high | 28 Ų | 28 | 15.3 Ų | 15.3 | 17% | 0.17 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | F579 W583 L662 P674 I675 F676 T681 T682 | F579-V678 HydrophobicContact CE2-CG2 3.78Å; F579-V678 HydrophobicContact CZ-CG2 3.7Å; W583-V678 HydrophobicContact CE3-CG2 4.13Å; W583-V678 HydrophobicContact CH2-CB 4.49Å; W583-V678 HydrophobicContact CH2-CG1 3.91Å; W583-V678 HydrophobicContact CH2-CG2 3.69Å; W583-V678 HydrophobicContact CZ2-CG2 4.2Å; W583-V678 HydrophobicContact CZ3-CB 4.38Å; W583-V678 HydrophobicContact CZ3-CG1 3.75Å; W583-V678 HydrophobicContact CZ3-CG2 3.65Å; L662-V678 HydrophobicContact CD1-CG2 4.32Å; L662-V678 HydrophobicContact CD2-CG2 3.71Å; P674-V678 WeakPolarHBondContact O-CG2 3.5Å; P674-V678 PolarHBondContact O-N 3.07Å; P674-V678 VanDerWaalsContact O-N 3.08Å; I675-V678 PolarHBondContact O-N 3.13Å; F676-V678 VanDerWaalsContact C-N 3.33Å; F676-V678 PolarHBondContact O-N 3Å; V678-T681 PolarHBondContact O-N 3.49Å; V678-T682 VanDerWaalsContact O-CB 3.26Å; V678-T682 WeakPolarHBondContact O-CB 3.4Å; V678-T682 PolarHBondContact O-N 3.11Å; V678-T682 PolarHBondContact O-OG1 3.28Å |
| 679 | I | 95.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 17.8 Ų | 17.8 | 16% | 0.164 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -47.6 | 179.5 | -68.4 | 165.8 | 0 | 0 | 0 | 110.4 | L554 A557 D558 F561 I675 F676 T681 T682 H683 | L554-I679 HydrophobicContact CD2-CG2 4.22Å; A557-I679 HydrophobicContact CB-CD1 4.29Å; A557-I679 HydrophobicContact CB-CG2 3.84Å; D558-I679 WeakPolarHBondContact OD1-CG2 3.32Å; F561-I679 HydrophobicContact CE2-CD1 3.43Å; F561-I679 VanDerWaalsContact CE2-CD1 3.43Å; F561-I679 HydrophobicContact CZ-CD1 3.88Å; I675-I679 HydrophobicContact CG2-CD1 3.96Å; I675-I679 WeakPolarHBondContact O-CG1 3.37Å; I675-I679 PolarHBondContact O-N 3.47Å; I675-I679 VanDerWaalsContact O-N 3.11Å; F676-I679 PolarHBondContact O-N 3.01Å; I679-T681 PolarHBondContact O-N 3.12Å; I679-T682 PolarHBondContact O-N 2.89Å; I679-H683 WeakPolarHBondContact O-CB 3.33Å; I679-H683 PolarHBondContact O-N 3.43Å |
| 680 | Y | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -53.6 | -51.7 | 174.2 | 167.7 | -100.6 | 0 | 0 | 0 | 112.1 | F676 T682 H683 M684 F731 L734 P782 | F676-Y680 HydrophobicContact CZ-CD2 4.26Å; F676-Y680 HydrophobicContact CZ-CG 4.29Å; F676-Y680 VanDerWaalsContact O-CB 3.24Å; F676-Y680 WeakPolarHBondContact O-CB 3.14Å; F676-Y680 PolarHBondContact O-N 3.13Å; Y680-T682 PolarHBondContact O-N 3.32Å; Y680-H683 PolarHBondContact O-N 2.8Å; Y680-M684 HydrophobicContact CE1-CE 4.06Å; Y680-M684 WeakPolarHBondContact O-CB 3.43Å; Y680-M684 PolarHBondContact O-N 2.89Å; Y680-F731 HydrophobicContact CD2-CD1 4.19Å; Y680-F731 HydrophobicContact CE2-CB 4.11Å; Y680-F731 AromaticContact CE2-CD1 3.82Å; Y680-F731 HydrophobicContact CE2-CD1 3.82Å; Y680-F731 HydrophobicContact CE2-CG 4.44Å; Y680-F731 VanDerWaalsContact CE2-O 3.26Å; Y680-F731 WeakPolarHBondContact CE2-O 3.49Å; Y680-F731 PolarHBondContact OH-O 3.22Å; Y680-L734 HydrophobicContact CD2-CD2 3.97Å; Y680-L734 HydrophobicContact CD2-CG 4.14Å; Y680-L734 HydrophobicContact CE2-CB 4.46Å; Y680-P782 HydrophobicContact CE1-CB 3.85Å; Y680-P782 PolarHBondContact OH-O 3.31Å |
| 681 | T | 95.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.043 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | -179 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | A658 F677 V678 I679 M684 Y685 I785 | A658-T681 HydrophobicContact CB-CG2 3.82Å; F677-T681 WeakPolarHBondContact O-CB 3.33Å; F677-T681 PolarHBondContact O-N 3.34Å; F677-T681 PolarHBondContact O-OG1 3.47Å; V678-T681 PolarHBondContact O-N 3.49Å; I679-T681 PolarHBondContact O-N 3.12Å; T681-M684 PolarHBondContact O-N 3.45Å; T681-Y685 HydrophobicContact CG2-CD2 4.23Å; T681-Y685 HydrophobicContact CG2-CE1 4.19Å; T681-Y685 HydrophobicContact CG2-CE2 3.87Å; T681-Y685 PolarHBondContact O-N 3.25Å; T681-I785 HydrophobicContact CG2-CD1 4.41Å; T681-I785 HydrophobicContact CG2-CG2 3.96Å |
| 682 | T | 95.6 | Very high | 92.2 | Very high | 49 Ų | 49 | 18.1 Ų | 18.1 | 30% | 0.301 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -64 | -47.5 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | F550 L554 V678 I679 Y680 M684 Y685 V686 | F550-T682 HydrophobicContact CE1-CG2 4.28Å; F550-T682 HydrophobicContact CZ-CG2 4.08Å; L554-T682 HydrophobicContact CD1-CG2 4.07Å; L554-T682 HydrophobicContact CD2-CG2 4.29Å; V678-T682 VanDerWaalsContact O-CB 3.26Å; V678-T682 WeakPolarHBondContact O-CB 3.4Å; V678-T682 PolarHBondContact O-N 3.11Å; V678-T682 PolarHBondContact O-OG1 3.28Å; I679-T682 PolarHBondContact O-N 2.89Å; Y680-T682 PolarHBondContact O-N 3.32Å; T682-M684 VanDerWaalsContact C-N 3.31Å; T682-M684 PolarHBondContact O-N 3.26Å; T682-Y685 PolarHBondContact O-N 2.94Å; T682-V686 HydrophobicContact CG2-CG2 4.32Å; T682-V686 WeakPolarHBondContact O-CB 3.5Å; T682-V686 WeakPolarHBondContact O-CG2 3.46Å; T682-V686 PolarHBondContact O-N 3.32Å |
| 683 | H | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 178.2 | -170.9 | -175.7 | 0 | 0 | 0 | 111.4 | F551 L554 C555 D558 I679 Y680 V686 W687 F731 | F551-H683 AromaticContact CD1-NE2 3.94Å; F551-H683 AromaticContact CE1-NE2 3.43Å; F551-H683 WeakPolarHBondContact CE1-NE2 3.19Å; F551-H683 AromaticContact CE2-CD2 3.94Å; F551-H683 AromaticContact CE2-NE2 3.76Å; F551-H683 AromaticContact CZ-CD2 3.99Å; F551-H683 AromaticContact CZ-NE2 3.32Å; F551-H683 VanDerWaalsContact CZ-NE2 3.32Å; F551-H683 WeakPolarHBondContact CZ-NE2 3.09Å; L554-H683 HydrophobicContact CB-CB 4.02Å; L554-H683 HydrophobicContact CD1-CB 4.19Å; C555-H683 VanDerWaalsContact SG-CE1 3.51Å; D558-H683 IonicContact OD2-CE1 3.18Å; D558-H683 IonicContact OD2-CG 3.26Å; D558-H683 IonicContact OD2-ND1 2.73Å; D558-H683 PolarHBondContact OD2-ND1 2.58Å; I679-H683 WeakPolarHBondContact O-CB 3.33Å; I679-H683 PolarHBondContact O-N 3.43Å; Y680-H683 PolarHBondContact O-N 2.8Å; H683-V686 PolarHBondContact O-N 2.8Å; H683-W687 WeakPolarHBondContact O-CB 3.48Å; H683-W687 PolarHBondContact O-N 2.93Å; H683-F731 HydrophobicContact CB-CE1 4.35Å; H683-F731 AromaticContact ND1-CE1 4Å |
| 684 | M | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 177.7 | -171.9 | 169.8 | 54.7 | 0 | 0 | 113 | Y680 T681 T682 W687 V688 F731 I785 A786 S789 | Y680-M684 HydrophobicContact CE1-CE 4.06Å; Y680-M684 WeakPolarHBondContact O-CB 3.43Å; Y680-M684 PolarHBondContact O-N 2.89Å; T681-M684 PolarHBondContact O-N 3.45Å; T682-M684 VanDerWaalsContact C-N 3.31Å; T682-M684 PolarHBondContact O-N 3.26Å; M684-W687 HydrophobicContact CG-CE3 4.08Å; M684-W687 HydrophobicContact CG-CZ3 4.48Å; M684-W687 WeakPolarHBondContact O-CB 3.4Å; M684-W687 PolarHBondContact O-N 2.9Å; M684-V688 WeakPolarHBondContact O-CG2 3.42Å; M684-V688 PolarHBondContact O-N 3.44Å; M684-F731 HydrophobicContact CB-CD1 4.19Å; M684-F731 HydrophobicContact CB-CE1 4.07Å; M684-F731 HydrophobicContact CB-CE2 4.49Å; M684-F731 HydrophobicContact CB-CG 4.47Å; M684-F731 HydrophobicContact CB-CZ 4.23Å; M684-F731 HydrophobicContact CG-CD1 4.47Å; M684-F731 HydrophobicContact CG-CD2 4.19Å; M684-F731 HydrophobicContact CG-CE2 4.37Å; M684-F731 HydrophobicContact CG-CG 4.26Å; M684-F731 HydrophobicContact SD-CB 4.21Å; M684-F731 HydrophobicContact SD-CG 4.24Å; M684-I785 HydrophobicContact CE-CB 3.95Å; M684-I785 HydrophobicContact CE-CG2 3.28Å; M684-A786 HydrophobicContact CE-CB 4.46Å; M684-A786 WeakPolarHBondContact SD-CA 3.4Å; M684-A786 HydrophobicContact SD-CB 3.8Å; M684-S789 VanDerWaalsContact CE-OG 3.23Å; M684-S789 WeakPolarHBondContact CE-OG 3.5Å |
| 685 | Y | 93.2 | Very high | 90.1 | Very high | 52 Ų | 52 | 29.5 Ų | 29.5 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68 | -38 | 176.4 | -73.3 | -0.2 | 0 | 0 | 0 | 112.4 | L654 A658 T681 T682 W687 V688 A689 I785 S789 | L654-Y685 HydrophobicContact CB-CE2 4.1Å; L654-Y685 HydrophobicContact CD1-CE1 4.47Å; L654-Y685 HydrophobicContact CD2-CE1 4.31Å; L654-Y685 PolarHBondContact O-OH 3.5Å; A658-Y685 HydrophobicContact CB-CE2 4.06Å; T681-Y685 HydrophobicContact CG2-CD2 4.23Å; T681-Y685 HydrophobicContact CG2-CE1 4.19Å; T681-Y685 HydrophobicContact CG2-CE2 3.87Å; T681-Y685 PolarHBondContact O-N 3.25Å; T682-Y685 PolarHBondContact O-N 2.94Å; Y685-W687 VanDerWaalsContact C-N 3.33Å; Y685-V688 PolarHBondContact O-N 3.19Å; Y685-A689 PolarHBondContact O-N 3.27Å; Y685-I785 HydrophobicContact CE1-CG2 4Å; Y685-S789 VanDerWaalsContact CE1-OG 3.32Å; Y685-S789 WeakPolarHBondContact CE1-OG 3.32Å |
| 686 | V | 92.8 | Very high | 89 | Confident | 16 Ų | 16 | 31 Ų | 31 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 172.6 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | L547 F550 F551 L554 T682 H683 A689 V690 | L547-V686 HydrophobicContact CD1-CG1 3.81Å; F550-V686 HydrophobicContact CD1-CG1 4.39Å; F550-V686 HydrophobicContact CD1-CG2 3.97Å; F550-V686 HydrophobicContact CE1-CG2 3.6Å; F551-V686 HydrophobicContact CD2-CG1 3.94Å; L554-V686 HydrophobicContact CD1-CB 4.37Å; L554-V686 HydrophobicContact CD1-CG2 4.01Å; T682-V686 HydrophobicContact CG2-CG2 4.32Å; T682-V686 WeakPolarHBondContact O-CB 3.5Å; T682-V686 WeakPolarHBondContact O-CG2 3.46Å; T682-V686 PolarHBondContact O-N 3.32Å; H683-V686 PolarHBondContact O-N 2.8Å; V686-A689 WeakPolarHBondContact O-CB 3.34Å; V686-A689 PolarHBondContact O-N 3Å; V686-V690 HydrophobicContact CG1-CG2 4.45Å; V686-V690 WeakPolarHBondContact O-CG2 3.37Å; V686-V690 PolarHBondContact O-N 3.5Å |
| 687 | W | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 173.4 | 165.8 | 61.4 | 0 | 0 | 0 | 111.9 | F551 H683 M684 Y685 A689 V690 E691 R724 F727 F728 F731 L793 | F551-W687 HydrophobicContact CE2-CB 3.96Å; H683-W687 WeakPolarHBondContact O-CB 3.48Å; H683-W687 PolarHBondContact O-N 2.93Å; M684-W687 HydrophobicContact CG-CE3 4.08Å; M684-W687 HydrophobicContact CG-CZ3 4.48Å; M684-W687 WeakPolarHBondContact O-CB 3.4Å; M684-W687 PolarHBondContact O-N 2.9Å; Y685-W687 VanDerWaalsContact C-N 3.33Å; W687-A689 VanDerWaalsContact C-N 3.31Å; W687-A689 PolarHBondContact O-N 3.05Å; W687-V690 PolarHBondContact O-N 3.03Å; W687-E691 HydrophobicContact CZ2-CG 4.39Å; W687-E691 VanDerWaalsContact NE1-CG 3.33Å; W687-E691 PolarHBondContact NE1-OE1 3.29Å; W687-E691 WeakPolarHBondContact O-CG 3.44Å; W687-E691 PolarHBondContact O-N 3.35Å; W687-R724 HydrophobicContact CZ2-CB 4.29Å; W687-R724 WeakPolarHBondContact CZ2-O 3.42Å; W687-F727 AromaticContact CD1-CD2 3.97Å; W687-F727 HydrophobicContact CZ2-CB 3.84Å; W687-F727 AromaticContact NE1-CD2 3.47Å; W687-F728 HydrophobicContact CH2-CB 4.1Å; W687-F731 HydrophobicContact CB-CE2 4.01Å; W687-F731 HydrophobicContact CB-CZ 4.15Å; W687-F731 HydrophobicContact CD2-CD2 4.32Å; W687-F731 AromaticContact CD2-CE2 3.68Å; W687-F731 HydrophobicContact CD2-CE2 3.68Å; W687-F731 AromaticContact CE3-CD2 3.88Å; W687-F731 HydrophobicContact CE3-CD2 3.88Å; W687-F731 AromaticContact CE3-CE2 3.6Å; W687-F731 HydrophobicContact CE3-CE2 3.6Å; W687-F731 AromaticContact CG-CE2 3.85Å; W687-F731 HydrophobicContact CG-CE2 3.85Å; W687-F731 HydrophobicContact CG-CZ 4.45Å; W687-F731 HydrophobicContact CZ3-CD2 4.16Å; W687-F731 HydrophobicContact CZ3-CE2 4.32Å; W687-L793 HydrophobicContact CH2-CD2 3.53Å; W687-L793 HydrophobicContact CZ2-CD2 3.65Å; W687-L793 HydrophobicContact CZ3-CD2 4.27Å |
| 688 | V | 90.9 | Very high | 87 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -45.4 | 174.1 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | M684 Y685 V690 E691 T692 T792 L793 | M684-V688 WeakPolarHBondContact O-CG2 3.42Å; M684-V688 PolarHBondContact O-N 3.44Å; Y685-V688 PolarHBondContact O-N 3.19Å; V688-V690 PolarHBondContact O-N 3.01Å; V688-E691 PolarHBondContact O-N 2.78Å; V688-T692 HydrophobicContact CG1-CG2 4.19Å; V688-T692 VanDerWaalsContact O-CG2 3.28Å; V688-T692 WeakPolarHBondContact O-CG2 3.16Å; V688-T692 PolarHBondContact O-N 3.11Å; V688-T692 PolarHBondContact O-OG1 2.85Å; V688-T792 HydrophobicContact CG1-CG2 4.11Å; V688-L793 HydrophobicContact CG1-CB 4.35Å; V688-L793 HydrophobicContact CG2-CB 4.39Å |
| 689 | A | 88.5 | Confident | 85.9 | Confident | 52 Ų | 52 | 40.6 Ų | 40.6 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y685 V686 W687 E691 T692 | Y685-A689 PolarHBondContact O-N 3.27Å; V686-A689 WeakPolarHBondContact O-CB 3.34Å; V686-A689 PolarHBondContact O-N 3Å; W687-A689 VanDerWaalsContact C-N 3.31Å; W687-A689 PolarHBondContact O-N 3.05Å; A689-E691 VanDerWaalsContact C-N 3.35Å; A689-E691 PolarHBondContact O-N 3.26Å; A689-T692 PolarHBondContact O-OG1 3.12Å; A689-T692 VanDerWaalsContact O-OG1 3.06Å |
| 690 | V | 90.3 | Very high | 85 | Confident | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 175.6 | 169 | 0 | 0 | 0 | 0 | 111.2 | W536 I537 L540 L547 F551 V686 W687 V688 K693 | W536-V690 HydrophobicContact CH2-CG1 3.69Å; W536-V690 HydrophobicContact CZ3-CG1 4.18Å; I537-V690 HydrophobicContact CD1-CG1 3.72Å; I537-V690 HydrophobicContact CD1-CG2 4.07Å; L540-V690 HydrophobicContact CD1-CG1 3.82Å; L547-V690 HydrophobicContact CD1-CG2 4.35Å; L547-V690 HydrophobicContact CD2-CG2 3.75Å; L547-V690 HydrophobicContact CG-CG2 4Å; F551-V690 HydrophobicContact CD2-CG2 4.32Å; V686-V690 HydrophobicContact CG1-CG2 4.45Å; V686-V690 WeakPolarHBondContact O-CG2 3.37Å; V686-V690 PolarHBondContact O-N 3.5Å; W687-V690 PolarHBondContact O-N 3.03Å; V688-V690 PolarHBondContact O-N 3.01Å; V690-K693 PolarHBondContact O-N 3.25Å |
| 691 | E | 89.2 | Confident | 84 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -36.6 | -176.8 | -78.2 | -59.1 | 152.6 | 0 | 0 | 114.9 | W536 W687 V688 A689 K693 R723 R724 L793 | W536-E691 WeakPolarHBondContact CH2-OE1 3.35Å; W536-E691 WeakPolarHBondContact CZ2-OE1 3.23Å; W687-E691 HydrophobicContact CZ2-CG 4.39Å; W687-E691 VanDerWaalsContact NE1-CG 3.33Å; W687-E691 PolarHBondContact NE1-OE1 3.29Å; W687-E691 WeakPolarHBondContact O-CG 3.44Å; W687-E691 PolarHBondContact O-N 3.35Å; V688-E691 PolarHBondContact O-N 2.78Å; A689-E691 VanDerWaalsContact C-N 3.35Å; A689-E691 PolarHBondContact O-N 3.26Å; E691-K693 PolarHBondContact O-N 3.02Å; E691-R723 IonicContact OE1-CZ 3.82Å; E691-R723 IonicContact OE1-NH1 2.72Å; E691-R723 PolarHBondContact OE1-NH1 3.08Å; E691-R723 IonicContact OE1-NH2 3.85Å; E691-R723 PolarHBondContact OE1-NH2 2.72Å; E691-R723 IonicContact OE2-CZ 3.38Å; E691-R723 IonicContact OE2-NH1 3.64Å; E691-R723 IonicContact OE2-NH2 3.95Å; E691-R723 PolarHBondContact OE2-NH2 3.04Å; E691-R724 HydrophobicContact CG-CG 4.19Å; E691-R724 PolarHBondContact O-NH2 3.44Å; E691-R724 WeakPolarHBondContact OE2-CG 3.42Å; E691-R724 IonicContact OE2-CZ 2.79Å; E691-R724 IonicContact OE2-NE 2.88Å; E691-R724 PolarHBondContact OE2-NE 3.24Å; E691-R724 IonicContact OE2-NH2 3.76Å; E691-L793 HydrophobicContact CB-CD1 3.3Å; E691-L793 HydrophobicContact CG-CD1 3.95Å; E691-L793 HydrophobicContact CG-CD2 4.5Å |
| 692 | T | 84.5 | Confident | 83 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.2 | -21.5 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | V688 A689 L694 L793 F796 | V688-T692 HydrophobicContact CG1-CG2 4.19Å; V688-T692 VanDerWaalsContact O-CG2 3.28Å; V688-T692 WeakPolarHBondContact O-CG2 3.16Å; V688-T692 PolarHBondContact O-N 3.11Å; V688-T692 PolarHBondContact O-OG1 2.85Å; A689-T692 PolarHBondContact O-OG1 3.12Å; A689-T692 VanDerWaalsContact O-OG1 3.06Å; T692-L694 PolarHBondContact O-N 3.11Å; T692-L793 HydrophobicContact CG2-CD1 4.24Å; T692-F796 HydrophobicContact CG2-CB 3.37Å; T692-F796 HydrophobicContact CG2-CD2 3.75Å; T692-F796 HydrophobicContact CG2-CG 3.86Å |
| 693 | K | 79.8 | Confident | 82.4 | Confident | 149 Ų | 149 | 53 Ų | 53 | 65% | 0.648 | 27% | 0.27 | S | S | * | . | trans | 52.7 | 17.2 | -176.8 | -56.2 | -175.1 | -179.7 | -172.5 | 0 | 113.9 | V690 E691 | V690-K693 PolarHBondContact O-N 3.25Å; E691-K693 PolarHBondContact O-N 3.02Å | ||
| 694 | L | 73.2 | Confident | 81.5 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | trans | -89 | 141.9 | -175.9 | -75.8 | 168.2 | 0 | 0 | 0 | 110.9 | T692 V699 F796 | T692-L694 PolarHBondContact O-N 3.11Å; L694-V699 HydrophobicContact CB-CG2 4.13Å; L694-F796 HydrophobicContact CD1-CB 3.87Å; L694-F796 HydrophobicContact CD1-CD1 3.2Å; L694-F796 HydrophobicContact CD1-CE1 3.84Å; L694-F796 HydrophobicContact CD1-CG 3.69Å | ||
| 695 | P | 71 | Confident | 80.5 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 47% | 0.474 | 29% | 0.291 | S | S | . | . | trans | -63.6 | 142.4 | 170.2 | 24.7 | -30.6 | 0 | 0 | 0 | 110.8 | S697 W698 | P695-S697 PolarHBondContact O-N 3.32Å; P695-S697 VanDerWaalsContact O-N 3.11Å; P695-W698 HydrophobicContact CG-CG 4.07Å; P695-W698 PolarHBondContact O-N 3.26Å | ||
| 696 | S | 69.9 | Low | 79.2 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56.5 | -31.1 | -174.3 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | W698 V699 L700 | S696-W698 PolarHBondContact O-N 3.07Å; S696-V699 PolarHBondContact O-N 3.46Å; S696-L700 WeakPolarHBondContact O-CG 3.49Å; S696-L700 PolarHBondContact O-N 3.48Å |
| 697 | S | 73.2 | Confident | 77.3 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -23.1 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | P695 R701 | P695-S697 PolarHBondContact O-N 3.32Å; P695-S697 VanDerWaalsContact O-N 3.11Å; S697-R701 PolarHBondContact O-NE 2.61Å |
| 698 | W | 68.7 | Low | 75.1 | Confident | 141 Ų | 141 | 68.7 Ų | 68.7 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -83.1 | -42.4 | 177.2 | -75.4 | 50.6 | 0 | 0 | 0 | 111 | P695 S696 L700 R701 | P695-W698 HydrophobicContact CG-CG 4.07Å; P695-W698 PolarHBondContact O-N 3.26Å; S696-W698 PolarHBondContact O-N 3.07Å; W698-L700 VanDerWaalsContact C-N 3.26Å; W698-L700 PolarHBondContact O-N 3.45Å; W698-R701 PolarHBondContact O-N 3.2Å; W698-R701 VanDerWaalsContact O-N 3.11Å |
| 699 | V | 72.7 | Confident | 73 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 179.8 | -178 | 0 | 0 | 0 | 0 | 111.6 | V651 L694 S696 R701 W702 F796 | V651-V699 HydrophobicContact CG2-CG1 4.01Å; L694-V699 HydrophobicContact CB-CG2 4.13Å; S696-V699 PolarHBondContact O-N 3.46Å; V699-R701 PolarHBondContact O-N 2.63Å; V699-W702 PolarHBondContact O-N 3.31Å; V699-F796 HydrophobicContact CG1-CZ 4.43Å |
| 700 | L | 76.1 | Confident | 70.8 | Confident | 83 Ų | 83 | 79.4 Ų | 79.4 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.2 | 178.9 | -73.6 | 165.5 | 0 | 0 | 0 | 114.5 | V651 S696 W698 | V651-L700 HydrophobicContact CB-CD2 4.46Å; V651-L700 HydrophobicContact CG1-CD2 4.26Å; V651-L700 HydrophobicContact CG2-CD2 4.06Å; S696-L700 WeakPolarHBondContact O-CG 3.49Å; S696-L700 PolarHBondContact O-N 3.48Å; W698-L700 VanDerWaalsContact C-N 3.26Å; W698-L700 PolarHBondContact O-N 3.45Å |
| 701 | R | 75.4 | Confident | 68.8 | Low | 177 Ų | 177 | 82 Ų | 82 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -5.5 | -175.5 | -69.9 | -173.3 | -78.3 | -173.7 | 1.2 | 113.7 | S697 W698 V699 | S697-R701 PolarHBondContact O-NE 2.61Å; W698-R701 PolarHBondContact O-N 3.2Å; W698-R701 VanDerWaalsContact O-N 3.11Å; V699-R701 PolarHBondContact O-N 2.63Å |
| 702 | W | 75.2 | Confident | 66.8 | Low | 57 Ų | 57 | 85 Ų | 85 | 22% | 0.216 | 44% | 0.444 | C | S | . | . | trans | -84.2 | 140.9 | -173.3 | -154.6 | -74.2 | 0 | 0 | 0 | 112.5 | L649 V650 V699 M795 F796 | L649-W702 WeakPolarHBondContact CA-O 3.45Å; V650-W702 HydrophobicContact CG2-CB 4.18Å; V650-W702 PolarHBondContact N-O 2.97Å; V699-W702 PolarHBondContact O-N 3.31Å; W702-M795 VanDerWaalsContact CD1-SD 3.55Å; W702-M795 PolarHBondContact NE1-SD 3.5Å; W702-M795 VanDerWaalsContact NE1-SD 3.37Å; W702-F796 HydrophobicContact CB-CE1 3.98Å; W702-F796 HydrophobicContact CB-CZ 3.94Å; W702-F796 HydrophobicContact CD2-CD1 4.4Å; W702-F796 AromaticContact CD2-CE1 3.62Å; W702-F796 HydrophobicContact CD2-CE1 3.62Å; W702-F796 HydrophobicContact CD2-CZ 4.38Å; W702-F796 HydrophobicContact CE3-CD1 4.42Å; W702-F796 AromaticContact CE3-CE1 3.79Å; W702-F796 HydrophobicContact CE3-CE1 3.79Å; W702-F796 AromaticContact CG-CE1 3.7Å; W702-F796 HydrophobicContact CG-CE1 3.7Å; W702-F796 AromaticContact CG-CZ 3.98Å; W702-F796 HydrophobicContact CG-CZ 3.98Å; W702-F796 HydrophobicContact CZ3-CE1 4.47Å | ||
| 703 | D | 81.8 | Confident | 65.2 | Low | 32 Ų | 32 | 94.7 Ų | 94.7 | 17% | 0.171 | 48% | 0.479 | C | S | . | . | B | Isolated β-bridge | trans | -114.6 | 132.2 | 178.2 | -171.9 | -32 | 0 | 0 | 0 | 110 | S648 L649 R705 Q706 | S648-D703 WeakPolarHBondContact CB-OD1 3.49Å; S648-D703 PolarHBondContact OG-OD1 3.34Å; S648-D703 PolarHBondContact OG-OD2 3.33Å; L649-D703 HydrophobicContact CD2-CB 4.36Å; D703-R705 PolarHBondContact O-N 3.37Å; D703-R705 WeakPolarHBondContact OD1-CB 3.49Å; D703-R705 PolarHBondContact OD1-N 3.42Å; D703-Q706 HydrophobicContact CB-CG 4.22Å; D703-Q706 PolarHBondContact O-N 3.01Å; D703-Q706 VanDerWaalsContact O-N 3.11Å |
| 704 | F | 77.7 | Confident | 63.9 | Low | 2 Ų | 2 | 94.5 Ų | 94.5 | 1% | 0.009 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19.2 | 177.2 | -82.3 | -70.4 | 0 | 0 | 0 | 113.8 | S648 V650 R653 L654 T792 M795 T860 R861 | S648-F704 WeakPolarHBondContact O-CD2 3.42Å; S648-F704 PolarHBondContact O-N 3.1Å; V650-F704 HydrophobicContact CB-CD2 4.49Å; V650-F704 HydrophobicContact CB-CE2 4.07Å; V650-F704 HydrophobicContact CB-CZ 4.29Å; V650-F704 HydrophobicContact CG1-CE2 4.16Å; V650-F704 HydrophobicContact CG1-CZ 3.97Å; V650-F704 HydrophobicContact CG2-CD1 4.32Å; V650-F704 HydrophobicContact CG2-CD2 4Å; V650-F704 HydrophobicContact CG2-CE1 4.22Å; V650-F704 HydrophobicContact CG2-CE2 3.93Å; V650-F704 HydrophobicContact CG2-CG 4.2Å; V650-F704 HydrophobicContact CG2-CZ 4.02Å; R653-F704 HydrophobicContact CB-CD2 3.98Å; R653-F704 HydrophobicContact CB-CE2 3.79Å; R653-F704 HydrophobicContact CG-CD2 3.91Å; R653-F704 HydrophobicContact CG-CE2 3.74Å; L654-F704 HydrophobicContact CD2-CZ 4.31Å; L654-F704 HydrophobicContact CG-CE2 4.45Å; L654-F704 HydrophobicContact CG-CZ 4.23Å; F704-T792 WeakPolarHBondContact CE1-OG1 3.46Å; F704-T792 HydrophobicContact CZ-CG2 4.44Å; F704-T792 VanDerWaalsContact CZ-OG1 3.27Å; F704-T792 WeakPolarHBondContact CZ-OG1 3.22Å; F704-M795 HydrophobicContact CB-CE 4.29Å; F704-M795 HydrophobicContact CD1-CE 3.44Å; F704-M795 VanDerWaalsContact CD1-CE 3.44Å; F704-M795 HydrophobicContact CD1-SD 3.97Å; F704-M795 HydrophobicContact CE1-CE 4.21Å; F704-M795 HydrophobicContact CE1-SD 4.45Å; F704-M795 HydrophobicContact CG-CE 4.28Å; F704-T860 HydrophobicContact CD1-CG2 4.4Å; F704-T860 HydrophobicContact CE1-CG2 3.96Å; F704-T860 HydrophobicContact CE2-CG2 4.14Å; F704-T860 HydrophobicContact CZ-CG2 3.82Å; F704-R861 HydrophobicContact CB-CG 4.47Å |
| 705 | R | 72.7 | Confident | 63.3 | Low | 115 Ų | 115 | 93.2 Ų | 93.2 | 43% | 0.434 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -20.6 | 179.6 | -65.7 | -178.6 | 174.7 | -151 | -4.6 | 115.2 | D703 E707 R861 | D703-R705 PolarHBondContact O-N 3.37Å; D703-R705 WeakPolarHBondContact OD1-CB 3.49Å; D703-R705 PolarHBondContact OD1-N 3.42Å; R705-E707 PolarHBondContact O-N 3.25Å; R705-R861 PolarHBondContact NE-O 3.03Å |
| 706 | Q | 65.4 | Low | 63 | Low | 108 Ų | 108 | 93.1 Ų | 93.1 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -78 | 4.3 | -172.4 | -70.2 | -178.5 | 24.5 | 0 | 0 | 114.4 | D703 S708 | D703-Q706 HydrophobicContact CB-CG 4.22Å; D703-Q706 PolarHBondContact O-N 3.01Å; D703-Q706 VanDerWaalsContact O-N 3.11Å; Q706-S708 PolarHBondContact O-N 3.01Å; Q706-S708 VanDerWaalsContact O-N 3.12Å |
| 707 | E | 54 | Low | 63 | Low | 57 Ų | 57 | 91.1 Ų | 91.1 | 27% | 0.266 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -69.8 | -8.9 | -168.9 | -152.1 | -173.1 | -142.5 | 0 | 0 | 115.3 | R705 L709 M795 R861 | R705-E707 PolarHBondContact O-N 3.25Å; E707-L709 PolarHBondContact O-N 3.04Å; E707-M795 HydrophobicContact CB-CE 4.1Å; E707-M795 HydrophobicContact CG-CE 4.01Å; E707-M795 HydrophobicContact CG-CG 4.24Å; E707-M795 WeakPolarHBondContact OE1-CA 3.48Å; E707-M795 WeakPolarHBondContact OE1-CB 3.49Å; E707-R861 IonicContact OE1-NH2 3.61Å; E707-R861 IonicContact OE2-CZ 3.57Å; E707-R861 IonicContact OE2-NH1 3.38Å; E707-R861 PolarHBondContact OE2-NH1 2.84Å; E707-R861 IonicContact OE2-NH2 3.68Å; E707-R861 PolarHBondContact OE2-NH2 3.03Å |
| 708 | S | 47.9 | Very low | 63.2 | Low | 114 Ų | 114 | 93.2 Ų | 93.2 | 80% | 0.797 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -64 | -14 | -175.6 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | Q706 | Q706-S708 PolarHBondContact O-N 3.01Å; Q706-S708 VanDerWaalsContact O-N 3.12Å |
| 709 | L | 45 | Very low | 63.6 | Low | 137 Ų | 137 | 90.8 Ų | 90.8 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -94.7 | -27.9 | -170.8 | -117.3 | 83.7 | 0 | 0 | 0 | 117 | E707 | E707-L709 PolarHBondContact O-N 3.04Š|
| 710 | F | 44 | Very low | 64 | Low | 150 Ų | 150 | 92.6 Ų | 92.6 | 66% | 0.658 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -2.7 | -164.9 | -73.6 | -75.7 | 0 | 0 | 0 | 116.4 | S712 | F710-S712 VanDerWaalsContact C-N 3.31Å; F710-S712 PolarHBondContact O-N 3.22Å |
| 711 | G | 47.8 | Very low | 64.3 | Low | 62 Ų | 62 | 88.7 Ų | 88.7 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | trans | -72.6 | 82.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R713 | G711-R713 PolarHBondContact O-N 2.99Š| ||
| 712 | S | 47.9 | Very low | 64.6 | Low | 67 Ų | 67 | 82 Ų | 82 | 47% | 0.469 | 44% | 0.441 | S | S | . | . | trans | -50.4 | 134.5 | 172.3 | 164.7 | 0 | 0 | 0 | 0 | 110.3 | F710 N714 R800 | F710-S712 VanDerWaalsContact C-N 3.31Å; F710-S712 PolarHBondContact O-N 3.22Å; S712-N714 PolarHBondContact O-N 3.07Å; S712-N714 PolarHBondContact OG-N 3.38Å; S712-R800 PolarHBondContact O-NH2 3.4Å | ||
| 713 | R | 51.1 | Low | 65.3 | Low | 219 Ų | 219 | 81.3 Ų | 81.3 | 83% | 0.826 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.4 | -175.4 | -98.7 | -174.6 | -178.1 | -179.6 | 1.6 | 114 | G711 R800 | G711-R713 PolarHBondContact O-N 2.99Å; R713-R800 VanDerWaalsContact O-CZ 3.25Å; R713-R800 PolarHBondContact O-NH1 3.25Å; R713-R800 PolarHBondContact O-NH2 3.46Å |
| 714 | N | 52.5 | Low | 65.7 | Low | 145 Ų | 145 | 80.8 Ų | 80.8 | 78% | 0.775 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | 61 | -175.2 | -70 | -14.1 | 0 | 0 | 0 | 112.2 | S712 | S712-N714 PolarHBondContact O-N 3.07Å; S712-N714 PolarHBondContact OG-N 3.38Å |
| 715 | V | 59.2 | Low | 66.2 | Low | 30 Ų | 30 | 80.8 Ų | 80.8 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 116.7 | 173.4 | -176 | 0 | 0 | 0 | 0 | 109.1 | ||
| 716 | A | 64.6 | Low | 67.1 | Low | 70 Ų | 70 | 76.6 Ų | 76.6 | 58% | 0.579 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 145.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K718 | A716-K718 PolarHBondContact O-N 2.96Š|
| 717 | V | 71.2 | Confident | 68.4 | Low | 54 Ų | 54 | 72 Ų | 72 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 128.4 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | L434 D721 I803 | L434-V717 HydrophobicContact CB-CG2 4.11Å; L434-V717 HydrophobicContact CD2-CG2 4.19Å; L434-V717 WeakPolarHBondContact O-CG2 3.5Å; V717-D721 HydrophobicContact CG1-CB 4.35Å; V717-I803 HydrophobicContact CG1-CG2 4.12Å; V717-I803 HydrophobicContact CG2-CD1 3.98Å; V717-I803 HydrophobicContact CG2-CG1 4.09Å; V717-I803 HydrophobicContact CG2-CG2 3.95Å |
| 718 | K | 75.8 | Confident | 70.3 | Confident | 104 Ų | 104 | 69.3 Ų | 69.3 | 45% | 0.452 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -96 | 156.8 | 176.6 | -59.4 | 173.6 | -175 | 171.6 | 0 | 110.5 | A716 D720 D721 A722 | A716-K718 PolarHBondContact O-N 2.96Å; K718-D720 PolarHBondContact O-N 3.39Å; K718-D721 WeakPolarHBondContact CB-OD2 3.47Å; K718-D721 PolarHBondContact N-OD2 3.47Å; K718-D721 WeakPolarHBondContact O-CB 3.48Å; K718-D721 PolarHBondContact O-N 3.5Å; K718-A722 PolarHBondContact O-N 3.11Å |
| 719 | V | 77 | Confident | 72.3 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.9 | -35.8 | 172.7 | 179 | 0 | 0 | 0 | 0 | 111.3 | D721 A722 R723 | V719-D721 PolarHBondContact O-N 3.14Å; V719-A722 WeakPolarHBondContact O-CB 2.94Å; V719-A722 PolarHBondContact O-N 3.28Å; V719-R723 PolarHBondContact O-N 3.39Å; V719-R723 VanDerWaalsContact O-N 3.16Å |
| 720 | D | 82.2 | Confident | 74.6 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -31.9 | 174 | -77.1 | -41.1 | 0 | 0 | 0 | 112.8 | K718 R723 R724 | K718-D720 PolarHBondContact O-N 3.39Å; D720-R723 PolarHBondContact O-N 3.32Å; D720-R723 IonicContact OD1-CZ 3.58Å; D720-R723 IonicContact OD1-NE 2.66Å; D720-R723 IonicContact OD1-NH2 3.06Å; D720-R723 PolarHBondContact OD1-NH2 2.95Å; D720-R724 WeakPolarHBondContact O-CB 3.42Å; D720-R724 WeakPolarHBondContact O-CD 3.27Å; D720-R724 WeakPolarHBondContact O-CG 3.26Å; D720-R724 PolarHBondContact O-N 3.21Å |
| 721 | D | 82.5 | Confident | 77 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 179.2 | -56.6 | -29.6 | 0 | 0 | 0 | 111 | V717 K718 V719 R724 A725 S799 I803 F804 | V717-D721 HydrophobicContact CG1-CB 4.35Å; K718-D721 WeakPolarHBondContact CB-OD2 3.47Å; K718-D721 PolarHBondContact N-OD2 3.47Å; K718-D721 WeakPolarHBondContact O-CB 3.48Å; K718-D721 PolarHBondContact O-N 3.5Å; V719-D721 PolarHBondContact O-N 3.14Å; D721-R724 PolarHBondContact O-N 3.2Å; D721-R724 IonicContact OD1-NH1 2.85Å; D721-R724 PolarHBondContact OD1-NH1 2.94Å; D721-R724 VanDerWaalsContact OD1-NH1 3.12Å; D721-A725 WeakPolarHBondContact O-CB 3.09Å; D721-A725 PolarHBondContact O-N 2.89Å; D721-S799 PolarHBondContact OD1-OG 3.03Å; D721-I803 HydrophobicContact CB-CG2 4.19Å; D721-F804 HydrophobicContact CB-CE1 4.22Å |
| 722 | A | 82.3 | Confident | 79.1 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K718 V719 A725 L726 | K718-A722 PolarHBondContact O-N 3.11Å; V719-A722 WeakPolarHBondContact O-CB 2.94Å; V719-A722 PolarHBondContact O-N 3.28Å; A722-A725 PolarHBondContact O-N 3.08Å; A722-L726 WeakPolarHBondContact O-CG 3.22Å; A722-L726 PolarHBondContact O-N 2.83Å |
| 723 | R | 89.4 | Confident | 81.1 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 177.5 | -173.8 | -174.3 | 54.5 | 64.3 | 2.8 | 112.1 | W536 E691 V719 D720 A725 L726 F727 | W536-R723 VanDerWaalsContact CZ2-CZ 3.44Å; E691-R723 IonicContact OE1-CZ 3.82Å; E691-R723 IonicContact OE1-NH1 2.72Å; E691-R723 PolarHBondContact OE1-NH1 3.08Å; E691-R723 IonicContact OE1-NH2 3.85Å; E691-R723 PolarHBondContact OE1-NH2 2.72Å; E691-R723 IonicContact OE2-CZ 3.38Å; E691-R723 IonicContact OE2-NH1 3.64Å; E691-R723 IonicContact OE2-NH2 3.95Å; E691-R723 PolarHBondContact OE2-NH2 3.04Å; V719-R723 PolarHBondContact O-N 3.39Å; V719-R723 VanDerWaalsContact O-N 3.16Å; D720-R723 PolarHBondContact O-N 3.32Å; D720-R723 IonicContact OD1-CZ 3.58Å; D720-R723 IonicContact OD1-NE 2.66Å; D720-R723 IonicContact OD1-NH2 3.06Å; D720-R723 PolarHBondContact OD1-NH2 2.95Å; R723-A725 VanDerWaalsContact C-N 3.32Å; R723-A725 PolarHBondContact O-N 3.41Å; R723-L726 PolarHBondContact O-N 3.37Å; R723-F727 HydrophobicContact CG-CE1 4.36Å; R723-F727 HydrophobicContact CG-CE2 4.17Å; R723-F727 HydrophobicContact CG-CZ 4.03Å; R723-F727 PolarHBondContact O-N 3.45Å |
| 724 | R | 89.7 | Confident | 82.9 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 175.6 | -74.3 | 164.1 | -176.4 | 165.7 | -4.6 | 112.2 | W687 E691 D720 D721 F727 F728 L793 T797 S799 F804 | W687-R724 HydrophobicContact CZ2-CB 4.29Å; W687-R724 WeakPolarHBondContact CZ2-O 3.42Å; E691-R724 HydrophobicContact CG-CG 4.19Å; E691-R724 PolarHBondContact O-NH2 3.44Å; E691-R724 WeakPolarHBondContact OE2-CG 3.42Å; E691-R724 IonicContact OE2-CZ 2.79Å; E691-R724 IonicContact OE2-NE 2.88Å; E691-R724 PolarHBondContact OE2-NE 3.24Å; E691-R724 IonicContact OE2-NH2 3.76Å; D720-R724 WeakPolarHBondContact O-CB 3.42Å; D720-R724 WeakPolarHBondContact O-CD 3.27Å; D720-R724 WeakPolarHBondContact O-CG 3.26Å; D720-R724 PolarHBondContact O-N 3.21Å; D721-R724 PolarHBondContact O-N 3.2Å; D721-R724 IonicContact OD1-NH1 2.85Å; D721-R724 PolarHBondContact OD1-NH1 2.94Å; D721-R724 VanDerWaalsContact OD1-NH1 3.12Å; R724-F727 PolarHBondContact O-N 3.42Å; R724-F728 WeakPolarHBondContact O-CB 3.27Å; R724-F728 PolarHBondContact O-N 3.42Å; R724-L793 HydrophobicContact CB-CD2 4.12Å; R724-L793 HydrophobicContact CG-CD2 4.05Å; R724-T797 VanDerWaalsContact NH1-CB 3.32Å; R724-T797 VanDerWaalsContact NH2-CG2 3.32Å; R724-S799 PolarHBondContact NH1-OG 3.42Å; R724-F804 HydrophobicContact CB-CD1 4.36Å; R724-F804 HydrophobicContact CB-CE1 3.57Å; R724-F804 HydrophobicContact CB-CZ 4.29Å |
| 725 | A | 89 | Confident | 84.6 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D721 A722 R723 F727 F728 V729 F804 L807 | D721-A725 WeakPolarHBondContact O-CB 3.09Å; D721-A725 PolarHBondContact O-N 2.89Å; A722-A725 PolarHBondContact O-N 3.08Å; R723-A725 VanDerWaalsContact C-N 3.32Å; R723-A725 PolarHBondContact O-N 3.41Å; A725-F727 VanDerWaalsContact C-N 3.35Å; A725-F727 PolarHBondContact O-N 2.82Å; A725-F728 WeakPolarHBondContact O-CB 3.32Å; A725-F728 PolarHBondContact O-N 2.88Å; A725-V729 VanDerWaalsContact O-CG2 3.31Å; A725-V729 WeakPolarHBondContact O-CG2 3.32Å; A725-V729 PolarHBondContact O-N 3.39Å; A725-F804 HydrophobicContact CB-CD1 4.08Å; A725-L807 HydrophobicContact CB-CB 3.45Å; A725-L807 VanDerWaalsContact CB-CB 3.45Å; A725-L807 HydrophobicContact CB-CD1 3.5Å; A725-L807 HydrophobicContact CB-CG 4.09Å |
| 726 | L | 90.3 | Very high | 85.8 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.1 | -71.8 | 169.5 | 0 | 0 | 0 | 111.8 | A509 F512 I513 A722 R723 F728 V729 F730 T811 | A509-L726 HydrophobicContact CB-CD1 3.64Å; F512-L726 HydrophobicContact CD1-CB 4.24Å; F512-L726 HydrophobicContact CD1-CD2 4.27Å; F512-L726 HydrophobicContact CE1-CB 4.2Å; F512-L726 WeakPolarHBondContact CE1-O 3.13Å; I513-L726 HydrophobicContact CD1-CD2 4.1Å; I513-L726 HydrophobicContact CG1-CD2 3.84Å; A722-L726 WeakPolarHBondContact O-CG 3.22Å; A722-L726 PolarHBondContact O-N 2.83Å; R723-L726 PolarHBondContact O-N 3.37Å; L726-F728 VanDerWaalsContact C-N 3.33Å; L726-F728 PolarHBondContact O-N 3.4Å; L726-V729 PolarHBondContact O-N 3Å; L726-F730 WeakPolarHBondContact O-CB 3.49Å; L726-F730 PolarHBondContact O-N 3.48Å; L726-T811 HydrophobicContact CD2-CG2 4.07Å |
| 727 | F | 93.5 | Very high | 86.5 | Confident | 12 Ų | 12 | 23.9 Ų | 23.9 | 5% | 0.053 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 176.4 | -68.6 | -3.3 | 0 | 0 | 0 | 111.9 | F512 M533 W536 W687 R723 R724 A725 F730 F731 | F512-F727 HydrophobicContact CE2-CD1 4.34Å; F512-F727 HydrophobicContact CE2-CE1 4.29Å; F512-F727 HydrophobicContact CZ-CD1 4.09Å; F512-F727 HydrophobicContact CZ-CE1 4.5Å; M533-F727 HydrophobicContact CE-CB 4.39Å; M533-F727 HydrophobicContact CE-CD2 4.18Å; M533-F727 HydrophobicContact CE-CG 4.13Å; M533-F727 HydrophobicContact CG-CD1 3.8Å; M533-F727 HydrophobicContact CG-CE1 3.52Å; M533-F727 HydrophobicContact CG-CE2 4.28Å; M533-F727 HydrophobicContact CG-CG 4.31Å; M533-F727 HydrophobicContact CG-CZ 3.79Å; M533-F727 HydrophobicContact SD-CD1 4.1Å; M533-F727 HydrophobicContact SD-CE1 4.42Å; M533-F727 HydrophobicContact SD-CG 4.29Å; W536-F727 HydrophobicContact CB-CZ 4.32Å; W536-F727 AromaticContact CD2-CE2 3.66Å; W536-F727 HydrophobicContact CD2-CE2 3.66Å; W536-F727 AromaticContact CD2-CZ 3.95Å; W536-F727 HydrophobicContact CD2-CZ 3.95Å; W536-F727 AromaticContact CE3-CE2 3.51Å; W536-F727 HydrophobicContact CE3-CE2 3.51Å; W536-F727 HydrophobicContact CE3-CZ 4.04Å; W536-F727 HydrophobicContact CG-CE2 4.27Å; W536-F727 HydrophobicContact CG-CZ 4.07Å; W536-F727 HydrophobicContact CH2-CE2 4.11Å; W536-F727 HydrophobicContact CZ2-CE2 4.27Å; W536-F727 HydrophobicContact CZ3-CD2 4.45Å; W536-F727 AromaticContact CZ3-CE2 3.74Å; W536-F727 HydrophobicContact CZ3-CE2 3.74Å; W687-F727 AromaticContact CD1-CD2 3.97Å; W687-F727 HydrophobicContact CZ2-CB 3.84Å; W687-F727 AromaticContact NE1-CD2 3.47Å; R723-F727 HydrophobicContact CG-CE1 4.36Å; R723-F727 HydrophobicContact CG-CE2 4.17Å; R723-F727 HydrophobicContact CG-CZ 4.03Å; R723-F727 PolarHBondContact O-N 3.45Å; R724-F727 PolarHBondContact O-N 3.42Å; A725-F727 VanDerWaalsContact C-N 3.35Å; A725-F727 PolarHBondContact O-N 2.82Å; F727-F730 WeakPolarHBondContact O-CB 3.4Å; F727-F730 PolarHBondContact O-N 3.28Å; F727-F731 WeakPolarHBondContact O-CD2 3.18Å; F727-F731 PolarHBondContact O-N 2.93Å |
| 728 | F | 93 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 172 | 171.2 | -107.5 | 0 | 0 | 0 | 112.2 | W687 R724 A725 L726 F730 F731 L732 A786 L790 V808 V849 | W687-F728 HydrophobicContact CH2-CB 4.1Å; R724-F728 WeakPolarHBondContact O-CB 3.27Å; R724-F728 PolarHBondContact O-N 3.42Å; A725-F728 WeakPolarHBondContact O-CB 3.32Å; A725-F728 PolarHBondContact O-N 2.88Å; L726-F728 VanDerWaalsContact C-N 3.33Å; L726-F728 PolarHBondContact O-N 3.4Å; F728-F730 VanDerWaalsContact C-N 3.28Å; F728-F730 PolarHBondContact O-N 2.9Å; F728-F731 PolarHBondContact O-N 2.69Å; F728-F731 VanDerWaalsContact O-N 3.1Å; F728-L732 HydrophobicContact CD1-CD1 4.14Å; F728-L732 HydrophobicContact CE1-CD1 3.52Å; F728-L732 HydrophobicContact CE1-CG 4.14Å; F728-L732 HydrophobicContact CE2-CD1 4.47Å; F728-L732 HydrophobicContact CE2-CD2 4.2Å; F728-L732 HydrophobicContact CE2-CG 4.23Å; F728-L732 HydrophobicContact CZ-CD1 3.72Å; F728-L732 HydrophobicContact CZ-CD2 3.96Å; F728-L732 HydrophobicContact CZ-CG 3.94Å; F728-L732 PolarHBondContact O-N 3.44Å; F728-A786 HydrophobicContact CD2-CB 4.38Å; F728-A786 HydrophobicContact CE2-CB 3.81Å; F728-A786 WeakPolarHBondContact CE2-O 3.5Å; F728-L790 HydrophobicContact CB-CD1 4.22Å; F728-L790 HydrophobicContact CD1-CD2 3.94Å; F728-L790 HydrophobicContact CD2-CB 3.93Å; F728-L790 HydrophobicContact CD2-CD1 4.16Å; F728-L790 HydrophobicContact CD2-CD2 4Å; F728-L790 HydrophobicContact CD2-CG 4.26Å; F728-L790 HydrophobicContact CE1-CD2 3.79Å; F728-L790 HydrophobicContact CE2-CB 3.91Å; F728-L790 HydrophobicContact CE2-CD2 3.86Å; F728-L790 HydrophobicContact CE2-CG 4.39Å; F728-L790 HydrophobicContact CG-CD1 4.07Å; F728-L790 HydrophobicContact CG-CD2 4.03Å; F728-L790 HydrophobicContact CG-CG 4.47Å; F728-L790 HydrophobicContact CZ-CD2 3.75Å; F728-V808 HydrophobicContact CD1-CG2 3.48Å; F728-V808 VanDerWaalsContact CD1-CG2 3.48Å; F728-V808 HydrophobicContact CE1-CG2 3.51Å; F728-V849 HydrophobicContact CE1-CG1 4.03Å; F728-V849 HydrophobicContact CZ-CG1 4.07Å |
| 729 | V | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 175.1 | 177 | 0 | 0 | 0 | 0 | 110.2 | L516 A725 L726 F731 L732 F733 V808 T811 | L516-V729 HydrophobicContact CD1-CG1 3.79Å; A725-V729 VanDerWaalsContact O-CG2 3.31Å; A725-V729 WeakPolarHBondContact O-CG2 3.32Å; A725-V729 PolarHBondContact O-N 3.39Å; L726-V729 PolarHBondContact O-N 3Å; V729-F731 VanDerWaalsContact C-N 3.35Å; V729-F731 PolarHBondContact O-N 2.84Å; V729-L732 WeakPolarHBondContact O-CB 3.17Å; V729-L732 PolarHBondContact O-N 3.25Å; V729-L732 VanDerWaalsContact O-N 3.14Å; V729-F733 HydrophobicContact CG1-CD2 3.91Å; V729-F733 HydrophobicContact CG1-CE2 3.82Å; V729-F733 VanDerWaalsContact O-CD2 3.23Å; V729-F733 WeakPolarHBondContact O-CD2 3.43Å; V729-F733 PolarHBondContact O-N 2.9Å; V729-V808 HydrophobicContact CG2-CB 4.23Å; V729-V808 HydrophobicContact CG2-CG1 4.31Å; V729-V808 HydrophobicContact CG2-CG2 3.66Å; V729-T811 WeakPolarHBondContact CG2-OG1 3.29Å |
| 730 | F | 93.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.2 | -45.2 | 172.4 | 161.5 | -92.5 | 0 | 0 | 0 | 112.7 | F512 L516 L526 C529 I530 M533 L726 F727 F728 L732 F733 L734 | F512-F730 HydrophobicContact CE1-CB 3.65Å; F512-F730 HydrophobicContact CZ-CB 3.48Å; F512-F730 VanDerWaalsContact CZ-CB 3.48Å; F512-F730 HydrophobicContact CZ-CD2 4.22Å; F512-F730 AromaticContact CZ-CG 4Å; F512-F730 HydrophobicContact CZ-CG 4Å; L516-F730 HydrophobicContact CD2-CB 4.5Å; L516-F730 HydrophobicContact CD2-CD2 4.48Å; L526-F730 HydrophobicContact CD2-CD2 4.06Å; L526-F730 HydrophobicContact CD2-CE2 3.97Å; C529-F730 HydrophobicContact CB-CD2 3.57Å; C529-F730 HydrophobicContact CB-CE2 3.82Å; I530-F730 HydrophobicContact CD1-CE2 4.46Å; I530-F730 HydrophobicContact CD1-CZ 4.2Å; I530-F730 HydrophobicContact CG1-CE2 3.69Å; I530-F730 HydrophobicContact CG1-CZ 3.41Å; I530-F730 VanDerWaalsContact CG1-CZ 3.41Å; M533-F730 HydrophobicContact CE-CD1 4.18Å; M533-F730 HydrophobicContact CE-CE1 4.21Å; M533-F730 HydrophobicContact SD-CD1 3.34Å; M533-F730 WeakPolarHBondContact SD-CD1 3.26Å; M533-F730 HydrophobicContact SD-CE1 3.48Å; M533-F730 WeakPolarHBondContact SD-CE1 3.48Å; M533-F730 HydrophobicContact SD-CG 3.95Å; M533-F730 HydrophobicContact SD-CZ 4.17Å; L726-F730 WeakPolarHBondContact O-CB 3.49Å; L726-F730 PolarHBondContact O-N 3.48Å; F727-F730 WeakPolarHBondContact O-CB 3.4Å; F727-F730 PolarHBondContact O-N 3.28Å; F728-F730 VanDerWaalsContact C-N 3.28Å; F728-F730 PolarHBondContact O-N 2.9Å; F730-L732 VanDerWaalsContact C-N 3.31Å; F730-L732 PolarHBondContact O-N 3.44Å; F730-F733 CarbonylContact O-C 3.57Å; F730-F733 PolarHBondContact O-N 2.81Å; F730-F733 VanDerWaalsContact O-N 3.17Å; F730-L734 HydrophobicContact CE1-CB 4.35Å; F730-L734 HydrophobicContact CE1-CD2 3.88Å; F730-L734 HydrophobicContact CE2-CB 4.44Å; F730-L734 HydrophobicContact CZ-CB 4.14Å; F730-L734 HydrophobicContact CZ-CD2 3.76Å; F730-L734 HydrophobicContact CZ-CG 4.37Å; F730-L734 WeakPolarHBondContact O-CB 3.38Å; F730-L734 PolarHBondContact O-N 3.47Å |
| 731 | F | 93.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.6 | -34.9 | 176.4 | -77.2 | -63.6 | 0 | 0 | 0 | 112.1 | M533 Y680 H683 M684 W687 F727 F728 V729 F733 L734 G735 | M533-F731 HydrophobicContact CE-CE2 3.9Å; M533-F731 HydrophobicContact CE-CZ 3.85Å; Y680-F731 HydrophobicContact CD2-CD1 4.19Å; Y680-F731 HydrophobicContact CE2-CB 4.11Å; Y680-F731 AromaticContact CE2-CD1 3.82Å; Y680-F731 HydrophobicContact CE2-CD1 3.82Å; Y680-F731 HydrophobicContact CE2-CG 4.44Å; Y680-F731 VanDerWaalsContact CE2-O 3.26Å; Y680-F731 WeakPolarHBondContact CE2-O 3.49Å; Y680-F731 PolarHBondContact OH-O 3.22Å; H683-F731 HydrophobicContact CB-CE1 4.35Å; H683-F731 AromaticContact ND1-CE1 4Å; M684-F731 HydrophobicContact CB-CD1 4.19Å; M684-F731 HydrophobicContact CB-CE1 4.07Å; M684-F731 HydrophobicContact CB-CE2 4.49Å; M684-F731 HydrophobicContact CB-CG 4.47Å; M684-F731 HydrophobicContact CB-CZ 4.23Å; M684-F731 HydrophobicContact CG-CD1 4.47Å; M684-F731 HydrophobicContact CG-CD2 4.19Å; M684-F731 HydrophobicContact CG-CE2 4.37Å; M684-F731 HydrophobicContact CG-CG 4.26Å; M684-F731 HydrophobicContact SD-CB 4.21Å; M684-F731 HydrophobicContact SD-CG 4.24Å; W687-F731 HydrophobicContact CB-CE2 4.01Å; W687-F731 HydrophobicContact CB-CZ 4.15Å; W687-F731 HydrophobicContact CD2-CD2 4.32Å; W687-F731 AromaticContact CD2-CE2 3.68Å; W687-F731 HydrophobicContact CD2-CE2 3.68Å; W687-F731 AromaticContact CE3-CD2 3.88Å; W687-F731 HydrophobicContact CE3-CD2 3.88Å; W687-F731 AromaticContact CE3-CE2 3.6Å; W687-F731 HydrophobicContact CE3-CE2 3.6Å; W687-F731 AromaticContact CG-CE2 3.85Å; W687-F731 HydrophobicContact CG-CE2 3.85Å; W687-F731 HydrophobicContact CG-CZ 4.45Å; W687-F731 HydrophobicContact CZ3-CD2 4.16Å; W687-F731 HydrophobicContact CZ3-CE2 4.32Å; F727-F731 WeakPolarHBondContact O-CD2 3.18Å; F727-F731 PolarHBondContact O-N 2.93Å; F728-F731 PolarHBondContact O-N 2.69Å; F728-F731 VanDerWaalsContact O-N 3.1Å; V729-F731 VanDerWaalsContact C-N 3.35Å; V729-F731 PolarHBondContact O-N 2.84Å; F731-F733 VanDerWaalsContact C-N 3.33Å; F731-F733 PolarHBondContact O-N 2.93Å; F731-L734 HydrophobicContact CD1-CD2 4.33Å; F731-L734 PolarHBondContact O-N 3.38Å; F731-G735 PolarHBondContact O-N 3.03Å |
| 732 | L | 91 | Very high | 81.4 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 172 | -66.8 | 174.2 | 0 | 0 | 0 | 111.9 | F728 V729 F730 G735 F736 W783 A786 V808 V849 | F728-L732 HydrophobicContact CD1-CD1 4.14Å; F728-L732 HydrophobicContact CE1-CD1 3.52Å; F728-L732 HydrophobicContact CE1-CG 4.14Å; F728-L732 HydrophobicContact CE2-CD1 4.47Å; F728-L732 HydrophobicContact CE2-CD2 4.2Å; F728-L732 HydrophobicContact CE2-CG 4.23Å; F728-L732 HydrophobicContact CZ-CD1 3.72Å; F728-L732 HydrophobicContact CZ-CD2 3.96Å; F728-L732 HydrophobicContact CZ-CG 3.94Å; F728-L732 PolarHBondContact O-N 3.44Å; V729-L732 WeakPolarHBondContact O-CB 3.17Å; V729-L732 PolarHBondContact O-N 3.25Å; V729-L732 VanDerWaalsContact O-N 3.14Å; F730-L732 VanDerWaalsContact C-N 3.31Å; F730-L732 PolarHBondContact O-N 3.44Å; L732-G735 PolarHBondContact O-N 2.83Å; L732-F736 WeakPolarHBondContact O-CB 3.41Å; L732-F736 PolarHBondContact O-N 3.18Å; L732-W783 HydrophobicContact CD2-CB 4.1Å; L732-W783 HydrophobicContact CD2-CG 3.9Å; L732-W783 PolarHBondContact O-NE1 3.34Å; L732-A786 HydrophobicContact CD2-CB 3.91Å; L732-V808 HydrophobicContact CD1-CG1 4.5Å; L732-V849 HydrophobicContact CD1-CB 4.49Å; L732-V849 HydrophobicContact CD1-CG1 4.18Å; L732-V849 HydrophobicContact CD1-CG2 3.46Å; L732-V849 VanDerWaalsContact CD1-CG2 3.46Å; L732-V849 HydrophobicContact CD2-CG2 4.17Å; L732-V849 HydrophobicContact CG-CG2 4.44Å |
| 733 | F | 89.5 | Confident | 79.2 | Confident | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.8 | -45.9 | 177.6 | -86.3 | -116.4 | 0 | 0 | 0 | 111.9 | L516 F520 L526 V729 F730 F731 G735 F736 F737 Q815 M845 | L516-F733 HydrophobicContact CB-CD1 4.15Å; L516-F733 HydrophobicContact CB-CE1 4.09Å; L516-F733 HydrophobicContact CD2-CB 3.92Å; L516-F733 HydrophobicContact CD2-CD1 3.93Å; L516-F733 HydrophobicContact CD2-CD2 4.46Å; L516-F733 HydrophobicContact CD2-CG 3.85Å; L516-F733 WeakPolarHBondContact O-CE1 3.48Å; F520-F733 HydrophobicContact CD2-CE1 4.04Å; F520-F733 AromaticContact CE2-CE1 3.37Å; F520-F733 HydrophobicContact CE2-CE1 3.37Å; F520-F733 AromaticContact CE2-CZ 3.74Å; F520-F733 HydrophobicContact CE2-CZ 3.74Å; F520-F733 HydrophobicContact CZ-CE1 4.09Å; F520-F733 HydrophobicContact CZ-CZ 4.21Å; L526-F733 HydrophobicContact CD2-CB 4.31Å; V729-F733 HydrophobicContact CG1-CD2 3.91Å; V729-F733 HydrophobicContact CG1-CE2 3.82Å; V729-F733 VanDerWaalsContact O-CD2 3.23Å; V729-F733 WeakPolarHBondContact O-CD2 3.43Å; V729-F733 PolarHBondContact O-N 2.9Å; F730-F733 CarbonylContact O-C 3.57Å; F730-F733 PolarHBondContact O-N 2.81Å; F730-F733 VanDerWaalsContact O-N 3.17Å; F731-F733 VanDerWaalsContact C-N 3.33Å; F731-F733 PolarHBondContact O-N 2.93Å; F733-G735 VanDerWaalsContact C-N 3.28Å; F733-G735 PolarHBondContact O-N 3.48Å; F733-F736 PolarHBondContact O-N 3.5Å; F733-F736 VanDerWaalsContact O-N 3.16Å; F733-F737 HydrophobicContact CB-CD2 4.24Å; F733-F737 AromaticContact CD1-CD2 3.92Å; F733-F737 HydrophobicContact CD1-CD2 3.92Å; F733-F737 AromaticContact CD1-CE2 3.5Å; F733-F737 HydrophobicContact CD1-CE2 3.5Å; F733-F737 VanDerWaalsContact CD1-CE2 3.5Å; F733-F737 AromaticContact CE1-CE2 3.87Å; F733-F737 HydrophobicContact CE1-CE2 3.87Å; F733-F737 HydrophobicContact CG-CD2 4.4Å; F733-F737 HydrophobicContact CG-CE2 4.27Å; F733-F737 WeakPolarHBondContact O-CB 3.38Å; F733-F737 VanDerWaalsContact O-CD2 3.32Å; F733-F737 WeakPolarHBondContact O-CD2 3.44Å; F733-F737 PolarHBondContact O-N 2.97Å; F733-Q815 VanDerWaalsContact CZ-OE1 3.32Å; F733-M845 HydrophobicContact CD2-SD 4.11Å; F733-M845 HydrophobicContact CE2-CE 3.58Å; F733-M845 HydrophobicContact CE2-SD 3.38Å; F733-M845 WeakPolarHBondContact CE2-SD 3.44Å; F733-M845 HydrophobicContact CZ-CE 3.97Å; F733-M845 HydrophobicContact CZ-SD 3.96Å |
| 734 | L | 90.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 175.6 | -177.4 | 64.5 | 0 | 0 | 0 | 110.2 | L526 D558 F676 Y680 F730 F731 G738 | L526-L734 HydrophobicContact CD1-CD1 4.24Å; D558-L734 HydrophobicContact CB-CD2 4.34Å; F676-L734 HydrophobicContact CE2-CD1 4.16Å; F676-L734 HydrophobicContact CE2-CG 4.19Å; F676-L734 HydrophobicContact CZ-CD1 4.45Å; F676-L734 HydrophobicContact CZ-CG 4.17Å; F676-L734 VanDerWaalsContact CZ-O 3.32Å; F676-L734 WeakPolarHBondContact CZ-O 3.39Å; Y680-L734 HydrophobicContact CD2-CD2 3.97Å; Y680-L734 HydrophobicContact CD2-CG 4.14Å; Y680-L734 HydrophobicContact CE2-CB 4.46Å; F730-L734 HydrophobicContact CE1-CB 4.35Å; F730-L734 HydrophobicContact CE1-CD2 3.88Å; F730-L734 HydrophobicContact CE2-CB 4.44Å; F730-L734 HydrophobicContact CZ-CB 4.14Å; F730-L734 HydrophobicContact CZ-CD2 3.76Å; F730-L734 HydrophobicContact CZ-CG 4.37Å; F730-L734 WeakPolarHBondContact O-CB 3.38Å; F730-L734 PolarHBondContact O-N 3.47Å; F731-L734 HydrophobicContact CD1-CD2 4.33Å; F731-L734 PolarHBondContact O-N 3.38Å; L734-G738 WeakPolarHBondContact O-CA 3.35Å; L734-G738 PolarHBondContact O-N 3.39Å |
| 735 | G | 88.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F731 L732 F733 Q739 | F731-G735 PolarHBondContact O-N 3.03Å; L732-G735 PolarHBondContact O-N 2.83Å; F733-G735 VanDerWaalsContact C-N 3.28Å; F733-G735 PolarHBondContact O-N 3.48Å; G735-Q739 VanDerWaalsContact O-CG 3.25Å; G735-Q739 WeakPolarHBondContact O-CG 3.45Å; G735-Q739 PolarHBondContact O-NE2 3.22Å; G735-Q739 VanDerWaalsContact O-NE2 3.09Å |
| 736 | F | 84.4 | Confident | 72 | Confident | 28 Ų | 28 | 22.1 Ų | 22.1 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.5 | -53.9 | -179.1 | -175 | -102.2 | 0 | 0 | 0 | 113.4 | L732 F733 Q739 F740 L748 V779 W783 I841 | L732-F736 WeakPolarHBondContact O-CB 3.41Å; L732-F736 PolarHBondContact O-N 3.18Å; F733-F736 PolarHBondContact O-N 3.5Å; F733-F736 VanDerWaalsContact O-N 3.16Å; F736-Q739 WeakPolarHBondContact O-CG 3.46Å; F736-F740 WeakPolarHBondContact O-CD2 3.45Å; F736-L748 HydrophobicContact CE1-CD1 3.73Å; F736-L748 HydrophobicContact CZ-CD1 3.93Å; F736-V779 HydrophobicContact CD2-CG1 3.8Å; F736-V779 HydrophobicContact CE2-CG1 3.92Å; F736-W783 HydrophobicContact CB-CZ2 3.93Å; F736-W783 AromaticContact CD2-CH2 3.93Å; F736-W783 HydrophobicContact CD2-CH2 3.93Å; F736-W783 AromaticContact CD2-CZ2 3.42Å; F736-W783 HydrophobicContact CD2-CZ2 3.42Å; F736-W783 VanDerWaalsContact CD2-CZ2 3.42Å; F736-W783 HydrophobicContact CE2-CH2 4.32Å; F736-W783 HydrophobicContact CE2-CZ2 4.22Å; F736-W783 AromaticContact CG-CZ2 3.92Å; F736-W783 HydrophobicContact CG-CZ2 3.92Å; F736-I841 HydrophobicContact CE1-CD1 4.27Å; F736-I841 HydrophobicContact CZ-CD1 3.93Å |
| 737 | F | 78.7 | Confident | 69.9 | Low | 11 Ų | 11 | 21.2 Ų | 21.2 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -85 | -19.8 | -177.6 | -67 | -73.1 | 0 | 0 | 0 | 113.4 | T519 F520 R523 L526 F733 F740 | T519-F737 HydrophobicContact CG2-CB 4.21Å; T519-F737 HydrophobicContact CG2-CD1 4.31Å; T519-F737 HydrophobicContact CG2-CD2 3.48Å; T519-F737 VanDerWaalsContact CG2-CD2 3.48Å; T519-F737 HydrophobicContact CG2-CE2 3.85Å; T519-F737 HydrophobicContact CG2-CG 3.75Å; T519-F737 HydrophobicContact CG2-CZ 4.4Å; F520-F737 HydrophobicContact CD1-CE1 4.48Å; F520-F737 AromaticContact CD1-CZ 3.78Å; F520-F737 HydrophobicContact CD1-CZ 3.78Å; F520-F737 HydrophobicContact CD2-CE2 4.49Å; F520-F737 HydrophobicContact CD2-CZ 4.09Å; F520-F737 AromaticContact CE1-CZ 3.94Å; F520-F737 HydrophobicContact CE1-CZ 3.94Å; F520-F737 HydrophobicContact CE2-CE2 4.48Å; F520-F737 HydrophobicContact CE2-CZ 4.29Å; F520-F737 AromaticContact CG-CZ 3.86Å; F520-F737 HydrophobicContact CG-CZ 3.86Å; F520-F737 HydrophobicContact CZ-CZ 4.21Å; R523-F737 PolarHBondContact NE-O 3.09Å; R523-F737 PolarHBondContact NH1-O 3.37Å; R523-F737 VanDerWaalsContact NH1-O 3.14Å; L526-F737 HydrophobicContact CD1-CB 4.2Å; F733-F737 HydrophobicContact CB-CD2 4.24Å; F733-F737 AromaticContact CD1-CD2 3.92Å; F733-F737 HydrophobicContact CD1-CD2 3.92Å; F733-F737 AromaticContact CD1-CE2 3.5Å; F733-F737 HydrophobicContact CD1-CE2 3.5Å; F733-F737 VanDerWaalsContact CD1-CE2 3.5Å; F733-F737 AromaticContact CE1-CE2 3.87Å; F733-F737 HydrophobicContact CE1-CE2 3.87Å; F733-F737 HydrophobicContact CG-CD2 4.4Å; F733-F737 HydrophobicContact CG-CE2 4.27Å; F733-F737 WeakPolarHBondContact O-CB 3.38Å; F733-F737 VanDerWaalsContact O-CD2 3.32Å; F733-F737 WeakPolarHBondContact O-CD2 3.44Å; F733-F737 PolarHBondContact O-N 2.97Å; F737-F740 VanDerWaalsContact O-O 3.06Å |
| 738 | G | 68.9 | Low | 67.7 | Low | 4 Ų | 4 | 21.9 Ų | 21.9 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.5 | -40.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R523 L734 | R523-G738 VanDerWaalsContact NH2-CA 3.28Å; R523-G738 PolarHBondContact NH2-O 3.5Å; L734-G738 WeakPolarHBondContact O-CA 3.35Å; L734-G738 PolarHBondContact O-N 3.39Å |
| 739 | Q | 68.1 | Low | 65.3 | Low | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -80.8 | -41.7 | -179 | 71.6 | -169.4 | -25.4 | 0 | 0 | 112.9 | F665 F676 G735 F736 K778 | F665-Q739 HydrophobicContact CZ-CB 4.21Å; F676-Q739 HydrophobicContact CD1-CB 4.47Å; F676-Q739 HydrophobicContact CE1-CB 4.29Å; G735-Q739 VanDerWaalsContact O-CG 3.25Å; G735-Q739 WeakPolarHBondContact O-CG 3.45Å; G735-Q739 PolarHBondContact O-NE2 3.22Å; G735-Q739 VanDerWaalsContact O-NE2 3.09Å; F736-Q739 WeakPolarHBondContact O-CG 3.46Å; Q739-K778 PolarHBondContact OE1-O 3.46Å |
| 740 | F | 58.4 | Low | 62.9 | Low | 27 Ų | 27 | 26 Ų | 26 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | trans | -100.2 | 112.6 | -177.8 | -66.7 | -66.5 | 0 | 0 | 0 | 109 | F736 F737 S753 L775 K778 V779 | F736-F740 WeakPolarHBondContact O-CD2 3.45Å; F737-F740 VanDerWaalsContact O-O 3.06Å; F740-S753 WeakPolarHBondContact CD1-OG 3.44Å; F740-S753 WeakPolarHBondContact CE1-OG 3.23Å; F740-L775 HydrophobicContact CE1-CD1 3.66Å; F740-L775 HydrophobicContact CZ-CD1 3.52Å; F740-K778 HydrophobicContact CZ-CD 4.49Å; F740-V779 HydrophobicContact CD2-CG2 4.46Å; F740-V779 HydrophobicContact CE2-CB 4.22Å; F740-V779 HydrophobicContact CE2-CG2 3.32Å; F740-V779 HydrophobicContact CZ-CG2 3.58Å | ||
| 741 | R | 46.5 | Very low | 60.5 | Low | 80 Ų | 80 | 27.5 Ų | 27.5 | 30% | 0.302 | 18% | 0.177 | S | C | . | . | trans | -84.3 | 115.8 | 159.8 | -168.5 | -179.4 | 165.5 | -148.7 | 15.4 | 107.6 | P565 V566 | P565-R741 WeakPolarHBondContact O-CD 3.47Å; V566-R741 VanDerWaalsContact CA-CD 3.42Å; V566-R741 HydrophobicContact CB-CB 3.95Å; V566-R741 HydrophobicContact CB-CG 4.11Å; V566-R741 HydrophobicContact CG1-CB 4.1Å; V566-R741 WeakPolarHBondContact CG1-O 3.35Å; V566-R741 HydrophobicContact CG2-CB 3.7Å; V566-R741 HydrophobicContact CG2-CG 3.39Å | ||
| 742 | T | 39.2 | Very low | 57.8 | Low | 33 Ų | 33 | 29.5 Ų | 29.5 | 20% | 0.202 | 19% | 0.188 | C | C | . | . | trans | -77.5 | 131.7 | 144.9 | 53.3 | 0 | 0 | 0 | 0 | 106 | S747 L748 | T742-S747 WeakPolarHBondContact CB-O 3.39Å; T742-S747 WeakPolarHBondContact CG2-O 3.46Å; T742-L748 HydrophobicContact CG2-CB 4.38Å | ||
| 743 | S | 36.4 | Very low | 55.6 | Low | 24 Ų | 24 | 30.2 Ų | 30.2 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | trans | -44.8 | 157.1 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | T745 S746 | S743-T745 VanDerWaalsContact CB-OG1 3.28Å; S743-T745 WeakPolarHBondContact CB-OG1 3.46Å; S743-T745 CarbonylContact O-C 3.6Å; S743-T745 PolarHBondContact O-N 3.42Å; S743-S746 PolarHBondContact O-N 3.26Å | ||
| 744 | G | 36.1 | Very low | 53.8 | Low | 69 Ų | 69 | 34.9 Ų | 34.9 | 71% | 0.711 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -54.1 | -13.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | S746 | G744-S746 PolarHBondContact O-N 2.89Š|
| 745 | T | 39.7 | Very low | 52.4 | Low | 100 Ų | 100 | 38 Ų | 38 | 61% | 0.613 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -82.4 | 80.4 | 155.5 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | S743 S747 | S743-T745 VanDerWaalsContact CB-OG1 3.28Å; S743-T745 WeakPolarHBondContact CB-OG1 3.46Å; S743-T745 CarbonylContact O-C 3.6Å; S743-T745 PolarHBondContact O-N 3.42Å; T745-S747 PolarHBondContact O-N 2.94Å |
| 746 | S | 40.6 | Very low | 51.5 | Low | 44 Ų | 44 | 40.9 Ų | 40.9 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | trans | 28.7 | 2.9 | 146.8 | 62.3 | 0 | 0 | 0 | 0 | 123.8 | S743 G744 L748 E834 | S743-S746 PolarHBondContact O-N 3.26Å; G744-S746 PolarHBondContact O-N 2.89Å; S746-L748 PolarHBondContact O-N 3.39Å; S746-E834 VanDerWaalsContact O-CD 3.31Å; S746-E834 PolarHBondContact OG-OE2 3.2Å | ||
| 747 | S | 47 | Very low | 51.4 | Low | 7 Ų | 7 | 43.4 Ų | 43.4 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | trans | -101.6 | 98 | -163.1 | -176 | 0 | 0 | 0 | 0 | 112.1 | T742 T745 A749 S750 L830 E834 | T742-S747 WeakPolarHBondContact CB-O 3.39Å; T742-S747 WeakPolarHBondContact CG2-O 3.46Å; T745-S747 PolarHBondContact O-N 2.94Å; S747-A749 PolarHBondContact O-N 2.96Å; S747-A749 WeakPolarHBondContact OG-CA 3.49Å; S747-A749 WeakPolarHBondContact OG-CB 3.21Å; S747-A749 PolarHBondContact OG-N 2.98Å; S747-S750 WeakPolarHBondContact CB-OG 3.42Å; S747-S750 CarbonylContact O-C 3.46Å; S747-S750 VanDerWaalsContact O-C 3.3Å; S747-S750 VanDerWaalsContact O-CA 3.26Å; S747-S750 WeakPolarHBondContact O-CA 3.43Å; S747-S750 WeakPolarHBondContact O-CB 3.26Å; S747-S750 PolarHBondContact O-N 3.31Å; S747-S750 PolarHBondContact O-OG 3.03Å; S747-S750 PolarHBondContact OG-N 3.26Å; S747-L830 WeakPolarHBondContact OG-CD1 3.36Å; S747-E834 WeakPolarHBondContact CA-OE1 3.31Å; S747-E834 WeakPolarHBondContact CB-OE1 3.39Å; S747-E834 PolarHBondContact N-OE1 3.36Å; S747-E834 PolarHBondContact OG-OE1 2.83Å | ||
| 748 | L | 46.4 | Very low | 51.8 | Low | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -65.9 | -15.7 | 159.8 | -155.9 | 131.4 | 0 | 0 | 0 | 112 | F736 T742 S746 S750 V751 C837 I841 | F736-L748 HydrophobicContact CE1-CD1 3.73Å; F736-L748 HydrophobicContact CZ-CD1 3.93Å; T742-L748 HydrophobicContact CG2-CB 4.38Å; S746-L748 PolarHBondContact O-N 3.39Å; L748-S750 VanDerWaalsContact C-N 3.25Å; L748-V751 HydrophobicContact CD2-CG2 4.28Å; L748-V751 HydrophobicContact CG-CG2 4.26Å; L748-V751 WeakPolarHBondContact O-CG2 3.38Å; L748-V751 PolarHBondContact O-N 3.38Å; L748-V751 VanDerWaalsContact O-N 3.17Å; L748-C837 HydrophobicContact CB-CB 4.49Å; L748-C837 HydrophobicContact CD2-CB 4.08Å; L748-I841 HydrophobicContact CD1-CD1 3.49Å; L748-I841 VanDerWaalsContact CD1-CD1 3.49Å; L748-I841 HydrophobicContact CD2-CD1 3.32Å; L748-I841 HydrophobicContact CG-CD1 4.01Å |
| 749 | A | 42.8 | Very low | 52.7 | Low | 55 Ų | 55 | 43.3 Ų | 43.3 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -31.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S747 V751 L830 | S747-A749 PolarHBondContact O-N 2.96Å; S747-A749 WeakPolarHBondContact OG-CA 3.49Å; S747-A749 WeakPolarHBondContact OG-CB 3.21Å; S747-A749 PolarHBondContact OG-N 2.98Å; A749-V751 PolarHBondContact O-N 3.48Å; A749-L830 HydrophobicContact CB-CD1 4Å |
| 750 | S | 41.6 | Very low | 53.7 | Low | 31 Ų | 31 | 45.1 Ų | 45.1 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 45.6 | 164.4 | 83.7 | 0 | 0 | 0 | 0 | 111.6 | S747 L748 N752 | S747-S750 WeakPolarHBondContact CB-OG 3.42Å; S747-S750 CarbonylContact O-C 3.46Å; S747-S750 VanDerWaalsContact O-C 3.3Å; S747-S750 VanDerWaalsContact O-CA 3.26Å; S747-S750 WeakPolarHBondContact O-CA 3.43Å; S747-S750 WeakPolarHBondContact O-CB 3.26Å; S747-S750 PolarHBondContact O-N 3.31Å; S747-S750 PolarHBondContact O-OG 3.03Å; S747-S750 PolarHBondContact OG-N 3.26Å; L748-S750 VanDerWaalsContact C-N 3.25Å; S750-N752 PolarHBondContact O-N 3.24Å |
| 751 | V | 42.4 | Very low | 55.4 | Low | 32 Ų | 32 | 44.2 Ų | 44.2 | 19% | 0.194 | 26% | 0.258 | C | S | . | . | trans | -56.1 | 80.9 | 148.1 | 163.8 | 0 | 0 | 0 | 0 | 105.1 | L748 A749 S753 F754 L775 | L748-V751 HydrophobicContact CD2-CG2 4.28Å; L748-V751 HydrophobicContact CG-CG2 4.26Å; L748-V751 WeakPolarHBondContact O-CG2 3.38Å; L748-V751 PolarHBondContact O-N 3.38Å; L748-V751 VanDerWaalsContact O-N 3.17Å; A749-V751 PolarHBondContact O-N 3.48Å; V751-S753 WeakPolarHBondContact CG1-OG 3.41Å; V751-S753 PolarHBondContact O-N 3.28Å; V751-F754 HydrophobicContact CB-CD2 4.13Å; V751-F754 HydrophobicContact CB-CE2 4.09Å; V751-F754 HydrophobicContact CG1-CD2 3.73Å; V751-F754 HydrophobicContact CG1-CE2 3.67Å; V751-F754 HydrophobicContact CG1-CZ 4.46Å; V751-F754 VanDerWaalsContact O-CD2 3.3Å; V751-F754 WeakPolarHBondContact O-CD2 3.39Å; V751-F754 PolarHBondContact O-N 3.31Å; V751-L775 HydrophobicContact CG1-CD2 3.83Å | ||
| 752 | N | 37.8 | Very low | 57.7 | Low | 42 Ų | 42 | 40.8 Ų | 40.8 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -60.4 | -2.1 | 166 | -117.9 | 16.6 | 0 | 0 | 0 | 110.1 | V566 S750 F754 H755 | V566-N752 HydrophobicContact CG1-CB 4.48Å; S750-N752 PolarHBondContact O-N 3.24Å; N752-F754 PolarHBondContact O-N 3.32Å; N752-H755 PolarHBondContact ND2-NE2 2.88Å; N752-H755 VanDerWaalsContact O-CB 3.29Å; N752-H755 WeakPolarHBondContact O-CB 3.32Å; N752-H755 PolarHBondContact O-CD2 3.2Å; N752-H755 PolarHBondContact O-N 2.79Å; N752-H755 PolarHBondContact OD1-CD2 2.89Å; N752-H755 PolarHBondContact OD1-NE2 3.46Å; N752-H755 VanDerWaalsContact OD1-NE2 3.1Å |
| 753 | S | 45.2 | Very low | 60.1 | Low | 15 Ų | 15 | 40.4 Ų | 40.4 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -65.8 | -2.1 | 159.9 | -14.4 | 0 | 0 | 0 | 0 | 114.3 | F740 V751 H755 F758 | F740-S753 WeakPolarHBondContact CD1-OG 3.44Å; F740-S753 WeakPolarHBondContact CE1-OG 3.23Å; V751-S753 WeakPolarHBondContact CG1-OG 3.41Å; V751-S753 PolarHBondContact O-N 3.28Å; S753-H755 VanDerWaalsContact C-N 3.3Å; S753-F758 WeakPolarHBondContact O-CE1 3.23Å |
| 754 | F | 50.1 | Low | 62.3 | Low | 100 Ų | 100 | 41.7 Ų | 41.7 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -85.9 | -1.7 | 161.7 | -69.8 | -71.6 | 0 | 0 | 0 | 112.9 | V751 N752 | V751-F754 HydrophobicContact CB-CD2 4.13Å; V751-F754 HydrophobicContact CB-CE2 4.09Å; V751-F754 HydrophobicContact CG1-CD2 3.73Å; V751-F754 HydrophobicContact CG1-CE2 3.67Å; V751-F754 HydrophobicContact CG1-CZ 4.46Å; V751-F754 VanDerWaalsContact O-CD2 3.3Å; V751-F754 WeakPolarHBondContact O-CD2 3.39Å; V751-F754 PolarHBondContact O-N 3.31Å; N752-F754 PolarHBondContact O-N 3.32Å |
| 755 | H | 61.7 | Low | 64.6 | Low | 67 Ų | 67 | 49.1 Ų | 49.1 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -63.2 | 128.8 | 168 | -79.1 | -59.5 | 0 | 0 | 0 | 109.9 | N752 S753 Y757 F758 | N752-H755 PolarHBondContact ND2-NE2 2.88Å; N752-H755 VanDerWaalsContact O-CB 3.29Å; N752-H755 WeakPolarHBondContact O-CB 3.32Å; N752-H755 PolarHBondContact O-CD2 3.2Å; N752-H755 PolarHBondContact O-N 2.79Å; N752-H755 PolarHBondContact OD1-CD2 2.89Å; N752-H755 PolarHBondContact OD1-NE2 3.46Å; N752-H755 VanDerWaalsContact OD1-NE2 3.1Å; S753-H755 VanDerWaalsContact C-N 3.3Å; H755-Y757 HydrophobicContact CB-CD2 4.09Å; H755-Y757 PolarHBondContact O-N 3.19Å; H755-F758 VanDerWaalsContact O-CD1 3.25Å; H755-F758 WeakPolarHBondContact O-CD1 3.34Å |
| 756 | P | 70.5 | Confident | 66.3 | Low | 60 Ų | 60 | 50.2 Ų | 50.2 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -68.8 | -3.9 | -173.2 | 28.2 | -35.9 | 0 | 0 | 0 | 113.8 | F758 V759 K760 Y766 | P756-F758 VanDerWaalsContact C-N 3.34Å; P756-F758 PolarHBondContact O-N 3.43Å; P756-V759 HydrophobicContact CB-CG2 4.37Å; P756-V759 WeakPolarHBondContact O-CG2 3.4Å; P756-V759 PolarHBondContact O-N 2.91Å; P756-K760 PolarHBondContact O-N 3.33Å; P756-Y766 HydrophobicContact CB-CD2 4.25Å |
| 757 | Y | 82.4 | Confident | 68.2 | Low | 81 Ų | 81 | 52.5 Ų | 52.5 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -60.9 | -37.4 | -177.1 | -67.1 | -52.2 | 0 | 0 | 0 | 113.7 | P571 Y573 V618 H755 V759 K760 | P571-Y757 HydrophobicContact CB-CG 4.48Å; P571-Y757 HydrophobicContact CG-CD1 4.36Å; P571-Y757 HydrophobicContact CG-CD2 4.14Å; P571-Y757 HydrophobicContact CG-CE1 4.43Å; P571-Y757 HydrophobicContact CG-CE2 4.2Å; P571-Y757 HydrophobicContact CG-CG 4.24Å; Y573-Y757 WeakPolarHBondContact OH-CB 3.21Å; Y573-Y757 PolarHBondContact OH-O 3Å; Y573-Y757 VanDerWaalsContact OH-O 3.12Å; V618-Y757 HydrophobicContact CG1-CD1 4.35Å; V618-Y757 HydrophobicContact CG1-CE1 3.78Å; V618-Y757 HydrophobicContact CG2-CD1 4.04Å; V618-Y757 HydrophobicContact CG2-CE1 4.18Å; H755-Y757 HydrophobicContact CB-CD2 4.09Å; H755-Y757 PolarHBondContact O-N 3.19Å; Y757-V759 VanDerWaalsContact C-N 3.25Å; Y757-V759 PolarHBondContact O-N 2.69Å; Y757-K760 WeakPolarHBondContact O-CB 3.47Å; Y757-K760 PolarHBondContact O-N 3.01Å |
| 758 | F | 85.5 | Confident | 69.7 | Low | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -75.1 | -15.4 | -178.7 | 86.3 | -82.4 | 0 | 0 | 0 | 113.3 | M668 V670 S753 H755 P756 T771 L774 L775 | M668-F758 HydrophobicContact CB-CD2 4.27Å; M668-F758 WeakPolarHBondContact O-CB 3.43Å; V670-F758 HydrophobicContact CG1-CB 3.9Å; S753-F758 WeakPolarHBondContact O-CE1 3.23Å; H755-F758 VanDerWaalsContact O-CD1 3.25Å; H755-F758 WeakPolarHBondContact O-CD1 3.34Å; P756-F758 VanDerWaalsContact C-N 3.34Å; P756-F758 PolarHBondContact O-N 3.43Å; F758-T771 HydrophobicContact CE1-CG2 3.7Å; F758-T771 HydrophobicContact CZ-CG2 3.69Å; F758-L774 HydrophobicContact CE2-CB 4.04Å; F758-L775 HydrophobicContact CE2-CB 4.27Å; F758-L775 HydrophobicContact CZ-CB 3.92Å; F758-L775 HydrophobicContact CZ-CD1 4.39Å |
| 759 | V | 89.1 | Confident | 71.6 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -102.5 | -0.4 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | P756 Y757 L761 F762 M763 T771 L774 | P756-V759 HydrophobicContact CB-CG2 4.37Å; P756-V759 WeakPolarHBondContact O-CG2 3.4Å; P756-V759 PolarHBondContact O-N 2.91Å; Y757-V759 VanDerWaalsContact C-N 3.25Å; Y757-V759 PolarHBondContact O-N 2.69Å; V759-L761 PolarHBondContact O-N 3.35Å; V759-L761 VanDerWaalsContact O-N 3.13Å; V759-F762 WeakPolarHBondContact O-CA 3.2Å; V759-F762 PolarHBondContact O-N 3.16Å; V759-M763 HydrophobicContact CB-CE 4.12Å; V759-M763 HydrophobicContact CB-CG 4.44Å; V759-M763 HydrophobicContact CG2-CE 4.36Å; V759-M763 HydrophobicContact CG2-CG 4.16Å; V759-M763 HydrophobicContact CG2-SD 4.21Å; V759-M763 PolarHBondContact O-N 3.49Å; V759-M763 VanDerWaalsContact O-N 3.07Å; V759-T771 HydrophobicContact CG1-CG2 3.96Å; V759-L774 HydrophobicContact CB-CD1 4.16Å; V759-L774 HydrophobicContact CG1-CB 4.28Å; V759-L774 HydrophobicContact CG1-CD1 3.75Å |
| 760 | K | 89.3 | Confident | 73.8 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 18% | 0.183 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.8 | -174.1 | -167.4 | 68 | 177.8 | -176.1 | 0 | 112.7 | V614 I624 H629 P756 Y757 F762 | V614-K760 HydrophobicContact CG1-CB 4.41Å; V614-K760 HydrophobicContact CG1-CG 4.35Å; I624-K760 HydrophobicContact CD1-CG 3.8Å; H629-K760 PolarHBondContact CE1-O 2.87Å; H629-K760 VanDerWaalsContact CE1-O 3.24Å; P756-K760 PolarHBondContact O-N 3.33Å; Y757-K760 WeakPolarHBondContact O-CB 3.47Å; Y757-K760 PolarHBondContact O-N 3.01Å; K760-F762 VanDerWaalsContact C-N 3.27Å; K760-F762 PolarHBondContact O-N 3.32Å |
| 761 | L | 93.2 | Very high | 75.8 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -16.4 | 174.8 | -76.9 | 174.7 | 0 | 0 | 0 | 114.3 | A610 I611 V614 I624 V628 H629 C632 L667 V759 | A610-L761 HydrophobicContact CB-CD2 4.32Å; A610-L761 WeakPolarHBondContact O-CD2 3.35Å; I611-L761 HydrophobicContact CG1-CD1 3.66Å; V614-L761 HydrophobicContact CG2-CD1 4.05Å; V614-L761 HydrophobicContact CG2-CD2 3.46Å; V614-L761 VanDerWaalsContact CG2-CD2 3.46Å; V614-L761 HydrophobicContact CG2-CG 3.56Å; I624-L761 HydrophobicContact CD1-CD2 4.13Å; V628-L761 HydrophobicContact CG1-CD2 4.24Å; H629-L761 WeakPolarHBondContact CA-O 3.43Å; H629-L761 VanDerWaalsContact ND1-C 3.32Å; H629-L761 PolarHBondContact ND1-O 3.23Å; C632-L761 HydrophobicContact CB-CB 4.47Å; L667-L761 HydrophobicContact CD2-CD1 4.08Å; L667-L761 WeakPolarHBondContact O-CD1 3.28Å; V759-L761 PolarHBondContact O-N 3.35Å; V759-L761 VanDerWaalsContact O-N 3.13Å |
| 762 | F | 94.5 | Very high | 77.8 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -25.1 | -176.7 | -63.8 | -83 | 0 | 0 | 0 | 113.5 | C632 W633 L636 L667 M668 V759 K760 L774 | C632-F762 HydrophobicContact CB-CD1 4.25Å; C632-F762 HydrophobicContact CB-CE1 4Å; C632-F762 HydrophobicContact CB-CZ 4.42Å; W633-F762 AromaticContact CD2-CD1 3.83Å; W633-F762 HydrophobicContact CD2-CD1 3.83Å; W633-F762 HydrophobicContact CD2-CE1 4.45Å; W633-F762 AromaticContact CE2-CD1 3.71Å; W633-F762 HydrophobicContact CE3-CD1 4.27Å; W633-F762 HydrophobicContact CG-CD1 4.16Å; W633-F762 HydrophobicContact CH2-CD1 4.49Å; W633-F762 HydrophobicContact CZ2-CB 4.02Å; W633-F762 HydrophobicContact CZ2-CD1 4.07Å; W633-F762 HydrophobicContact CZ2-CG 4.43Å; W633-F762 AromaticContact NE1-CD1 3.94Å; W633-F762 PolarHBondContact NE1-O 3.37Å; L636-F762 HydrophobicContact CB-CE1 4.05Å; L636-F762 HydrophobicContact CB-CZ 4.44Å; L636-F762 HydrophobicContact CD2-CE1 3.77Å; L636-F762 HydrophobicContact CD2-CZ 4.21Å; L636-F762 HydrophobicContact CG-CE1 4.48Å; L667-F762 HydrophobicContact CB-CE2 4.36Å; L667-F762 HydrophobicContact CB-CZ 4.15Å; L667-F762 HydrophobicContact CD1-CZ 4.5Å; M668-F762 HydrophobicContact CG-CE2 3.73Å; M668-F762 HydrophobicContact CG-CZ 4.27Å; V759-F762 WeakPolarHBondContact O-CA 3.2Å; V759-F762 PolarHBondContact O-N 3.16Å; K760-F762 VanDerWaalsContact C-N 3.27Å; K760-F762 PolarHBondContact O-N 3.32Å; F762-L774 HydrophobicContact CB-CD1 3.66Å; F762-L774 HydrophobicContact CD1-CD1 4.38Å; F762-L774 HydrophobicContact CD1-CD2 4.29Å; F762-L774 HydrophobicContact CD2-CD1 3.74Å; F762-L774 HydrophobicContact CD2-CD2 4.4Å; F762-L774 HydrophobicContact CE1-CD2 4.36Å; F762-L774 HydrophobicContact CE2-CD2 4.48Å; F762-L774 HydrophobicContact CG-CD1 3.66Å; F762-L774 HydrophobicContact CG-CD2 4.3Å; F762-L774 HydrophobicContact CZ-CD2 4.45Å |
| 763 | M | 89.1 | Confident | 80.3 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | trans | -154.4 | 145 | 178.6 | 69.8 | -169.7 | 76.7 | 0 | 0 | 112.2 | V759 R765 H767 V770 L774 | V759-M763 HydrophobicContact CB-CE 4.12Å; V759-M763 HydrophobicContact CB-CG 4.44Å; V759-M763 HydrophobicContact CG2-CE 4.36Å; V759-M763 HydrophobicContact CG2-CG 4.16Å; V759-M763 HydrophobicContact CG2-SD 4.21Å; V759-M763 PolarHBondContact O-N 3.49Å; V759-M763 VanDerWaalsContact O-N 3.07Å; M763-R765 WeakPolarHBondContact CG-O 3.41Å; M763-H767 HydrophobicContact SD-CB 4.12Å; M763-H767 PolarHBondContact SD-N 3.48Å; M763-V770 HydrophobicContact CE-CB 3.46Å; M763-V770 VanDerWaalsContact CE-CB 3.46Å; M763-V770 HydrophobicContact CE-CG1 3.21Å; M763-L774 HydrophobicContact CE-CD1 4.23Å | ||
| 764 | N | 84.4 | Confident | 82.5 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -84 | -35.6 | 171.2 | -79.2 | -40.2 | 0 | 0 | 0 | 112.9 | T623 I624 H629 | T623-N764 HydrophobicContact CG2-CB 4.44Å; I624-N764 PolarHBondContact N-OD1 2.92Å; I624-N764 PolarHBondContact O-ND2 3.1Å; H629-N764 VanDerWaalsContact NE2-CG 3.26Å; H629-N764 PolarHBondContact NE2-ND2 3.43Å; H629-N764 PolarHBondContact NE2-OD1 2.74Å |
| 765 | R | 83.1 | Confident | 84.2 | Confident | 226 Ų | 226 | 58.6 Ų | 58.6 | 85% | 0.853 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -103.1 | 132.5 | 179.7 | -64.1 | -175.8 | -176.8 | -179.2 | 0.5 | 109.4 | M763 H767 | M763-R765 WeakPolarHBondContact CG-O 3.41Å; R765-H767 PolarHBondContact O-N 2.97Å |
| 766 | Y | 75.9 | Confident | 85.3 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 48% | 0.478 | 29% | 0.288 | S | S | . | . | trans | -61.4 | 126.5 | 179.1 | 177.3 | -103.7 | 0 | 0 | 0 | 110.9 | P756 P768 T771 | P756-Y766 HydrophobicContact CB-CD2 4.25Å; Y766-P768 HydrophobicContact CE1-CB 4.16Å; Y766-T771 HydrophobicContact CE2-CG2 4.03Å | ||
| 767 | H | 80.6 | Confident | 86.3 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | trans | -128.7 | 119.2 | 170.6 | -169 | -93.4 | 0 | 0 | 0 | 109.4 | M763 R765 F769 V770 T771 | M763-H767 HydrophobicContact SD-CB 4.12Å; M763-H767 PolarHBondContact SD-N 3.48Å; R765-H767 PolarHBondContact O-N 2.97Å; H767-F769 AromaticContact CE1-CD2 3.52Å; H767-F769 PolarHBondContact O-N 3.27Å; H767-V770 HydrophobicContact CB-CB 4.47Å; H767-V770 HydrophobicContact CB-CG2 4.44Å; H767-V770 PolarHBondContact O-N 3.49Å; H767-T771 WeakPolarHBondContact O-CB 3.3Å; H767-T771 PolarHBondContact O-N 2.85Å; H767-T771 PolarHBondContact O-OG1 3Å | ||
| 768 | P | 78.4 | Confident | 86.6 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | -169.1 | 22.3 | -32.6 | 0 | 0 | 0 | 112.8 | Y766 S772 | Y766-P768 HydrophobicContact CE1-CB 4.16Å; P768-S772 WeakPolarHBondContact O-CB 3.31Å; P768-S772 PolarHBondContact O-N 3.42Å; P768-S772 PolarHBondContact O-OG 2.65Å |
| 769 | F | 86.2 | Confident | 86.6 | Confident | 161 Ų | 161 | 56.3 Ų | 56.3 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.3 | -39.3 | -179.4 | -62.8 | -75.1 | 0 | 0 | 0 | 113.1 | H767 F773 | H767-F769 AromaticContact CE1-CD2 3.52Å; H767-F769 PolarHBondContact O-N 3.27Å; F769-F773 WeakPolarHBondContact O-CB 3.4Å; F769-F773 PolarHBondContact O-N 3.02Å |
| 770 | V | 87.8 | Confident | 86.6 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.4 | -36.9 | -179.5 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | W633 M763 H767 F773 L774 | W633-V770 HydrophobicContact CH2-CG1 3.85Å; W633-V770 HydrophobicContact CZ2-CG1 3.75Å; M763-V770 HydrophobicContact CE-CB 3.46Å; M763-V770 VanDerWaalsContact CE-CB 3.46Å; M763-V770 HydrophobicContact CE-CG1 3.21Å; H767-V770 HydrophobicContact CB-CB 4.47Å; H767-V770 HydrophobicContact CB-CG2 4.44Å; H767-V770 PolarHBondContact O-N 3.49Å; V770-F773 PolarHBondContact O-N 3.31Å; V770-L774 HydrophobicContact CG1-CD1 4.19Å; V770-L774 HydrophobicContact CG1-CG 4.47Å; V770-L774 WeakPolarHBondContact O-CG 3.38Å; V770-L774 PolarHBondContact O-N 3.36Å |
| 771 | T | 85.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 172.4 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | F758 V759 Y766 H767 F773 L774 L775 | F758-T771 HydrophobicContact CE1-CG2 3.7Å; F758-T771 HydrophobicContact CZ-CG2 3.69Å; V759-T771 HydrophobicContact CG1-CG2 3.96Å; Y766-T771 HydrophobicContact CE2-CG2 4.03Å; H767-T771 WeakPolarHBondContact O-CB 3.3Å; H767-T771 PolarHBondContact O-N 2.85Å; H767-T771 PolarHBondContact O-OG1 3Å; T771-F773 VanDerWaalsContact C-N 3.34Å; T771-F773 PolarHBondContact O-N 3.11Å; T771-L774 PolarHBondContact O-N 3.38Å; T771-L775 WeakPolarHBondContact O-CB 3.49Å; T771-L775 PolarHBondContact O-N 3.18Å |
| 772 | S | 83.7 | Confident | 86.6 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | P768 L775 L776 | P768-S772 WeakPolarHBondContact O-CB 3.31Å; P768-S772 PolarHBondContact O-N 3.42Å; P768-S772 PolarHBondContact O-OG 2.65Å; S772-L775 PolarHBondContact O-N 2.88Å; S772-L776 WeakPolarHBondContact O-CG 3.47Å; S772-L776 PolarHBondContact O-N 3.3Å |
| 773 | F | 90.6 | Very high | 86.5 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 48% | 0.478 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 176.8 | 175.3 | -108.5 | 0 | 0 | 0 | 112.8 | W633 F769 V770 T771 L775 L776 I777 | W633-F773 HydrophobicContact CZ3-CE1 4.4Å; F769-F773 WeakPolarHBondContact O-CB 3.4Å; F769-F773 PolarHBondContact O-N 3.02Å; V770-F773 PolarHBondContact O-N 3.31Å; T771-F773 VanDerWaalsContact C-N 3.34Å; T771-F773 PolarHBondContact O-N 3.11Å; F773-L775 VanDerWaalsContact C-N 3.3Å; F773-L775 PolarHBondContact O-N 2.89Å; F773-L776 PolarHBondContact O-N 3.35Å; F773-I777 HydrophobicContact CD1-CD1 3.88Å; F773-I777 HydrophobicContact CD2-CD1 4.49Å; F773-I777 HydrophobicContact CE1-CD1 3.35Å; F773-I777 HydrophobicContact CE2-CD1 4.03Å; F773-I777 HydrophobicContact CE2-CG1 4.46Å; F773-I777 HydrophobicContact CG-CD1 4.43Å; F773-I777 HydrophobicContact CZ-CD1 3.45Å; F773-I777 VanDerWaalsContact CZ-CD1 3.45Å; F773-I777 HydrophobicContact CZ-CG1 4.31Å; F773-I777 WeakPolarHBondContact O-CG1 3.33Å; F773-I777 PolarHBondContact O-N 2.79Å |
| 774 | L | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | 176.7 | -70.8 | 171.6 | 0 | 0 | 0 | 111.6 | W633 L636 M668 F758 V759 F762 M763 V770 T771 I777 K778 | W633-L774 HydrophobicContact CH2-CD1 4.41Å; W633-L774 HydrophobicContact CH2-CD2 3.92Å; W633-L774 HydrophobicContact CH2-CG 4.28Å; W633-L774 HydrophobicContact CZ3-CD2 4.17Å; L636-L774 HydrophobicContact CD2-CD2 3.69Å; M668-L774 HydrophobicContact SD-CB 4.23Å; M668-L774 HydrophobicContact SD-CD2 4.31Å; F758-L774 HydrophobicContact CE2-CB 4.04Å; V759-L774 HydrophobicContact CB-CD1 4.16Å; V759-L774 HydrophobicContact CG1-CB 4.28Å; V759-L774 HydrophobicContact CG1-CD1 3.75Å; F762-L774 HydrophobicContact CB-CD1 3.66Å; F762-L774 HydrophobicContact CD1-CD1 4.38Å; F762-L774 HydrophobicContact CD1-CD2 4.29Å; F762-L774 HydrophobicContact CD2-CD1 3.74Å; F762-L774 HydrophobicContact CD2-CD2 4.4Å; F762-L774 HydrophobicContact CE1-CD2 4.36Å; F762-L774 HydrophobicContact CE2-CD2 4.48Å; F762-L774 HydrophobicContact CG-CD1 3.66Å; F762-L774 HydrophobicContact CG-CD2 4.3Å; F762-L774 HydrophobicContact CZ-CD2 4.45Å; M763-L774 HydrophobicContact CE-CD1 4.23Å; V770-L774 HydrophobicContact CG1-CD1 4.19Å; V770-L774 HydrophobicContact CG1-CG 4.47Å; V770-L774 WeakPolarHBondContact O-CG 3.38Å; V770-L774 PolarHBondContact O-N 3.36Å; T771-L774 PolarHBondContact O-N 3.38Å; L774-I777 PolarHBondContact O-N 3.09Å; L774-K778 PolarHBondContact O-N 3.33Å |
| 775 | L | 85.5 | Confident | 87.1 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 174.7 | -177.8 | 61 | 0 | 0 | 0 | 111.6 | F740 V751 F758 T771 S772 F773 I777 K778 V779 | F740-L775 HydrophobicContact CE1-CD1 3.66Å; F740-L775 HydrophobicContact CZ-CD1 3.52Å; V751-L775 HydrophobicContact CG1-CD2 3.83Å; F758-L775 HydrophobicContact CE2-CB 4.27Å; F758-L775 HydrophobicContact CZ-CB 3.92Å; F758-L775 HydrophobicContact CZ-CD1 4.39Å; T771-L775 WeakPolarHBondContact O-CB 3.49Å; T771-L775 PolarHBondContact O-N 3.18Å; S772-L775 PolarHBondContact O-N 2.88Å; F773-L775 VanDerWaalsContact C-N 3.3Å; F773-L775 PolarHBondContact O-N 2.89Å; L775-I777 VanDerWaalsContact C-N 3.3Å; L775-I777 PolarHBondContact O-N 3.34Å; L775-K778 PolarHBondContact O-N 3.09Å; L775-V779 HydrophobicContact CD1-CG2 4.3Å; L775-V779 HydrophobicContact CG-CG2 4.34Å; L775-V779 WeakPolarHBondContact O-CG2 3.37Å; L775-V779 PolarHBondContact O-N 2.88Å |
| 776 | L | 86.3 | Confident | 87.5 | Confident | 119 Ų | 119 | 42 Ų | 42 | 62% | 0.623 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -59.3 | -41.9 | 176.2 | -73.8 | 171.3 | 0 | 0 | 0 | 111.7 | S772 F773 V779 A780 | S772-L776 WeakPolarHBondContact O-CG 3.47Å; S772-L776 PolarHBondContact O-N 3.3Å; F773-L776 PolarHBondContact O-N 3.35Å; L776-V779 PolarHBondContact O-N 2.93Å; L776-A780 VanDerWaalsContact O-CB 3.27Å; L776-A780 WeakPolarHBondContact O-CB 3.47Å; L776-A780 PolarHBondContact O-N 3.15Å |
| 777 | I | 90.2 | Very high | 88.3 | Confident | 27 Ų | 27 | 36.1 Ų | 36.1 | 14% | 0.138 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -50.8 | 174.1 | -67.6 | 164.7 | 0 | 0 | 0 | 110.2 | L636 F640 M668 F773 L774 L775 V779 A780 I781 | L636-I777 HydrophobicContact CD1-CG2 4.41Å; L636-I777 HydrophobicContact CD2-CD1 4.48Å; F640-I777 HydrophobicContact CE2-CG2 3.9Å; F640-I777 HydrophobicContact CZ-CG2 3.58Å; M668-I777 HydrophobicContact CE-CG2 4.14Å; F773-I777 HydrophobicContact CD1-CD1 3.88Å; F773-I777 HydrophobicContact CD2-CD1 4.49Å; F773-I777 HydrophobicContact CE1-CD1 3.35Å; F773-I777 HydrophobicContact CE2-CD1 4.03Å; F773-I777 HydrophobicContact CE2-CG1 4.46Å; F773-I777 HydrophobicContact CG-CD1 4.43Å; F773-I777 HydrophobicContact CZ-CD1 3.45Å; F773-I777 VanDerWaalsContact CZ-CD1 3.45Å; F773-I777 HydrophobicContact CZ-CG1 4.31Å; F773-I777 WeakPolarHBondContact O-CG1 3.33Å; F773-I777 PolarHBondContact O-N 2.79Å; L774-I777 PolarHBondContact O-N 3.09Å; L775-I777 VanDerWaalsContact C-N 3.3Å; L775-I777 PolarHBondContact O-N 3.34Å; I777-V779 VanDerWaalsContact C-N 3.31Å; I777-V779 PolarHBondContact O-N 3.23Å; I777-A780 PolarHBondContact O-N 3.39Å; I777-A780 VanDerWaalsContact O-N 3.11Å; I777-I781 HydrophobicContact CG2-CD1 4.18Å; I777-I781 HydrophobicContact CG2-CG1 4.38Å; I777-I781 WeakPolarHBondContact O-CG1 3.4Å; I777-I781 PolarHBondContact O-N 3.17Å; I777-I781 VanDerWaalsContact O-N 3.12Å |
| 778 | K | 88.8 | Confident | 88.8 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.2 | -46.5 | 179.9 | -172.1 | 179 | 178.1 | 176.7 | 0 | 111.6 | F665 M668 E673 Q739 F740 L774 L775 A780 I781 P782 | F665-K778 HydrophobicContact CD2-CG 4.09Å; F665-K778 HydrophobicContact CE2-CG 3.95Å; M668-K778 HydrophobicContact CB-CD 3.99Å; M668-K778 HydrophobicContact CB-CG 4.41Å; M668-K778 HydrophobicContact CE-CB 3.87Å; M668-K778 HydrophobicContact CE-CG 4.36Å; M668-K778 WeakPolarHBondContact O-CE 3.42Å; M668-K778 PolarHBondContact O-NZ 3.44Å; M668-K778 HydrophobicContact SD-CB 4Å; E673-K778 VanDerWaalsContact CD-NZ 3.29Å; E673-K778 IonicContact OE1-NZ 2.65Å; E673-K778 PolarHBondContact OE1-NZ 2.67Å; E673-K778 IonicContact OE2-NZ 3.12Å; E673-K778 PolarHBondContact OE2-NZ 2.79Å; Q739-K778 PolarHBondContact OE1-O 3.46Å; F740-K778 HydrophobicContact CZ-CD 4.49Å; L774-K778 PolarHBondContact O-N 3.33Å; L775-K778 PolarHBondContact O-N 3.09Å; K778-A780 VanDerWaalsContact C-N 3.35Å; K778-A780 PolarHBondContact O-N 3.15Å; K778-I781 PolarHBondContact O-N 3.03Å; K778-P782 WeakPolarHBondContact O-CD 3.21Å |
| 779 | V | 86.4 | Confident | 89.4 | Confident | 20 Ų | 20 | 29 Ų | 29 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 178 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | F736 F740 L775 L776 I777 P782 W783 | F736-V779 HydrophobicContact CD2-CG1 3.8Å; F736-V779 HydrophobicContact CE2-CG1 3.92Å; F740-V779 HydrophobicContact CD2-CG2 4.46Å; F740-V779 HydrophobicContact CE2-CB 4.22Å; F740-V779 HydrophobicContact CE2-CG2 3.32Å; F740-V779 HydrophobicContact CZ-CG2 3.58Å; L775-V779 HydrophobicContact CD1-CG2 4.3Å; L775-V779 HydrophobicContact CG-CG2 4.34Å; L775-V779 WeakPolarHBondContact O-CG2 3.37Å; L775-V779 PolarHBondContact O-N 2.88Å; L776-V779 PolarHBondContact O-N 2.93Å; I777-V779 VanDerWaalsContact C-N 3.31Å; I777-V779 PolarHBondContact O-N 3.23Å; V779-P782 WeakPolarHBondContact O-CD 3.21Å; V779-W783 HydrophobicContact CG1-CH2 4.16Å; V779-W783 HydrophobicContact CG1-CZ2 4.44Å; V779-W783 HydrophobicContact CG1-CZ3 4.19Å |
| 780 | A | 88.7 | Confident | 89.6 | Confident | 32 Ų | 32 | 21.3 Ų | 21.3 | 26% | 0.264 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -74.8 | -22.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L776 I777 K778 W783 L784 | L776-A780 VanDerWaalsContact O-CB 3.27Å; L776-A780 WeakPolarHBondContact O-CB 3.47Å; L776-A780 PolarHBondContact O-N 3.15Å; I777-A780 PolarHBondContact O-N 3.39Å; I777-A780 VanDerWaalsContact O-N 3.11Å; K778-A780 VanDerWaalsContact C-N 3.35Å; K778-A780 PolarHBondContact O-N 3.15Å; A780-W783 PolarHBondContact O-N 3.16Å; A780-L784 WeakPolarHBondContact O-CB 3.39Å; A780-L784 PolarHBondContact O-N 3.49Å |
| 781 | I | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.4 | -53.9 | -176.7 | -70.6 | 165.2 | 0 | 0 | 0 | 112.1 | F640 L661 F665 M668 F677 I777 K778 W783 L784 I785 | F640-I781 HydrophobicContact CZ-CD1 4.45Å; F640-I781 HydrophobicContact CZ-CG1 4.15Å; L661-I781 HydrophobicContact CB-CG2 3.7Å; L661-I781 HydrophobicContact CD1-CG2 4.25Å; L661-I781 HydrophobicContact CG-CG2 4.4Å; F665-I781 HydrophobicContact CB-CD1 4.25Å; M668-I781 HydrophobicContact CE-CD1 3.86Å; F677-I781 HydrophobicContact CE2-CG2 3.54Å; F677-I781 HydrophobicContact CZ-CG2 3.57Å; I777-I781 HydrophobicContact CG2-CD1 4.18Å; I777-I781 HydrophobicContact CG2-CG1 4.38Å; I777-I781 WeakPolarHBondContact O-CG1 3.4Å; I777-I781 PolarHBondContact O-N 3.17Å; I777-I781 VanDerWaalsContact O-N 3.12Å; K778-I781 PolarHBondContact O-N 3.03Å; I781-W783 PolarHBondContact O-N 3.27Å; I781-L784 WeakPolarHBondContact O-CB 3.49Å; I781-L784 PolarHBondContact O-N 3.27Å; I781-L784 VanDerWaalsContact O-N 3.12Å; I781-I785 PolarHBondContact O-N 3.39Å; I781-I785 VanDerWaalsContact O-N 3.13Å |
| 782 | P | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.9 | -36 | 177 | -26 | 34.1 | 0 | 0 | 0 | 113.6 | F665 F677 Y680 K778 V779 A786 | F665-P782 HydrophobicContact CE2-CG 4.43Å; F677-P782 HydrophobicContact CD2-CG 4.44Å; F677-P782 HydrophobicContact CE2-CG 4.21Å; Y680-P782 HydrophobicContact CE1-CB 3.85Å; Y680-P782 PolarHBondContact OH-O 3.31Å; K778-P782 WeakPolarHBondContact O-CD 3.21Å; V779-P782 WeakPolarHBondContact O-CD 3.21Å; P782-A786 WeakPolarHBondContact O-CB 3.42Å; P782-A786 PolarHBondContact O-N 3.37Å |
| 783 | W | 90.9 | Very high | 89.7 | Confident | 14 Ų | 14 | 17.2 Ų | 17.2 | 5% | 0.053 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69 | -36.5 | 176.4 | -67.7 | -12 | 0 | 0 | 0 | 112.5 | L732 F736 V779 A780 I781 A786 C787 I848 V852 | L732-W783 HydrophobicContact CD2-CB 4.1Å; L732-W783 HydrophobicContact CD2-CG 3.9Å; L732-W783 PolarHBondContact O-NE1 3.34Å; F736-W783 HydrophobicContact CB-CZ2 3.93Å; F736-W783 AromaticContact CD2-CH2 3.93Å; F736-W783 HydrophobicContact CD2-CH2 3.93Å; F736-W783 AromaticContact CD2-CZ2 3.42Å; F736-W783 HydrophobicContact CD2-CZ2 3.42Å; F736-W783 VanDerWaalsContact CD2-CZ2 3.42Å; F736-W783 HydrophobicContact CE2-CH2 4.32Å; F736-W783 HydrophobicContact CE2-CZ2 4.22Å; F736-W783 AromaticContact CG-CZ2 3.92Å; F736-W783 HydrophobicContact CG-CZ2 3.92Å; V779-W783 HydrophobicContact CG1-CH2 4.16Å; V779-W783 HydrophobicContact CG1-CZ2 4.44Å; V779-W783 HydrophobicContact CG1-CZ3 4.19Å; A780-W783 PolarHBondContact O-N 3.16Å; I781-W783 PolarHBondContact O-N 3.27Å; W783-A786 WeakPolarHBondContact O-CB 3.37Å; W783-A786 PolarHBondContact O-N 2.68Å; W783-C787 WeakPolarHBondContact O-CB 3.44Å; W783-C787 PolarHBondContact O-N 3.18Å; W783-C787 PolarHBondContact O-SG 3.2Å; W783-I848 HydrophobicContact CE3-CG2 3.67Å; W783-I848 HydrophobicContact CZ3-CB 4.2Å; W783-I848 HydrophobicContact CZ3-CD1 4.09Å; W783-I848 HydrophobicContact CZ3-CG2 3.59Å; W783-V852 HydrophobicContact CB-CG1 4.4Å |
| 784 | L | 92.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 12.2 Ų | 12.2 | 6% | 0.063 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.6 | -178.8 | 59 | 0 | 0 | 0 | 111.1 | F640 L661 A780 I781 A786 C787 C788 V852 A855 A856 F859 | F640-L784 HydrophobicContact CE1-CD2 4.33Å; L661-L784 HydrophobicContact CD1-CB 4.5Å; L661-L784 HydrophobicContact CD1-CD2 3.81Å; L661-L784 HydrophobicContact CD1-CG 4.18Å; L661-L784 HydrophobicContact CD2-CD2 4.37Å; A780-L784 WeakPolarHBondContact O-CB 3.39Å; A780-L784 PolarHBondContact O-N 3.49Å; I781-L784 WeakPolarHBondContact O-CB 3.49Å; I781-L784 PolarHBondContact O-N 3.27Å; I781-L784 VanDerWaalsContact O-N 3.12Å; L784-A786 VanDerWaalsContact C-N 3.3Å; L784-A786 PolarHBondContact O-N 3.35Å; L784-C787 PolarHBondContact O-N 3.18Å; L784-C788 PolarHBondContact O-N 3.26Å; L784-C788 PolarHBondContact O-SG 2.84Å; L784-C788 VanDerWaalsContact O-SG 3.33Å; L784-V852 VanDerWaalsContact CA-CG1 3.48Å; L784-V852 HydrophobicContact CB-CG1 3.99Å; L784-V852 HydrophobicContact CD1-CG1 4.01Å; L784-A855 HydrophobicContact CD1-CB 4.12Å; L784-A856 HydrophobicContact CD1-CB 4.1Å; L784-F859 HydrophobicContact CD2-CD1 4.22Å; L784-F859 HydrophobicContact CD2-CE1 4Å; L784-F859 HydrophobicContact CD2-CZ 4.23Å |
| 785 | I | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63 | -40 | 174.7 | -57.5 | -174.7 | 0 | 0 | 0 | 110.5 | I657 L661 F677 T681 M684 Y685 I781 C787 C788 S789 | I657-I785 HydrophobicContact CG2-CG1 4.38Å; L661-I785 HydrophobicContact CB-CD1 4.41Å; L661-I785 HydrophobicContact CD1-CD1 4.31Å; L661-I785 HydrophobicContact CD1-CG1 3.75Å; F677-I785 HydrophobicContact CE1-CD1 3.6Å; F677-I785 HydrophobicContact CE2-CD1 4.11Å; F677-I785 HydrophobicContact CZ-CD1 3.2Å; F677-I785 HydrophobicContact CZ-CG1 4.41Å; T681-I785 HydrophobicContact CG2-CD1 4.41Å; T681-I785 HydrophobicContact CG2-CG2 3.96Å; M684-I785 HydrophobicContact CE-CB 3.95Å; M684-I785 HydrophobicContact CE-CG2 3.28Å; Y685-I785 HydrophobicContact CE1-CG2 4Å; I781-I785 PolarHBondContact O-N 3.39Å; I781-I785 VanDerWaalsContact O-N 3.13Å; I785-C787 VanDerWaalsContact C-N 3.34Å; I785-C787 PolarHBondContact O-N 2.92Å; I785-C788 PolarHBondContact O-N 3.46Å; I785-S789 WeakPolarHBondContact O-CB 3.42Å; I785-S789 PolarHBondContact O-N 3.28Å; I785-S789 PolarHBondContact O-OG 3.22Å |
| 786 | A | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M684 F728 L732 P782 W783 L784 C788 S789 L790 | M684-A786 HydrophobicContact CE-CB 4.46Å; M684-A786 WeakPolarHBondContact SD-CA 3.4Å; M684-A786 HydrophobicContact SD-CB 3.8Å; F728-A786 HydrophobicContact CD2-CB 4.38Å; F728-A786 HydrophobicContact CE2-CB 3.81Å; F728-A786 WeakPolarHBondContact CE2-O 3.5Å; L732-A786 HydrophobicContact CD2-CB 3.91Å; P782-A786 WeakPolarHBondContact O-CB 3.42Å; P782-A786 PolarHBondContact O-N 3.37Å; W783-A786 WeakPolarHBondContact O-CB 3.37Å; W783-A786 PolarHBondContact O-N 2.68Å; L784-A786 VanDerWaalsContact C-N 3.3Å; L784-A786 PolarHBondContact O-N 3.35Å; A786-C788 PolarHBondContact O-N 3.19Å; A786-S789 WeakPolarHBondContact O-CB 3.07Å; A786-S789 PolarHBondContact O-N 3.41Å; A786-L790 WeakPolarHBondContact O-CB 3.48Å; A786-L790 PolarHBondContact O-N 3.48Å |
| 787 | C | 92 | Very high | 88 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 177.8 | -66 | 0 | 0 | 0 | 0 | 111.9 | W783 L784 I785 S789 L790 C791 V852 A856 | W783-C787 WeakPolarHBondContact O-CB 3.44Å; W783-C787 PolarHBondContact O-N 3.18Å; W783-C787 PolarHBondContact O-SG 3.2Å; L784-C787 PolarHBondContact O-N 3.18Å; I785-C787 VanDerWaalsContact C-N 3.34Å; I785-C787 PolarHBondContact O-N 2.92Å; C787-S789 VanDerWaalsContact C-N 3.32Å; C787-S789 PolarHBondContact O-N 3.49Å; C787-L790 PolarHBondContact O-N 3.1Å; C787-C791 PolarHBondContact O-N 3.06Å; C787-C791 PolarHBondContact O-SG 3Å; C787-V852 HydrophobicContact CB-CG1 4.2Å; C787-A856 HydrophobicContact CB-CB 3.44Å; C787-A856 VanDerWaalsContact CB-CB 3.44Å |
| 788 | C | 91.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 174.1 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | L654 I657 L784 I785 A786 C791 T792 T860 | L654-C788 HydrophobicContact CD2-CB 4.24Å; I657-C788 HydrophobicContact CD1-CB 4.45Å; L784-C788 PolarHBondContact O-N 3.26Å; L784-C788 PolarHBondContact O-SG 2.84Å; L784-C788 VanDerWaalsContact O-SG 3.33Å; I785-C788 PolarHBondContact O-N 3.46Å; A786-C788 PolarHBondContact O-N 3.19Å; C788-C791 WeakPolarHBondContact O-CB 3.45Å; C788-C791 PolarHBondContact O-N 2.82Å; C788-T792 PolarHBondContact O-N 2.83Å; C788-T792 VanDerWaalsContact O-N 3.1Å; C788-T792 PolarHBondContact O-OG1 2.96Å; C788-T860 HydrophobicContact CB-CG2 4.05Å |
| 789 | S | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | M684 Y685 I785 A786 C787 T792 L793 | M684-S789 VanDerWaalsContact CE-OG 3.23Å; M684-S789 WeakPolarHBondContact CE-OG 3.5Å; Y685-S789 VanDerWaalsContact CE1-OG 3.32Å; Y685-S789 WeakPolarHBondContact CE1-OG 3.32Å; I785-S789 WeakPolarHBondContact O-CB 3.42Å; I785-S789 PolarHBondContact O-N 3.28Å; I785-S789 PolarHBondContact O-OG 3.22Å; A786-S789 WeakPolarHBondContact O-CB 3.07Å; A786-S789 PolarHBondContact O-N 3.41Å; C787-S789 VanDerWaalsContact C-N 3.32Å; C787-S789 PolarHBondContact O-N 3.49Å; S789-T792 WeakPolarHBondContact O-CB 3.49Å; S789-T792 PolarHBondContact O-N 3.43Å; S789-L793 PolarHBondContact O-N 2.99Å |
| 790 | L | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 174.9 | -172.4 | 68.6 | 0 | 0 | 0 | 112.3 | F728 A786 C787 T792 L793 A794 L801 F804 Y805 | F728-L790 HydrophobicContact CB-CD1 4.22Å; F728-L790 HydrophobicContact CD1-CD2 3.94Å; F728-L790 HydrophobicContact CD2-CB 3.93Å; F728-L790 HydrophobicContact CD2-CD1 4.16Å; F728-L790 HydrophobicContact CD2-CD2 4Å; F728-L790 HydrophobicContact CD2-CG 4.26Å; F728-L790 HydrophobicContact CE1-CD2 3.79Å; F728-L790 HydrophobicContact CE2-CB 3.91Å; F728-L790 HydrophobicContact CE2-CD2 3.86Å; F728-L790 HydrophobicContact CE2-CG 4.39Å; F728-L790 HydrophobicContact CG-CD1 4.07Å; F728-L790 HydrophobicContact CG-CD2 4.03Å; F728-L790 HydrophobicContact CG-CG 4.47Å; F728-L790 HydrophobicContact CZ-CD2 3.75Å; A786-L790 WeakPolarHBondContact O-CB 3.48Å; A786-L790 PolarHBondContact O-N 3.48Å; C787-L790 PolarHBondContact O-N 3.1Å; L790-T792 VanDerWaalsContact C-N 3.25Å; L790-T792 PolarHBondContact O-N 3.43Å; L790-L793 HydrophobicContact CD1-CD2 4.35Å; L790-L793 PolarHBondContact O-N 2.98Å; L790-A794 WeakPolarHBondContact O-CB 3.36Å; L790-A794 PolarHBondContact O-N 3.29Å; L790-L801 HydrophobicContact CB-CD1 4.45Å; L790-L801 HydrophobicContact CD2-CD1 3.92Å; L790-L801 HydrophobicContact CG-CD1 3.74Å; L790-F804 HydrophobicContact CD1-CB 3.95Å; L790-F804 HydrophobicContact CD1-CD1 4.11Å; L790-F804 HydrophobicContact CD1-CD2 3.78Å; L790-F804 HydrophobicContact CD1-CE2 4.33Å; L790-F804 HydrophobicContact CD1-CG 3.68Å; L790-F804 HydrophobicContact CD2-CB 3.78Å; L790-F804 HydrophobicContact CD2-CG 4.38Å; L790-F804 HydrophobicContact CG-CB 4.26Å; L790-F804 HydrophobicContact CG-CD2 4.22Å; L790-F804 HydrophobicContact CG-CG 4.32Å; L790-Y805 HydrophobicContact CD2-CD1 4.27Å; L790-Y805 HydrophobicContact CD2-CE1 3.69Å |
| 791 | C | 86.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.007 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -56.7 | -42.3 | 172.4 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | C787 C788 M795 | C787-C791 PolarHBondContact O-N 3.06Å; C787-C791 PolarHBondContact O-SG 3Å; C788-C791 WeakPolarHBondContact O-CB 3.45Å; C788-C791 PolarHBondContact O-N 2.82Å; C791-M795 WeakPolarHBondContact O-CB 3.31Å; C791-M795 PolarHBondContact O-N 2.59Å; C791-M795 VanDerWaalsContact O-N 3.16Å |
| 792 | T | 86.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.018 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.9 | -45 | 177.1 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | V650 L654 V688 F704 C788 S789 L790 A794 M795 F796 | V650-T792 HydrophobicContact CG1-CG2 3.62Å; L654-T792 HydrophobicContact CD1-CG2 4.01Å; V688-T792 HydrophobicContact CG1-CG2 4.11Å; F704-T792 WeakPolarHBondContact CE1-OG1 3.46Å; F704-T792 HydrophobicContact CZ-CG2 4.44Å; F704-T792 VanDerWaalsContact CZ-OG1 3.27Å; F704-T792 WeakPolarHBondContact CZ-OG1 3.22Å; C788-T792 PolarHBondContact O-N 2.83Å; C788-T792 VanDerWaalsContact O-N 3.1Å; C788-T792 PolarHBondContact O-OG1 2.96Å; S789-T792 WeakPolarHBondContact O-CB 3.49Å; S789-T792 PolarHBondContact O-N 3.43Å; L790-T792 VanDerWaalsContact C-N 3.25Å; L790-T792 PolarHBondContact O-N 3.43Å; T792-A794 PolarHBondContact O-N 3.05Å; T792-M795 WeakPolarHBondContact O-CB 3.34Å; T792-M795 PolarHBondContact O-N 2.57Å; T792-F796 HydrophobicContact CG2-CD2 3.88Å; T792-F796 HydrophobicContact CG2-CE2 3.58Å; T792-F796 WeakPolarHBondContact O-CD2 3.24Å; T792-F796 PolarHBondContact O-N 2.9Å |
| 793 | L | 86.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61 | -46 | 178.1 | 179.2 | 61.6 | 0 | 0 | 0 | 112.1 | W687 V688 E691 T692 R724 S789 L790 M795 F796 T797 | W687-L793 HydrophobicContact CH2-CD2 3.53Å; W687-L793 HydrophobicContact CZ2-CD2 3.65Å; W687-L793 HydrophobicContact CZ3-CD2 4.27Å; V688-L793 HydrophobicContact CG1-CB 4.35Å; V688-L793 HydrophobicContact CG2-CB 4.39Å; E691-L793 HydrophobicContact CB-CD1 3.3Å; E691-L793 HydrophobicContact CG-CD1 3.95Å; E691-L793 HydrophobicContact CG-CD2 4.5Å; T692-L793 HydrophobicContact CG2-CD1 4.24Å; R724-L793 HydrophobicContact CB-CD2 4.12Å; R724-L793 HydrophobicContact CG-CD2 4.05Å; S789-L793 PolarHBondContact O-N 2.99Å; L790-L793 HydrophobicContact CD1-CD2 4.35Å; L790-L793 PolarHBondContact O-N 2.98Å; L793-M795 VanDerWaalsContact C-N 3.31Å; L793-M795 PolarHBondContact O-N 3.41Å; L793-F796 PolarHBondContact O-N 3.46Å; L793-T797 HydrophobicContact CD1-CG2 3.58Å; L793-T797 HydrophobicContact CG-CG2 4.27Å; L793-T797 WeakPolarHBondContact O-CB 3.35Å; L793-T797 VanDerWaalsContact O-CG2 3.3Å; L793-T797 WeakPolarHBondContact O-CG2 3.13Å; L793-T797 PolarHBondContact O-N 3.38Å; L793-T797 PolarHBondContact O-OG1 2.89Å |
| 794 | A | 81.7 | Confident | 83.6 | Confident | 5 Ų | 5 | 13.1 Ų | 13.1 | 4% | 0.041 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L790 T792 F796 S799 L801 F804 | L790-A794 WeakPolarHBondContact O-CB 3.36Å; L790-A794 PolarHBondContact O-N 3.29Å; T792-A794 PolarHBondContact O-N 3.05Å; A794-F796 VanDerWaalsContact C-N 3.33Å; A794-F796 PolarHBondContact O-N 2.93Å; A794-S799 PolarHBondContact O-N 3.04Å; A794-L801 HydrophobicContact CB-CB 4.07Å; A794-L801 HydrophobicContact CB-CD1 3.91Å; A794-F804 HydrophobicContact CB-CD2 4.38Å; A794-F804 HydrophobicContact CB-CE2 4.01Å |
| 795 | M | 78.6 | Confident | 83.1 | Confident | 16 Ų | 16 | 13.1 Ų | 13.1 | 8% | 0.079 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.3 | -44.5 | 177.5 | 177.6 | 169.7 | -61.5 | 0 | 0 | 112.9 | V650 W702 F704 E707 C791 T792 L793 | V650-M795 HydrophobicContact CG2-SD 4.38Å; W702-M795 VanDerWaalsContact CD1-SD 3.55Å; W702-M795 PolarHBondContact NE1-SD 3.5Å; W702-M795 VanDerWaalsContact NE1-SD 3.37Å; F704-M795 HydrophobicContact CB-CE 4.29Å; F704-M795 HydrophobicContact CD1-CE 3.44Å; F704-M795 VanDerWaalsContact CD1-CE 3.44Å; F704-M795 HydrophobicContact CD1-SD 3.97Å; F704-M795 HydrophobicContact CE1-CE 4.21Å; F704-M795 HydrophobicContact CE1-SD 4.45Å; F704-M795 HydrophobicContact CG-CE 4.28Å; E707-M795 HydrophobicContact CB-CE 4.1Å; E707-M795 HydrophobicContact CG-CE 4.01Å; E707-M795 HydrophobicContact CG-CG 4.24Å; E707-M795 WeakPolarHBondContact OE1-CA 3.48Å; E707-M795 WeakPolarHBondContact OE1-CB 3.49Å; C791-M795 WeakPolarHBondContact O-CB 3.31Å; C791-M795 PolarHBondContact O-N 2.59Å; C791-M795 VanDerWaalsContact O-N 3.16Å; T792-M795 WeakPolarHBondContact O-CB 3.34Å; T792-M795 PolarHBondContact O-N 2.57Å; L793-M795 VanDerWaalsContact C-N 3.31Å; L793-M795 PolarHBondContact O-N 3.41Å |
| 796 | F | 79.4 | Confident | 82.6 | Confident | 25 Ų | 25 | 13.8 Ų | 13.8 | 11% | 0.11 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -87.9 | -25.2 | -174.9 | -71.6 | -60 | 0 | 0 | 0 | 114.2 | V650 T692 L694 V699 W702 T792 L793 A794 S798 | V650-F796 HydrophobicContact CG1-CE2 4.18Å; V650-F796 HydrophobicContact CG1-CZ 4.46Å; V650-F796 HydrophobicContact CG2-CE2 4.45Å; V650-F796 HydrophobicContact CG2-CZ 4.18Å; T692-F796 HydrophobicContact CG2-CB 3.37Å; T692-F796 HydrophobicContact CG2-CD2 3.75Å; T692-F796 HydrophobicContact CG2-CG 3.86Å; L694-F796 HydrophobicContact CD1-CB 3.87Å; L694-F796 HydrophobicContact CD1-CD1 3.2Å; L694-F796 HydrophobicContact CD1-CE1 3.84Å; L694-F796 HydrophobicContact CD1-CG 3.69Å; V699-F796 HydrophobicContact CG1-CZ 4.43Å; W702-F796 HydrophobicContact CB-CE1 3.98Å; W702-F796 HydrophobicContact CB-CZ 3.94Å; W702-F796 HydrophobicContact CD2-CD1 4.4Å; W702-F796 AromaticContact CD2-CE1 3.62Å; W702-F796 HydrophobicContact CD2-CE1 3.62Å; W702-F796 HydrophobicContact CD2-CZ 4.38Å; W702-F796 HydrophobicContact CE3-CD1 4.42Å; W702-F796 AromaticContact CE3-CE1 3.79Å; W702-F796 HydrophobicContact CE3-CE1 3.79Å; W702-F796 AromaticContact CG-CE1 3.7Å; W702-F796 HydrophobicContact CG-CE1 3.7Å; W702-F796 AromaticContact CG-CZ 3.98Å; W702-F796 HydrophobicContact CG-CZ 3.98Å; W702-F796 HydrophobicContact CZ3-CE1 4.47Å; T792-F796 HydrophobicContact CG2-CD2 3.88Å; T792-F796 HydrophobicContact CG2-CE2 3.58Å; T792-F796 WeakPolarHBondContact O-CD2 3.24Å; T792-F796 PolarHBondContact O-N 2.9Å; L793-F796 PolarHBondContact O-N 3.46Å; A794-F796 VanDerWaalsContact C-N 3.33Å; A794-F796 PolarHBondContact O-N 2.93Å; F796-S798 VanDerWaalsContact C-N 3.31Å; F796-S798 PolarHBondContact O-N 3.39Å |
| 797 | T | 77.8 | Confident | 82 | Confident | 15 Ų | 15 | 15 Ų | 15 | 9% | 0.092 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 6.9 | -175.8 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | R724 L793 S799 | R724-T797 VanDerWaalsContact NH1-CB 3.32Å; R724-T797 VanDerWaalsContact NH2-CG2 3.32Å; L793-T797 HydrophobicContact CD1-CG2 3.58Å; L793-T797 HydrophobicContact CG-CG2 4.27Å; L793-T797 WeakPolarHBondContact O-CB 3.35Å; L793-T797 VanDerWaalsContact O-CG2 3.3Å; L793-T797 WeakPolarHBondContact O-CG2 3.13Å; L793-T797 PolarHBondContact O-N 3.38Å; L793-T797 PolarHBondContact O-OG1 2.89Å; T797-S799 PolarHBondContact O-N 3.5Å; T797-S799 PolarHBondContact O-OG 3.37Å; T797-S799 WeakPolarHBondContact OG1-CB 3.28Å; T797-S799 PolarHBondContact OG1-OG 3.24Å |
| 798 | S | 70.1 | Confident | 81.7 | Confident | 63 Ų | 63 | 15.2 Ų | 15.2 | 44% | 0.441 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 21.4 | -171.7 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | F796 | F796-S798 VanDerWaalsContact C-N 3.31Å; F796-S798 PolarHBondContact O-N 3.39Å |
| 799 | S | 74.7 | Confident | 81.5 | Confident | 9 Ų | 9 | 15.3 Ų | 15.3 | 6% | 0.063 | 8% | 0.08 | C | C | . | . | trans | -97.6 | 144.1 | -175.3 | -56.3 | 0 | 0 | 0 | 0 | 108.9 | D721 R724 A794 T797 L801 | D721-S799 PolarHBondContact OD1-OG 3.03Å; R724-S799 PolarHBondContact NH1-OG 3.42Å; A794-S799 PolarHBondContact O-N 3.04Å; T797-S799 PolarHBondContact O-N 3.5Å; T797-S799 PolarHBondContact O-OG 3.37Å; T797-S799 WeakPolarHBondContact OG1-CB 3.28Å; T797-S799 PolarHBondContact OG1-OG 3.24Å; S799-L801 PolarHBondContact O-N 3.37Å | ||
| 800 | R | 75.7 | Confident | 81.3 | Confident | 50 Ų | 50 | 17.4 Ų | 17.4 | 19% | 0.189 | 9% | 0.091 | C | C | . | . | trans | -75.9 | 130.1 | 178.9 | -64.6 | 175.2 | 176.3 | -147.8 | -23.7 | 109.5 | S437 S712 R713 E802 I803 | S437-R800 PolarHBondContact OG-NH1 3.48Å; S712-R800 PolarHBondContact O-NH2 3.4Å; R713-R800 VanDerWaalsContact O-CZ 3.25Å; R713-R800 PolarHBondContact O-NH1 3.25Å; R713-R800 PolarHBondContact O-NH2 3.46Å; R800-E802 HydrophobicContact CB-CB 4.4Å; R800-E802 PolarHBondContact O-N 2.98Å; R800-E802 VanDerWaalsContact O-N 3.11Å; R800-I803 HydrophobicContact CB-CD1 3.86Å; R800-I803 HydrophobicContact CB-CG1 3.98Å; R800-I803 HydrophobicContact CG-CD1 4.29Å; R800-I803 WeakPolarHBondContact O-CB 3.47Å; R800-I803 PolarHBondContact O-N 2.96Å | ||
| 801 | L | 78.1 | Confident | 81.1 | Confident | 22 Ų | 22 | 17.9 Ų | 17.9 | 12% | 0.115 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -54.6 | -32.6 | 172.7 | -168.7 | 60.4 | 0 | 0 | 0 | 112.3 | L790 A794 S799 I803 F804 Y805 Q857 | L790-L801 HydrophobicContact CB-CD1 4.45Å; L790-L801 HydrophobicContact CD2-CD1 3.92Å; L790-L801 HydrophobicContact CG-CD1 3.74Å; A794-L801 HydrophobicContact CB-CB 4.07Å; A794-L801 HydrophobicContact CB-CD1 3.91Å; S799-L801 PolarHBondContact O-N 3.37Å; L801-I803 VanDerWaalsContact C-N 3.32Å; L801-I803 PolarHBondContact O-N 2.76Å; L801-F804 PolarHBondContact O-N 3.27Å; L801-Y805 HydrophobicContact CB-CE2 4.36Å; L801-Y805 HydrophobicContact CD1-CE1 4.38Å; L801-Y805 HydrophobicContact CD1-CE2 4.21Å; L801-Y805 WeakPolarHBondContact CD1-OH 3.49Å; L801-Y805 HydrophobicContact CD2-CE2 3.86Å; L801-Y805 VanDerWaalsContact CD2-OH 3.22Å; L801-Y805 WeakPolarHBondContact CD2-OH 3.21Å; L801-Y805 HydrophobicContact CG-CD2 4.32Å; L801-Y805 HydrophobicContact CG-CE1 4.45Å; L801-Y805 HydrophobicContact CG-CE2 3.43Å; L801-Y805 VanDerWaalsContact CG-CE2 3.43Å; L801-Y805 VanDerWaalsContact CG-CZ 3.47Å; L801-Y805 VanDerWaalsContact CG-OH 3.26Å; L801-Y805 WeakPolarHBondContact CG-OH 3.48Å; L801-Y805 VanDerWaalsContact O-CD2 3.27Å; L801-Y805 WeakPolarHBondContact O-CD2 3.37Å; L801-Y805 PolarHBondContact O-N 3.33Å; L801-Q857 HydrophobicContact CD2-CG 4.22Å |
| 802 | E | 77 | Confident | 81.2 | Confident | 46 Ų | 46 | 17.8 Ų | 17.8 | 22% | 0.215 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.3 | -36.9 | 175.6 | -56.4 | 175.6 | -151.7 | 0 | 0 | 113.8 | M1 I2 R800 F804 Y805 W806 | M1-E802 WeakPolarHBondContact CA-OE1 3.46Å; M1-E802 PolarHBondContact N-OE1 2.98Å; I2-E802 HydrophobicContact CG1-CB 4.1Å; I2-E802 HydrophobicContact CG1-CG 4Å; I2-E802 VanDerWaalsContact N-CD 3.26Å; I2-E802 VanDerWaalsContact N-CG 3.28Å; I2-E802 PolarHBondContact N-OE1 2.86Å; R800-E802 HydrophobicContact CB-CB 4.4Å; R800-E802 PolarHBondContact O-N 2.98Å; R800-E802 VanDerWaalsContact O-N 3.11Å; E802-F804 VanDerWaalsContact C-N 3.32Å; E802-F804 PolarHBondContact O-N 3.25Å; E802-Y805 PolarHBondContact O-N 3.46Å; E802-W806 PolarHBondContact O-N 2.84Å |
| 803 | I | 79.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 17.7 Ų | 17.7 | 5% | 0.046 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 179.8 | -70.5 | 165.5 | 0 | 0 | 0 | 109.2 | L434 V717 D721 R800 L801 Y805 W806 L807 | L434-I803 HydrophobicContact CD2-CB 4.09Å; L434-I803 HydrophobicContact CD2-CG1 4.09Å; L434-I803 HydrophobicContact CD2-CG2 3.91Å; V717-I803 HydrophobicContact CG1-CG2 4.12Å; V717-I803 HydrophobicContact CG2-CD1 3.98Å; V717-I803 HydrophobicContact CG2-CG1 4.09Å; V717-I803 HydrophobicContact CG2-CG2 3.95Å; D721-I803 HydrophobicContact CB-CG2 4.19Å; R800-I803 HydrophobicContact CB-CD1 3.86Å; R800-I803 HydrophobicContact CB-CG1 3.98Å; R800-I803 HydrophobicContact CG-CD1 4.29Å; R800-I803 WeakPolarHBondContact O-CB 3.47Å; R800-I803 PolarHBondContact O-N 2.96Å; L801-I803 VanDerWaalsContact C-N 3.32Å; L801-I803 PolarHBondContact O-N 2.76Å; I803-Y805 VanDerWaalsContact C-N 3.32Å; I803-Y805 PolarHBondContact O-N 3.15Å; I803-W806 PolarHBondContact O-N 3.27Å; I803-L807 HydrophobicContact CG2-CD1 3.78Å; I803-L807 HydrophobicContact CG2-CG 4.49Å; I803-L807 WeakPolarHBondContact O-CB 3.2Å; I803-L807 WeakPolarHBondContact O-CD1 3.45Å; I803-L807 VanDerWaalsContact O-CG 3.24Å; I803-L807 WeakPolarHBondContact O-CG 2.96Å; I803-L807 PolarHBondContact O-N 3.21Å |
| 804 | F | 81.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.9 | -61.4 | -62.1 | 0 | 0 | 0 | 112.1 | D721 R724 A725 L790 A794 L801 E802 L807 V808 | D721-F804 HydrophobicContact CB-CE1 4.22Å; R724-F804 HydrophobicContact CB-CD1 4.36Å; R724-F804 HydrophobicContact CB-CE1 3.57Å; R724-F804 HydrophobicContact CB-CZ 4.29Å; A725-F804 HydrophobicContact CB-CD1 4.08Å; L790-F804 HydrophobicContact CD1-CB 3.95Å; L790-F804 HydrophobicContact CD1-CD1 4.11Å; L790-F804 HydrophobicContact CD1-CD2 3.78Å; L790-F804 HydrophobicContact CD1-CE2 4.33Å; L790-F804 HydrophobicContact CD1-CG 3.68Å; L790-F804 HydrophobicContact CD2-CB 3.78Å; L790-F804 HydrophobicContact CD2-CG 4.38Å; L790-F804 HydrophobicContact CG-CB 4.26Å; L790-F804 HydrophobicContact CG-CD2 4.22Å; L790-F804 HydrophobicContact CG-CG 4.32Å; A794-F804 HydrophobicContact CB-CD2 4.38Å; A794-F804 HydrophobicContact CB-CE2 4.01Å; L801-F804 PolarHBondContact O-N 3.27Å; E802-F804 VanDerWaalsContact C-N 3.32Å; E802-F804 PolarHBondContact O-N 3.25Å; F804-L807 PolarHBondContact O-N 3.33Å; F804-V808 WeakPolarHBondContact O-CG2 3.33Å; F804-V808 PolarHBondContact O-N 3.5Å |
| 805 | Y | 81.2 | Confident | 82.1 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.7 | -42.3 | 178.3 | -60.8 | -38.1 | 0 | 0 | 0 | 113.2 | I2 L790 L801 E802 I803 L807 V808 V809 S853 | I2-Y805 HydrophobicContact CD1-CD2 3.78Å; I2-Y805 HydrophobicContact CD1-CG 4.13Å; I2-Y805 HydrophobicContact CG1-CD2 4.18Å; L790-Y805 HydrophobicContact CD2-CD1 4.27Å; L790-Y805 HydrophobicContact CD2-CE1 3.69Å; L801-Y805 HydrophobicContact CB-CE2 4.36Å; L801-Y805 HydrophobicContact CD1-CE1 4.38Å; L801-Y805 HydrophobicContact CD1-CE2 4.21Å; L801-Y805 WeakPolarHBondContact CD1-OH 3.49Å; L801-Y805 HydrophobicContact CD2-CE2 3.86Å; L801-Y805 VanDerWaalsContact CD2-OH 3.22Å; L801-Y805 WeakPolarHBondContact CD2-OH 3.21Å; L801-Y805 HydrophobicContact CG-CD2 4.32Å; L801-Y805 HydrophobicContact CG-CE1 4.45Å; L801-Y805 HydrophobicContact CG-CE2 3.43Å; L801-Y805 VanDerWaalsContact CG-CE2 3.43Å; L801-Y805 VanDerWaalsContact CG-CZ 3.47Å; L801-Y805 VanDerWaalsContact CG-OH 3.26Å; L801-Y805 WeakPolarHBondContact CG-OH 3.48Å; L801-Y805 VanDerWaalsContact O-CD2 3.27Å; L801-Y805 WeakPolarHBondContact O-CD2 3.37Å; L801-Y805 PolarHBondContact O-N 3.33Å; E802-Y805 PolarHBondContact O-N 3.46Å; I803-Y805 VanDerWaalsContact C-N 3.32Å; I803-Y805 PolarHBondContact O-N 3.15Å; Y805-L807 VanDerWaalsContact C-N 3.25Å; Y805-L807 PolarHBondContact O-N 3.01Å; Y805-V808 WeakPolarHBondContact O-CB 3.34Å; Y805-V808 PolarHBondContact O-N 3.33Å; Y805-V808 VanDerWaalsContact O-N 3.15Å; Y805-V809 VanDerWaalsContact O-CG2 3.29Å; Y805-V809 WeakPolarHBondContact O-CG2 3.32Å; Y805-V809 PolarHBondContact O-N 3.37Å; Y805-S853 WeakPolarHBondContact CE1-OG 3.29Å; Y805-S853 WeakPolarHBondContact OH-CB 3.33Å; Y805-S853 PolarHBondContact OH-OG 3.26Å |
| 806 | W | 82.4 | Confident | 82.8 | Confident | 14 Ų | 14 | 20.1 Ų | 20.1 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.7 | -33.9 | 174.3 | -73.9 | 126.4 | 0 | 0 | 0 | 112.2 | I2 W426 V430 I433 L434 E802 I803 V809 I810 | I2-W806 HydrophobicContact CG2-CH2 4.23Å; I2-W806 HydrophobicContact CG2-CZ2 3.54Å; W426-W806 HydrophobicContact CH2-CZ3 4.46Å; W426-W806 HydrophobicContact CZ2-CZ3 4.02Å; V430-W806 HydrophobicContact CB-CE3 4.2Å; V430-W806 HydrophobicContact CG1-CB 3.73Å; V430-W806 HydrophobicContact CG1-CD2 3.98Å; V430-W806 HydrophobicContact CG1-CE3 3.52Å; V430-W806 HydrophobicContact CG1-CG 4.11Å; V430-W806 HydrophobicContact CG1-CZ3 4.39Å; V430-W806 HydrophobicContact CG2-CE3 3.75Å; V430-W806 HydrophobicContact CG2-CZ3 3.79Å; I433-W806 HydrophobicContact CD1-CH2 3.92Å; I433-W806 HydrophobicContact CD1-CZ2 3.73Å; I433-W806 HydrophobicContact CD1-CZ3 4.47Å; I433-W806 HydrophobicContact CG2-CZ2 4.35Å; L434-W806 HydrophobicContact CD1-CB 4.2Å; L434-W806 HydrophobicContact CD2-CB 3.62Å; L434-W806 HydrophobicContact CD2-CG 4.32Å; L434-W806 HydrophobicContact CG-CB 3.88Å; E802-W806 PolarHBondContact O-N 2.84Å; I803-W806 PolarHBondContact O-N 3.27Å; W806-V809 HydrophobicContact CE3-CB 4.38Å; W806-V809 HydrophobicContact CE3-CG2 4.12Å; W806-V809 HydrophobicContact CZ3-CG2 4.5Å; W806-V809 WeakPolarHBondContact O-CB 3.43Å; W806-V809 PolarHBondContact O-N 3.21Å; W806-I810 WeakPolarHBondContact O-CG1 3.27Å; W806-I810 PolarHBondContact O-N 3.17Å |
| 807 | L | 82.3 | Confident | 83.4 | Confident | 27 Ų | 27 | 20.3 Ų | 20.3 | 14% | 0.141 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 172.7 | -70.5 | 165.6 | 0 | 0 | 0 | 112.3 | L434 A725 I803 F804 Y805 I810 T811 | L434-L807 HydrophobicContact CD1-CD2 3.91Å; L434-L807 HydrophobicContact CD1-CG 4.16Å; A725-L807 HydrophobicContact CB-CB 3.45Å; A725-L807 VanDerWaalsContact CB-CB 3.45Å; A725-L807 HydrophobicContact CB-CD1 3.5Å; A725-L807 HydrophobicContact CB-CG 4.09Å; I803-L807 HydrophobicContact CG2-CD1 3.78Å; I803-L807 HydrophobicContact CG2-CG 4.49Å; I803-L807 WeakPolarHBondContact O-CB 3.2Å; I803-L807 WeakPolarHBondContact O-CD1 3.45Å; I803-L807 VanDerWaalsContact O-CG 3.24Å; I803-L807 WeakPolarHBondContact O-CG 2.96Å; I803-L807 PolarHBondContact O-N 3.21Å; F804-L807 PolarHBondContact O-N 3.33Å; Y805-L807 VanDerWaalsContact C-N 3.25Å; Y805-L807 PolarHBondContact O-N 3.01Å; L807-I810 HydrophobicContact CD2-CD1 4.37Å; L807-I810 PolarHBondContact O-N 3.37Å; L807-T811 PolarHBondContact O-N 3Å; L807-T811 PolarHBondContact O-OG1 3.12Å |
| 808 | V | 84.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 173.3 | 174 | 0 | 0 | 0 | 0 | 111.1 | F728 V729 L732 F804 Y805 I810 T811 G812 V849 | F728-V808 HydrophobicContact CD1-CG2 3.48Å; F728-V808 VanDerWaalsContact CD1-CG2 3.48Å; F728-V808 HydrophobicContact CE1-CG2 3.51Å; V729-V808 HydrophobicContact CG2-CB 4.23Å; V729-V808 HydrophobicContact CG2-CG1 4.31Å; V729-V808 HydrophobicContact CG2-CG2 3.66Å; L732-V808 HydrophobicContact CD1-CG1 4.5Å; F804-V808 WeakPolarHBondContact O-CG2 3.33Å; F804-V808 PolarHBondContact O-N 3.5Å; Y805-V808 WeakPolarHBondContact O-CB 3.34Å; Y805-V808 PolarHBondContact O-N 3.33Å; Y805-V808 VanDerWaalsContact O-N 3.15Å; V808-I810 VanDerWaalsContact C-N 3.33Å; V808-I810 PolarHBondContact O-N 2.79Å; V808-T811 WeakPolarHBondContact CA-OG1 3.48Å; V808-T811 PolarHBondContact O-N 3.47Å; V808-T811 PolarHBondContact O-OG1 3.02Å; V808-G812 PolarHBondContact O-N 3.49Å; V808-V849 HydrophobicContact CG1-CG1 4.27Å |
| 809 | V | 87 | Confident | 85.3 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 172.6 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | V430 Y805 W806 T811 G812 D813 V846 I850 | V430-V809 HydrophobicContact CG2-CG1 4.13Å; Y805-V809 VanDerWaalsContact O-CG2 3.29Å; Y805-V809 WeakPolarHBondContact O-CG2 3.32Å; Y805-V809 PolarHBondContact O-N 3.37Å; W806-V809 HydrophobicContact CE3-CB 4.38Å; W806-V809 HydrophobicContact CE3-CG2 4.12Å; W806-V809 HydrophobicContact CZ3-CG2 4.5Å; W806-V809 WeakPolarHBondContact O-CB 3.43Å; W806-V809 PolarHBondContact O-N 3.21Å; V809-T811 VanDerWaalsContact C-N 3.34Å; V809-T811 PolarHBondContact O-N 2.64Å; V809-G812 PolarHBondContact O-N 3.27Å; V809-D813 VanDerWaalsContact CG1-OD2 3.25Å; V809-D813 WeakPolarHBondContact CG1-OD2 3.5Å; V809-D813 WeakPolarHBondContact O-CB 3.37Å; V809-D813 PolarHBondContact O-N 3.36Å; V809-V846 HydrophobicContact CB-CG1 4.05Å; V809-V846 HydrophobicContact CG1-CG1 4.26Å; V809-V846 HydrophobicContact CG2-CG1 3.48Å; V809-V846 VanDerWaalsContact CG2-CG1 3.48Å; V809-I850 HydrophobicContact CG2-CD1 4.46Å |
| 810 | I | 87.1 | Confident | 86.2 | Confident | 44 Ų | 44 | 18.3 Ų | 18.3 | 23% | 0.226 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.3 | -47.8 | 178.2 | -71.5 | 166.3 | 0 | 0 | 0 | 111.6 | L427 V430 L434 W806 L807 V808 F814 | L427-I810 HydrophobicContact CD2-CB 4.05Å; L427-I810 HydrophobicContact CD2-CG1 3.91Å; L427-I810 HydrophobicContact CD2-CG2 4.09Å; V430-I810 HydrophobicContact CB-CG1 4.37Å; V430-I810 HydrophobicContact CG1-CD1 3.91Å; V430-I810 HydrophobicContact CG1-CG1 3.76Å; L434-I810 HydrophobicContact CD1-CD1 3.59Å; W806-I810 WeakPolarHBondContact O-CG1 3.27Å; W806-I810 PolarHBondContact O-N 3.17Å; L807-I810 HydrophobicContact CD2-CD1 4.37Å; L807-I810 PolarHBondContact O-N 3.37Å; V808-I810 VanDerWaalsContact C-N 3.33Å; V808-I810 PolarHBondContact O-N 2.79Å; I810-F814 PolarHBondContact O-N 3.13Å |
| 811 | T | 86.1 | Confident | 86.9 | Confident | 9 Ų | 9 | 21.4 Ų | 21.4 | 6% | 0.055 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 178.9 | 51 | 0 | 0 | 0 | 0 | 111.9 | I513 L726 V729 L807 V808 V809 F814 Q815 | I513-T811 HydrophobicContact CD1-CG2 3.96Å; I513-T811 HydrophobicContact CG1-CG2 4.1Å; L726-T811 HydrophobicContact CD2-CG2 4.07Å; V729-T811 WeakPolarHBondContact CG2-OG1 3.29Å; L807-T811 PolarHBondContact O-N 3Å; L807-T811 PolarHBondContact O-OG1 3.12Å; V808-T811 WeakPolarHBondContact CA-OG1 3.48Å; V808-T811 PolarHBondContact O-N 3.47Å; V808-T811 PolarHBondContact O-OG1 3.02Å; V809-T811 VanDerWaalsContact C-N 3.34Å; V809-T811 PolarHBondContact O-N 2.64Å; T811-F814 PolarHBondContact O-N 3.05Å; T811-Q815 VanDerWaalsContact O-CG 3.29Å; T811-Q815 WeakPolarHBondContact O-CG 3.2Å; T811-Q815 PolarHBondContact O-N 2.86Å; T811-Q815 VanDerWaalsContact O-N 3.14Å |
| 812 | G | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V808 V809 Q815 A816 | V808-G812 PolarHBondContact O-N 3.49Å; V809-G812 PolarHBondContact O-N 3.27Å; G812-Q815 WeakPolarHBondContact O-CB 3.37Å; G812-Q815 PolarHBondContact O-N 2.63Å; G812-A816 WeakPolarHBondContact O-CB 3.46Å; G812-A816 PolarHBondContact O-N 2.72Å |
| 813 | D | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 176.3 | -78.1 | -29.3 | 0 | 0 | 0 | 112.1 | H14 F423 W426 L427 V809 Q815 A816 M817 | H14-D813 IonicContact CD2-OD1 3.61Å; H14-D813 IonicContact CE1-OD1 2.58Å; H14-D813 IonicContact NE2-OD1 3.9Å; H14-D813 PolarHBondContact NE2-OD1 2.99Å; H14-D813 IonicContact NE2-OD2 2.93Å; F423-D813 HydrophobicContact CD1-CB 4.05Å; F423-D813 HydrophobicContact CE1-CB 4.43Å; W426-D813 PolarHBondContact NE1-OD2 3.43Å; L427-D813 HydrophobicContact CD2-CB 3.79Å; L427-D813 HydrophobicContact CG-CB 4.28Å; V809-D813 VanDerWaalsContact CG1-OD2 3.25Å; V809-D813 WeakPolarHBondContact CG1-OD2 3.5Å; V809-D813 WeakPolarHBondContact O-CB 3.37Å; V809-D813 PolarHBondContact O-N 3.36Å; D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 2.89Å; D813-A816 PolarHBondContact O-N 3.36Å; D813-M817 WeakPolarHBondContact O-CG 3.41Å; D813-M817 PolarHBondContact O-N 2.7Å |
| 814 | F | 90.9 | Very high | 88.4 | Confident | 71 Ų | 71 | 27.1 Ų | 27.1 | 31% | 0.311 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.3 | -174 | -100.3 | 0 | 0 | 0 | 111.4 | I513 E514 I810 T811 M817 Q818 | I513-F814 HydrophobicContact CG2-CD1 3.52Å; I513-F814 HydrophobicContact CG2-CE1 3.94Å; E514-F814 VanDerWaalsContact OE1-CE1 3.29Å; E514-F814 WeakPolarHBondContact OE1-CE1 3.33Å; I810-F814 PolarHBondContact O-N 3.13Å; T811-F814 PolarHBondContact O-N 3.05Å; F814-M817 PolarHBondContact O-N 3.17Å; F814-Q818 PolarHBondContact O-N 3.31Å |
| 815 | Q | 90.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.7 | -60.8 | 178.6 | -69.8 | 0 | 0 | 111.5 | V517 F733 T811 G812 D813 M817 Q818 F819 A842 | V517-Q815 HydrophobicContact CG2-CB 4.19Å; V517-Q815 HydrophobicContact CG2-CG 3.64Å; F733-Q815 VanDerWaalsContact CZ-OE1 3.32Å; T811-Q815 VanDerWaalsContact O-CG 3.29Å; T811-Q815 WeakPolarHBondContact O-CG 3.2Å; T811-Q815 PolarHBondContact O-N 2.86Å; T811-Q815 VanDerWaalsContact O-N 3.14Å; G812-Q815 WeakPolarHBondContact O-CB 3.37Å; G812-Q815 PolarHBondContact O-N 2.63Å; D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 2.89Å; Q815-M817 VanDerWaalsContact C-N 3.33Å; Q815-M817 PolarHBondContact O-N 3.43Å; Q815-Q818 PolarHBondContact O-N 2.83Å; Q815-F819 HydrophobicContact CB-CD2 4.47Å; Q815-F819 HydrophobicContact CB-CE2 4.2Å; Q815-F819 WeakPolarHBondContact O-CD2 3.47Å; Q815-F819 PolarHBondContact O-N 3.43Å; Q815-A842 HydrophobicContact CB-CB 4.17Å |
| 816 | A | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F423 G812 D813 Q818 F819 L820 Y839 A842 V843 | F423-A816 HydrophobicContact CE1-CB 3.98Å; F423-A816 HydrophobicContact CZ-CB 3.91Å; G812-A816 WeakPolarHBondContact O-CB 3.46Å; G812-A816 PolarHBondContact O-N 2.72Å; D813-A816 PolarHBondContact O-N 3.36Å; A816-Q818 PolarHBondContact O-N 3.45Å; A816-F819 PolarHBondContact O-N 2.98Å; A816-L820 WeakPolarHBondContact O-CB 3.33Å; A816-L820 PolarHBondContact O-N 3.33Å; A816-Y839 HydrophobicContact CB-CD2 4.47Å; A816-Y839 HydrophobicContact CB-CE2 4.19Å; A816-Y839 WeakPolarHBondContact O-CD2 3.46Å; A816-Y839 WeakPolarHBondContact O-CE2 3.46Å; A816-A842 HydrophobicContact CB-CB 4.07Å; A816-V843 HydrophobicContact CB-CG2 3.64Å |
| 817 | M | 93 | Very high | 88 | Confident | 29 Ų | 29 | 33.9 Ų | 33.9 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 173.8 | -76.7 | 178.6 | 49.6 | 0 | 0 | 112.4 | I420 F423 L427 D813 F814 Q815 L820 L821 | I420-M817 HydrophobicContact CG2-CE 4.03Å; F423-M817 HydrophobicContact CB-CG 3.39Å; F423-M817 HydrophobicContact CB-SD 3.43Å; F423-M817 WeakPolarHBondContact CB-SD 3.47Å; F423-M817 HydrophobicContact CD1-CG 4.18Å; F423-M817 HydrophobicContact CD2-CG 3.74Å; F423-M817 HydrophobicContact CG-CG 3.53Å; F423-M817 HydrophobicContact CG-SD 4.25Å; L427-M817 HydrophobicContact CD1-SD 4.19Å; D813-M817 WeakPolarHBondContact O-CG 3.41Å; D813-M817 PolarHBondContact O-N 2.7Å; F814-M817 PolarHBondContact O-N 3.17Å; Q815-M817 VanDerWaalsContact C-N 3.33Å; Q815-M817 PolarHBondContact O-N 3.43Å; M817-L820 WeakPolarHBondContact O-CB 3.15Å; M817-L820 PolarHBondContact O-N 2.8Å; M817-L821 PolarHBondContact O-N 2.94Å |
| 818 | Q | 93.3 | Very high | 87.5 | Confident | 41 Ų | 41 | 33 Ų | 33 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 177.2 | -67.5 | -165.4 | 14.2 | 0 | 0 | 111.6 | E514 F814 Q815 A816 L820 L821 L822 | E514-Q818 VanDerWaalsContact CD-NE2 3.3Å; E514-Q818 PolarHBondContact OE1-NE2 3.43Å; E514-Q818 PolarHBondContact OE2-NE2 2.98Å; E514-Q818 PolarHBondContact OE2-OE1 3Å; F814-Q818 PolarHBondContact O-N 3.31Å; Q815-Q818 PolarHBondContact O-N 2.83Å; A816-Q818 PolarHBondContact O-N 3.45Å; Q818-L820 VanDerWaalsContact C-N 3.29Å; Q818-L820 PolarHBondContact O-N 3.35Å; Q818-L821 WeakPolarHBondContact O-CB 3.2Å; Q818-L821 PolarHBondContact O-N 3.31Å; Q818-L821 VanDerWaalsContact O-N 3.1Å; Q818-L822 WeakPolarHBondContact O-CG 3.05Å; Q818-L822 PolarHBondContact O-N 3.39Å; Q818-L822 VanDerWaalsContact O-N 3.08Å |
| 819 | F | 93.3 | Very high | 86.9 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -29.9 | 177.6 | -68.4 | -49.2 | 0 | 0 | 0 | 113.4 | V517 F520 F521 Q815 A816 L821 L822 F823 H838 Y839 A842 | V517-F819 HydrophobicContact CG1-CE1 4.02Å; V517-F819 HydrophobicContact CG1-CZ 3.86Å; F520-F819 HydrophobicContact CB-CE1 4.19Å; F520-F819 HydrophobicContact CB-CZ 3.76Å; F520-F819 HydrophobicContact CD1-CE2 4.31Å; F520-F819 HydrophobicContact CD1-CZ 4.05Å; F520-F819 AromaticContact CD2-CE2 3.75Å; F520-F819 HydrophobicContact CD2-CE2 3.75Å; F520-F819 AromaticContact CD2-CZ 3.35Å; F520-F819 HydrophobicContact CD2-CZ 3.35Å; F520-F819 HydrophobicContact CE1-CE2 4.29Å; F520-F819 HydrophobicContact CE1-CZ 4.47Å; F520-F819 AromaticContact CE2-CE2 3.66Å; F520-F819 HydrophobicContact CE2-CE2 3.66Å; F520-F819 AromaticContact CE2-CZ 3.79Å; F520-F819 HydrophobicContact CE2-CZ 3.79Å; F520-F819 HydrophobicContact CG-CE1 4.31Å; F520-F819 HydrophobicContact CG-CE2 4.05Å; F520-F819 AromaticContact CG-CZ 3.46Å; F520-F819 HydrophobicContact CG-CZ 3.46Å; F520-F819 VanDerWaalsContact CG-CZ 3.46Å; F520-F819 AromaticContact CZ-CE2 3.97Å; F520-F819 HydrophobicContact CZ-CE2 3.97Å; F520-F819 HydrophobicContact CZ-CZ 4.35Å; F521-F819 AromaticContact CE2-CE1 3.7Å; F521-F819 HydrophobicContact CE2-CE1 3.7Å; F521-F819 HydrophobicContact CZ-CD1 4.31Å; F521-F819 AromaticContact CZ-CE1 3.8Å; F521-F819 HydrophobicContact CZ-CE1 3.8Å; Q815-F819 HydrophobicContact CB-CD2 4.47Å; Q815-F819 HydrophobicContact CB-CE2 4.2Å; Q815-F819 WeakPolarHBondContact O-CD2 3.47Å; Q815-F819 PolarHBondContact O-N 3.43Å; A816-F819 PolarHBondContact O-N 2.98Å; F819-L821 VanDerWaalsContact C-N 3.32Å; F819-L822 CarbonylContact O-C 3.52Å; F819-L822 PolarHBondContact O-N 2.85Å; F819-F823 PolarHBondContact O-N 3.46Å; F819-H838 HydrophobicContact CD1-CB 3.67Å; F819-H838 HydrophobicContact CD2-CB 4.21Å; F819-H838 WeakPolarHBondContact CD2-O 3.16Å; F819-H838 HydrophobicContact CE1-CB 3.83Å; F819-H838 HydrophobicContact CE2-CB 4.35Å; F819-H838 HydrophobicContact CG-CB 3.89Å; F819-H838 HydrophobicContact CZ-CB 4.19Å; F819-Y839 HydrophobicContact CB-CD2 4.19Å; F819-A842 HydrophobicContact CD2-CB 3.74Å; F819-A842 HydrophobicContact CE2-CB 4.08Å |
| 820 | L | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 171.3 | -178.3 | 67.9 | 0 | 0 | 0 | 111.9 | A21 Y25 T416 I419 I420 A816 M817 Q818 L822 F823 Y839 | A21-L820 HydrophobicContact CB-CD1 3.71Å; Y25-L820 HydrophobicContact CE2-CD1 4.29Å; T416-L820 HydrophobicContact CG2-CD2 4.48Å; I419-L820 HydrophobicContact CB-CD2 4.01Å; I419-L820 HydrophobicContact CG2-CD2 3.4Å; I419-L820 VanDerWaalsContact CG2-CD2 3.4Å; I420-L820 HydrophobicContact CG1-CD2 4.06Å; A816-L820 WeakPolarHBondContact O-CB 3.33Å; A816-L820 PolarHBondContact O-N 3.33Å; M817-L820 WeakPolarHBondContact O-CB 3.15Å; M817-L820 PolarHBondContact O-N 2.8Å; Q818-L820 VanDerWaalsContact C-N 3.29Å; Q818-L820 PolarHBondContact O-N 3.35Å; L820-L822 VanDerWaalsContact C-N 3.29Å; L820-F823 WeakPolarHBondContact O-CB 3.41Å; L820-F823 PolarHBondContact O-N 3.25Å; L820-Y839 HydrophobicContact CB-CD2 4.19Å; L820-Y839 HydrophobicContact CB-CE2 3.87Å; L820-Y839 HydrophobicContact CD1-CE2 4.29Å |
| 821 | L | 91.9 | Very high | 85.7 | Confident | 116 Ų | 116 | 40.9 Ų | 40.9 | 61% | 0.607 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -72 | -24.9 | 175.9 | -69.9 | 173.1 | 0 | 0 | 0 | 112.7 | I420 M817 Q818 F819 | I420-L821 HydrophobicContact CD1-CD2 3.57Å; I420-L821 HydrophobicContact CD1-CG 4.19Å; M817-L821 PolarHBondContact O-N 2.94Å; Q818-L821 WeakPolarHBondContact O-CB 3.2Å; Q818-L821 PolarHBondContact O-N 3.31Å; Q818-L821 VanDerWaalsContact O-N 3.1Å; F819-L821 VanDerWaalsContact C-N 3.32Å |
| 822 | L | 91.2 | Very high | 85.4 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 6.4 | 175.5 | -61.9 | 175.2 | 0 | 0 | 0 | 113.2 | F521 Q818 F819 L820 K824 | F521-L822 HydrophobicContact CE2-CD1 4.24Å; F521-L822 HydrophobicContact CZ-CD1 3.8Å; Q818-L822 WeakPolarHBondContact O-CG 3.05Å; Q818-L822 PolarHBondContact O-N 3.39Å; Q818-L822 VanDerWaalsContact O-N 3.08Å; F819-L822 CarbonylContact O-C 3.52Å; F819-L822 PolarHBondContact O-N 2.85Å; L820-L822 VanDerWaalsContact C-N 3.29Å; L822-K824 PolarHBondContact O-N 2.92Å |
| 823 | F | 88.2 | Confident | 84.9 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | trans | -69.5 | 126.5 | -174.1 | -153 | -97.9 | 0 | 0 | 0 | 111 | Y25 Y26 F819 L820 I836 Y839 | Y25-F823 AromaticContact CD1-CD1 3.86Å; Y25-F823 HydrophobicContact CD1-CD1 3.86Å; Y25-F823 HydrophobicContact CD2-CD1 4.11Å; Y25-F823 HydrophobicContact CE1-CB 4.38Å; Y25-F823 HydrophobicContact CE1-CD1 4.5Å; Y25-F823 AromaticContact CG-CD1 3.65Å; Y25-F823 HydrophobicContact CG-CD1 3.65Å; Y25-F823 HydrophobicContact CG-CE1 4.16Å; Y26-F823 HydrophobicContact CD2-CE1 4.17Å; Y26-F823 HydrophobicContact CE2-CD1 4.45Å; Y26-F823 AromaticContact CE2-CE1 3.3Å; Y26-F823 HydrophobicContact CE2-CE1 3.3Å; Y26-F823 AromaticContact CE2-CZ 3.69Å; Y26-F823 HydrophobicContact CE2-CZ 3.69Å; Y26-F823 AromaticContact CZ-CE1 3.74Å; F819-F823 PolarHBondContact O-N 3.46Å; L820-F823 WeakPolarHBondContact O-CB 3.41Å; L820-F823 PolarHBondContact O-N 3.25Å; F823-I836 HydrophobicContact CE1-CG1 4.5Å; F823-I836 HydrophobicContact CE2-CG1 4.31Å; F823-I836 HydrophobicContact CZ-CG1 3.85Å; F823-Y839 HydrophobicContact CD2-CD1 4.41Å; F823-Y839 HydrophobicContact CD2-CG 4.14Å; F823-Y839 AromaticContact CE2-CD1 3.86Å; F823-Y839 HydrophobicContact CE2-CD1 3.86Å; F823-Y839 AromaticContact CE2-CG 3.97Å; F823-Y839 HydrophobicContact CE2-CG 3.97Å | ||
| 824 | K | 85.8 | Confident | 84.4 | Confident | 88 Ų | 88 | 42.5 Ų | 42.5 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | trans | -108.3 | 130.5 | -173.8 | -69 | -176.2 | 171.6 | -175.8 | 0 | 111.5 | Y26 L822 E831 S835 | Y26-K824 PolarHBondContact OH-O 3.01Å; L822-K824 PolarHBondContact O-N 2.92Å; K824-E831 HydrophobicContact CD-CB 4.15Å; K824-E831 IonicContact NZ-OE2 3.04Å; K824-E831 PolarHBondContact NZ-OE2 3.46Å; K824-S835 PolarHBondContact N-OG 3.07Å; K824-S835 VanDerWaalsContact N-OG 3.11Å; K824-S835 PolarHBondContact O-OG 2.85Å | ||
| 825 | D | 81.4 | Confident | 84.2 | Confident | 42 Ų | 42 | 39.6 Ų | 39.6 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -114.2 | 7 | 172.2 | 68.8 | -32.1 | 0 | 0 | 0 | 113.3 | Y25 Y26 Q409 R412 | Y25-D825 HydrophobicContact CD1-CB 4.47Å; Y26-D825 HydrophobicContact CE1-CB 4.19Å; Q409-D825 PolarHBondContact NE2-OD2 3.44Å; R412-D825 IonicContact CZ-OD2 3.98Å; R412-D825 IonicContact NH1-OD1 3.52Å; R412-D825 IonicContact NH1-OD2 2.9Å; R412-D825 PolarHBondContact NH1-OD2 3.16Å; R412-D825 IonicContact NH2-OD2 3.6Å; R412-D825 PolarHBondContact NH2-OD2 3.02Å |
| 826 | T | 77.8 | Confident | 84 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 57% | 0.571 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -140.8 | 153 | 178.2 | 56.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 827 | G | 76.6 | Confident | 83.7 | Confident | 32 Ų | 32 | 43 Ų | 43 | 33% | 0.33 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 116.8 | -162.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 828 | S | 73 | Confident | 83.5 | Confident | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | trans | -70.7 | 156.5 | 174.4 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | L830 E831 I832 | S828-L830 PolarHBondContact O-N 2.91Å; S828-E831 PolarHBondContact O-N 3.09Å; S828-E831 VanDerWaalsContact O-N 3.13Å; S828-E831 WeakPolarHBondContact OG-CG 3.38Å; S828-E831 PolarHBondContact OG-N 3.37Å; S828-I832 WeakPolarHBondContact O-CG1 3.37Å; S828-I832 PolarHBondContact O-N 3.07Å | ||
| 829 | W | 71.1 | Confident | 83.4 | Confident | 55 Ų | 55 | 40 Ų | 40 | 21% | 0.208 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.9 | -33.5 | 172 | -91.7 | 135.5 | 0 | 0 | 0 | 111.8 | P103 V121 V124 W128 I832 G833 | P103-W829 HydrophobicContact CB-CB 4.15Å; P103-W829 HydrophobicContact CB-CG 3.62Å; P103-W829 HydrophobicContact CG-CD2 4.4Å; P103-W829 HydrophobicContact CG-CG 3.95Å; V121-W829 HydrophobicContact CB-CH2 4.16Å; V121-W829 HydrophobicContact CG1-CH2 3.8Å; V121-W829 HydrophobicContact CG1-CZ3 3.88Å; V121-W829 HydrophobicContact CG2-CH2 3.91Å; V121-W829 HydrophobicContact CG2-CZ3 4.31Å; V124-W829 HydrophobicContact CB-CH2 4.26Å; V124-W829 HydrophobicContact CG1-CH2 4.49Å; V124-W829 HydrophobicContact CG2-CH2 3.62Å; V124-W829 HydrophobicContact CG2-CZ2 3.8Å; W128-W829 HydrophobicContact CH2-CZ2 4.39Å; W829-I832 HydrophobicContact CE3-CG2 4.49Å; W829-G833 WeakPolarHBondContact O-CA 3.32Å; W829-G833 PolarHBondContact O-N 3.22Å |
| 830 | L | 71.3 | Confident | 83.2 | Confident | 83 Ų | 83 | 41.7 Ų | 41.7 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -50.8 | 176.3 | -174.8 | 63.7 | 0 | 0 | 0 | 111 | S747 A749 S828 G833 E834 | S747-L830 WeakPolarHBondContact OG-CD1 3.36Å; A749-L830 HydrophobicContact CB-CD1 4Å; S828-L830 PolarHBondContact O-N 2.91Å; L830-G833 PolarHBondContact O-N 3.05Å; L830-E834 HydrophobicContact CD1-CG 4.48Å; L830-E834 WeakPolarHBondContact CG-OE1 3.29Å; L830-E834 VanDerWaalsContact O-CB 3.29Å; L830-E834 WeakPolarHBondContact O-CB 3.37Å; L830-E834 VanDerWaalsContact O-CG 3.23Å; L830-E834 WeakPolarHBondContact O-CG 3.38Å; L830-E834 PolarHBondContact O-N 3.49Å |
| 831 | E | 77.2 | Confident | 82.9 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 36% | 0.36 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 179.3 | -74.1 | -179.4 | -143.8 | 0 | 0 | 112.6 | K824 S828 S835 | K824-E831 HydrophobicContact CD-CB 4.15Å; K824-E831 IonicContact NZ-OE2 3.04Å; K824-E831 PolarHBondContact NZ-OE2 3.46Å; S828-E831 PolarHBondContact O-N 3.09Å; S828-E831 VanDerWaalsContact O-N 3.13Å; S828-E831 WeakPolarHBondContact OG-CG 3.38Å; S828-E831 PolarHBondContact OG-N 3.37Å; E831-S835 WeakPolarHBondContact O-CB 3.19Å; E831-S835 PolarHBondContact O-N 3.16Å |
| 832 | I | 79.3 | Confident | 82.7 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -51.5 | 176.5 | -67.5 | 173.8 | 0 | 0 | 0 | 108.9 | Y26 S828 W829 E834 S835 I836 | Y26-I832 HydrophobicContact CE1-CG2 3.83Å; Y26-I832 VanDerWaalsContact OH-CG2 3.27Å; Y26-I832 WeakPolarHBondContact OH-CG2 3.28Å; S828-I832 WeakPolarHBondContact O-CG1 3.37Å; S828-I832 PolarHBondContact O-N 3.07Å; W829-I832 HydrophobicContact CE3-CG2 4.49Å; I832-E834 PolarHBondContact O-N 3.02Å; I832-S835 PolarHBondContact O-N 3.02Å; I832-S835 PolarHBondContact O-OG 2.92Å; I832-I836 HydrophobicContact CG2-CD1 4.06Å; I832-I836 WeakPolarHBondContact O-CG1 3.22Å; I832-I836 PolarHBondContact O-N 3.11Å |
| 833 | G | 79.9 | Confident | 82.6 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 19% | 0.186 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | W829 L830 I836 C837 | W829-G833 WeakPolarHBondContact O-CA 3.32Å; W829-G833 PolarHBondContact O-N 3.22Å; L830-G833 PolarHBondContact O-N 3.05Å; G833-I836 WeakPolarHBondContact O-CB 3.39Å; G833-I836 PolarHBondContact O-N 3.41Å; G833-C837 WeakPolarHBondContact O-CB 3.48Å; G833-C837 PolarHBondContact O-N 3.24Å; G833-C837 PolarHBondContact O-SG 3.44Å |
| 834 | E | 80.1 | Confident | 82.5 | Confident | 18 Ų | 18 | 34.3 Ų | 34.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 174.8 | -79.7 | 174.4 | -169.8 | 0 | 0 | 111.5 | S746 S747 L830 I832 I836 C837 H838 | S746-E834 VanDerWaalsContact O-CD 3.31Å; S746-E834 PolarHBondContact OG-OE2 3.2Å; S747-E834 WeakPolarHBondContact CA-OE1 3.31Å; S747-E834 WeakPolarHBondContact CB-OE1 3.39Å; S747-E834 PolarHBondContact N-OE1 3.36Å; S747-E834 PolarHBondContact OG-OE1 2.83Å; L830-E834 HydrophobicContact CD1-CG 4.48Å; L830-E834 WeakPolarHBondContact CG-OE1 3.29Å; L830-E834 VanDerWaalsContact O-CB 3.29Å; L830-E834 WeakPolarHBondContact O-CB 3.37Å; L830-E834 VanDerWaalsContact O-CG 3.23Å; L830-E834 WeakPolarHBondContact O-CG 3.38Å; L830-E834 PolarHBondContact O-N 3.49Å; I832-E834 PolarHBondContact O-N 3.02Å; E834-I836 VanDerWaalsContact C-N 3.29Å; E834-I836 PolarHBondContact O-N 2.92Å; E834-C837 PolarHBondContact O-N 3.42Å; E834-C837 VanDerWaalsContact O-N 3.16Å; E834-H838 PolarHBondContact O-CD2 3.3Å; E834-H838 PolarHBondContact O-N 2.93Å |
| 835 | S | 88.1 | Confident | 82.3 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 178.4 | 79.6 | 0 | 0 | 0 | 0 | 112.2 | K824 E831 I832 Y839 | K824-S835 PolarHBondContact N-OG 3.07Å; K824-S835 VanDerWaalsContact N-OG 3.11Å; K824-S835 PolarHBondContact O-OG 2.85Å; E831-S835 WeakPolarHBondContact O-CB 3.19Å; E831-S835 PolarHBondContact O-N 3.16Å; I832-S835 PolarHBondContact O-N 3.02Å; I832-S835 PolarHBondContact O-OG 2.92Å; S835-Y839 PolarHBondContact O-N 2.97Å |
| 836 | I | 86.4 | Confident | 82.3 | Confident | 33 Ų | 33 | 28.5 Ų | 28.5 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -50.9 | 172.5 | -67.1 | 166.5 | 0 | 0 | 0 | 110.2 | F22 Y26 F823 I832 G833 E834 H838 Y839 V840 | F22-I836 HydrophobicContact CE1-CD1 4.31Å; F22-I836 HydrophobicContact CE1-CG1 4.19Å; F22-I836 HydrophobicContact CE1-CG2 3.6Å; F22-I836 HydrophobicContact CZ-CG2 3.54Å; Y26-I836 HydrophobicContact CE2-CD1 3.78Å; Y26-I836 HydrophobicContact CE2-CG1 3.85Å; Y26-I836 VanDerWaalsContact OH-CD1 3.28Å; Y26-I836 WeakPolarHBondContact OH-CD1 2.78Å; Y26-I836 WeakPolarHBondContact OH-CG1 3.28Å; F823-I836 HydrophobicContact CE1-CG1 4.5Å; F823-I836 HydrophobicContact CE2-CG1 4.31Å; F823-I836 HydrophobicContact CZ-CG1 3.85Å; I832-I836 HydrophobicContact CG2-CD1 4.06Å; I832-I836 WeakPolarHBondContact O-CG1 3.22Å; I832-I836 PolarHBondContact O-N 3.11Å; G833-I836 WeakPolarHBondContact O-CB 3.39Å; G833-I836 PolarHBondContact O-N 3.41Å; E834-I836 VanDerWaalsContact C-N 3.29Å; E834-I836 PolarHBondContact O-N 2.92Å; I836-H838 VanDerWaalsContact C-N 3.34Å; I836-H838 PolarHBondContact O-N 3.35Å; I836-Y839 PolarHBondContact O-N 3.09Å; I836-V840 HydrophobicContact CG2-CG2 3.84Å; I836-V840 WeakPolarHBondContact O-CB 3.26Å; I836-V840 WeakPolarHBondContact O-CG2 3.27Å; I836-V840 PolarHBondContact O-N 3Å |
| 837 | C | 85.8 | Confident | 82.3 | Confident | 39 Ų | 39 | 25.6 Ų | 25.6 | 26% | 0.264 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.8 | -44.2 | -178 | -77.1 | 0 | 0 | 0 | 0 | 111.8 | L748 G833 E834 V840 I841 | L748-C837 HydrophobicContact CB-CB 4.49Å; L748-C837 HydrophobicContact CD2-CB 4.08Å; G833-C837 WeakPolarHBondContact O-CB 3.48Å; G833-C837 PolarHBondContact O-N 3.24Å; G833-C837 PolarHBondContact O-SG 3.44Å; E834-C837 PolarHBondContact O-N 3.42Å; E834-C837 VanDerWaalsContact O-N 3.16Å; C837-V840 PolarHBondContact O-N 3.11Å; C837-I841 WeakPolarHBondContact O-CB 3.25Å; C837-I841 VanDerWaalsContact O-CG1 3.23Å; C837-I841 WeakPolarHBondContact O-CG1 3.34Å; C837-I841 PolarHBondContact O-N 2.97Å |
| 838 | H | 88.5 | Confident | 82.6 | Confident | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 178.1 | -63.9 | 166.3 | 0 | 0 | 0 | 111.7 | F520 F521 F819 E834 I836 A842 | F520-H838 HydrophobicContact CD1-CB 4.31Å; F520-H838 AromaticContact CD1-CD2 3.72Å; F521-H838 AromaticContact CE1-CE1 3.97Å; F521-H838 AromaticContact CE1-ND1 3.91Å; F819-H838 HydrophobicContact CD1-CB 3.67Å; F819-H838 HydrophobicContact CD2-CB 4.21Å; F819-H838 WeakPolarHBondContact CD2-O 3.16Å; F819-H838 HydrophobicContact CE1-CB 3.83Å; F819-H838 HydrophobicContact CE2-CB 4.35Å; F819-H838 HydrophobicContact CG-CB 3.89Å; F819-H838 HydrophobicContact CZ-CB 4.19Å; E834-H838 PolarHBondContact O-CD2 3.3Å; E834-H838 PolarHBondContact O-N 2.93Å; I836-H838 VanDerWaalsContact C-N 3.34Å; I836-H838 PolarHBondContact O-N 3.35Å; H838-A842 PolarHBondContact O-N 3.5Å; H838-A842 VanDerWaalsContact O-N 3.07Å |
| 839 | Y | 91.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 177.8 | -178.6 | -110.4 | 0 | 0 | 0 | 112.3 | L17 L18 A21 F423 A816 F819 L820 F823 S835 I836 I841 A842 V843 | L17-Y839 PolarHBondContact O-OH 3.36Å; L18-Y839 HydrophobicContact CD1-CD1 4.04Å; L18-Y839 HydrophobicContact CD1-CE1 3.85Å; A21-Y839 HydrophobicContact CB-CD1 4.08Å; A21-Y839 HydrophobicContact CB-CE1 3.35Å; F423-Y839 HydrophobicContact CZ-CE2 4.42Å; A816-Y839 HydrophobicContact CB-CD2 4.47Å; A816-Y839 HydrophobicContact CB-CE2 4.19Å; A816-Y839 WeakPolarHBondContact O-CD2 3.46Å; A816-Y839 WeakPolarHBondContact O-CE2 3.46Å; F819-Y839 HydrophobicContact CB-CD2 4.19Å; L820-Y839 HydrophobicContact CB-CD2 4.19Å; L820-Y839 HydrophobicContact CB-CE2 3.87Å; L820-Y839 HydrophobicContact CD1-CE2 4.29Å; F823-Y839 HydrophobicContact CD2-CD1 4.41Å; F823-Y839 HydrophobicContact CD2-CG 4.14Å; F823-Y839 AromaticContact CE2-CD1 3.86Å; F823-Y839 HydrophobicContact CE2-CD1 3.86Å; F823-Y839 AromaticContact CE2-CG 3.97Å; F823-Y839 HydrophobicContact CE2-CG 3.97Å; S835-Y839 PolarHBondContact O-N 2.97Å; I836-Y839 PolarHBondContact O-N 3.09Å; Y839-I841 VanDerWaalsContact C-N 3.34Å; Y839-I841 PolarHBondContact O-N 2.69Å; Y839-A842 PolarHBondContact O-N 2.83Å; Y839-V843 HydrophobicContact CD2-CG2 4.42Å; Y839-V843 HydrophobicContact CE1-CG2 4.33Å; Y839-V843 HydrophobicContact CE2-CG2 4.03Å; Y839-V843 WeakPolarHBondContact O-CG2 3.09Å; Y839-V843 PolarHBondContact O-N 2.84Å; Y839-V843 VanDerWaalsContact O-N 3.11Å |
| 840 | V | 89.6 | Confident | 83.3 | Confident | 39 Ų | 39 | 25.1 Ų | 25.1 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 179.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L18 F22 I836 C837 V843 T844 | L18-V840 HydrophobicContact CD1-CG2 3.98Å; F22-V840 HydrophobicContact CE2-CG2 4.07Å; F22-V840 HydrophobicContact CZ-CG2 3.75Å; I836-V840 HydrophobicContact CG2-CG2 3.84Å; I836-V840 WeakPolarHBondContact O-CB 3.26Å; I836-V840 WeakPolarHBondContact O-CG2 3.27Å; I836-V840 PolarHBondContact O-N 3Å; C837-V840 PolarHBondContact O-N 3.11Å; V840-V843 PolarHBondContact O-N 3.28Å; V840-T844 HydrophobicContact CG1-CG2 3.94Å; V840-T844 VanDerWaalsContact O-CB 3.27Å; V840-T844 WeakPolarHBondContact O-CB 3.37Å; V840-T844 VanDerWaalsContact O-CG2 3.25Å; V840-T844 WeakPolarHBondContact O-CG2 3.28Å; V840-T844 PolarHBondContact O-N 3.24Å; V840-T844 PolarHBondContact O-OG1 2.9Å |
| 841 | I | 86.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 26.4 Ų | 26.4 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 178.7 | -72.2 | 168.3 | 0 | 0 | 0 | 110.8 | F520 F736 L748 C837 Y839 V843 T844 M845 | F520-I841 HydrophobicContact CE1-CB 3.97Å; F520-I841 HydrophobicContact CE1-CG2 3.65Å; F520-I841 HydrophobicContact CZ-CB 4.48Å; F520-I841 HydrophobicContact CZ-CG2 3.85Å; F736-I841 HydrophobicContact CE1-CD1 4.27Å; F736-I841 HydrophobicContact CZ-CD1 3.93Å; L748-I841 HydrophobicContact CD1-CD1 3.49Å; L748-I841 VanDerWaalsContact CD1-CD1 3.49Å; L748-I841 HydrophobicContact CD2-CD1 3.32Å; L748-I841 HydrophobicContact CG-CD1 4.01Å; C837-I841 WeakPolarHBondContact O-CB 3.25Å; C837-I841 VanDerWaalsContact O-CG1 3.23Å; C837-I841 WeakPolarHBondContact O-CG1 3.34Å; C837-I841 PolarHBondContact O-N 2.97Å; Y839-I841 VanDerWaalsContact C-N 3.34Å; Y839-I841 PolarHBondContact O-N 2.69Å; I841-V843 VanDerWaalsContact C-N 3.29Å; I841-V843 PolarHBondContact O-N 2.68Å; I841-T844 PolarHBondContact O-N 3.46Å; I841-T844 PolarHBondContact O-OG1 3.18Å; I841-M845 WeakPolarHBondContact O-CB 3.38Å; I841-M845 PolarHBondContact O-N 3.37Å |
| 842 | A | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q815 A816 F819 H838 Y839 | Q815-A842 HydrophobicContact CB-CB 4.17Å; A816-A842 HydrophobicContact CB-CB 4.07Å; F819-A842 HydrophobicContact CD2-CB 3.74Å; F819-A842 HydrophobicContact CE2-CB 4.08Å; H838-A842 PolarHBondContact O-N 3.5Å; H838-A842 VanDerWaalsContact O-N 3.07Å; Y839-A842 PolarHBondContact O-N 2.83Å |
| 843 | V | 89.5 | Confident | 84 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.4 | -44 | 178.8 | 178 | 0 | 0 | 0 | 0 | 112.2 | H14 L18 A816 Y839 V840 I841 | H14-V843 HydrophobicContact CB-CG1 3.85Å; L18-V843 HydrophobicContact CB-CG1 4.28Å; L18-V843 HydrophobicContact CD1-CB 4.45Å; L18-V843 HydrophobicContact CD1-CG1 4.48Å; A816-V843 HydrophobicContact CB-CG2 3.64Å; Y839-V843 HydrophobicContact CD2-CG2 4.42Å; Y839-V843 HydrophobicContact CE1-CG2 4.33Å; Y839-V843 HydrophobicContact CE2-CG2 4.03Å; Y839-V843 WeakPolarHBondContact O-CG2 3.09Å; Y839-V843 PolarHBondContact O-N 2.84Å; Y839-V843 VanDerWaalsContact O-N 3.11Å; V840-V843 PolarHBondContact O-N 3.28Å; I841-V843 VanDerWaalsContact C-N 3.29Å; I841-V843 PolarHBondContact O-N 2.68Å |
| 844 | T | 84.5 | Confident | 84.1 | Confident | 43 Ų | 43 | 26.3 Ų | 26.3 | 26% | 0.264 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -78.1 | -30.1 | -175.2 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | V840 I841 V846 V847 I848 | V840-T844 HydrophobicContact CG1-CG2 3.94Å; V840-T844 VanDerWaalsContact O-CB 3.27Å; V840-T844 WeakPolarHBondContact O-CB 3.37Å; V840-T844 VanDerWaalsContact O-CG2 3.25Å; V840-T844 WeakPolarHBondContact O-CG2 3.28Å; V840-T844 PolarHBondContact O-N 3.24Å; V840-T844 PolarHBondContact O-OG1 2.9Å; I841-T844 PolarHBondContact O-N 3.46Å; I841-T844 PolarHBondContact O-OG1 3.18Å; T844-V846 PolarHBondContact O-N 3.26Å; T844-V847 WeakPolarHBondContact O-CB 3.42Å; T844-V847 PolarHBondContact O-N 3.45Å; T844-I848 WeakPolarHBondContact O-CG1 3.29Å; T844-I848 PolarHBondContact O-N 3.28Å |
| 845 | M | 82.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.8 | -42.2 | 175 | 176.6 | -172.8 | 68.4 | 0 | 0 | 110.7 | F733 I841 V847 I848 V849 | F733-M845 HydrophobicContact CD2-SD 4.11Å; F733-M845 HydrophobicContact CE2-CE 3.58Å; F733-M845 HydrophobicContact CE2-SD 3.38Å; F733-M845 WeakPolarHBondContact CE2-SD 3.44Å; F733-M845 HydrophobicContact CZ-CE 3.97Å; F733-M845 HydrophobicContact CZ-SD 3.96Å; I841-M845 WeakPolarHBondContact O-CB 3.38Å; I841-M845 PolarHBondContact O-N 3.37Å; M845-V847 VanDerWaalsContact C-N 3.32Å; M845-V847 PolarHBondContact O-N 3.3Å; M845-I848 PolarHBondContact O-N 3.12Å; M845-V849 HydrophobicContact CG-CG2 4.22Å; M845-V849 WeakPolarHBondContact O-CB 3.09Å; M845-V849 WeakPolarHBondContact O-CG2 3.47Å; M845-V849 PolarHBondContact O-N 3.46Å |
| 846 | V | 80.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -47.3 | 175.8 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | V809 T844 I850 | V809-V846 HydrophobicContact CB-CG1 4.05Å; V809-V846 HydrophobicContact CG1-CG1 4.26Å; V809-V846 HydrophobicContact CG2-CG1 3.48Å; V809-V846 VanDerWaalsContact CG2-CG1 3.48Å; T844-V846 PolarHBondContact O-N 3.26Å; V846-I850 HydrophobicContact CG1-CD1 4.48Å; V846-I850 WeakPolarHBondContact O-CG1 3.13Å; V846-I850 PolarHBondContact O-N 2.93Å |
| 847 | V | 79.7 | Confident | 84 | Confident | 32 Ų | 32 | 27 Ų | 27 | 19% | 0.194 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -45.5 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | L11 T844 M845 V849 I850 L851 | L11-V847 HydrophobicContact CD1-CB 4.31Å; L11-V847 HydrophobicContact CD1-CG1 3.56Å; L11-V847 HydrophobicContact CD1-CG2 3.72Å; T844-V847 WeakPolarHBondContact O-CB 3.42Å; T844-V847 PolarHBondContact O-N 3.45Å; M845-V847 VanDerWaalsContact C-N 3.32Å; M845-V847 PolarHBondContact O-N 3.3Å; V847-V849 PolarHBondContact O-N 3.45Å; V847-I850 PolarHBondContact O-N 3.46Å; V847-L851 HydrophobicContact CG1-CD1 4.24Å; V847-L851 PolarHBondContact O-N 3.48Å; V847-L851 VanDerWaalsContact O-N 3.1Å |
| 848 | I | 81 | Confident | 84 | Confident | 56 Ų | 56 | 29.8 Ų | 29.8 | 29% | 0.287 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.6 | -41.8 | -177.4 | -66.3 | 166.4 | 0 | 0 | 0 | 110.6 | W783 T844 M845 I850 L851 V852 | W783-I848 HydrophobicContact CE3-CG2 3.67Å; W783-I848 HydrophobicContact CZ3-CB 4.2Å; W783-I848 HydrophobicContact CZ3-CD1 4.09Å; W783-I848 HydrophobicContact CZ3-CG2 3.59Å; T844-I848 WeakPolarHBondContact O-CG1 3.29Å; T844-I848 PolarHBondContact O-N 3.28Å; M845-I848 PolarHBondContact O-N 3.12Å; I848-I850 VanDerWaalsContact C-N 3.26Å; I848-I850 PolarHBondContact O-N 3.38Å; I848-L851 PolarHBondContact O-N 3.01Å; I848-L851 VanDerWaalsContact O-N 3.1Å; I848-V852 HydrophobicContact CG2-CG2 3.74Å; I848-V852 WeakPolarHBondContact O-CB 3.48Å; I848-V852 VanDerWaalsContact O-CG2 3.28Å; I848-V852 WeakPolarHBondContact O-CG2 3.41Å; I848-V852 PolarHBondContact O-N 3.28Å |
| 849 | V | 81 | Confident | 83.7 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | F728 L732 V808 M845 V847 S853 | F728-V849 HydrophobicContact CE1-CG1 4.03Å; F728-V849 HydrophobicContact CZ-CG1 4.07Å; L732-V849 HydrophobicContact CD1-CB 4.49Å; L732-V849 HydrophobicContact CD1-CG1 4.18Å; L732-V849 HydrophobicContact CD1-CG2 3.46Å; L732-V849 VanDerWaalsContact CD1-CG2 3.46Å; L732-V849 HydrophobicContact CD2-CG2 4.17Å; L732-V849 HydrophobicContact CG-CG2 4.44Å; V808-V849 HydrophobicContact CG1-CG1 4.27Å; M845-V849 HydrophobicContact CG-CG2 4.22Å; M845-V849 WeakPolarHBondContact O-CB 3.09Å; M845-V849 WeakPolarHBondContact O-CG2 3.47Å; M845-V849 PolarHBondContact O-N 3.46Å; V847-V849 PolarHBondContact O-N 3.45Å; V849-S853 WeakPolarHBondContact O-CB 3.48Å; V849-S853 PolarHBondContact O-N 3.41Å; V849-S853 PolarHBondContact O-OG 2.82Å |
| 850 | I | 78.6 | Confident | 83.3 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.9 | -66.1 | 167 | 0 | 0 | 0 | 110.9 | A7 V809 V846 V847 I848 S853 Y854 | A7-I850 HydrophobicContact CB-CG2 4.36Å; V809-I850 HydrophobicContact CG2-CD1 4.46Å; V846-I850 HydrophobicContact CG1-CD1 4.48Å; V846-I850 WeakPolarHBondContact O-CG1 3.13Å; V846-I850 PolarHBondContact O-N 2.93Å; V847-I850 PolarHBondContact O-N 3.46Å; I848-I850 VanDerWaalsContact C-N 3.26Å; I848-I850 PolarHBondContact O-N 3.38Å; I850-S853 VanDerWaalsContact O-CB 3.32Å; I850-S853 WeakPolarHBondContact O-CB 3.48Å; I850-S853 PolarHBondContact O-N 3.21Å; I850-Y854 HydrophobicContact CG2-CD2 4.42Å; I850-Y854 HydrophobicContact CG2-CE2 3.95Å; I850-Y854 WeakPolarHBondContact O-CD2 3.22Å; I850-Y854 PolarHBondContact O-N 3.3Å |
| 851 | L | 81.3 | Confident | 82.8 | Confident | 110 Ų | 110 | 32.1 Ų | 32.1 | 58% | 0.576 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -66.2 | -48.2 | 178.5 | -67.8 | 173.9 | 0 | 0 | 0 | 112.6 | V847 I848 S853 Y854 A855 | V847-L851 HydrophobicContact CG1-CD1 4.24Å; V847-L851 PolarHBondContact O-N 3.48Å; V847-L851 VanDerWaalsContact O-N 3.1Å; I848-L851 PolarHBondContact O-N 3.01Å; I848-L851 VanDerWaalsContact O-N 3.1Å; L851-S853 PolarHBondContact O-N 3.44Å; L851-Y854 WeakPolarHBondContact O-CB 3.32Å; L851-Y854 PolarHBondContact O-N 3.28Å; L851-Y854 VanDerWaalsContact O-N 3.11Å; L851-A855 PolarHBondContact O-N 2.89Å |
| 852 | V | 83.3 | Confident | 82.2 | Confident | 18 Ų | 18 | 32.6 Ų | 32.6 | 11% | 0.109 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -29.5 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | W783 L784 C787 I848 A855 A856 | W783-V852 HydrophobicContact CB-CG1 4.4Å; L784-V852 VanDerWaalsContact CA-CG1 3.48Å; L784-V852 HydrophobicContact CB-CG1 3.99Å; L784-V852 HydrophobicContact CD1-CG1 4.01Å; C787-V852 HydrophobicContact CB-CG1 4.2Å; I848-V852 HydrophobicContact CG2-CG2 3.74Å; I848-V852 WeakPolarHBondContact O-CB 3.48Å; I848-V852 VanDerWaalsContact O-CG2 3.28Å; I848-V852 WeakPolarHBondContact O-CG2 3.41Å; I848-V852 PolarHBondContact O-N 3.28Å; V852-A855 CarbonylContact O-C 3.58Å; V852-A855 WeakPolarHBondContact O-CB 3.41Å; V852-A855 PolarHBondContact O-N 2.94Å; V852-A856 WeakPolarHBondContact O-CB 3.34Å; V852-A856 PolarHBondContact O-N 3.19Å |
| 853 | S | 78.8 | Confident | 81 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 174.7 | -72 | 0 | 0 | 0 | 0 | 114 | Y805 V849 I850 L851 A855 A856 Q857 | Y805-S853 WeakPolarHBondContact CE1-OG 3.29Å; Y805-S853 WeakPolarHBondContact OH-CB 3.33Å; Y805-S853 PolarHBondContact OH-OG 3.26Å; V849-S853 WeakPolarHBondContact O-CB 3.48Å; V849-S853 PolarHBondContact O-N 3.41Å; V849-S853 PolarHBondContact O-OG 2.82Å; I850-S853 VanDerWaalsContact O-CB 3.32Å; I850-S853 WeakPolarHBondContact O-CB 3.48Å; I850-S853 PolarHBondContact O-N 3.21Å; L851-S853 PolarHBondContact O-N 3.44Å; S853-A855 VanDerWaalsContact C-N 3.32Å; S853-A856 PolarHBondContact O-N 2.83Å; S853-Q857 WeakPolarHBondContact O-CG 3.14Å; S853-Q857 PolarHBondContact O-N 3.03Å |
| 854 | Y | 80.3 | Confident | 79.4 | Confident | 80 Ų | 80 | 40.2 Ų | 40.2 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 170.7 | -76.6 | -76.8 | 0 | 0 | 0 | 110.9 | I850 L851 A856 Q857 L858 | I850-Y854 HydrophobicContact CG2-CD2 4.42Å; I850-Y854 HydrophobicContact CG2-CE2 3.95Å; I850-Y854 WeakPolarHBondContact O-CD2 3.22Å; I850-Y854 PolarHBondContact O-N 3.3Å; L851-Y854 WeakPolarHBondContact O-CB 3.32Å; L851-Y854 PolarHBondContact O-N 3.28Å; L851-Y854 VanDerWaalsContact O-N 3.11Å; Y854-A856 VanDerWaalsContact C-N 3.35Å; Y854-A856 PolarHBondContact O-N 3.38Å; Y854-Q857 PolarHBondContact O-N 2.9Å; Y854-L858 PolarHBondContact O-N 3.42Å; Y854-L858 VanDerWaalsContact O-N 3.09Å |
| 855 | A | 84.1 | Confident | 77.6 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L784 L851 V852 S853 Q857 L858 F859 | L784-A855 HydrophobicContact CD1-CB 4.12Å; L851-A855 PolarHBondContact O-N 2.89Å; V852-A855 CarbonylContact O-C 3.58Å; V852-A855 WeakPolarHBondContact O-CB 3.41Å; V852-A855 PolarHBondContact O-N 2.94Å; S853-A855 VanDerWaalsContact C-N 3.32Å; A855-Q857 VanDerWaalsContact C-N 3.33Å; A855-Q857 PolarHBondContact O-N 3.32Å; A855-L858 WeakPolarHBondContact O-CB 3.49Å; A855-L858 PolarHBondContact O-N 3.11Å; A855-L858 VanDerWaalsContact O-N 3.11Å; A855-F859 WeakPolarHBondContact O-CD2 3.42Å; A855-F859 PolarHBondContact O-N 3.3Å |
| 856 | A | 86.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L784 C787 V852 S853 Y854 F859 T860 | L784-A856 HydrophobicContact CD1-CB 4.1Å; C787-A856 HydrophobicContact CB-CB 3.44Å; C787-A856 VanDerWaalsContact CB-CB 3.44Å; V852-A856 WeakPolarHBondContact O-CB 3.34Å; V852-A856 PolarHBondContact O-N 3.19Å; S853-A856 PolarHBondContact O-N 2.83Å; Y854-A856 VanDerWaalsContact C-N 3.35Å; Y854-A856 PolarHBondContact O-N 3.38Å; A856-F859 PolarHBondContact O-N 3.42Å; A856-T860 WeakPolarHBondContact O-CB 3.45Å; A856-T860 WeakPolarHBondContact O-CG2 3.47Å; A856-T860 PolarHBondContact O-N 3.28Å; A856-T860 PolarHBondContact O-OG1 3.32Å |
| 857 | Q | 82.9 | Confident | 73.5 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 173.5 | -72.4 | 177.4 | 44.4 | 0 | 0 | 111.8 | L801 S853 Y854 A855 T860 R861 | L801-Q857 HydrophobicContact CD2-CG 4.22Å; S853-Q857 WeakPolarHBondContact O-CG 3.14Å; S853-Q857 PolarHBondContact O-N 3.03Å; Y854-Q857 PolarHBondContact O-N 2.9Å; A855-Q857 VanDerWaalsContact C-N 3.33Å; A855-Q857 PolarHBondContact O-N 3.32Å; Q857-T860 WeakPolarHBondContact CA-OG1 3.23Å; Q857-T860 PolarHBondContact O-OG1 2.99Å; Q857-R861 VanDerWaalsContact O-CB 3.32Å; Q857-R861 WeakPolarHBondContact O-CB 3.32Å; Q857-R861 WeakPolarHBondContact O-CG 3.41Å; Q857-R861 PolarHBondContact O-N 3.33Å |
| 858 | L | 84.9 | Confident | 71.7 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -51 | 174 | -173.9 | 69.8 | 0 | 0 | 0 | 110.6 | F644 Y854 A855 T860 R861 S862 | F644-L858 HydrophobicContact CE1-CD2 4.48Å; F644-L858 HydrophobicContact CE1-CG 3.95Å; F644-L858 HydrophobicContact CZ-CD2 4.22Å; F644-L858 HydrophobicContact CZ-CG 4.15Å; Y854-L858 PolarHBondContact O-N 3.42Å; Y854-L858 VanDerWaalsContact O-N 3.09Å; A855-L858 WeakPolarHBondContact O-CB 3.49Å; A855-L858 PolarHBondContact O-N 3.11Å; A855-L858 VanDerWaalsContact O-N 3.11Å; L858-T860 VanDerWaalsContact C-N 3.31Å; L858-T860 PolarHBondContact O-N 3.24Å; L858-R861 PolarHBondContact O-N 3.38Å; L858-S862 WeakPolarHBondContact O-CB 3.4Å; L858-S862 PolarHBondContact O-N 3.42Å; L858-S862 PolarHBondContact O-OG 3.28Å |
| 859 | F | 83.4 | Confident | 69.5 | Low | 16 Ų | 16 | 63.2 Ų | 63.2 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.5 | -41 | -179.4 | -89.4 | -120.3 | 0 | 0 | 0 | 112.2 | F640 P643 F644 R653 I657 L784 A855 A856 | F640-F859 HydrophobicContact CB-CZ 4.08Å; F640-F859 HydrophobicContact CD1-CE1 4.21Å; F640-F859 AromaticContact CD1-CZ 3.81Å; F640-F859 HydrophobicContact CD1-CZ 3.81Å; F640-F859 HydrophobicContact CG-CZ 4.45Å; F640-F859 WeakPolarHBondContact O-CZ 3.42Å; P643-F859 HydrophobicContact CB-CD1 4.13Å; P643-F859 HydrophobicContact CG-CD1 3.92Å; P643-F859 HydrophobicContact CG-CE1 3.99Å; F644-F859 HydrophobicContact CE1-CD2 4.35Å; F644-F859 HydrophobicContact CE2-CE2 4.16Å; F644-F859 HydrophobicContact CE2-CZ 4.33Å; F644-F859 AromaticContact CZ-CD2 3.68Å; F644-F859 HydrophobicContact CZ-CD2 3.68Å; F644-F859 AromaticContact CZ-CE2 3.69Å; F644-F859 HydrophobicContact CZ-CE2 3.69Å; F644-F859 HydrophobicContact CZ-CG 4.25Å; F644-F859 HydrophobicContact CZ-CZ 4.25Å; R653-F859 WeakPolarHBondContact CD-O 3.47Å; R653-F859 PolarHBondContact NE-O 3.25Å; R653-F859 VanDerWaalsContact NE-O 3.17Å; I657-F859 HydrophobicContact CD1-CB 4.18Å; I657-F859 HydrophobicContact CG1-CD1 4.38Å; L784-F859 HydrophobicContact CD2-CD1 4.22Å; L784-F859 HydrophobicContact CD2-CE1 4Å; L784-F859 HydrophobicContact CD2-CZ 4.23Å; A855-F859 WeakPolarHBondContact O-CD2 3.42Å; A855-F859 PolarHBondContact O-N 3.3Å; A856-F859 PolarHBondContact O-N 3.42Å |
| 860 | T | 82.3 | Confident | 67.2 | Low | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -77.1 | -43.9 | -178.3 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | R653 I657 F704 C788 A856 Q857 L858 | R653-T860 PolarHBondContact NE-O 3.24Å; I657-T860 HydrophobicContact CD1-CG2 4.3Å; F704-T860 HydrophobicContact CD1-CG2 4.4Å; F704-T860 HydrophobicContact CE1-CG2 3.96Å; F704-T860 HydrophobicContact CE2-CG2 4.14Å; F704-T860 HydrophobicContact CZ-CG2 3.82Å; C788-T860 HydrophobicContact CB-CG2 4.05Å; A856-T860 WeakPolarHBondContact O-CB 3.45Å; A856-T860 WeakPolarHBondContact O-CG2 3.47Å; A856-T860 PolarHBondContact O-N 3.28Å; A856-T860 PolarHBondContact O-OG1 3.32Å; Q857-T860 WeakPolarHBondContact CA-OG1 3.23Å; Q857-T860 PolarHBondContact O-OG1 2.99Å; L858-T860 VanDerWaalsContact C-N 3.31Å; L858-T860 PolarHBondContact O-N 3.24Å |
| 861 | R | 78.4 | Confident | 65.1 | Low | 80 Ų | 80 | 78.7 Ų | 78.7 | 30% | 0.302 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -96.6 | -31.7 | -166.1 | -58.4 | 176.9 | -169.6 | -135.3 | -7 | 115.1 | F704 R705 E707 Q857 L858 | F704-R861 HydrophobicContact CB-CG 4.47Å; R705-R861 PolarHBondContact NE-O 3.03Å; E707-R861 IonicContact OE1-NH2 3.61Å; E707-R861 IonicContact OE2-CZ 3.57Å; E707-R861 IonicContact OE2-NH1 3.38Å; E707-R861 PolarHBondContact OE2-NH1 2.84Å; E707-R861 IonicContact OE2-NH2 3.68Å; E707-R861 PolarHBondContact OE2-NH2 3.03Å; Q857-R861 VanDerWaalsContact O-CB 3.32Å; Q857-R861 WeakPolarHBondContact O-CB 3.32Å; Q857-R861 WeakPolarHBondContact O-CG 3.41Å; Q857-R861 PolarHBondContact O-N 3.33Å; L858-R861 PolarHBondContact O-N 3.38Å |
| 862 | S | 74 | Confident | 62.8 | Low | 34 Ų | 34 | 78.8 Ų | 78.8 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | trans | -81.9 | 156.2 | -171.9 | 69.7 | 0 | 0 | 0 | 0 | 113 | F644 R653 L858 | F644-S862 WeakPolarHBondContact CD1-OG 3.47Å; F644-S862 WeakPolarHBondContact CE1-OG 3.44Å; R653-S862 PolarHBondContact NH2-O 3.45Å; R653-S862 VanDerWaalsContact NH2-O 3.09Å; L858-S862 WeakPolarHBondContact O-CB 3.4Å; L858-S862 PolarHBondContact O-N 3.42Å; L858-S862 PolarHBondContact O-OG 3.28Å | ||
| 863 | K | 62.9 | Low | 60.2 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 27% | 0.27 | 42% | 0.417 | S | S | . | . | trans | -145.6 | 135.6 | 173.7 | -164 | -174.6 | 178.5 | -170.8 | 0 | 107.9 | F865 S867 | K863-F865 WeakPolarHBondContact CD-O 3.28Å; K863-F865 WeakPolarHBondContact CE-O 3.26Å; K863-S867 PolarHBondContact NZ-OG 3.5Å | ||
| 864 | V | 56.1 | Low | 58.2 | Low | 101 Ų | 101 | 90.9 Ų | 90.9 | 61% | 0.612 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -83.6 | -33.9 | 179 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | F644 L866 | F644-V864 HydrophobicContact CB-CG2 3.93Å; F644-V864 PolarHBondContact O-N 3.3Å; V864-L866 PolarHBondContact O-N 2.81Å |
| 865 | F | 46.8 | Very low | 55.9 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | trans | -90 | 109 | -177.3 | -80.9 | -82.6 | 0 | 0 | 0 | 113.1 | L645 K863 S867 | L645-F865 HydrophobicContact CD2-CD2 3.95Å; L645-F865 HydrophobicContact CD2-CE2 3.83Å; K863-F865 WeakPolarHBondContact CD-O 3.28Å; K863-F865 WeakPolarHBondContact CE-O 3.26Å; F865-S867 PolarHBondContact O-N 3.27Å | ||
| 866 | L | 38.6 | Very low | 53.5 | Low | 166 Ų | 166 | 100.9 Ų | 100.9 | 87% | 0.869 | 49% | 0.485 | S | S | * | . | trans | -60.5 | 74.6 | 163.8 | -79.4 | 149.7 | 0 | 0 | 0 | 110.8 | V864 | V864-L866 PolarHBondContact O-N 2.81Š| ||
| 867 | S | 39 | Very low | 51 | Low | 55 Ų | 55 | 105.1 Ų | 105.1 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | trans | -104.3 | 45.6 | 166.3 | 85.3 | 0 | 0 | 0 | 0 | 111.1 | K863 F865 N869 | K863-S867 PolarHBondContact NZ-OG 3.5Å; F865-S867 PolarHBondContact O-N 3.27Å; S867-N869 PolarHBondContact O-N 3.3Å | ||
| 868 | E | 41.1 | Very low | 48.6 | Very low | 120 Ų | 120 | 110.5 Ų | 110.5 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71 | -22.2 | 172.6 | -80.9 | -175 | 169.1 | 0 | 0 | 112.2 | Y870 | E868-Y870 PolarHBondContact O-N 3.45Å |
| 869 | N | 35.5 | Very low | 46 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 79% | 0.786 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -80.6 | -9.4 | -175.2 | -77.1 | -17.1 | 0 | 0 | 0 | 116.2 | S867 | S867-N869 PolarHBondContact O-N 3.3Å |
| 870 | Y | 33.2 | Very low | 43.6 | Very low | 196 Ų | 196 | 121.2 Ų | 121.2 | 77% | 0.769 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -98.1 | -29.1 | 179.8 | -119.1 | -88.2 | 0 | 0 | 0 | 114.4 | E868 | E868-Y870 PolarHBondContact O-N 3.45Å |
| 871 | F | 32.8 | Very low | 41.3 | Very low | 158 Ų | 158 | 126 Ų | 126 | 69% | 0.693 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -92.3 | -26.4 | -178.3 | -90 | -80.3 | 0 | 0 | 0 | 114.4 | K873 I874 R875 | F871-K873 PolarHBondContact O-N 3.49Å; F871-I874 PolarHBondContact O-N 3.35Å; F871-R875 PolarHBondContact O-N 3.39Å |
| 872 | L | 33.1 | Very low | 39 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 59% | 0.586 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.4 | -26 | 174.3 | -94.9 | 156 | 0 | 0 | 0 | 112.7 | R875 T876 | L872-R875 PolarHBondContact O-N 3.47Å; L872-T876 PolarHBondContact O-OG1 3.37Å |
| 873 | K | 30.5 | Very low | 36.9 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -76 | -21.5 | 178.4 | -136.3 | 173.6 | -174.3 | 178.6 | 0 | 113.9 | F871 T877 | F871-K873 PolarHBondContact O-N 3.49Å; K873-T877 PolarHBondContact O-OG1 2.82Å |
| 874 | I | 34.9 | Very low | 35.2 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 57% | 0.574 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -86.4 | -24.7 | 176.1 | -59.6 | 175.5 | 0 | 0 | 0 | 111.2 | F871 | F871-I874 PolarHBondContact O-N 3.35Å |
| 875 | R | 32.3 | Very low | 33.8 | Very low | 216 Ų | 216 | 144.6 Ų | 144.6 | 82% | 0.815 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -76.1 | -23.8 | 175.1 | -95.1 | -171.7 | -174.9 | 179.9 | 2.4 | 114.4 | F871 L872 | F871-R875 PolarHBondContact O-N 3.39Å; L872-R875 PolarHBondContact O-N 3.47Å |
| 876 | T | 35 | Very low | 33 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -92.6 | -1.5 | -179.7 | 54.3 | 0 | 0 | 0 | 0 | 114 | L872 | L872-T876 PolarHBondContact O-OG1 3.37Š|
| 877 | T | 32.7 | Very low | 32.7 | Very low | 90 Ų | 90 | 152.2 Ų | 152.2 | 55% | 0.552 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -111.3 | 103.6 | 176.7 | 40.9 | 0 | 0 | 0 | 0 | 110.3 | K873 | K873-T877 PolarHBondContact O-OG1 2.82Š|
| 878 | N | 33.4 | Very low | 32.4 | Very low | 151 Ų | 151 | 157.3 Ų | 157.3 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 76.2 | 58.8 | 160.3 | -57.8 | -14.5 | 0 | 0 | 0 | 119.4 | ||
| 879 | W | 30.9 | Very low | 31.9 | Very low | 246 Ų | 246 | 159.3 Ų | 159.3 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -128.1 | 112.4 | 148.7 | -129.5 | -73.2 | 0 | 0 | 0 | 111.9 | ||||
| 880 | P | 33.2 | Very low | 31.7 | Very low | 93 Ų | 93 | 160.1 Ų | 160.1 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | trans | -63.7 | 143 | 175.3 | -14.2 | 27.5 | 0 | 0 | 0 | 110.5 | H882 | P880-H882 PolarHBondContact O-N 3.01Š| ||
| 881 | A | 32.5 | Very low | 31.6 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -69.7 | 37.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 882 | H | 30.4 | Very low | 31.5 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -115.9 | 73.5 | -179.3 | -67.1 | -62.4 | 0 | 0 | 0 | 110.7 | P880 | P880-H882 PolarHBondContact O-N 3.01Š| ||
| 883 | A | 29.6 | Very low | 31.4 | Very low | 97 Ų | 97 | 161.1 Ų | 161.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -148.1 | 44.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 884 | E | 27.3 | Very low | 31.5 | Very low | 175 Ų | 175 | 160.9 Ų | 160.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -92.2 | 138.4 | 146 | -70.7 | -179.7 | 168.1 | 0 | 0 | 105.1 | ||||
| 885 | Y | 27.6 | Very low | 31.2 | Very low | 216 Ų | 216 | 165 Ų | 165 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | 86 | 80.4 | -164.5 | -58.1 | -81.5 | 0 | 0 | 0 | 115 | ||||
| 886 | Y | 29.5 | Very low | 31.1 | Very low | 307 Ų | 307 | 160.4 Ų | 160.4 | 100% | 1.204 | 81% | 0.809 | S | S | * | * | 179.1 | 0 | 115.9 | -101.2 | -75.3 | 0 | 0 | 0 | 110.8 |
Retrieved 886 of 886 residues in 1386.7 ms
(Link to these results)