| 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 | 75.4 | Confident | 60.6 | Low | 52 Ų | 52 | 20.8 Ų | 20.8 | 26% | 0.256 | 11% | 0.106 | S | C | . | . | 0 | 136.2 | 0 | -74.7 | -175.5 | 175 | 0 | 0 | 107.2 | Q386 A389 F390 Q424 A427 I428 L431 | M1-Q386 HydrophobicContact SD-CB 4.3Å; M1-Q386 HydrophobicContact SD-CG 3.68Å; M1-A389 HydrophobicContact CE-CB 4.14Å; M1-F390 HydrophobicContact SD-CE2 4.18Å; M1-F390 HydrophobicContact SD-CZ 3.98Å; M1-Q424 VanDerWaalsContact CB-OE1 3.29Å; M1-Q424 PolarHBondContact SD-NE2 2.96Å; M1-A427 HydrophobicContact CB-CB 4.25Å; M1-A427 HydrophobicContact CE-CB 4.37Å; M1-A427 HydrophobicContact CG-CB 3.42Å; M1-A427 VanDerWaalsContact CG-CB 3.42Å; M1-I428 HydrophobicContact CE-CB 4.39Å; M1-I428 HydrophobicContact CE-CG1 3.44Å; M1-I428 VanDerWaalsContact CE-CG1 3.44Å; M1-L431 HydrophobicContact CE-CD2 4.21Å | |||
| 2 | A | 56.5 | Low | 59.5 | Low | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -67.4 | 148.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V4 A423 V468 | A2-V4 PolarHBondContact O-N 3.04Å; A2-A423 HydrophobicContact CB-CB 4.47Å; A2-V468 HydrophobicContact CB-CG2 4.35Å | ||
| 3 | S | 66.2 | Low | 58.6 | Low | 39 Ų | 39 | 18.3 Ų | 18.3 | 27% | 0.273 | 9% | 0.094 | S | C | . | . | trans | -77.9 | 104 | 176.3 | 160.7 | 0 | 0 | 0 | 0 | 109.3 | H5 E6 E464 | S3-H5 PolarHBondContact O-N 2.94Å; S3-H5 PolarHBondContact OG-N 3.32Å; S3-E6 PolarHBondContact O-N 2.89Å; S3-E6 WeakPolarHBondContact OG-CG 3.43Å; S3-E6 PolarHBondContact OG-N 3.15Å; S3-E464 WeakPolarHBondContact CB-OE1 3.28Å; S3-E464 VanDerWaalsContact N-CD 3.29Å; S3-E464 PolarHBondContact N-OE1 3.15Å; S3-E464 PolarHBondContact N-OE2 3.46Å | ||
| 4 | V | 59 | Low | 57.4 | Low | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.8 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | A2 L379 Q382 S383 | A2-V4 PolarHBondContact O-N 3.04Å; V4-L379 HydrophobicContact CG1-CB 4.09Å; V4-L379 HydrophobicContact CG1-CD2 3.65Å; V4-L379 HydrophobicContact CG1-CG 4.48Å; V4-L379 VanDerWaalsContact CG1-O 3.26Å; V4-L379 WeakPolarHBondContact CG1-O 3.49Å; V4-Q382 HydrophobicContact CG1-CB 3.79Å; V4-Q382 HydrophobicContact CG2-CB 3.88Å; V4-S383 VanDerWaalsContact CG1-OG 3.29Å; V4-S383 WeakPolarHBondContact CG1-OG 3.39Å |
| 5 | H | 61.2 | Low | 56.3 | Low | 31 Ų | 31 | 25.1 Ų | 25.1 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -28.2 | 178.6 | -58.6 | -47.6 | 0 | 0 | 0 | 113.5 | S3 S7 L8 Y9 Y348 V349 | S3-H5 PolarHBondContact O-N 2.94Å; S3-H5 PolarHBondContact OG-N 3.32Å; H5-S7 PolarHBondContact O-N 3.39Å; H5-L8 WeakPolarHBondContact O-CA 3.5Å; H5-L8 VanDerWaalsContact O-CB 3.28Å; H5-L8 WeakPolarHBondContact O-CB 3.37Å; H5-L8 PolarHBondContact O-N 3.43Å; H5-Y9 HydrophobicContact CB-CE2 3.93Å; H5-Y9 WeakPolarHBondContact O-CD2 3.49Å; H5-Y9 WeakPolarHBondContact O-CE2 3.26Å; H5-Y9 PolarHBondContact O-N 2.94Å; H5-Y348 AromaticContact CE1-CE1 3.68Å; H5-V349 WeakPolarHBondContact CE1-CG2 3.47Å; H5-V349 WeakPolarHBondContact ND1-CG2 3.42Å |
| 6 | E | 62.9 | Low | 55.3 | Low | 31 Ų | 31 | 24.8 Ų | 24.8 | 15% | 0.145 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.8 | -42.1 | -177.5 | -64.8 | -133 | 99.3 | 0 | 0 | 112 | S3 L8 Y9 R313 E464 Q502 H503 | S3-E6 PolarHBondContact O-N 2.89Å; S3-E6 WeakPolarHBondContact OG-CG 3.43Å; S3-E6 PolarHBondContact OG-N 3.15Å; E6-L8 VanDerWaalsContact C-N 3.26Å; E6-L8 PolarHBondContact O-N 3.19Å; E6-Y9 PolarHBondContact O-N 3.18Å; E6-Y9 VanDerWaalsContact O-N 3.12Å; E6-R313 PolarHBondContact O-NH2 3.1Å; E6-R313 IonicContact OE1-CZ 2.65Å; E6-R313 IonicContact OE1-NH1 3.28Å; E6-R313 PolarHBondContact OE1-NH1 2.97Å; E6-R313 IonicContact OE1-NH2 3.07Å; E6-E464 WeakPolarHBondContact CG-OE2 3.43Å; E6-E464 VanDerWaalsContact OE2-CD 3.25Å; E6-Q502 PolarHBondContact OE1-NE2 3.29Å; E6-H503 IonicContact OE2-CE1 2.72Å; E6-H503 PolarHBondContact OE2-CE1 3.04Å; E6-H503 IonicContact OE2-ND1 3.19Å; E6-H503 PolarHBondContact OE2-ND1 3.09Å |
| 7 | S | 61.9 | Low | 54 | Low | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -22 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 114.3 | H5 N11 Y375 E416 I420 | H5-S7 PolarHBondContact O-N 3.39Å; S7-N11 WeakPolarHBondContact O-CB 3.41Å; S7-Y375 WeakPolarHBondContact CB-OH 3.41Å; S7-Y375 PolarHBondContact O-OH 3.15Å; S7-E416 WeakPolarHBondContact CB-OE1 3.45Å; S7-E416 PolarHBondContact OG-OE1 3.03Å; S7-I420 WeakPolarHBondContact OG-CD1 3.47Å |
| 8 | L | 58 | Low | 53 | Low | 11 Ų | 11 | 24.4 Ų | 24.4 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.2 | -32.3 | 172.2 | -72.8 | 167.6 | 0 | 0 | 0 | 111.6 | H5 E6 N11 P12 W346 V349 L376 L379 | H5-L8 WeakPolarHBondContact O-CA 3.5Å; H5-L8 VanDerWaalsContact O-CB 3.28Å; H5-L8 WeakPolarHBondContact O-CB 3.37Å; H5-L8 PolarHBondContact O-N 3.43Å; E6-L8 VanDerWaalsContact C-N 3.26Å; E6-L8 PolarHBondContact O-N 3.19Å; L8-N11 PolarHBondContact O-N 2.9Å; L8-P12 WeakPolarHBondContact O-CD 3.47Å; L8-P12 VanDerWaalsContact O-CG 3.28Å; L8-P12 WeakPolarHBondContact O-CG 3.44Å; L8-W346 HydrophobicContact CB-CH2 3.83Å; L8-W346 HydrophobicContact CB-CZ2 3.53Å; L8-V349 HydrophobicContact CD1-CG2 4.05Å; L8-L376 HydrophobicContact CD2-CD2 3.91Å; L8-L379 HydrophobicContact CD2-CD1 3.73Å; L8-L379 HydrophobicContact CG-CD1 3.96Å |
| 9 | Y | 56.1 | Low | 52.1 | Low | 23 Ų | 23 | 24.4 Ų | 24.4 | 9% | 0.09 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -80 | -32.1 | -173.6 | -63.4 | -86 | 0 | 0 | 0 | 113.8 | H5 E6 N11 P12 A309 C312 R313 W346 | H5-Y9 HydrophobicContact CB-CE2 3.93Å; H5-Y9 WeakPolarHBondContact O-CD2 3.49Å; H5-Y9 WeakPolarHBondContact O-CE2 3.26Å; H5-Y9 PolarHBondContact O-N 2.94Å; E6-Y9 PolarHBondContact O-N 3.18Å; E6-Y9 VanDerWaalsContact O-N 3.12Å; Y9-N11 VanDerWaalsContact C-N 3.25Å; Y9-P12 WeakPolarHBondContact O-CD 3.32Å; Y9-A309 HydrophobicContact CD1-CB 4.18Å; Y9-A309 VanDerWaalsContact CD1-O 3.32Å; Y9-A309 WeakPolarHBondContact CD1-O 3.44Å; Y9-A309 WeakPolarHBondContact CE1-O 3.42Å; Y9-C312 HydrophobicContact CE1-CB 3.64Å; Y9-C312 PolarHBondContact OH-O 3.43Å; Y9-R313 VanDerWaalsContact CB-NH2 3.33Å; Y9-R313 HydrophobicContact CD1-CB 4.34Å; Y9-R313 HydrophobicContact CD1-CG 3.26Å; Y9-R313 HydrophobicContact CD2-CG 4.44Å; Y9-R313 HydrophobicContact CE1-CB 4.07Å; Y9-R313 VanDerWaalsContact CE1-CD 3.41Å; Y9-R313 HydrophobicContact CE1-CG 3.41Å; Y9-R313 VanDerWaalsContact CE1-CG 3.41Å; Y9-R313 VanDerWaalsContact CG-CD 3.42Å; Y9-R313 HydrophobicContact CG-CG 3.8Å; Y9-W346 AromaticContact CD1-CH2 3.21Å; Y9-W346 HydrophobicContact CD1-CH2 3.21Å; Y9-W346 AromaticContact CD1-CZ2 3.93Å; Y9-W346 HydrophobicContact CD1-CZ2 3.93Å; Y9-W346 HydrophobicContact CD1-CZ3 4.01Å; Y9-W346 AromaticContact CD2-CH2 3.89Å; Y9-W346 HydrophobicContact CD2-CH2 3.89Å; Y9-W346 AromaticContact CE1-CH2 3.22Å; Y9-W346 HydrophobicContact CE1-CH2 3.22Å; Y9-W346 HydrophobicContact CE1-CZ2 4.31Å; Y9-W346 AromaticContact CE1-CZ3 3.53Å; Y9-W346 HydrophobicContact CE1-CZ3 3.53Å; Y9-W346 AromaticContact CE2-CH2 3.91Å; Y9-W346 HydrophobicContact CE2-CH2 3.91Å; Y9-W346 HydrophobicContact CE2-CZ3 4.33Å; Y9-W346 AromaticContact CG-CH2 3.6Å; Y9-W346 HydrophobicContact CG-CH2 3.6Å; Y9-W346 HydrophobicContact CG-CZ2 4.23Å; Y9-W346 AromaticContact CZ-CH2 3.61Å; Y9-W346 AromaticContact CZ-CZ3 3.72Å |
| 10 | F | 53.9 | Low | 50.9 | Low | 32 Ų | 32 | 29.3 Ų | 29.3 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -76.2 | -17.4 | 171.1 | -79 | -78.6 | 0 | 0 | 0 | 112.5 | K224 L259 | F10-K224 HydrophobicContact CB-CD 4.16Å; F10-K224 HydrophobicContact CB-CG 4.13Å; F10-K224 HydrophobicContact CD1-CB 3.99Å; F10-K224 HydrophobicContact CD1-CG 4.08Å; F10-K224 HydrophobicContact CD2-CG 4.3Å; F10-K224 HydrophobicContact CE1-CB 4.17Å; F10-K224 HydrophobicContact CG-CB 4.36Å; F10-K224 HydrophobicContact CG-CD 4.47Å; F10-K224 HydrophobicContact CG-CG 3.93Å; F10-L259 HydrophobicContact CD1-CD2 4.15Å; F10-L259 HydrophobicContact CE1-CD2 4.3Å |
| 11 | N | 55.4 | Low | 49.8 | Very low | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | trans | -130.7 | 30.2 | -162.8 | -140 | -13.2 | 0 | 0 | 0 | 117.2 | S7 L8 Y9 M13 M14 T15 Y375 | S7-N11 WeakPolarHBondContact O-CB 3.41Å; L8-N11 PolarHBondContact O-N 2.9Å; Y9-N11 VanDerWaalsContact C-N 3.25Å; N11-M13 PolarHBondContact O-N 3.05Å; N11-M13 VanDerWaalsContact O-N 3.16Å; N11-M14 WeakPolarHBondContact OD1-CB 3.44Å; N11-M14 PolarHBondContact OD1-N 3.19Å; N11-T15 VanDerWaalsContact CG-OG1 3.22Å; N11-T15 VanDerWaalsContact ND2-CG2 3.32Å; N11-T15 WeakPolarHBondContact ND2-CG2 3.4Å; N11-T15 PolarHBondContact ND2-OG1 3.42Å; N11-T15 PolarHBondContact OD1-N 3.29Å; N11-T15 PolarHBondContact OD1-OG1 2.99Å; N11-Y375 HydrophobicContact CB-CE1 4.02Å; N11-Y375 WeakPolarHBondContact CB-OH 3.43Å; N11-Y375 WeakPolarHBondContact ND2-CE2 3.49Å; N11-Y375 PolarHBondContact ND2-OH 3.32Å | ||
| 12 | P | 48 | Very low | 47.6 | Very low | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -62.8 | -18.9 | 169.3 | -18.4 | 33.1 | 0 | 0 | 0 | 112.4 | L8 Y9 N306 | L8-P12 WeakPolarHBondContact O-CD 3.47Å; L8-P12 VanDerWaalsContact O-CG 3.28Å; L8-P12 WeakPolarHBondContact O-CG 3.44Å; Y9-P12 WeakPolarHBondContact O-CD 3.32Å; P12-N306 WeakPolarHBondContact CG-OD1 3.28Å |
| 13 | M | 47.1 | Very low | 46.6 | Very low | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -127.6 | -28.4 | -168.9 | -73.3 | -165.6 | 107.1 | 0 | 0 | 116.1 | N11 V18 V19 Y277 F278 Y302 | N11-M13 PolarHBondContact O-N 3.05Å; N11-M13 VanDerWaalsContact O-N 3.16Å; M13-V18 HydrophobicContact CE-CG1 4.49Å; M13-V19 HydrophobicContact CB-CG2 3.66Å; M13-V19 HydrophobicContact CE-CG2 3.16Å; M13-V19 HydrophobicContact CG-CG2 3.93Å; M13-V19 PolarHBondContact O-N 2.97Å; M13-V19 VanDerWaalsContact O-N 3.16Å; M13-V19 HydrophobicContact SD-CG2 3.85Å; M13-Y277 HydrophobicContact SD-CE1 3.91Å; M13-F278 HydrophobicContact CE-CE1 3.7Å; M13-F278 HydrophobicContact CE-CZ 4.06Å; M13-F278 HydrophobicContact SD-CE1 3.87Å; M13-F278 HydrophobicContact SD-CZ 3.6Å; M13-F278 VanDerWaalsContact SD-CZ 3.6Å; M13-Y302 HydrophobicContact CE-CG 4.05Å |
| 14 | M | 42 | Very low | 45.2 | Very low | 71 Ų | 71 | 35.1 Ų | 35.1 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -81.1 | -37.1 | -163.6 | -65.6 | -110.7 | -73.4 | 0 | 0 | 114.9 | N11 | N11-M14 WeakPolarHBondContact OD1-CB 3.44Å; N11-M14 PolarHBondContact OD1-N 3.19Å |
| 15 | T | 40.7 | Very low | 44 | Very low | 68 Ų | 68 | 36.6 Ų | 36.6 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -105.8 | -19.4 | -171.9 | 54.6 | 0 | 0 | 0 | 0 | 116.2 | N11 G17 | N11-T15 VanDerWaalsContact CG-OG1 3.22Å; N11-T15 VanDerWaalsContact ND2-CG2 3.32Å; N11-T15 WeakPolarHBondContact ND2-CG2 3.4Å; N11-T15 PolarHBondContact ND2-OG1 3.42Å; N11-T15 PolarHBondContact OD1-N 3.29Å; N11-T15 PolarHBondContact OD1-OG1 2.99Å; T15-G17 VanDerWaalsContact C-N 3.3Å; T15-G17 PolarHBondContact O-N 3.34Å |
| 16 | N | 40.8 | Very low | 43 | Very low | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -90.2 | 20.3 | -174.4 | -74.8 | -13.1 | 0 | 0 | 0 | 114.9 | V18 H342 L373 Y375 L376 | N16-V18 HydrophobicContact CB-CG2 4.49Å; N16-V18 PolarHBondContact O-N 3.27Å; N16-H342 PolarHBondContact ND2-CE1 3.03Å; N16-H342 PolarHBondContact ND2-NE2 3.44Å; N16-L373 HydrophobicContact CB-CD2 4.39Å; N16-Y375 WeakPolarHBondContact OD1-CB 3.38Å; N16-L376 WeakPolarHBondContact ND2-CD1 3.11Å; N16-L376 VanDerWaalsContact ND2-CG 3.3Å; N16-L376 WeakPolarHBondContact ND2-CG 3.31Å |
| 17 | G | 32 | Very low | 42.1 | Very low | 37 Ų | 37 | 44.2 Ų | 44.2 | 38% | 0.381 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 67 | 3.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T15 V19 R298 | T15-G17 VanDerWaalsContact C-N 3.3Å; T15-G17 PolarHBondContact O-N 3.34Å; G17-V19 VanDerWaalsContact C-N 3.35Å; G17-R298 PolarHBondContact O-NH2 3.45Å |
| 18 | V | 37.2 | Very low | 41.7 | Very low | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -70.3 | -36.8 | 175 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | M13 N16 R298 Y302 V338 | M13-V18 HydrophobicContact CE-CG1 4.49Å; N16-V18 HydrophobicContact CB-CG2 4.49Å; N16-V18 PolarHBondContact O-N 3.27Å; V18-R298 VanDerWaalsContact C-NH2 3.32Å; V18-R298 VanDerWaalsContact O-CZ 3.31Å; V18-R298 PolarHBondContact O-NE 3.09Å; V18-R298 PolarHBondContact O-NH2 3.3Å; V18-Y302 HydrophobicContact CB-CE1 4.12Å; V18-Y302 HydrophobicContact CG1-CD1 3.59Å; V18-Y302 HydrophobicContact CG1-CD2 3.66Å; V18-Y302 HydrophobicContact CG1-CE1 3.25Å; V18-Y302 HydrophobicContact CG1-CE2 3.35Å; V18-Y302 HydrophobicContact CG1-CG 3.81Å; V18-Y302 HydrophobicContact CG2-CE1 3.87Å; V18-Y302 VanDerWaalsContact CG2-OH 3.26Å; V18-Y302 WeakPolarHBondContact CG2-OH 3.47Å; V18-V338 HydrophobicContact CG2-CG1 3.65Å |
| 19 | V | 34.7 | Very low | 42 | Very low | 24 Ų | 24 | 50.4 Ų | 50.4 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -122.6 | 113.5 | 156.9 | -152.9 | 0 | 0 | 0 | 0 | 103.5 | M13 G17 V23 | M13-V19 HydrophobicContact CB-CG2 3.66Å; M13-V19 HydrophobicContact CE-CG2 3.16Å; M13-V19 HydrophobicContact CG-CG2 3.93Å; M13-V19 PolarHBondContact O-N 2.97Å; M13-V19 VanDerWaalsContact O-N 3.16Å; M13-V19 HydrophobicContact SD-CG2 3.85Å; G17-V19 VanDerWaalsContact C-N 3.35Å; V19-V23 HydrophobicContact CB-CG2 3.47Å; V19-V23 VanDerWaalsContact CB-CG2 3.47Å; V19-V23 HydrophobicContact CG1-CB 4.18Å; V19-V23 HydrophobicContact CG1-CG2 3.16Å; V19-V23 HydrophobicContact CG2-CG2 4.37Å |
| 20 | H | 28.8 | Very low | 43.1 | Very low | 121 Ų | 121 | 49.8 Ų | 49.8 | 56% | 0.56 | 27% | 0.272 | S | S | * | . | trans | -46.2 | 157 | 167.8 | -81 | -89.7 | 0 | 0 | 0 | 108 | N22 V23 | H20-N22 HydrophobicContact CB-CB 3.71Å; H20-N22 CarbonylContact O-C 3.55Å; H20-N22 WeakPolarHBondContact O-CA 3.37Å; H20-N22 PolarHBondContact O-N 2.72Å; H20-V23 PolarHBondContact O-N 3.11Å | ||
| 21 | A | 27.9 | Very low | 44.4 | Very low | 84 Ų | 84 | 49.1 Ų | 49.1 | 69% | 0.694 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -45 | -15.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113 | V23 F24 | A21-V23 PolarHBondContact O-N 3.38Å; A21-V23 VanDerWaalsContact O-N 3.13Å; A21-F24 PolarHBondContact O-N 2.91Å |
| 22 | N | 30.1 | Very low | 45.9 | Very low | 113 Ų | 113 | 49.9 Ų | 49.9 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -61.4 | 8.7 | 160.8 | -53 | -1.5 | 0 | 0 | 0 | 116.7 | H20 F24 G25 | H20-N22 HydrophobicContact CB-CB 3.71Å; H20-N22 CarbonylContact O-C 3.55Å; H20-N22 WeakPolarHBondContact O-CA 3.37Å; H20-N22 PolarHBondContact O-N 2.72Å; N22-F24 PolarHBondContact O-N 3.13Å; N22-G25 WeakPolarHBondContact O-CA 3.42Å; N22-G25 PolarHBondContact O-N 3.05Å |
| 23 | V | 34.7 | Very low | 47.8 | Very low | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -50.9 | -43 | 150 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | V19 H20 A21 G25 E252 | V19-V23 HydrophobicContact CB-CG2 3.47Å; V19-V23 VanDerWaalsContact CB-CG2 3.47Å; V19-V23 HydrophobicContact CG1-CB 4.18Å; V19-V23 HydrophobicContact CG1-CG2 3.16Å; V19-V23 HydrophobicContact CG2-CG2 4.37Å; H20-V23 PolarHBondContact O-N 3.11Å; A21-V23 PolarHBondContact O-N 3.38Å; A21-V23 VanDerWaalsContact O-N 3.13Å; V23-G25 PolarHBondContact O-N 3.3Å; V23-E252 HydrophobicContact CG1-CB 4.42Å; V23-E252 HydrophobicContact CG1-CG 3.47Å; V23-E252 VanDerWaalsContact CG1-CG 3.47Å; V23-E252 WeakPolarHBondContact O-CG 3.32Å |
| 24 | F | 37.7 | Very low | 49.7 | Very low | 38 Ų | 38 | 49.9 Ų | 49.9 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -96.4 | 53.9 | 169 | -52.8 | -64.2 | 0 | 0 | 0 | 108.8 | A21 N22 I26 E213 L216 E252 | A21-F24 PolarHBondContact O-N 2.91Å; N22-F24 PolarHBondContact O-N 3.13Å; F24-I26 PolarHBondContact O-N 3.35Å; F24-E213 VanDerWaalsContact CA-OE2 3.32Å; F24-E213 WeakPolarHBondContact CA-OE2 3.4Å; F24-E213 HydrophobicContact CB-CB 4.02Å; F24-E213 HydrophobicContact CB-CG 4.25Å; F24-E213 HydrophobicContact CD1-CB 3.97Å; F24-E213 HydrophobicContact CD1-CG 4.14Å; F24-E213 HydrophobicContact CG-CB 4.4Å; F24-L216 HydrophobicContact CD1-CB 4.39Å; F24-L216 HydrophobicContact CE1-CB 3.59Å; F24-L216 HydrophobicContact CE1-CD1 4.23Å; F24-L216 HydrophobicContact CZ-CB 4.3Å; F24-E252 HydrophobicContact CD1-CB 4.44Å; F24-E252 HydrophobicContact CD1-CG 4.18Å; F24-E252 HydrophobicContact CE1-CB 3.97Å; F24-E252 HydrophobicContact CE1-CG 4.07Å |
| 25 | G | 33.3 | Very low | 52.1 | Low | 31 Ų | 31 | 46.5 Ų | 46.5 | 32% | 0.32 | 26% | 0.259 | S | S | . | . | trans | -73.5 | 77.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | N22 V23 K27 | N22-G25 WeakPolarHBondContact O-CA 3.42Å; N22-G25 PolarHBondContact O-N 3.05Å; V23-G25 PolarHBondContact O-N 3.3Å; G25-K27 PolarHBondContact O-N 3.14Å | ||
| 26 | I | 39.9 | Very low | 54.6 | Low | 74 Ų | 74 | 43.3 Ų | 43.3 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | trans | -48.5 | 100.3 | -176.3 | -54.8 | 163.6 | 0 | 0 | 0 | 109.4 | F24 D28 K210 E213 | F24-I26 PolarHBondContact O-N 3.35Å; I26-D28 VanDerWaalsContact C-N 3.27Å; I26-D28 HydrophobicContact CG2-CB 3.89Å; I26-D28 VanDerWaalsContact CG2-CG 3.49Å; I26-D28 WeakPolarHBondContact CG2-OD1 3.43Å; I26-D28 PolarHBondContact O-N 3.23Å; I26-K210 HydrophobicContact CB-CG 4.23Å; I26-K210 HydrophobicContact CD1-CD 4.33Å; I26-K210 HydrophobicContact CD1-CG 4.02Å; I26-K210 HydrophobicContact CG1-CG 4.12Å; I26-K210 HydrophobicContact CG2-CB 4.29Å; I26-K210 HydrophobicContact CG2-CD 4Å; I26-K210 HydrophobicContact CG2-CG 3.11Å; I26-E213 WeakPolarHBondContact CA-OE1 3.25Å; I26-E213 WeakPolarHBondContact CA-OE2 3.5Å; I26-E213 WeakPolarHBondContact CB-OE2 3.25Å; I26-E213 WeakPolarHBondContact CG1-OE2 3.37Å; I26-E213 PolarHBondContact N-OE2 3.02Å | ||
| 27 | K | 44.9 | Very low | 57 | Low | 147 Ų | 147 | 42.3 Ų | 42.3 | 64% | 0.639 | 23% | 0.234 | S | C | * | . | trans | -74.4 | 98.9 | 158.7 | -70.1 | 179.7 | 180 | 173.5 | 0 | 105 | G25 W29 Q209 | G25-K27 PolarHBondContact O-N 3.14Å; K27-W29 VanDerWaalsContact O-CD1 3.25Å; K27-W29 PolarHBondContact O-N 3.42Å; K27-Q209 VanDerWaalsContact N-NE2 3.16Å; K27-Q209 PolarHBondContact O-OE1 2.96Å | ||
| 28 | D | 52.4 | Low | 59.9 | Low | 23 Ų | 23 | 40.6 Ų | 40.6 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | trans | -82.4 | 107.3 | -168.2 | -127.9 | -18.7 | 0 | 0 | 0 | 108.8 | I26 K34 H138 M139 A142 K210 | I26-D28 VanDerWaalsContact C-N 3.27Å; I26-D28 HydrophobicContact CG2-CB 3.89Å; I26-D28 VanDerWaalsContact CG2-CG 3.49Å; I26-D28 WeakPolarHBondContact CG2-OD1 3.43Å; I26-D28 PolarHBondContact O-N 3.23Å; D28-K34 IonicContact OD1-NZ 3.42Å; D28-K34 PolarHBondContact OD1-NZ 3.04Å; D28-H138 VanDerWaalsContact CB-CD2 3.46Å; D28-H138 WeakPolarHBondContact CB-CD2 3.19Å; D28-H138 WeakPolarHBondContact CB-NE2 3.44Å; D28-H138 IonicContact OD2-CD2 2.72Å; D28-H138 PolarHBondContact OD2-CD2 3.07Å; D28-H138 IonicContact OD2-NE2 3.97Å; D28-H138 PolarHBondContact OD2-NE2 3.38Å; D28-M139 HydrophobicContact CB-CE 3.95Å; D28-M139 WeakPolarHBondContact OD2-CE 3.37Å; D28-A142 WeakPolarHBondContact O-CB 3.27Å; D28-K210 VanDerWaalsContact CG-NZ 3.26Å; D28-K210 WeakPolarHBondContact OD1-CD 3.34Å; D28-K210 WeakPolarHBondContact OD1-CE 3.33Å; D28-K210 VanDerWaalsContact OD1-CG 3.3Å; D28-K210 WeakPolarHBondContact OD1-CG 3.42Å; D28-K210 IonicContact OD1-NZ 2.64Å; D28-K210 PolarHBondContact OD1-NZ 2.66Å; D28-K210 WeakPolarHBondContact OD2-CE 3.47Å; D28-K210 IonicContact OD2-NZ 3.96Å; D28-K210 PolarHBondContact OD2-NZ 3.21Å | ||
| 29 | W | 65 | Low | 62.6 | Low | 126 Ų | 126 | 40.3 Ų | 40.3 | 48% | 0.477 | 21% | 0.214 | S | C | . | . | trans | -86.8 | 142.8 | 168.7 | -63 | 78.1 | 0 | 0 | 0 | 109.1 | K27 T31 K34 L146 | K27-W29 VanDerWaalsContact O-CD1 3.25Å; K27-W29 PolarHBondContact O-N 3.42Å; W29-T31 PolarHBondContact O-N 3.42Å; W29-K34 PolarHBondContact O-NZ 3.38Å; W29-L146 HydrophobicContact CE3-CD2 4.08Å; W29-L146 HydrophobicContact CZ3-CD2 4.06Å | ||
| 30 | V | 78.4 | Confident | 65.4 | Low | 10 Ų | 10 | 39.2 Ų | 39.2 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | trans | -68.4 | 125.2 | 167.9 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | I35 F112 M139 A142 L154 | V30-I35 HydrophobicContact CG1-CD1 4.15Å; V30-I35 HydrophobicContact CG1-CG1 3.79Å; V30-F112 HydrophobicContact CG1-CE1 4.45Å; V30-F112 HydrophobicContact CG1-CZ 3.71Å; V30-M139 HydrophobicContact CG2-SD 4.5Å; V30-A142 HydrophobicContact CG2-CB 3.85Å; V30-L154 HydrophobicContact CB-CD2 3.91Å; V30-L154 HydrophobicContact CG1-CD1 4.43Å; V30-L154 HydrophobicContact CG1-CD2 3.72Å; V30-L154 VanDerWaalsContact O-CD1 3.23Å; V30-L154 WeakPolarHBondContact O-CD1 3.41Å | ||
| 31 | T | 82.4 | Confident | 68.3 | Low | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | trans | -119.1 | 160 | 178.1 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | W29 Y33 K34 I35 D72 | W29-T31 PolarHBondContact O-N 3.42Å; T31-Y33 VanDerWaalsContact C-N 3.27Å; T31-Y33 PolarHBondContact O-N 3Å; T31-K34 PolarHBondContact O-N 3.43Å; T31-K34 WeakPolarHBondContact OG1-CG 3Å; T31-K34 PolarHBondContact OG1-N 2.89Å; T31-I35 WeakPolarHBondContact O-CG1 3.48Å; T31-I35 PolarHBondContact O-N 3.4Å; T31-D72 WeakPolarHBondContact CB-OD2 3.26Å; T31-D72 WeakPolarHBondContact CG2-OD2 3.43Å; T31-D72 PolarHBondContact OG1-OD2 3.35Å | ||
| 32 | P | 87 | Confident | 71.2 | Confident | 19 Ų | 19 | 30.3 Ų | 30.3 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.1 | -40.7 | 176.1 | -31.9 | 39.2 | 0 | 0 | 0 | 114.4 | I35 A36 A157 L158 Y161 | P32-I35 WeakPolarHBondContact O-CB 3.24Å; P32-I35 PolarHBondContact O-N 3.27Å; P32-A36 PolarHBondContact O-N 3.23Å; P32-A157 VanDerWaalsContact CG-C 3.48Å; P32-A157 HydrophobicContact CG-CB 3.8Å; P32-A157 WeakPolarHBondContact CG-O 3.44Å; P32-L158 HydrophobicContact CB-CB 4.46Å; P32-L158 HydrophobicContact CB-CD1 4.03Å; P32-L158 HydrophobicContact CG-CB 4.46Å; P32-Y161 HydrophobicContact CB-CD1 3.62Å; P32-Y161 HydrophobicContact CB-CD2 4.23Å; P32-Y161 HydrophobicContact CB-CE1 4.34Å; P32-Y161 HydrophobicContact CB-CG 3.55Å |
| 33 | Y | 87.9 | Confident | 73.9 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 173.5 | 164.1 | -102 | 0 | 0 | 0 | 112 | T31 I35 A36 V37 L67 D72 I73 L78 | T31-Y33 VanDerWaalsContact C-N 3.27Å; T31-Y33 PolarHBondContact O-N 3Å; Y33-I35 VanDerWaalsContact C-N 3.28Å; Y33-I35 PolarHBondContact O-N 2.87Å; Y33-A36 CarbonylContact O-C 3.46Å; Y33-A36 WeakPolarHBondContact O-CA 3.43Å; Y33-A36 VanDerWaalsContact O-CB 3.3Å; Y33-A36 WeakPolarHBondContact O-CB 3.38Å; Y33-A36 PolarHBondContact O-N 3.49Å; Y33-V37 HydrophobicContact CD1-CG2 4.37Å; Y33-V37 HydrophobicContact CD2-CG2 4.27Å; Y33-V37 HydrophobicContact CE1-CG2 3.84Å; Y33-V37 HydrophobicContact CE2-CG2 3.68Å; Y33-V37 VanDerWaalsContact CZ-CG2 3.46Å; Y33-V37 WeakPolarHBondContact O-CG2 3.32Å; Y33-V37 PolarHBondContact O-N 3.23Å; Y33-L67 VanDerWaalsContact OH-CA 3.31Å; Y33-L67 WeakPolarHBondContact OH-CA 3.49Å; Y33-L67 WeakPolarHBondContact OH-CD2 3.26Å; Y33-L67 PolarHBondContact OH-O 3.03Å; Y33-D72 HydrophobicContact CD1-CB 3.54Å; Y33-D72 VanDerWaalsContact CD1-CG 3.46Å; Y33-D72 WeakPolarHBondContact CD1-OD1 3.24Å; Y33-D72 HydrophobicContact CE1-CB 4.36Å; Y33-D72 HydrophobicContact CG-CB 3.63Å; Y33-I73 HydrophobicContact CD2-CG1 3.75Å; Y33-I73 HydrophobicContact CE2-CD1 4.08Å; Y33-I73 HydrophobicContact CE2-CG1 3.31Å; Y33-L78 HydrophobicContact CD2-CD2 4.13Å; Y33-L78 HydrophobicContact CE2-CD1 4.22Å; Y33-L78 HydrophobicContact CE2-CD2 4.13Å |
| 34 | K | 87 | Confident | 76.3 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.2 | -34.9 | 178.5 | -68.3 | 176.2 | -166 | 171 | 0 | 111.6 | D28 W29 T31 A36 V37 L38 F135 M139 | D28-K34 IonicContact OD1-NZ 3.42Å; D28-K34 PolarHBondContact OD1-NZ 3.04Å; W29-K34 PolarHBondContact O-NZ 3.38Å; T31-K34 PolarHBondContact O-N 3.43Å; T31-K34 WeakPolarHBondContact OG1-CG 3Å; T31-K34 PolarHBondContact OG1-N 2.89Å; K34-A36 VanDerWaalsContact C-N 3.31Å; K34-V37 PolarHBondContact O-N 2.92Å; K34-L38 WeakPolarHBondContact O-CB 3.31Å; K34-L38 WeakPolarHBondContact O-CG 3.42Å; K34-L38 PolarHBondContact O-N 3.36Å; K34-F135 HydrophobicContact CB-CZ 4.37Å; K34-F135 HydrophobicContact CG-CZ 4.27Å; K34-M139 HydrophobicContact CB-SD 4.18Å; K34-M139 HydrophobicContact CD-CE 4.35Å; K34-M139 HydrophobicContact CD-SD 3.57Å; K34-M139 VanDerWaalsContact CD-SD 3.57Å; K34-M139 HydrophobicContact CG-SD 4.38Å |
| 35 | I | 91.5 | Very high | 78.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 169.9 | -64.6 | 170.6 | 0 | 0 | 0 | 109.6 | V30 T31 P32 Y33 V37 L38 V39 M100 M108 F111 F112 L154 L158 | V30-I35 HydrophobicContact CG1-CD1 4.15Å; V30-I35 HydrophobicContact CG1-CG1 3.79Å; T31-I35 WeakPolarHBondContact O-CG1 3.48Å; T31-I35 PolarHBondContact O-N 3.4Å; P32-I35 WeakPolarHBondContact O-CB 3.24Å; P32-I35 PolarHBondContact O-N 3.27Å; Y33-I35 VanDerWaalsContact C-N 3.28Å; Y33-I35 PolarHBondContact O-N 2.87Å; I35-V37 VanDerWaalsContact C-N 3.33Å; I35-V37 PolarHBondContact O-N 3Å; I35-L38 WeakPolarHBondContact O-CB 3.39Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-L38 VanDerWaalsContact O-N 3.13Å; I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 3.48Å; I35-M100 HydrophobicContact CG2-CE 3.67Å; I35-M108 HydrophobicContact CD1-SD 4.12Å; I35-F111 HydrophobicContact CG2-CE1 4.21Å; I35-F112 HydrophobicContact CD1-CE2 4.31Å; I35-F112 HydrophobicContact CG1-CE2 4.17Å; I35-F112 HydrophobicContact CG1-CZ 4.01Å; I35-L154 HydrophobicContact CD1-CD1 4.02Å; I35-L154 HydrophobicContact CD1-CD2 4.21Å; I35-L154 HydrophobicContact CD1-CG 4.1Å; I35-L158 HydrophobicContact CB-CD1 4.48Å; I35-L158 HydrophobicContact CD1-CD1 4.49Å; I35-L158 HydrophobicContact CD1-CD2 4.39Å; I35-L158 HydrophobicContact CG2-CD1 4.33Å; I35-L158 HydrophobicContact CG2-CD2 4.46Å |
| 36 | A | 93.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P32 Y33 K34 V39 L40 L75 L78 I97 Y161 | P32-A36 PolarHBondContact O-N 3.23Å; Y33-A36 CarbonylContact O-C 3.46Å; Y33-A36 WeakPolarHBondContact O-CA 3.43Å; Y33-A36 VanDerWaalsContact O-CB 3.3Å; Y33-A36 WeakPolarHBondContact O-CB 3.38Å; Y33-A36 PolarHBondContact O-N 3.49Å; K34-A36 VanDerWaalsContact C-N 3.31Å; A36-V39 WeakPolarHBondContact O-CB 3.46Å; A36-V39 PolarHBondContact O-N 2.86Å; A36-L40 PolarHBondContact O-N 3.27Å; A36-L75 HydrophobicContact CB-CD1 4.37Å; A36-L78 HydrophobicContact CB-CD2 3.49Å; A36-L78 VanDerWaalsContact CB-CD2 3.49Å; A36-I97 HydrophobicContact CB-CD1 3.44Å; A36-I97 VanDerWaalsContact CB-CD1 3.44Å; A36-I97 HydrophobicContact CB-CG1 4.41Å; A36-Y161 HydrophobicContact CB-CE1 4.35Å |
| 37 | V | 91.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 172.9 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | Y33 K34 I35 V39 L40 L41 L67 L68 F135 | Y33-V37 HydrophobicContact CD1-CG2 4.37Å; Y33-V37 HydrophobicContact CD2-CG2 4.27Å; Y33-V37 HydrophobicContact CE1-CG2 3.84Å; Y33-V37 HydrophobicContact CE2-CG2 3.68Å; Y33-V37 VanDerWaalsContact CZ-CG2 3.46Å; Y33-V37 WeakPolarHBondContact O-CG2 3.32Å; Y33-V37 PolarHBondContact O-N 3.23Å; K34-V37 PolarHBondContact O-N 2.92Å; I35-V37 VanDerWaalsContact C-N 3.33Å; I35-V37 PolarHBondContact O-N 3Å; V37-V39 VanDerWaalsContact C-N 3.3Å; V37-V39 PolarHBondContact O-N 3.14Å; V37-L40 WeakPolarHBondContact O-CB 2.97Å; V37-L40 PolarHBondContact O-N 2.93Å; V37-L41 HydrophobicContact CG1-CD1 4.46Å; V37-L41 WeakPolarHBondContact O-CG 3.42Å; V37-L41 PolarHBondContact O-N 3.27Å; V37-L67 HydrophobicContact CG2-CB 4.5Å; V37-L68 HydrophobicContact CG1-CD2 3.8Å; V37-F135 HydrophobicContact CG1-CE1 4.19Å; V37-F135 HydrophobicContact CG1-CZ 4.38Å |
| 38 | L | 92.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -38 | 173.7 | -69.5 | 168.7 | 0 | 0 | 0 | 111.4 | K34 I35 L41 N42 F111 F112 L115 F135 L136 M139 | K34-L38 WeakPolarHBondContact O-CB 3.31Å; K34-L38 WeakPolarHBondContact O-CG 3.42Å; K34-L38 PolarHBondContact O-N 3.36Å; I35-L38 WeakPolarHBondContact O-CB 3.39Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-L38 VanDerWaalsContact O-N 3.13Å; L38-L41 PolarHBondContact O-N 3.05Å; L38-N42 WeakPolarHBondContact O-CB 3.37Å; L38-N42 PolarHBondContact O-N 3.43Å; L38-F111 HydrophobicContact CB-CE1 4.17Å; L38-F111 HydrophobicContact CB-CZ 4.12Å; L38-F112 HydrophobicContact CD1-CE1 3.84Å; L38-F112 HydrophobicContact CD1-CZ 4.02Å; L38-L115 HydrophobicContact CB-CD1 4.13Å; L38-L115 HydrophobicContact CD2-CD2 4.5Å; L38-F135 HydrophobicContact CD2-CD1 4.22Å; L38-F135 HydrophobicContact CD2-CE1 3.85Å; L38-F135 HydrophobicContact CG-CE1 4.23Å; L38-L136 HydrophobicContact CD2-CD2 3.49Å; L38-L136 VanDerWaalsContact CD2-CD2 3.49Å; L38-L136 HydrophobicContact CD2-CG 4.35Å; L38-M139 HydrophobicContact CD1-CB 3.88Å; L38-M139 HydrophobicContact CD1-CG 4.23Å; L38-M139 HydrophobicContact CD2-CB 4.06Å; L38-M139 HydrophobicContact CD2-CG 4.2Å; L38-M139 HydrophobicContact CG-CB 4.47Å; L38-M139 HydrophobicContact CG-CG 4.48Å |
| 39 | V | 93.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 172.9 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | I35 A36 V37 L41 N42 E43 V93 R96 I97 M100 F111 | I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 3.48Å; A36-V39 WeakPolarHBondContact O-CB 3.46Å; A36-V39 PolarHBondContact O-N 2.86Å; V37-V39 VanDerWaalsContact C-N 3.3Å; V37-V39 PolarHBondContact O-N 3.14Å; V39-L41 VanDerWaalsContact C-N 3.33Å; V39-L41 PolarHBondContact O-N 3.07Å; V39-N42 PolarHBondContact O-N 3.36Å; V39-E43 HydrophobicContact CG1-CG 4.22Å; V39-E43 WeakPolarHBondContact O-CB 3.25Å; V39-E43 WeakPolarHBondContact O-CG 3.5Å; V39-E43 PolarHBondContact O-N 3.39Å; V39-V93 HydrophobicContact CB-CG1 4.45Å; V39-V93 HydrophobicContact CG1-CB 4.27Å; V39-V93 HydrophobicContact CG1-CG1 3.94Å; V39-V93 HydrophobicContact CG1-CG2 4.29Å; V39-R96 HydrophobicContact CG1-CB 3.81Å; V39-R96 HydrophobicContact CG1-CG 3.83Å; V39-R96 HydrophobicContact CG2-CG 4.26Å; V39-I97 HydrophobicContact CB-CG1 4.38Å; V39-I97 HydrophobicContact CG1-CG1 4.31Å; V39-I97 HydrophobicContact CG2-CG1 4.17Å; V39-M100 HydrophobicContact CG2-CE 3.63Å; V39-F111 HydrophobicContact CB-CZ 4.22Å; V39-F111 HydrophobicContact CG2-CE1 4.05Å; V39-F111 HydrophobicContact CG2-CE2 3.76Å; V39-F111 HydrophobicContact CG2-CZ 3.4Å |
| 40 | L | 92.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.5 | -48.6 | 174.6 | 173.9 | 66.4 | 0 | 0 | 0 | 111.7 | A36 V37 N42 E43 M44 L64 L67 I82 L89 V93 | A36-L40 PolarHBondContact O-N 3.27Å; V37-L40 WeakPolarHBondContact O-CB 2.97Å; V37-L40 PolarHBondContact O-N 2.93Å; L40-N42 PolarHBondContact O-N 3.24Å; L40-E43 PolarHBondContact O-N 3.03Å; L40-M44 HydrophobicContact CD1-CG 4.27Å; L40-M44 HydrophobicContact CD1-SD 4.28Å; L40-M44 HydrophobicContact CG-SD 4.21Å; L40-M44 WeakPolarHBondContact O-CB 3.44Å; L40-M44 VanDerWaalsContact O-CG 3.26Å; L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 2.97Å; L40-L64 HydrophobicContact CD2-CD2 4.34Å; L40-L67 HydrophobicContact CD2-CD1 3.81Å; L40-I82 HydrophobicContact CD1-CD1 4.01Å; L40-I82 HydrophobicContact CD1-CG1 4.14Å; L40-I82 HydrophobicContact CD1-CG2 3.98Å; L40-I82 HydrophobicContact CD2-CD1 4.05Å; L40-I82 HydrophobicContact CD2-CG1 4.08Å; L40-I82 HydrophobicContact CG-CD1 4.42Å; L40-L89 HydrophobicContact CD1-CD2 3.52Å; L40-L89 HydrophobicContact CD1-CG 3.97Å; L40-V93 HydrophobicContact CB-CG2 4.16Å; L40-V93 HydrophobicContact CD1-CG2 4.03Å |
| 41 | L | 90.2 | Very high | 82.1 | Confident | 13 Ų | 13 | 32 Ų | 32 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 179.3 | -70.9 | 175.8 | 0 | 0 | 0 | 112.6 | V37 L38 V39 M44 S45 L64 L68 V132 F135 L136 | V37-L41 HydrophobicContact CG1-CD1 4.46Å; V37-L41 WeakPolarHBondContact O-CG 3.42Å; V37-L41 PolarHBondContact O-N 3.27Å; L38-L41 PolarHBondContact O-N 3.05Å; V39-L41 VanDerWaalsContact C-N 3.33Å; V39-L41 PolarHBondContact O-N 3.07Å; L41-M44 PolarHBondContact O-N 3.33Å; L41-S45 PolarHBondContact O-N 3.33Å; L41-L64 HydrophobicContact CD2-CD1 4.19Å; L41-L64 HydrophobicContact CD2-CD2 3.6Å; L41-L68 HydrophobicContact CD1-CD2 4.16Å; L41-V132 HydrophobicContact CD1-CG1 3.84Å; L41-V132 HydrophobicContact CD2-CG1 3.6Å; L41-V132 HydrophobicContact CG-CG1 4.3Å; L41-F135 HydrophobicContact CD1-CD1 4.07Å; L41-F135 HydrophobicContact CD1-CE1 4.33Å; L41-L136 HydrophobicContact CD1-CD1 4.47Å; L41-L136 HydrophobicContact CD1-CD2 4.26Å; L41-L136 HydrophobicContact CD1-CG 4.08Å |
| 42 | N | 89 | Confident | 81.8 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | 177.8 | -171.6 | 14.9 | 0 | 0 | 0 | 111.8 | L38 V39 L40 M44 S45 R46 | L38-N42 WeakPolarHBondContact O-CB 3.37Å; L38-N42 PolarHBondContact O-N 3.43Å; V39-N42 PolarHBondContact O-N 3.36Å; L40-N42 PolarHBondContact O-N 3.24Å; N42-M44 VanDerWaalsContact C-N 3.35Å; N42-S45 PolarHBondContact O-N 2.82Å; N42-S45 PolarHBondContact O-OG 3.16Å; N42-R46 WeakPolarHBondContact O-CG 3.42Å; N42-R46 PolarHBondContact O-N 3.4Å; N42-R46 PolarHBondContact OD1-NE 3.36Å |
| 43 | E | 87.6 | Confident | 81.5 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -35.2 | 174.3 | -69.6 | -57.1 | 137.9 | 0 | 0 | 112.1 | V39 L40 S45 T47 L89 V93 R96 | V39-E43 HydrophobicContact CG1-CG 4.22Å; V39-E43 WeakPolarHBondContact O-CB 3.25Å; V39-E43 WeakPolarHBondContact O-CG 3.5Å; V39-E43 PolarHBondContact O-N 3.39Å; L40-E43 PolarHBondContact O-N 3.03Å; E43-S45 VanDerWaalsContact C-N 3.27Å; E43-S45 PolarHBondContact O-N 3.14Å; E43-T47 WeakPolarHBondContact O-CB 3.46Å; E43-T47 VanDerWaalsContact O-CG2 3.3Å; E43-T47 WeakPolarHBondContact O-CG2 3.12Å; E43-T47 PolarHBondContact O-N 2.9Å; E43-T47 PolarHBondContact O-OG1 3.01Å; E43-L89 HydrophobicContact CB-CD1 3.53Å; E43-V93 HydrophobicContact CB-CG2 4.24Å; E43-V93 HydrophobicContact CG-CG2 4.07Å; E43-R96 IonicContact OE1-CZ 3.67Å; E43-R96 IonicContact OE1-NE 3.76Å; E43-R96 PolarHBondContact OE1-NE 3.19Å; E43-R96 IonicContact OE1-NH1 3.78Å; E43-R96 PolarHBondContact OE1-NH1 3.36Å; E43-R96 IonicContact OE1-NH2 2.66Å; E43-R96 PolarHBondContact OE1-NH2 3.3Å |
| 44 | M | 85.2 | Confident | 81.2 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 17% | 0.167 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -28.5 | 173.4 | -75.4 | -177.7 | 68.3 | 0 | 0 | 113.2 | L40 L41 N42 T47 L60 L64 L89 | L40-M44 HydrophobicContact CD1-CG 4.27Å; L40-M44 HydrophobicContact CD1-SD 4.28Å; L40-M44 HydrophobicContact CG-SD 4.21Å; L40-M44 WeakPolarHBondContact O-CB 3.44Å; L40-M44 VanDerWaalsContact O-CG 3.26Å; L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 2.97Å; L41-M44 PolarHBondContact O-N 3.33Å; N42-M44 VanDerWaalsContact C-N 3.35Å; M44-T47 PolarHBondContact O-OG1 3.47Å; M44-L60 HydrophobicContact CE-CB 3.83Å; M44-L60 HydrophobicContact CE-CD1 4.32Å; M44-L60 HydrophobicContact SD-CB 4.32Å; M44-L64 HydrophobicContact CE-CD1 4.13Å; M44-L64 HydrophobicContact SD-CD1 4.37Å; M44-L64 HydrophobicContact SD-CD2 4.1Å; M44-L64 HydrophobicContact SD-CG 4.5Å; M44-L89 HydrophobicContact CG-CD1 4.39Å; M44-L89 HydrophobicContact CG-CD2 3.55Å; M44-L89 HydrophobicContact SD-CD2 4.41Å |
| 45 | S | 79.4 | Confident | 81.1 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -84.6 | -36.3 | 177.8 | 74 | 0 | 0 | 0 | 0 | 112.5 | L41 N42 E43 E125 | L41-S45 PolarHBondContact O-N 3.33Å; N42-S45 PolarHBondContact O-N 2.82Å; N42-S45 PolarHBondContact O-OG 3.16Å; E43-S45 VanDerWaalsContact C-N 3.27Å; E43-S45 PolarHBondContact O-N 3.14Å; S45-E125 WeakPolarHBondContact CB-OE2 3.33Å; S45-E125 PolarHBondContact OG-OE2 2.95Å |
| 46 | R | 76.9 | Confident | 80.8 | Confident | 119 Ų | 119 | 46.8 Ų | 46.8 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.4 | -25.9 | 177.6 | -69.7 | -179.3 | -179.1 | -158.7 | -4.6 | 114 | N42 G48 D114 | N42-R46 WeakPolarHBondContact O-CG 3.42Å; N42-R46 PolarHBondContact O-N 3.4Å; N42-R46 PolarHBondContact OD1-NE 3.36Å; R46-G48 PolarHBondContact O-N 3.38Å; R46-D114 IonicContact NH2-OD2 2.71Å |
| 47 | T | 67.5 | Low | 80.3 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -68.9 | 102.4 | 176 | 40.7 | 0 | 0 | 0 | 0 | 109.8 | E43 M44 A51 V52 L89 | E43-T47 WeakPolarHBondContact O-CB 3.46Å; E43-T47 VanDerWaalsContact O-CG2 3.3Å; E43-T47 WeakPolarHBondContact O-CG2 3.12Å; E43-T47 PolarHBondContact O-N 2.9Å; E43-T47 PolarHBondContact O-OG1 3.01Å; M44-T47 PolarHBondContact O-OG1 3.47Å; T47-A51 HydrophobicContact CG2-CB 4.31Å; T47-V52 HydrophobicContact CG2-CG2 4.49Å; T47-L89 HydrophobicContact CG2-CD1 4.29Å |
| 48 | G | 59.3 | Low | 80 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | trans | -56.5 | 163.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | R46 G50 A51 | R46-G48 PolarHBondContact O-N 3.38Å; G48-G50 PolarHBondContact O-N 3.17Å; G48-A51 PolarHBondContact O-N 3.02Å | ||
| 49 | E | 58.4 | Low | 79.7 | Confident | 191 Ų | 191 | 66.4 Ų | 66.4 | 89% | 0.893 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -6.3 | -169.6 | -66.9 | -171 | 148.8 | 0 | 0 | 116.7 | ||
| 50 | G | 62.2 | Low | 79.3 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 81% | 0.814 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -12.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | G48 | G48-G50 PolarHBondContact O-N 3.17Š|
| 51 | A | 69.2 | Low | 79 | Confident | 43 Ų | 43 | 70.5 Ų | 70.5 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -32.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T47 G48 Q88 | T47-A51 HydrophobicContact CG2-CB 4.31Å; G48-A51 PolarHBondContact O-N 3.02Å; A51-Q88 PolarHBondContact O-OE1 3.25Å |
| 52 | V | 75.9 | Confident | 78.6 | Confident | 26 Ų | 26 | 77 Ų | 77 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -116.4 | 123.3 | -176.6 | -176.9 | 0 | 0 | 0 | 0 | 109 | T47 E56 R57 L60 | T47-V52 HydrophobicContact CG2-CG2 4.49Å; V52-E56 HydrophobicContact CG1-CB 3.68Å; V52-R57 HydrophobicContact CG1-CB 4.2Å; V52-L60 HydrophobicContact CG1-CD1 4.21Å |
| 53 | S | 81.7 | Confident | 78.6 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 41% | 0.406 | 41% | 0.407 | S | S | . | . | trans | -65.2 | 156.5 | 177.7 | 71.8 | 0 | 0 | 0 | 0 | 111.6 | M55 E56 R57 | S53-M55 PolarHBondContact O-N 2.95Å; S53-M55 VanDerWaalsContact O-N 3.17Å; S53-E56 VanDerWaalsContact CB-OE2 3.24Å; S53-E56 WeakPolarHBondContact CB-OE2 3.39Å; S53-E56 PolarHBondContact N-OE2 3.45Å; S53-E56 PolarHBondContact O-N 3.45Å; S53-E56 WeakPolarHBondContact OG-CG 3.2Å; S53-E56 PolarHBondContact OG-N 3.45Å; S53-E56 PolarHBondContact OG-OE2 3.3Å; S53-R57 PolarHBondContact O-N 3.49Å | ||
| 54 | L | 81.4 | Confident | 78.5 | Confident | 122 Ų | 122 | 78 Ų | 78 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.4 | -35.6 | 178.9 | -167.4 | 103.8 | 0 | 0 | 0 | 112.6 | R58 | L54-R58 WeakPolarHBondContact O-CG 3.39Å; L54-R58 PolarHBondContact O-N 3.43Å; L54-R58 VanDerWaalsContact O-N 3.09Å |
| 55 | M | 84.4 | Confident | 78.2 | Confident | 107 Ų | 107 | 80.4 Ų | 80.4 | 53% | 0.527 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.2 | -43.5 | 179.5 | -76.6 | -63.5 | -69.5 | 0 | 0 | 112.1 | S53 R57 R58 R59 | S53-M55 PolarHBondContact O-N 2.95Å; S53-M55 VanDerWaalsContact O-N 3.17Å; M55-R57 VanDerWaalsContact C-N 3.33Å; M55-R58 PolarHBondContact O-N 3.11Å; M55-R59 WeakPolarHBondContact O-CG 3.27Å; M55-R59 PolarHBondContact O-N 2.85Å; M55-R59 VanDerWaalsContact O-N 3.08Å |
| 56 | E | 85.3 | Confident | 78.1 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 20% | 0.201 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.7 | -67.6 | 166 | 133.7 | 0 | 0 | 110.6 | V52 S53 R58 R59 L60 S85 C86 | V52-E56 HydrophobicContact CG1-CB 3.68Å; S53-E56 VanDerWaalsContact CB-OE2 3.24Å; S53-E56 WeakPolarHBondContact CB-OE2 3.39Å; S53-E56 PolarHBondContact N-OE2 3.45Å; S53-E56 PolarHBondContact O-N 3.45Å; S53-E56 WeakPolarHBondContact OG-CG 3.2Å; S53-E56 PolarHBondContact OG-N 3.45Å; S53-E56 PolarHBondContact OG-OE2 3.3Å; E56-R58 VanDerWaalsContact C-N 3.3Å; E56-R58 PolarHBondContact O-N 2.95Å; E56-R59 PolarHBondContact O-N 3.31Å; E56-R59 VanDerWaalsContact O-N 3.15Å; E56-L60 WeakPolarHBondContact O-CB 3.23Å; E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 3.29Å; E56-S85 WeakPolarHBondContact CB-O 3.45Å; E56-S85 WeakPolarHBondContact CG-O 3.47Å; E56-C86 HydrophobicContact CB-CB 4.2Å; E56-C86 HydrophobicContact CG-CB 4.47Å |
| 57 | R | 83.1 | Confident | 78.5 | Confident | 129 Ų | 129 | 77.1 Ų | 77.1 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 176.4 | -165.6 | 168.4 | -174.1 | 164.7 | 1.6 | 112.5 | V52 S53 M55 N61 | V52-R57 HydrophobicContact CG1-CB 4.2Å; S53-R57 PolarHBondContact O-N 3.49Å; M55-R57 VanDerWaalsContact C-N 3.33Å; R57-N61 WeakPolarHBondContact O-CB 3.47Å; R57-N61 PolarHBondContact O-N 3.33Å; R57-N61 PolarHBondContact O-ND2 3.22Å |
| 58 | R | 84.1 | Confident | 79.1 | Confident | 153 Ų | 153 | 75.8 Ų | 75.8 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 174 | -77.8 | 178.9 | 177.8 | -176.9 | -0.1 | 112.2 | L54 M55 E56 N61 Q62 | L54-R58 WeakPolarHBondContact O-CG 3.39Å; L54-R58 PolarHBondContact O-N 3.43Å; L54-R58 VanDerWaalsContact O-N 3.09Å; M55-R58 PolarHBondContact O-N 3.11Å; E56-R58 VanDerWaalsContact C-N 3.3Å; E56-R58 PolarHBondContact O-N 2.95Å; R58-N61 PolarHBondContact O-N 3.22Å; R58-Q62 WeakPolarHBondContact O-CG 3.48Å; R58-Q62 PolarHBondContact O-N 3.28Å |
| 59 | R | 85.9 | Confident | 79.7 | Confident | 130 Ų | 130 | 78.8 Ų | 78.8 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 177.1 | -69.8 | 177.5 | -177.1 | 172.5 | 0.4 | 111.5 | M55 E56 N61 Q62 L63 | M55-R59 WeakPolarHBondContact O-CG 3.27Å; M55-R59 PolarHBondContact O-N 2.85Å; M55-R59 VanDerWaalsContact O-N 3.08Å; E56-R59 PolarHBondContact O-N 3.31Å; E56-R59 VanDerWaalsContact O-N 3.15Å; R59-N61 PolarHBondContact O-N 3.15Å; R59-Q62 WeakPolarHBondContact O-CB 3.08Å; R59-Q62 PolarHBondContact O-N 3.07Å; R59-Q62 VanDerWaalsContact O-N 3.16Å; R59-L63 PolarHBondContact O-N 3.24Å |
| 60 | L | 86.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 175.1 | -72.4 | 167.9 | 0 | 0 | 0 | 111.5 | M44 V52 E56 Q62 L63 L64 I82 C86 L89 | M44-L60 HydrophobicContact CE-CB 3.83Å; M44-L60 HydrophobicContact CE-CD1 4.32Å; M44-L60 HydrophobicContact SD-CB 4.32Å; V52-L60 HydrophobicContact CG1-CD1 4.21Å; E56-L60 WeakPolarHBondContact O-CB 3.23Å; E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 3.29Å; L60-Q62 VanDerWaalsContact C-N 3.28Å; L60-Q62 PolarHBondContact O-N 3.44Å; L60-L63 WeakPolarHBondContact O-CA 3.34Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 3.38Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.11Å; L60-I82 HydrophobicContact CD2-CG2 4.47Å; L60-C86 HydrophobicContact CD1-CB 3.88Å; L60-C86 HydrophobicContact CD2-CB 4.44Å; L60-C86 HydrophobicContact CG-CB 4.33Å; L60-L89 HydrophobicContact CD1-CD2 3.49Å; L60-L89 VanDerWaalsContact CD1-CD2 3.49Å; L60-L89 HydrophobicContact CD2-CD2 3.87Å; L60-L89 HydrophobicContact CG-CD2 4.34Å |
| 61 | N | 85.6 | Confident | 80.4 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -34.8 | 177.7 | -74.3 | -20.2 | 0 | 0 | 0 | 113 | R57 R58 R59 L63 | R57-N61 WeakPolarHBondContact O-CB 3.47Å; R57-N61 PolarHBondContact O-N 3.33Å; R57-N61 PolarHBondContact O-ND2 3.22Å; R58-N61 PolarHBondContact O-N 3.22Å; R59-N61 PolarHBondContact O-N 3.15Å; N61-L63 VanDerWaalsContact C-N 3.35Å |
| 62 | Q | 83.2 | Confident | 80.8 | Confident | 150 Ų | 150 | 68.1 Ų | 68.1 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.4 | -35.1 | 173.1 | -73.4 | 175.5 | -21.5 | 0 | 0 | 112 | R58 R59 L60 P66 | R58-Q62 WeakPolarHBondContact O-CG 3.48Å; R58-Q62 PolarHBondContact O-N 3.28Å; R59-Q62 WeakPolarHBondContact O-CB 3.08Å; R59-Q62 PolarHBondContact O-N 3.07Å; R59-Q62 VanDerWaalsContact O-N 3.16Å; L60-Q62 VanDerWaalsContact C-N 3.28Å; L60-Q62 PolarHBondContact O-N 3.44Å; Q62-P66 WeakPolarHBondContact O-CD 3.4Å |
| 63 | L | 87.6 | Confident | 81.1 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.7 | -28.8 | 178 | -172.4 | 68.7 | 0 | 0 | 0 | 113 | R59 L60 N61 L65 P66 L67 L81 | R59-L63 PolarHBondContact O-N 3.24Å; L60-L63 WeakPolarHBondContact O-CA 3.34Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 3.38Å; N61-L63 VanDerWaalsContact C-N 3.35Å; L63-L65 PolarHBondContact O-N 3.37Å; L63-P66 VanDerWaalsContact O-CD 3.31Å; L63-P66 WeakPolarHBondContact O-CD 3.41Å; L63-L67 HydrophobicContact CD1-CG 4.42Å; L63-L67 HydrophobicContact CD2-CD1 3.88Å; L63-L67 HydrophobicContact CG-CD1 3.7Å; L63-L67 HydrophobicContact CG-CG 4Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 3.33Å; L63-L67 VanDerWaalsContact O-N 3.15Å; L63-L81 HydrophobicContact CD1-CB 4.15Å; L63-L81 HydrophobicContact CD1-CD1 4.45Å; L63-L81 HydrophobicContact CD1-CD2 4.24Å; L63-L81 HydrophobicContact CD2-CB 4.07Å |
| 64 | L | 86.8 | Confident | 81.3 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | -176.2 | -75.5 | -178.7 | 0 | 0 | 0 | 113.4 | L40 L41 M44 L60 L67 L68 V132 | L40-L64 HydrophobicContact CD2-CD2 4.34Å; L41-L64 HydrophobicContact CD2-CD1 4.19Å; L41-L64 HydrophobicContact CD2-CD2 3.6Å; M44-L64 HydrophobicContact CE-CD1 4.13Å; M44-L64 HydrophobicContact SD-CD1 4.37Å; M44-L64 HydrophobicContact SD-CD2 4.1Å; M44-L64 HydrophobicContact SD-CG 4.5Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.11Å; L64-L67 PolarHBondContact O-N 3.01Å; L64-L68 HydrophobicContact CB-CD1 4.44Å; L64-L68 WeakPolarHBondContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 3.4Å; L64-V132 HydrophobicContact CD1-CG2 4.32Å |
| 65 | L | 78.7 | Confident | 81.7 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 44% | 0.44 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | -175 | -172.3 | 72.4 | 0 | 0 | 0 | 112 | L63 L67 L68 Q69 V131 | L63-L65 PolarHBondContact O-N 3.37Å; L65-L67 PolarHBondContact O-N 2.93Å; L65-L68 PolarHBondContact O-N 2.74Å; L65-Q69 HydrophobicContact CD1-CG 4.25Å; L65-Q69 WeakPolarHBondContact O-CB 3.33Å; L65-Q69 PolarHBondContact O-N 3.24Å; L65-Q69 VanDerWaalsContact O-N 3.1Å; L65-V131 HydrophobicContact CD1-CG1 4.14Å |
| 66 | P | 77.6 | Confident | 82 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.8 | -40.8 | 169.8 | -26.1 | 33 | 0 | 0 | 0 | 114.3 | Q62 L63 G70 | Q62-P66 WeakPolarHBondContact O-CD 3.4Å; L63-P66 VanDerWaalsContact O-CD 3.31Å; L63-P66 WeakPolarHBondContact O-CD 3.41Å; P66-G70 WeakPolarHBondContact O-CA 3.35Å; P66-G70 PolarHBondContact O-N 2.84Å |
| 67 | L | 85.1 | Confident | 82.2 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.6 | -35.4 | -179.3 | -69.9 | 178.4 | 0 | 0 | 0 | 112.8 | Y33 V37 L40 L63 L64 L65 I73 L78 L81 | Y33-L67 VanDerWaalsContact OH-CA 3.31Å; Y33-L67 WeakPolarHBondContact OH-CA 3.49Å; Y33-L67 WeakPolarHBondContact OH-CD2 3.26Å; Y33-L67 PolarHBondContact OH-O 3.03Å; V37-L67 HydrophobicContact CG2-CB 4.5Å; L40-L67 HydrophobicContact CD2-CD1 3.81Å; L63-L67 HydrophobicContact CD1-CG 4.42Å; L63-L67 HydrophobicContact CD2-CD1 3.88Å; L63-L67 HydrophobicContact CG-CD1 3.7Å; L63-L67 HydrophobicContact CG-CG 4Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 3.33Å; L63-L67 VanDerWaalsContact O-N 3.15Å; L64-L67 PolarHBondContact O-N 3.01Å; L65-L67 PolarHBondContact O-N 2.93Å; L67-I73 HydrophobicContact CD2-CD1 4.1Å; L67-L78 HydrophobicContact CD1-CD1 3.99Å; L67-L78 HydrophobicContact CD2-CD1 3.75Å; L67-L81 HydrophobicContact CD2-CD1 4.39Å |
| 68 | L | 79.6 | Confident | 82.6 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -78.5 | -35 | -177.5 | -65.1 | 170.4 | 0 | 0 | 0 | 113 | V37 L41 L64 L65 V131 V132 F135 | V37-L68 HydrophobicContact CG1-CD2 3.8Å; L41-L68 HydrophobicContact CD1-CD2 4.16Å; L64-L68 HydrophobicContact CB-CD1 4.44Å; L64-L68 WeakPolarHBondContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 3.4Å; L65-L68 PolarHBondContact O-N 2.74Å; L68-V131 HydrophobicContact CD1-CG1 4.38Å; L68-V132 HydrophobicContact CD1-CG2 4.03Å; L68-F135 HydrophobicContact CB-CD2 4.42Å; L68-F135 HydrophobicContact CD2-CB 4.09Å; L68-F135 HydrophobicContact CD2-CD1 3.4Å; L68-F135 HydrophobicContact CD2-CD2 3.78Å; L68-F135 HydrophobicContact CD2-CE1 3.61Å; L68-F135 HydrophobicContact CD2-CE2 3.98Å; L68-F135 HydrophobicContact CD2-CG 3.49Å; L68-F135 VanDerWaalsContact CD2-CG 3.49Å; L68-F135 HydrophobicContact CD2-CZ 3.9Å |
| 69 | Q | 72 | Confident | 83 | Confident | 114 Ų | 114 | 50.2 Ų | 50.2 | 53% | 0.533 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -102.2 | -20.1 | -175.3 | -63.3 | -175 | -23.2 | 0 | 0 | 113.4 | L65 | L65-Q69 HydrophobicContact CD1-CG 4.25Å; L65-Q69 WeakPolarHBondContact O-CB 3.33Å; L65-Q69 PolarHBondContact O-N 3.24Å; L65-Q69 VanDerWaalsContact O-N 3.1Å |
| 70 | G | 66 | Low | 83.2 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -79.8 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P66 | P66-G70 WeakPolarHBondContact O-CA 3.35Å; P66-G70 PolarHBondContact O-N 2.84Å |
| 71 | P | 69 | Low | 83.5 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | trans | -71.2 | 152.8 | 178.4 | 30.3 | -34.3 | 0 | 0 | 0 | 111.7 | I73 Q211 F214 | P71-I73 PolarHBondContact O-N 3.07Å; P71-Q211 HydrophobicContact CB-CB 4.1Å; P71-Q211 HydrophobicContact CB-CG 3.68Å; P71-F214 HydrophobicContact CG-CD1 4.27Å; P71-F214 HydrophobicContact CG-CE1 4.4Å | ||
| 72 | D | 77.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | trans | -55.1 | 134.2 | 170.1 | -52.3 | 7.9 | 0 | 0 | 0 | 110.4 | T31 Y33 Q211 | T31-D72 WeakPolarHBondContact CB-OD2 3.26Å; T31-D72 WeakPolarHBondContact CG2-OD2 3.43Å; T31-D72 PolarHBondContact OG1-OD2 3.35Å; Y33-D72 HydrophobicContact CD1-CB 3.54Å; Y33-D72 VanDerWaalsContact CD1-CG 3.46Å; Y33-D72 WeakPolarHBondContact CD1-OD1 3.24Å; Y33-D72 HydrophobicContact CE1-CB 4.36Å; Y33-D72 HydrophobicContact CG-CB 3.63Å; D72-Q211 HydrophobicContact CB-CG 4.03Å; D72-Q211 VanDerWaalsContact CB-NE2 3.28Å; D72-Q211 PolarHBondContact O-NE2 3.25Å | ||
| 73 | I | 82.8 | Confident | 84.1 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | trans | -116.3 | 163.4 | 178.5 | 52.9 | 170.1 | 0 | 0 | 0 | 110.2 | Y33 L67 P71 K77 L78 L81 Y161 | Y33-I73 HydrophobicContact CD2-CG1 3.75Å; Y33-I73 HydrophobicContact CE2-CD1 4.08Å; Y33-I73 HydrophobicContact CE2-CG1 3.31Å; L67-I73 HydrophobicContact CD2-CD1 4.1Å; P71-I73 PolarHBondContact O-N 3.07Å; I73-K77 HydrophobicContact CB-CB 4.48Å; I73-K77 HydrophobicContact CB-CD 4.34Å; I73-K77 HydrophobicContact CD1-CB 4.38Å; I73-K77 HydrophobicContact CD1-CG 4.23Å; I73-K77 HydrophobicContact CG2-CD 4.27Å; I73-L78 HydrophobicContact CD1-CB 3.84Å; I73-L78 HydrophobicContact CD1-CD1 4.23Å; I73-L78 HydrophobicContact CG1-CB 4.16Å; I73-L81 HydrophobicContact CD1-CD1 3.72Å; I73-Y161 WeakPolarHBondContact O-CE2 3.43Å; I73-Y161 PolarHBondContact O-OH 3.17Å | ||
| 74 | T | 86.5 | Confident | 84.2 | Confident | 70 Ų | 70 | 50.9 Ų | 50.9 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | trans | -62.8 | 150.9 | 173.9 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | S76 K77 L78 | T74-S76 PolarHBondContact O-N 3.49Å; T74-S76 PolarHBondContact OG1-OG 2.88Å; T74-K77 PolarHBondContact O-N 3.49Å; T74-K77 VanDerWaalsContact O-N 3.12Å; T74-K77 WeakPolarHBondContact OG1-CB 3.4Å; T74-L78 PolarHBondContact O-N 2.93Å | ||
| 75 | L | 89.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.3 | -38.3 | -179.1 | -173.9 | 54.9 | 0 | 0 | 0 | 111.9 | A36 K77 L78 Y79 I97 Y161 F162 | A36-L75 HydrophobicContact CB-CD1 4.37Å; L75-K77 PolarHBondContact O-N 3.38Å; L75-L78 PolarHBondContact O-N 3.39Å; L75-Y79 HydrophobicContact CD1-CD1 4.37Å; L75-Y79 HydrophobicContact CD1-CD2 4.26Å; L75-Y79 HydrophobicContact CD1-CE1 3.78Å; L75-Y79 HydrophobicContact CD1-CE2 3.69Å; L75-Y79 WeakPolarHBondContact CD1-OH 3.25Å; L75-Y79 HydrophobicContact CD2-CE2 3.79Å; L75-Y79 HydrophobicContact CG-CD2 3.95Å; L75-Y79 HydrophobicContact CG-CE1 4.4Å; L75-Y79 HydrophobicContact CG-CE2 3.36Å; L75-Y79 WeakPolarHBondContact O-CD2 3.47Å; L75-Y79 PolarHBondContact O-N 3.12Å; L75-I97 HydrophobicContact CD1-CD1 3.88Å; L75-I97 HydrophobicContact CD2-CG2 4.25Å; L75-Y161 WeakPolarHBondContact CA-OH 3.31Å; L75-Y161 HydrophobicContact CB-CD1 4.14Å; L75-Y161 HydrophobicContact CB-CE1 3.64Å; L75-Y161 HydrophobicContact CB-CE2 4.19Å; L75-Y161 HydrophobicContact CD1-CE1 3.75Å; L75-Y161 HydrophobicContact CD2-CD1 4.33Å; L75-Y161 HydrophobicContact CD2-CE1 4.33Å; L75-Y161 HydrophobicContact CG-CE1 4.09Å; L75-Y161 PolarHBondContact N-OH 2.92Å; L75-F162 HydrophobicContact CD2-CD2 4Å |
| 76 | S | 89.4 | Confident | 84.8 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | T74 Y79 K80 | T74-S76 PolarHBondContact O-N 3.49Å; T74-S76 PolarHBondContact OG1-OG 2.88Å; S76-Y79 PolarHBondContact O-N 3.4Å; S76-K80 PolarHBondContact O-N 3.48Å |
| 77 | K | 88.9 | Confident | 85.2 | Confident | 102 Ų | 102 | 46 Ų | 46 | 44% | 0.443 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 178.5 | -172.3 | 171.6 | -176.4 | 169.4 | 0 | 111.2 | I73 T74 L75 K80 L81 | I73-K77 HydrophobicContact CB-CB 4.48Å; I73-K77 HydrophobicContact CB-CD 4.34Å; I73-K77 HydrophobicContact CD1-CB 4.38Å; I73-K77 HydrophobicContact CD1-CG 4.23Å; I73-K77 HydrophobicContact CG2-CD 4.27Å; T74-K77 PolarHBondContact O-N 3.49Å; T74-K77 VanDerWaalsContact O-N 3.12Å; T74-K77 WeakPolarHBondContact OG1-CB 3.4Å; L75-K77 PolarHBondContact O-N 3.38Å; K77-K80 PolarHBondContact O-N 3.07Å; K77-L81 HydrophobicContact CG-CD1 4.45Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 2.88Å; K77-L81 VanDerWaalsContact O-N 3.07Å |
| 78 | L | 91.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 175 | 178.4 | 59.9 | 0 | 0 | 0 | 111 | Y33 A36 L67 I73 T74 L75 K80 L81 I82 | Y33-L78 HydrophobicContact CD2-CD2 4.13Å; Y33-L78 HydrophobicContact CE2-CD1 4.22Å; Y33-L78 HydrophobicContact CE2-CD2 4.13Å; A36-L78 HydrophobicContact CB-CD2 3.49Å; A36-L78 VanDerWaalsContact CB-CD2 3.49Å; L67-L78 HydrophobicContact CD1-CD1 3.99Å; L67-L78 HydrophobicContact CD2-CD1 3.75Å; I73-L78 HydrophobicContact CD1-CB 3.84Å; I73-L78 HydrophobicContact CD1-CD1 4.23Å; I73-L78 HydrophobicContact CG1-CB 4.16Å; T74-L78 PolarHBondContact O-N 2.93Å; L75-L78 PolarHBondContact O-N 3.39Å; L78-K80 PolarHBondContact O-N 3.47Å; L78-L81 PolarHBondContact O-N 3.19Å; L78-I82 HydrophobicContact CD1-CD1 3.79Å; L78-I82 HydrophobicContact CD1-CG1 4.2Å; L78-I82 HydrophobicContact CG-CD1 3.77Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.28Å; L78-I82 PolarHBondContact O-N 3.24Å |
| 79 | Y | 92.1 | Very high | 85.6 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 176.5 | -70.8 | -35.6 | 0 | 0 | 0 | 112.1 | L75 S76 L81 I82 E83 V93 Q94 I97 | L75-Y79 HydrophobicContact CD1-CD1 4.37Å; L75-Y79 HydrophobicContact CD1-CD2 4.26Å; L75-Y79 HydrophobicContact CD1-CE1 3.78Å; L75-Y79 HydrophobicContact CD1-CE2 3.69Å; L75-Y79 WeakPolarHBondContact CD1-OH 3.25Å; L75-Y79 HydrophobicContact CD2-CE2 3.79Å; L75-Y79 HydrophobicContact CG-CD2 3.95Å; L75-Y79 HydrophobicContact CG-CE1 4.4Å; L75-Y79 HydrophobicContact CG-CE2 3.36Å; L75-Y79 WeakPolarHBondContact O-CD2 3.47Å; L75-Y79 PolarHBondContact O-N 3.12Å; S76-Y79 PolarHBondContact O-N 3.4Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 3.13Å; Y79-I82 PolarHBondContact O-N 2.95Å; Y79-I82 VanDerWaalsContact O-N 3.13Å; Y79-E83 VanDerWaalsContact O-CB 3.26Å; Y79-E83 WeakPolarHBondContact O-CB 3.29Å; Y79-E83 PolarHBondContact O-N 3.48Å; Y79-V93 HydrophobicContact CE1-CG1 4.1Å; Y79-Q94 HydrophobicContact CD1-CB 4.46Å; Y79-Q94 HydrophobicContact CE1-CB 3.8Å; Y79-Q94 HydrophobicContact CE1-CG 4.32Å; Y79-Q94 HydrophobicContact CE2-CB 4.32Å; Y79-Q94 HydrophobicContact CE2-CG 3.94Å; Y79-Q94 WeakPolarHBondContact OH-CA 3.4Å; Y79-I97 HydrophobicContact CE1-CD1 4.14Å |
| 80 | K | 90.9 | Very high | 86.5 | Confident | 131 Ų | 131 | 45.9 Ų | 45.9 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -56.5 | -45.1 | 177.7 | -170.2 | 176.2 | -180 | 176.3 | 0 | 112.2 | S76 K77 L78 I82 E83 E84 | S76-K80 PolarHBondContact O-N 3.48Å; K77-K80 PolarHBondContact O-N 3.07Å; L78-K80 PolarHBondContact O-N 3.47Å; K80-I82 PolarHBondContact O-N 3.42Å; K80-E83 PolarHBondContact O-N 2.95Å; K80-E84 WeakPolarHBondContact CE-OE1 3.31Å; K80-E84 WeakPolarHBondContact O-CB 3.47Å; K80-E84 VanDerWaalsContact O-CG 3.29Å; K80-E84 WeakPolarHBondContact O-CG 3.42Å; K80-E84 PolarHBondContact O-N 3.23Å |
| 81 | L | 91.6 | Very high | 87.5 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.5 | -72.2 | 170.1 | 0 | 0 | 0 | 113 | L63 L67 I73 K77 L78 Y79 S85 | L63-L81 HydrophobicContact CD1-CB 4.15Å; L63-L81 HydrophobicContact CD1-CD1 4.45Å; L63-L81 HydrophobicContact CD1-CD2 4.24Å; L63-L81 HydrophobicContact CD2-CB 4.07Å; L67-L81 HydrophobicContact CD2-CD1 4.39Å; I73-L81 HydrophobicContact CD1-CD1 3.72Å; K77-L81 HydrophobicContact CG-CD1 4.45Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 2.88Å; K77-L81 VanDerWaalsContact O-N 3.07Å; L78-L81 PolarHBondContact O-N 3.19Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 3.13Å; L81-S85 PolarHBondContact O-OG 3.31Å; L81-S85 VanDerWaalsContact O-OG 3.05Å |
| 82 | I | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.5 | -42 | 177.3 | -60.6 | 162.3 | 0 | 0 | 0 | 110 | L40 L60 L78 Y79 K80 S85 C86 L89 A90 V93 | L40-I82 HydrophobicContact CD1-CD1 4.01Å; L40-I82 HydrophobicContact CD1-CG1 4.14Å; L40-I82 HydrophobicContact CD1-CG2 3.98Å; L40-I82 HydrophobicContact CD2-CD1 4.05Å; L40-I82 HydrophobicContact CD2-CG1 4.08Å; L40-I82 HydrophobicContact CG-CD1 4.42Å; L60-I82 HydrophobicContact CD2-CG2 4.47Å; L78-I82 HydrophobicContact CD1-CD1 3.79Å; L78-I82 HydrophobicContact CD1-CG1 4.2Å; L78-I82 HydrophobicContact CG-CD1 3.77Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.28Å; L78-I82 PolarHBondContact O-N 3.24Å; Y79-I82 PolarHBondContact O-N 2.95Å; Y79-I82 VanDerWaalsContact O-N 3.13Å; K80-I82 PolarHBondContact O-N 3.42Å; I82-S85 CarbonylContact O-C 3.57Å; I82-S85 WeakPolarHBondContact O-CA 3.33Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 3.07Å; I82-C86 CarbonylContact O-C 3.52Å; I82-C86 PolarHBondContact O-N 2.93Å; I82-L89 HydrophobicContact CG2-CB 4.49Å; I82-L89 HydrophobicContact CG2-CG 4.49Å; I82-A90 HydrophobicContact CB-CB 4.22Å; I82-A90 HydrophobicContact CG2-CB 3.85Å; I82-V93 HydrophobicContact CD1-CG1 4.4Å |
| 83 | E | 91.5 | Very high | 89.2 | Confident | 109 Ų | 109 | 47.8 Ų | 47.8 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -43.1 | -178.9 | -174.4 | 177.5 | -165.7 | 0 | 0 | 111.8 | Y79 K80 S85 C86 P87 A90 | Y79-E83 VanDerWaalsContact O-CB 3.26Å; Y79-E83 WeakPolarHBondContact O-CB 3.29Å; Y79-E83 PolarHBondContact O-N 3.48Å; K80-E83 PolarHBondContact O-N 2.95Å; E83-S85 PolarHBondContact O-N 3.38Å; E83-C86 PolarHBondContact O-N 3.3Å; E83-P87 HydrophobicContact CG-CB 4.37Å; E83-P87 WeakPolarHBondContact O-CD 3.35Å; E83-P87 WeakPolarHBondContact O-CG 3.49Å; E83-A90 HydrophobicContact CB-CB 3.92Å |
| 84 | E | 89.5 | Confident | 89.6 | Confident | 120 Ų | 120 | 50 Ų | 50 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.5 | -28.6 | 172.2 | -74.9 | 172.3 | -170.9 | 0 | 0 | 112.6 | K80 | K80-E84 WeakPolarHBondContact CE-OE1 3.31Å; K80-E84 WeakPolarHBondContact O-CB 3.47Å; K80-E84 VanDerWaalsContact O-CG 3.29Å; K80-E84 WeakPolarHBondContact O-CG 3.42Å; K80-E84 PolarHBondContact O-N 3.23Å |
| 85 | S | 88.1 | Confident | 89.9 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -89.3 | -44.5 | 179.5 | -60.5 | 0 | 0 | 0 | 0 | 113 | E56 L81 I82 E83 | E56-S85 WeakPolarHBondContact CB-O 3.45Å; E56-S85 WeakPolarHBondContact CG-O 3.47Å; L81-S85 PolarHBondContact O-OG 3.31Å; L81-S85 VanDerWaalsContact O-OG 3.05Å; I82-S85 CarbonylContact O-C 3.57Å; I82-S85 WeakPolarHBondContact O-CA 3.33Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 3.07Å; E83-S85 PolarHBondContact O-N 3.38Å |
| 86 | C | 89 | Confident | 89.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -162.5 | 101 | -177.9 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | E56 L60 I82 E83 Q88 L89 A90 | E56-C86 HydrophobicContact CB-CB 4.2Å; E56-C86 HydrophobicContact CG-CB 4.47Å; L60-C86 HydrophobicContact CD1-CB 3.88Å; L60-C86 HydrophobicContact CD2-CB 4.44Å; L60-C86 HydrophobicContact CG-CB 4.33Å; I82-C86 CarbonylContact O-C 3.52Å; I82-C86 PolarHBondContact O-N 2.93Å; E83-C86 PolarHBondContact O-N 3.3Å; C86-Q88 PolarHBondContact O-N 2.9Å; C86-L89 HydrophobicContact CB-CB 4Å; C86-L89 PolarHBondContact O-N 3.38Å; C86-A90 PolarHBondContact O-N 3.28Å; C86-A90 VanDerWaalsContact O-N 3.1Å | ||
| 87 | P | 86.5 | Confident | 90.1 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | -177.1 | -24.5 | 32.9 | 0 | 0 | 0 | 114.3 | E83 L89 A90 N91 | E83-P87 HydrophobicContact CG-CB 4.37Å; E83-P87 WeakPolarHBondContact O-CD 3.35Å; E83-P87 WeakPolarHBondContact O-CG 3.49Å; P87-L89 VanDerWaalsContact C-N 3.32Å; P87-L89 PolarHBondContact O-N 2.94Å; P87-A90 WeakPolarHBondContact O-CB 3.12Å; P87-A90 PolarHBondContact O-N 3.02Å; P87-N91 PolarHBondContact O-N 2.95Å; P87-N91 VanDerWaalsContact O-N 3.1Å; P87-N91 PolarHBondContact O-ND2 3.37Å |
| 88 | Q | 85.8 | Confident | 90.2 | Very high | 123 Ų | 123 | 52 Ų | 52 | 58% | 0.575 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 179.7 | -64.5 | -178.4 | 8 | 0 | 0 | 111.3 | A51 C86 N91 S92 | A51-Q88 PolarHBondContact O-OE1 3.25Å; C86-Q88 PolarHBondContact O-N 2.9Å; Q88-N91 PolarHBondContact O-N 3.46Å; Q88-S92 PolarHBondContact O-N 3.2Å; Q88-S92 VanDerWaalsContact O-N 3.17Å; Q88-S92 PolarHBondContact O-OG 3.31Å |
| 89 | L | 88.1 | Confident | 90.2 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 178 | -169.9 | 68.2 | 0 | 0 | 0 | 111.4 | L40 E43 M44 T47 L60 I82 C86 P87 N91 S92 V93 | L40-L89 HydrophobicContact CD1-CD2 3.52Å; L40-L89 HydrophobicContact CD1-CG 3.97Å; E43-L89 HydrophobicContact CB-CD1 3.53Å; M44-L89 HydrophobicContact CG-CD1 4.39Å; M44-L89 HydrophobicContact CG-CD2 3.55Å; M44-L89 HydrophobicContact SD-CD2 4.41Å; T47-L89 HydrophobicContact CG2-CD1 4.29Å; L60-L89 HydrophobicContact CD1-CD2 3.49Å; L60-L89 VanDerWaalsContact CD1-CD2 3.49Å; L60-L89 HydrophobicContact CD2-CD2 3.87Å; L60-L89 HydrophobicContact CG-CD2 4.34Å; I82-L89 HydrophobicContact CG2-CB 4.49Å; I82-L89 HydrophobicContact CG2-CG 4.49Å; C86-L89 HydrophobicContact CB-CB 4Å; C86-L89 PolarHBondContact O-N 3.38Å; P87-L89 VanDerWaalsContact C-N 3.32Å; P87-L89 PolarHBondContact O-N 2.94Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.49Å; L89-S92 PolarHBondContact O-N 3Å; L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.05Å; L89-V93 PolarHBondContact O-N 3.07Å |
| 90 | A | 89.1 | Confident | 90.2 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I82 E83 C86 P87 V93 Q94 | I82-A90 HydrophobicContact CB-CB 4.22Å; I82-A90 HydrophobicContact CG2-CB 3.85Å; E83-A90 HydrophobicContact CB-CB 3.92Å; C86-A90 PolarHBondContact O-N 3.28Å; C86-A90 VanDerWaalsContact O-N 3.1Å; P87-A90 WeakPolarHBondContact O-CB 3.12Å; P87-A90 PolarHBondContact O-N 3.02Å; A90-V93 PolarHBondContact O-N 3.29Å; A90-Q94 WeakPolarHBondContact O-CB 3.27Å; A90-Q94 PolarHBondContact O-N 3.01Å |
| 91 | N | 88.8 | Confident | 90.2 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.1 | -71.2 | -26.6 | 0 | 0 | 0 | 112.5 | P87 Q88 L89 V93 Q94 I95 | P87-N91 PolarHBondContact O-N 2.95Å; P87-N91 VanDerWaalsContact O-N 3.1Å; P87-N91 PolarHBondContact O-ND2 3.37Å; Q88-N91 PolarHBondContact O-N 3.46Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.49Å; N91-V93 PolarHBondContact O-N 3.33Å; N91-Q94 PolarHBondContact O-N 3.22Å; N91-I95 VanDerWaalsContact O-CG1 3.28Å; N91-I95 WeakPolarHBondContact O-CG1 3.24Å; N91-I95 PolarHBondContact O-N 3.49Å |
| 92 | S | 90.1 | Very high | 90.2 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | Q88 L89 Q94 I95 R96 | Q88-S92 PolarHBondContact O-N 3.2Å; Q88-S92 VanDerWaalsContact O-N 3.17Å; Q88-S92 PolarHBondContact O-OG 3.31Å; L89-S92 PolarHBondContact O-N 3Å; S92-Q94 VanDerWaalsContact C-N 3.33Å; S92-Q94 PolarHBondContact O-N 2.84Å; S92-I95 PolarHBondContact O-N 3.41Å; S92-R96 PolarHBondContact O-N 3.45Å |
| 93 | V | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | V39 L40 E43 Y79 I82 L89 A90 N91 R96 I97 | V39-V93 HydrophobicContact CB-CG1 4.45Å; V39-V93 HydrophobicContact CG1-CB 4.27Å; V39-V93 HydrophobicContact CG1-CG1 3.94Å; V39-V93 HydrophobicContact CG1-CG2 4.29Å; L40-V93 HydrophobicContact CB-CG2 4.16Å; L40-V93 HydrophobicContact CD1-CG2 4.03Å; E43-V93 HydrophobicContact CB-CG2 4.24Å; E43-V93 HydrophobicContact CG-CG2 4.07Å; Y79-V93 HydrophobicContact CE1-CG1 4.1Å; I82-V93 HydrophobicContact CD1-CG1 4.4Å; L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.05Å; L89-V93 PolarHBondContact O-N 3.07Å; A90-V93 PolarHBondContact O-N 3.29Å; N91-V93 PolarHBondContact O-N 3.33Å; V93-R96 PolarHBondContact O-N 3.06Å; V93-I97 HydrophobicContact CG1-CD1 3.64Å; V93-I97 HydrophobicContact CG1-CG1 4.38Å; V93-I97 VanDerWaalsContact O-CG1 3.29Å; V93-I97 WeakPolarHBondContact O-CG1 3.49Å; V93-I97 PolarHBondContact O-N 3.45Å |
| 94 | Q | 91.7 | Very high | 90.1 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 178.6 | -174.5 | 179.7 | 9.9 | 0 | 0 | 112.7 | Y79 A90 N91 S92 R96 I97 K98 | Y79-Q94 HydrophobicContact CD1-CB 4.46Å; Y79-Q94 HydrophobicContact CE1-CB 3.8Å; Y79-Q94 HydrophobicContact CE1-CG 4.32Å; Y79-Q94 HydrophobicContact CE2-CB 4.32Å; Y79-Q94 HydrophobicContact CE2-CG 3.94Å; Y79-Q94 WeakPolarHBondContact OH-CA 3.4Å; A90-Q94 WeakPolarHBondContact O-CB 3.27Å; A90-Q94 PolarHBondContact O-N 3.01Å; N91-Q94 PolarHBondContact O-N 3.22Å; S92-Q94 VanDerWaalsContact C-N 3.33Å; S92-Q94 PolarHBondContact O-N 2.84Å; Q94-R96 PolarHBondContact O-N 3.1Å; Q94-I97 PolarHBondContact O-N 2.97Å; Q94-K98 VanDerWaalsContact O-CB 3.3Å; Q94-K98 WeakPolarHBondContact O-CB 3.42Å; Q94-K98 PolarHBondContact O-N 3.3Å |
| 95 | I | 91.2 | Very high | 90.1 | Very high | 102 Ų | 102 | 51.1 Ų | 51.1 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 178.1 | -67.9 | 164.8 | 0 | 0 | 0 | 110.4 | N91 S92 K98 L99 | N91-I95 VanDerWaalsContact O-CG1 3.28Å; N91-I95 WeakPolarHBondContact O-CG1 3.24Å; N91-I95 PolarHBondContact O-N 3.49Å; S92-I95 PolarHBondContact O-N 3.41Å; I95-K98 WeakPolarHBondContact O-CB 3.48Å; I95-K98 PolarHBondContact O-N 2.92Å; I95-L99 HydrophobicContact CG2-CD1 3.99Å; I95-L99 HydrophobicContact CG2-CG 4.41Å; I95-L99 WeakPolarHBondContact O-CG 3.23Å; I95-L99 PolarHBondContact O-N 3Å |
| 96 | R | 90.9 | Very high | 90.3 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 26% | 0.26 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | -178.4 | -179.1 | 150 | -70.5 | 157.8 | 17.5 | 112.6 | V39 E43 S92 V93 Q94 K98 L99 M100 | V39-R96 HydrophobicContact CG1-CB 3.81Å; V39-R96 HydrophobicContact CG1-CG 3.83Å; V39-R96 HydrophobicContact CG2-CG 4.26Å; E43-R96 IonicContact OE1-CZ 3.67Å; E43-R96 IonicContact OE1-NE 3.76Å; E43-R96 PolarHBondContact OE1-NE 3.19Å; E43-R96 IonicContact OE1-NH1 3.78Å; E43-R96 PolarHBondContact OE1-NH1 3.36Å; E43-R96 IonicContact OE1-NH2 2.66Å; E43-R96 PolarHBondContact OE1-NH2 3.3Å; S92-R96 PolarHBondContact O-N 3.45Å; V93-R96 PolarHBondContact O-N 3.06Å; Q94-R96 PolarHBondContact O-N 3.1Å; R96-K98 VanDerWaalsContact C-N 3.32Å; R96-L99 PolarHBondContact O-N 3.32Å; R96-M100 WeakPolarHBondContact O-CG 3.22Å; R96-M100 PolarHBondContact O-N 3.49Å; R96-M100 VanDerWaalsContact O-N 3.12Å |
| 97 | I | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.7 | -67 | 169.6 | 0 | 0 | 0 | 110.4 | A36 V39 L75 Y79 V93 Q94 M100 A101 F162 | A36-I97 HydrophobicContact CB-CD1 3.44Å; A36-I97 VanDerWaalsContact CB-CD1 3.44Å; A36-I97 HydrophobicContact CB-CG1 4.41Å; V39-I97 HydrophobicContact CB-CG1 4.38Å; V39-I97 HydrophobicContact CG1-CG1 4.31Å; V39-I97 HydrophobicContact CG2-CG1 4.17Å; L75-I97 HydrophobicContact CD1-CD1 3.88Å; L75-I97 HydrophobicContact CD2-CG2 4.25Å; Y79-I97 HydrophobicContact CE1-CD1 4.14Å; V93-I97 HydrophobicContact CG1-CD1 3.64Å; V93-I97 HydrophobicContact CG1-CG1 4.38Å; V93-I97 VanDerWaalsContact O-CG1 3.29Å; V93-I97 WeakPolarHBondContact O-CG1 3.49Å; V93-I97 PolarHBondContact O-N 3.45Å; Q94-I97 PolarHBondContact O-N 2.97Å; I97-M100 PolarHBondContact O-N 3.37Å; I97-A101 VanDerWaalsContact O-CB 3.32Å; I97-A101 WeakPolarHBondContact O-CB 3.17Å; I97-A101 PolarHBondContact O-N 2.96Å; I97-F162 HydrophobicContact CG2-CD2 3.98Å |
| 98 | K | 92.5 | Very high | 90.7 | Very high | 79 Ų | 79 | 55.7 Ų | 55.7 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 176.1 | -179.8 | 168.3 | -173.2 | 156.1 | 0 | 112 | Q94 I95 R96 M100 A101 E102 F162 E166 | Q94-K98 VanDerWaalsContact O-CB 3.3Å; Q94-K98 WeakPolarHBondContact O-CB 3.42Å; Q94-K98 PolarHBondContact O-N 3.3Å; I95-K98 WeakPolarHBondContact O-CB 3.48Å; I95-K98 PolarHBondContact O-N 2.92Å; R96-K98 VanDerWaalsContact C-N 3.32Å; K98-M100 VanDerWaalsContact C-N 3.3Å; K98-M100 PolarHBondContact O-N 3.33Å; K98-A101 PolarHBondContact O-N 2.97Å; K98-E102 WeakPolarHBondContact CE-OE1 3.5Å; K98-E102 WeakPolarHBondContact CE-OE2 3.45Å; K98-E102 HydrophobicContact CG-CG 4.28Å; K98-E102 WeakPolarHBondContact CG-OE2 3.48Å; K98-E102 IonicContact NZ-OE1 3.5Å; K98-E102 WeakPolarHBondContact O-CB 2.94Å; K98-E102 PolarHBondContact O-N 3.5Å; K98-F162 HydrophobicContact CB-CE2 3.72Å; K98-F162 HydrophobicContact CB-CZ 3.73Å; K98-F162 HydrophobicContact CD-CZ 3.98Å; K98-F162 HydrophobicContact CG-CE1 4.31Å; K98-F162 HydrophobicContact CG-CE2 4.13Å; K98-F162 HydrophobicContact CG-CZ 3.59Å; K98-E166 IonicContact NZ-OE1 2.69Å |
| 99 | L | 91.5 | Very high | 90.9 | Very high | 113 Ų | 113 | 53 Ų | 53 | 59% | 0.592 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | 178.6 | -73.2 | 170.9 | 0 | 0 | 0 | 112.4 | I95 R96 G103 | I95-L99 HydrophobicContact CG2-CD1 3.99Å; I95-L99 HydrophobicContact CG2-CG 4.41Å; I95-L99 WeakPolarHBondContact O-CG 3.23Å; I95-L99 PolarHBondContact O-N 3Å; R96-L99 PolarHBondContact O-N 3.32Å; L99-G103 PolarHBondContact O-N 3.45Å |
| 100 | M | 92.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71 | -38.9 | 176.6 | -67.7 | -174 | -47.4 | 0 | 0 | 112.8 | I35 V39 R96 I97 K98 F111 Y155 L158 | I35-M100 HydrophobicContact CG2-CE 3.67Å; V39-M100 HydrophobicContact CG2-CE 3.63Å; R96-M100 WeakPolarHBondContact O-CG 3.22Å; R96-M100 PolarHBondContact O-N 3.49Å; R96-M100 VanDerWaalsContact O-N 3.12Å; I97-M100 PolarHBondContact O-N 3.37Å; K98-M100 VanDerWaalsContact C-N 3.3Å; K98-M100 PolarHBondContact O-N 3.33Å; M100-F111 HydrophobicContact SD-CB 3.71Å; M100-F111 HydrophobicContact SD-CD1 3.84Å; M100-F111 HydrophobicContact SD-CD2 4.05Å; M100-F111 HydrophobicContact SD-CE1 4.45Å; M100-F111 HydrophobicContact SD-CG 3.6Å; M100-F111 VanDerWaalsContact SD-CG 3.6Å; M100-Y155 VanDerWaalsContact O-CE2 3.31Å; M100-Y155 WeakPolarHBondContact O-CE2 3.1Å; M100-Y155 PolarHBondContact O-OH 3.27Å; M100-L158 HydrophobicContact CB-CD2 4.36Å; M100-L158 HydrophobicContact CE-CD2 4.46Å |
| 101 | A | 90.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.8 | -37 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I97 K98 Q159 F162 | I97-A101 VanDerWaalsContact O-CB 3.32Å; I97-A101 WeakPolarHBondContact O-CB 3.17Å; I97-A101 PolarHBondContact O-N 2.96Å; K98-A101 PolarHBondContact O-N 2.97Å; A101-Q159 WeakPolarHBondContact O-CG 3.49Å; A101-Q159 PolarHBondContact O-NE2 3.2Å; A101-Q159 VanDerWaalsContact O-NE2 3.14Å; A101-F162 HydrophobicContact CB-CB 3.68Å; A101-F162 HydrophobicContact CB-CD1 4.01Å; A101-F162 HydrophobicContact CB-CD2 4.39Å; A101-F162 HydrophobicContact CB-CG 3.76Å |
| 102 | E | 91.8 | Very high | 91.3 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 54% | 0.542 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -84.5 | -15.7 | 178.1 | -66.7 | -177.2 | 159 | 0 | 0 | 113.3 | K98 F162 | K98-E102 WeakPolarHBondContact CE-OE1 3.5Å; K98-E102 WeakPolarHBondContact CE-OE2 3.45Å; K98-E102 HydrophobicContact CG-CG 4.28Å; K98-E102 WeakPolarHBondContact CG-OE2 3.48Å; K98-E102 IonicContact NZ-OE1 3.5Å; K98-E102 WeakPolarHBondContact O-CB 2.94Å; K98-E102 PolarHBondContact O-N 3.5Å; E102-F162 HydrophobicContact CG-CE1 4.11Å |
| 103 | G | 90.4 | Very high | 91.3 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -79.4 | -145.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L99 D107 Y155 | L99-G103 PolarHBondContact O-N 3.45Å; G103-D107 WeakPolarHBondContact CA-OD2 3.47Å; G103-Y155 PolarHBondContact O-OH 3.47Å |
| 104 | E | 90.5 | Very high | 91 | Very high | 112 Ų | 112 | 59.3 Ų | 59.3 | 52% | 0.523 | 29% | 0.293 | S | S | . | . | trans | -108.9 | 162.9 | 176.9 | -70.8 | 177.4 | -158.2 | 0 | 0 | 111.4 | K106 D107 | E104-K106 HydrophobicContact CB-CD 4.29Å; E104-K106 HydrophobicContact CB-CG 3.98Å; E104-K106 VanDerWaalsContact CD-NZ 3.29Å; E104-K106 PolarHBondContact O-N 3.14Å; E104-K106 VanDerWaalsContact O-N 3.07Å; E104-K106 IonicContact OE1-NZ 2.64Å; E104-K106 PolarHBondContact OE1-NZ 2.88Å; E104-K106 WeakPolarHBondContact OE2-CD 3.33Å; E104-K106 WeakPolarHBondContact OE2-CE 3.44Å; E104-K106 IonicContact OE2-NZ 2.98Å; E104-K106 PolarHBondContact OE2-NZ 3.13Å; E104-D107 PolarHBondContact N-OD2 3.4Å; E104-D107 WeakPolarHBondContact O-CB 3.41Å; E104-D107 PolarHBondContact O-N 3.39Å | ||
| 105 | L | 90.3 | Very high | 90.8 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.2 | -36.7 | 177.3 | -175.9 | 68.5 | 0 | 0 | 0 | 112.9 | D107 M108 E109 F148 V151 F152 Y155 | L105-D107 PolarHBondContact O-N 3.06Å; L105-M108 HydrophobicContact CD1-CE 3.9Å; L105-M108 PolarHBondContact O-N 2.95Å; L105-E109 PolarHBondContact O-N 3.38Å; L105-E109 VanDerWaalsContact O-N 3.17Å; L105-F148 HydrophobicContact CD2-CE2 3.67Å; L105-F148 HydrophobicContact CD2-CZ 4.09Å; L105-V151 HydrophobicContact CD1-CG1 4.21Å; L105-F152 HydrophobicContact CD2-CD2 4.46Å; L105-Y155 HydrophobicContact CD1-CD1 3.96Å; L105-Y155 HydrophobicContact CD1-CD2 4.02Å; L105-Y155 HydrophobicContact CD1-CG 3.5Å |
| 106 | K | 90.8 | Very high | 90.3 | Very high | 107 Ų | 107 | 53.4 Ų | 53.4 | 47% | 0.465 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -28 | 179.2 | 73.9 | -170.2 | -178.1 | -155.8 | 0 | 113.2 | E104 M108 E109 Q110 | E104-K106 HydrophobicContact CB-CD 4.29Å; E104-K106 HydrophobicContact CB-CG 3.98Å; E104-K106 VanDerWaalsContact CD-NZ 3.29Å; E104-K106 PolarHBondContact O-N 3.14Å; E104-K106 VanDerWaalsContact O-N 3.07Å; E104-K106 IonicContact OE1-NZ 2.64Å; E104-K106 PolarHBondContact OE1-NZ 2.88Å; E104-K106 WeakPolarHBondContact OE2-CD 3.33Å; E104-K106 WeakPolarHBondContact OE2-CE 3.44Å; E104-K106 IonicContact OE2-NZ 2.98Å; E104-K106 PolarHBondContact OE2-NZ 3.13Å; K106-M108 VanDerWaalsContact C-N 3.35Å; K106-E109 PolarHBondContact O-N 3.47Å; K106-Q110 WeakPolarHBondContact O-CB 3.36Å; K106-Q110 PolarHBondContact O-N 2.83Å |
| 107 | D | 91.4 | Very high | 89.6 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.9 | -34.5 | -178.8 | -59.8 | -47.6 | 0 | 0 | 0 | 110.6 | G103 E104 L105 F111 | G103-D107 WeakPolarHBondContact CA-OD2 3.47Å; E104-D107 PolarHBondContact N-OD2 3.4Å; E104-D107 WeakPolarHBondContact O-CB 3.41Å; E104-D107 PolarHBondContact O-N 3.39Å; L105-D107 PolarHBondContact O-N 3.06Å; D107-F111 PolarHBondContact O-N 3.35Å |
| 108 | M | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.8 | -41.2 | 171.1 | -175.3 | -171.9 | 68.2 | 0 | 0 | 111.7 | I35 L105 K106 F111 F112 Y143 V151 L154 Y155 L158 | I35-M108 HydrophobicContact CD1-SD 4.12Å; L105-M108 HydrophobicContact CD1-CE 3.9Å; L105-M108 PolarHBondContact O-N 2.95Å; K106-M108 VanDerWaalsContact C-N 3.35Å; M108-F111 WeakPolarHBondContact O-CB 3.32Å; M108-F111 PolarHBondContact O-N 2.9Å; M108-F112 HydrophobicContact CG-CD2 4.3Å; M108-F112 HydrophobicContact CG-CE2 4.24Å; M108-F112 WeakPolarHBondContact O-CD2 3.41Å; M108-F112 PolarHBondContact O-N 3.13Å; M108-Y143 HydrophobicContact CE-CE2 4.09Å; M108-V151 HydrophobicContact CE-CG1 3.6Å; M108-L154 HydrophobicContact SD-CG 4.36Å; M108-Y155 HydrophobicContact CB-CD2 4.08Å; M108-Y155 HydrophobicContact CB-CE2 4.43Å; M108-Y155 HydrophobicContact CE-CD2 4.31Å; M108-Y155 HydrophobicContact SD-CD2 4.06Å; M108-L158 HydrophobicContact SD-CD2 4.36Å |
| 109 | E | 91.4 | Very high | 87.4 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 175.9 | -71.1 | 174.2 | 152.8 | 0 | 0 | 110.9 | L105 K106 F111 F112 D113 Y143 | L105-E109 PolarHBondContact O-N 3.38Å; L105-E109 VanDerWaalsContact O-N 3.17Å; K106-E109 PolarHBondContact O-N 3.47Å; E109-F111 VanDerWaalsContact C-N 3.28Å; E109-F111 PolarHBondContact O-N 3.24Å; E109-F112 PolarHBondContact O-N 2.92Å; E109-F112 VanDerWaalsContact O-N 3.08Å; E109-D113 PolarHBondContact O-N 3.41Å; E109-Y143 VanDerWaalsContact CG-OH 3.28Å; E109-Y143 WeakPolarHBondContact CG-OH 3.47Å |
| 110 | Q | 91 | Very high | 86.2 | Confident | 104 Ų | 104 | 51.4 Ų | 51.4 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 176.9 | -173.8 | 63.4 | 49.2 | 0 | 0 | 112.4 | K106 F112 D113 D114 | K106-Q110 WeakPolarHBondContact O-CB 3.36Å; K106-Q110 PolarHBondContact O-N 2.83Å; Q110-F112 VanDerWaalsContact C-N 3.34Å; Q110-F112 PolarHBondContact O-N 2.8Å; Q110-D113 PolarHBondContact O-N 3.45Å; Q110-D114 PolarHBondContact NE2-OD1 3.16Å; Q110-D114 WeakPolarHBondContact O-CB 3.42Å; Q110-D114 PolarHBondContact O-N 2.89Å |
| 111 | F | 92.9 | Very high | 84.7 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.044 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.4 | 171.9 | -105.6 | 0 | 0 | 0 | 112.7 | I35 L38 V39 M100 D107 M108 E109 L115 | I35-F111 HydrophobicContact CG2-CE1 4.21Å; L38-F111 HydrophobicContact CB-CE1 4.17Å; L38-F111 HydrophobicContact CB-CZ 4.12Å; V39-F111 HydrophobicContact CB-CZ 4.22Å; V39-F111 HydrophobicContact CG2-CE1 4.05Å; V39-F111 HydrophobicContact CG2-CE2 3.76Å; V39-F111 HydrophobicContact CG2-CZ 3.4Å; M100-F111 HydrophobicContact SD-CB 3.71Å; M100-F111 HydrophobicContact SD-CD1 3.84Å; M100-F111 HydrophobicContact SD-CD2 4.05Å; M100-F111 HydrophobicContact SD-CE1 4.45Å; M100-F111 HydrophobicContact SD-CG 3.6Å; M100-F111 VanDerWaalsContact SD-CG 3.6Å; D107-F111 PolarHBondContact O-N 3.35Å; M108-F111 WeakPolarHBondContact O-CB 3.32Å; M108-F111 PolarHBondContact O-N 2.9Å; E109-F111 VanDerWaalsContact C-N 3.28Å; E109-F111 PolarHBondContact O-N 3.24Å; F111-L115 HydrophobicContact CD1-CD1 3.69Å; F111-L115 HydrophobicContact CD2-CD1 4.29Å; F111-L115 HydrophobicContact CE1-CD1 3.16Å; F111-L115 HydrophobicContact CE1-CG 4.48Å; F111-L115 HydrophobicContact CE2-CD1 3.84Å; F111-L115 HydrophobicContact CE2-CG 4.48Å; F111-L115 HydrophobicContact CG-CD1 4.24Å; F111-L115 HydrophobicContact CZ-CD1 3.25Å; F111-L115 HydrophobicContact CZ-CG 4.25Å; F111-L115 WeakPolarHBondContact O-CB 3.23Å; F111-L115 PolarHBondContact O-N 3.45Å |
| 112 | F | 90.9 | Very high | 83.2 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71 | -34.3 | 176.4 | -86.2 | -79.6 | 0 | 0 | 0 | 112.6 | V30 I35 L38 M108 E109 Q110 L115 S116 Y143 | V30-F112 HydrophobicContact CG1-CE1 4.45Å; V30-F112 HydrophobicContact CG1-CZ 3.71Å; I35-F112 HydrophobicContact CD1-CE2 4.31Å; I35-F112 HydrophobicContact CG1-CE2 4.17Å; I35-F112 HydrophobicContact CG1-CZ 4.01Å; L38-F112 HydrophobicContact CD1-CE1 3.84Å; L38-F112 HydrophobicContact CD1-CZ 4.02Å; M108-F112 HydrophobicContact CG-CD2 4.3Å; M108-F112 HydrophobicContact CG-CE2 4.24Å; M108-F112 WeakPolarHBondContact O-CD2 3.41Å; M108-F112 PolarHBondContact O-N 3.13Å; E109-F112 PolarHBondContact O-N 2.92Å; E109-F112 VanDerWaalsContact O-N 3.08Å; Q110-F112 VanDerWaalsContact C-N 3.34Å; Q110-F112 PolarHBondContact O-N 2.8Å; F112-L115 PolarHBondContact O-N 2.95Å; F112-S116 PolarHBondContact O-N 3.02Å; F112-Y143 HydrophobicContact CB-CD1 3.63Å; F112-Y143 HydrophobicContact CB-CE1 3.54Å; F112-Y143 HydrophobicContact CB-CG 4.29Å; F112-Y143 AromaticContact CD1-CD1 3.76Å; F112-Y143 HydrophobicContact CD1-CD1 3.76Å; F112-Y143 HydrophobicContact CD1-CD2 4.13Å; F112-Y143 HydrophobicContact CD1-CE1 4.4Å; F112-Y143 AromaticContact CD1-CG 3.6Å; F112-Y143 HydrophobicContact CD1-CG 3.6Å; F112-Y143 AromaticContact CD2-CD1 3.98Å; F112-Y143 HydrophobicContact CD2-CD1 3.98Å; F112-Y143 AromaticContact CD2-CD2 3.65Å; F112-Y143 HydrophobicContact CD2-CD2 3.65Å; F112-Y143 AromaticContact CD2-CE1 3.87Å; F112-Y143 HydrophobicContact CD2-CE1 3.87Å; F112-Y143 AromaticContact CD2-CE2 3.53Å; F112-Y143 HydrophobicContact CD2-CE2 3.53Å; F112-Y143 AromaticContact CD2-CG 3.87Å; F112-Y143 HydrophobicContact CD2-CG 3.87Å; F112-Y143 AromaticContact CD2-CZ 3.63Å; F112-Y143 HydrophobicContact CE1-CD1 4.44Å; F112-Y143 HydrophobicContact CE1-CD2 4.05Å; F112-Y143 AromaticContact CE1-CG 3.81Å; F112-Y143 HydrophobicContact CE1-CG 3.81Å; F112-Y143 AromaticContact CE2-CD2 3.58Å; F112-Y143 HydrophobicContact CE2-CD2 3.58Å; F112-Y143 AromaticContact CE2-CE2 3.7Å; F112-Y143 HydrophobicContact CE2-CE2 3.7Å; F112-Y143 HydrophobicContact CE2-CG 4.08Å; F112-Y143 AromaticContact CG-CD1 3.51Å; F112-Y143 HydrophobicContact CG-CD1 3.51Å; F112-Y143 AromaticContact CG-CD2 3.94Å; F112-Y143 HydrophobicContact CG-CD2 3.94Å; F112-Y143 AromaticContact CG-CE1 3.68Å; F112-Y143 HydrophobicContact CG-CE1 3.68Å; F112-Y143 HydrophobicContact CG-CE2 4.1Å; F112-Y143 AromaticContact CG-CG 3.64Å; F112-Y143 HydrophobicContact CG-CG 3.64Å; F112-Y143 AromaticContact CG-CZ 3.97Å; F112-Y143 AromaticContact CZ-CD2 3.8Å; F112-Y143 HydrophobicContact CZ-CD2 3.8Å; F112-Y143 HydrophobicContact CZ-CE2 4.38Å; F112-Y143 HydrophobicContact CZ-CG 4.06Å |
| 113 | D | 88.2 | Confident | 81.7 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 173 | -70.8 | -22.5 | 0 | 0 | 0 | 110.8 | E109 Q110 L115 S116 | E109-D113 PolarHBondContact O-N 3.41Å; Q110-D113 PolarHBondContact O-N 3.45Å; D113-L115 VanDerWaalsContact C-N 3.28Å; D113-L115 PolarHBondContact O-N 3.35Å; D113-S116 WeakPolarHBondContact O-CB 3.32Å; D113-S116 PolarHBondContact O-N 3.46Å; D113-S116 PolarHBondContact O-OG 3.49Å |
| 114 | D | 86.9 | Confident | 80.5 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.2 | -36.7 | 175.3 | -75.2 | 9.7 | 0 | 0 | 0 | 112.6 | R46 Q110 S116 D117 | R46-D114 IonicContact NH2-OD2 2.71Å; Q110-D114 PolarHBondContact NE2-OD1 3.16Å; Q110-D114 WeakPolarHBondContact O-CB 3.42Å; Q110-D114 PolarHBondContact O-N 2.89Å; D114-S116 VanDerWaalsContact C-N 3.28Å; D114-S116 PolarHBondContact O-N 3.26Å; D114-D117 PolarHBondContact O-N 2.92Å |
| 115 | L | 86.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -29.2 | 176.4 | -101.8 | 156.1 | 0 | 0 | 0 | 112.7 | L38 F111 F112 D113 D117 S118 L136 I140 | L38-L115 HydrophobicContact CB-CD1 4.13Å; L38-L115 HydrophobicContact CD2-CD2 4.5Å; F111-L115 HydrophobicContact CD1-CD1 3.69Å; F111-L115 HydrophobicContact CD2-CD1 4.29Å; F111-L115 HydrophobicContact CE1-CD1 3.16Å; F111-L115 HydrophobicContact CE1-CG 4.48Å; F111-L115 HydrophobicContact CE2-CD1 3.84Å; F111-L115 HydrophobicContact CE2-CG 4.48Å; F111-L115 HydrophobicContact CG-CD1 4.24Å; F111-L115 HydrophobicContact CZ-CD1 3.25Å; F111-L115 HydrophobicContact CZ-CG 4.25Å; F111-L115 WeakPolarHBondContact O-CB 3.23Å; F111-L115 PolarHBondContact O-N 3.45Å; F112-L115 PolarHBondContact O-N 2.95Å; D113-L115 VanDerWaalsContact C-N 3.28Å; D113-L115 PolarHBondContact O-N 3.35Å; L115-D117 PolarHBondContact O-N 3.3Å; L115-S118 VanDerWaalsContact O-CB 3.27Å; L115-S118 WeakPolarHBondContact O-CB 3.39Å; L115-S118 PolarHBondContact O-N 2.95Å; L115-S118 PolarHBondContact O-OG 3.35Å; L115-S118 VanDerWaalsContact O-OG 3.11Å; L115-L136 HydrophobicContact CD2-CD2 3.39Å; L115-I140 HydrophobicContact CB-CD1 4.17Å; L115-I140 HydrophobicContact CB-CG1 4.46Å |
| 116 | S | 80.3 | Confident | 78.6 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -28 | 177.5 | 80.2 | 0 | 0 | 0 | 0 | 112 | F112 D113 D114 S118 | F112-S116 PolarHBondContact O-N 3.02Å; D113-S116 WeakPolarHBondContact O-CB 3.32Å; D113-S116 PolarHBondContact O-N 3.46Å; D113-S116 PolarHBondContact O-OG 3.49Å; D114-S116 VanDerWaalsContact C-N 3.28Å; D114-S116 PolarHBondContact O-N 3.26Å; S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 2.88Å |
| 117 | D | 77.2 | Confident | 78 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 54% | 0.535 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -74.4 | -14.1 | 175.5 | -69.9 | -27.3 | 0 | 0 | 0 | 113.5 | D114 L115 F119 S120 | D114-D117 PolarHBondContact O-N 2.92Å; L115-D117 PolarHBondContact O-N 3.3Å; D117-F119 PolarHBondContact O-N 3.27Å; D117-S120 VanDerWaalsContact O-CB 3.29Å; D117-S120 WeakPolarHBondContact O-CB 3.33Å; D117-S120 PolarHBondContact O-N 3.21Å; D117-S120 PolarHBondContact O-OG 3.05Å |
| 118 | S | 71.6 | Confident | 77.2 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -61.3 | -16.5 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | L115 S116 | L115-S118 VanDerWaalsContact O-CB 3.27Å; L115-S118 WeakPolarHBondContact O-CB 3.39Å; L115-S118 PolarHBondContact O-N 2.95Å; L115-S118 PolarHBondContact O-OG 3.35Å; L115-S118 VanDerWaalsContact O-OG 3.11Å; S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 2.88Å |
| 119 | F | 68 | Low | 76.5 | Confident | 34 Ų | 34 | 72.4 Ų | 72.4 | 15% | 0.149 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -98.5 | -2.5 | 175 | -65 | -69.4 | 0 | 0 | 0 | 114.3 | D117 K128 G133 L136 R137 I140 | D117-F119 PolarHBondContact O-N 3.27Å; F119-K128 HydrophobicContact CD1-CG 3.88Å; F119-K128 HydrophobicContact CE1-CG 4.37Å; F119-G133 WeakPolarHBondContact CZ-O 3.35Å; F119-L136 HydrophobicContact CE2-CB 4.11Å; F119-L136 HydrophobicContact CZ-CB 3.66Å; F119-R137 HydrophobicContact CE2-CB 4.13Å; F119-R137 HydrophobicContact CZ-CB 3.82Å; F119-I140 HydrophobicContact CD2-CD1 4.44Å; F119-I140 HydrophobicContact CE2-CD1 3.91Å |
| 120 | S | 65.6 | Low | 76.1 | Confident | 72 Ų | 72 | 71 Ų | 71 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | trans | -86.4 | 156.2 | 179.4 | 78.7 | 0 | 0 | 0 | 0 | 111.1 | D117 | D117-S120 VanDerWaalsContact O-CB 3.29Å; D117-S120 WeakPolarHBondContact O-CB 3.33Å; D117-S120 PolarHBondContact O-N 3.21Å; D117-S120 PolarHBondContact O-OG 3.05Å | ||
| 121 | G | 61.5 | Low | 75.6 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 68% | 0.68 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 100.9 | 169.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 122 | T | 58.1 | Low | 75.2 | Confident | 149 Ų | 149 | 70.7 Ų | 70.7 | 91% | 0.914 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -75.8 | -30.3 | 179.9 | 41.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 123 | E | 61.1 | Low | 74.9 | Confident | 177 Ų | 177 | 70.5 Ų | 70.5 | 83% | 0.827 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -122.8 | 87.6 | 172.4 | -71.4 | -174 | 170 | 0 | 0 | 108.1 | E125 | E123-E125 PolarHBondContact O-N 2.94Š|
| 124 | P | 65.2 | Low | 74.6 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | trans | -62.7 | 134.6 | 178.8 | 25.3 | -32.8 | 0 | 0 | 0 | 109.9 | V126 | P124-V126 PolarHBondContact O-N 2.89Š| ||
| 125 | E | 68.2 | Low | 74.5 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -55 | -30 | -179.8 | -64.7 | 179.2 | 172.5 | 0 | 0 | 112.2 | S45 E123 | S45-E125 WeakPolarHBondContact CB-OE2 3.33Å; S45-E125 PolarHBondContact OG-OE2 2.95Å; E123-E125 PolarHBondContact O-N 2.94Å |
| 126 | V | 73.1 | Confident | 74.5 | Confident | 24 Ų | 24 | 69 Ų | 69 | 15% | 0.145 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -127 | 127.5 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | P124 K128 V132 L136 | P124-V126 PolarHBondContact O-N 2.89Å; V126-K128 PolarHBondContact O-N 3.38Å; V126-V132 HydrophobicContact CG1-CB 4.03Å; V126-V132 HydrophobicContact CG1-CG1 3.92Å; V126-V132 HydrophobicContact CG2-CG1 4.46Å; V126-L136 HydrophobicContact CB-CD1 4.09Å; V126-L136 HydrophobicContact CG1-CD1 4.04Å; V126-L136 HydrophobicContact CG2-CD1 3.78Å |
| 127 | H | 77.9 | Confident | 74.7 | Confident | 124 Ų | 124 | 73.3 Ų | 73.3 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | trans | -65.2 | 127.6 | 176.5 | -166 | -91.2 | 0 | 0 | 0 | 111.2 | T129 S130 | H127-T129 PolarHBondContact CE1-OG1 3.19Å; H127-T129 PolarHBondContact ND1-N 3.28Å; H127-T129 PolarHBondContact ND1-OG1 3.21Å; H127-T129 PolarHBondContact O-N 3.31Å; H127-S130 WeakPolarHBondContact O-CB 3.42Å; H127-S130 PolarHBondContact O-N 3.18Å; H127-S130 PolarHBondContact O-OG 3.06Å | ||
| 128 | K | 74.1 | Confident | 74.8 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -26.4 | -171.9 | -66.9 | 176.7 | -178.6 | 176.4 | 0 | 114.9 | F119 V126 | F119-K128 HydrophobicContact CD1-CG 3.88Å; F119-K128 HydrophobicContact CE1-CG 4.37Å; V126-K128 PolarHBondContact O-N 3.38Å |
| 129 | T | 77.7 | Confident | 75.5 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -0.6 | 180 | 63.9 | 0 | 0 | 0 | 0 | 114 | H127 | H127-T129 PolarHBondContact CE1-OG1 3.19Å; H127-T129 PolarHBondContact ND1-N 3.28Å; H127-T129 PolarHBondContact ND1-OG1 3.21Å; H127-T129 PolarHBondContact O-N 3.31Å |
| 130 | S | 82.9 | Confident | 76.4 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -68.7 | 158.5 | 174.1 | 68 | 0 | 0 | 0 | 0 | 110.6 | H127 V132 G133 L134 | H127-S130 WeakPolarHBondContact O-CB 3.42Å; H127-S130 PolarHBondContact O-N 3.18Å; H127-S130 PolarHBondContact O-OG 3.06Å; S130-V132 PolarHBondContact O-N 3.22Å; S130-G133 PolarHBondContact O-N 3.46Å; S130-G133 PolarHBondContact OG-N 3.45Å; S130-L134 WeakPolarHBondContact O-CB 3.47Å; S130-L134 WeakPolarHBondContact O-CG 3.42Å; S130-L134 PolarHBondContact O-N 3.29Å |
| 131 | V | 80.3 | Confident | 77.2 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54.8 | -40.3 | 175.9 | 179 | 0 | 0 | 0 | 0 | 111.2 | L65 L68 F135 | L65-V131 HydrophobicContact CD1-CG1 4.14Å; L68-V131 HydrophobicContact CD1-CG1 4.38Å; V131-F135 WeakPolarHBondContact O-CB 3.43Å; V131-F135 PolarHBondContact O-N 3.17Å |
| 132 | V | 85.3 | Confident | 78.1 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.1 | -46 | 175.7 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | L41 L64 L68 V126 S130 L134 F135 L136 | L41-V132 HydrophobicContact CD1-CG1 3.84Å; L41-V132 HydrophobicContact CD2-CG1 3.6Å; L41-V132 HydrophobicContact CG-CG1 4.3Å; L64-V132 HydrophobicContact CD1-CG2 4.32Å; L68-V132 HydrophobicContact CD1-CG2 4.03Å; V126-V132 HydrophobicContact CG1-CB 4.03Å; V126-V132 HydrophobicContact CG1-CG1 3.92Å; V126-V132 HydrophobicContact CG2-CG1 4.46Å; S130-V132 PolarHBondContact O-N 3.22Å; V132-L134 PolarHBondContact O-N 3.39Å; V132-F135 PolarHBondContact O-N 3.09Å; V132-L136 HydrophobicContact CG1-CD1 3.93Å; V132-L136 WeakPolarHBondContact O-CB 3.39Å; V132-L136 WeakPolarHBondContact O-CG 3.31Å; V132-L136 PolarHBondContact O-N 3.31Å |
| 133 | G | 84.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F119 S130 R137 | F119-G133 WeakPolarHBondContact CZ-O 3.35Å; S130-G133 PolarHBondContact O-N 3.46Å; S130-G133 PolarHBondContact OG-N 3.45Å; G133-R137 VanDerWaalsContact O-CB 3.26Å; G133-R137 WeakPolarHBondContact O-CB 3.41Å; G133-R137 PolarHBondContact O-N 3.02Å |
| 134 | L | 81.6 | Confident | 80.6 | Confident | 98 Ų | 98 | 59 Ų | 59 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 172.8 | -71.2 | 173.3 | 0 | 0 | 0 | 110.8 | S130 V132 H138 | S130-L134 WeakPolarHBondContact O-CB 3.47Å; S130-L134 WeakPolarHBondContact O-CG 3.42Å; S130-L134 PolarHBondContact O-N 3.29Å; V132-L134 PolarHBondContact O-N 3.39Å; L134-H138 WeakPolarHBondContact O-CB 3.47Å; L134-H138 PolarHBondContact O-N 3.36Å |
| 135 | F | 84.6 | Confident | 81.4 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -51 | 176.2 | 178.9 | -92.9 | 0 | 0 | 0 | 112.1 | K34 V37 L38 L41 L68 V131 V132 R137 H138 M139 | K34-F135 HydrophobicContact CB-CZ 4.37Å; K34-F135 HydrophobicContact CG-CZ 4.27Å; V37-F135 HydrophobicContact CG1-CE1 4.19Å; V37-F135 HydrophobicContact CG1-CZ 4.38Å; L38-F135 HydrophobicContact CD2-CD1 4.22Å; L38-F135 HydrophobicContact CD2-CE1 3.85Å; L38-F135 HydrophobicContact CG-CE1 4.23Å; L41-F135 HydrophobicContact CD1-CD1 4.07Å; L41-F135 HydrophobicContact CD1-CE1 4.33Å; L68-F135 HydrophobicContact CB-CD2 4.42Å; L68-F135 HydrophobicContact CD2-CB 4.09Å; L68-F135 HydrophobicContact CD2-CD1 3.4Å; L68-F135 HydrophobicContact CD2-CD2 3.78Å; L68-F135 HydrophobicContact CD2-CE1 3.61Å; L68-F135 HydrophobicContact CD2-CE2 3.98Å; L68-F135 HydrophobicContact CD2-CG 3.49Å; L68-F135 VanDerWaalsContact CD2-CG 3.49Å; L68-F135 HydrophobicContact CD2-CZ 3.9Å; V131-F135 WeakPolarHBondContact O-CB 3.43Å; V131-F135 PolarHBondContact O-N 3.17Å; V132-F135 PolarHBondContact O-N 3.09Å; F135-R137 PolarHBondContact O-N 3.48Å; F135-H138 PolarHBondContact O-N 3.19Å; F135-M139 HydrophobicContact CD1-CG 4.07Å; F135-M139 HydrophobicContact CD2-CG 4.46Å; F135-M139 HydrophobicContact CE1-CG 3.73Å; F135-M139 HydrophobicContact CE2-CE 4.48Å; F135-M139 HydrophobicContact CE2-CG 4.14Å; F135-M139 HydrophobicContact CE2-SD 4.36Å; F135-M139 HydrophobicContact CG-CG 4.43Å; F135-M139 HydrophobicContact CZ-CG 3.76Å; F135-M139 HydrophobicContact CZ-SD 4.22Å; F135-M139 WeakPolarHBondContact O-CG 3.48Å; F135-M139 PolarHBondContact O-N 3.36Å |
| 136 | L | 86.1 | Confident | 82 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.6 | -53.6 | 178.1 | -83.4 | 162.6 | 0 | 0 | 0 | 111.5 | L38 L41 L115 F119 V126 V132 H138 M139 I140 | L38-L136 HydrophobicContact CD2-CD2 3.49Å; L38-L136 VanDerWaalsContact CD2-CD2 3.49Å; L38-L136 HydrophobicContact CD2-CG 4.35Å; L41-L136 HydrophobicContact CD1-CD1 4.47Å; L41-L136 HydrophobicContact CD1-CD2 4.26Å; L41-L136 HydrophobicContact CD1-CG 4.08Å; L115-L136 HydrophobicContact CD2-CD2 3.39Å; F119-L136 HydrophobicContact CE2-CB 4.11Å; F119-L136 HydrophobicContact CZ-CB 3.66Å; V126-L136 HydrophobicContact CB-CD1 4.09Å; V126-L136 HydrophobicContact CG1-CD1 4.04Å; V126-L136 HydrophobicContact CG2-CD1 3.78Å; V132-L136 HydrophobicContact CG1-CD1 3.93Å; V132-L136 WeakPolarHBondContact O-CB 3.39Å; V132-L136 WeakPolarHBondContact O-CG 3.31Å; V132-L136 PolarHBondContact O-N 3.31Å; L136-H138 VanDerWaalsContact C-N 3.25Å; L136-H138 PolarHBondContact O-N 2.88Å; L136-M139 PolarHBondContact O-N 3.23Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.31Å |
| 137 | R | 83.6 | Confident | 82.6 | Confident | 146 Ų | 146 | 62.7 Ų | 62.7 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 179.2 | -177.6 | -179.2 | 172.6 | 124.5 | 0.6 | 111.1 | F119 G133 F135 L141 | F119-R137 HydrophobicContact CE2-CB 4.13Å; F119-R137 HydrophobicContact CZ-CB 3.82Å; G133-R137 VanDerWaalsContact O-CB 3.26Å; G133-R137 WeakPolarHBondContact O-CB 3.41Å; G133-R137 PolarHBondContact O-N 3.02Å; F135-R137 PolarHBondContact O-N 3.48Å; R137-L141 HydrophobicContact CG-CD1 3.97Å; R137-L141 WeakPolarHBondContact O-CB 3.45Å; R137-L141 VanDerWaalsContact O-CG 3.23Å; R137-L141 WeakPolarHBondContact O-CG 3.17Å; R137-L141 PolarHBondContact O-N 3.48Å |
| 138 | H | 80.5 | Confident | 83.1 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 38% | 0.375 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 179.9 | -168.7 | 68.4 | 0 | 0 | 0 | 112 | D28 L134 F135 L136 L141 A142 | D28-H138 VanDerWaalsContact CB-CD2 3.46Å; D28-H138 WeakPolarHBondContact CB-CD2 3.19Å; D28-H138 WeakPolarHBondContact CB-NE2 3.44Å; D28-H138 IonicContact OD2-CD2 2.72Å; D28-H138 PolarHBondContact OD2-CD2 3.07Å; D28-H138 IonicContact OD2-NE2 3.97Å; D28-H138 PolarHBondContact OD2-NE2 3.38Å; L134-H138 WeakPolarHBondContact O-CB 3.47Å; L134-H138 PolarHBondContact O-N 3.36Å; F135-H138 PolarHBondContact O-N 3.19Å; L136-H138 VanDerWaalsContact C-N 3.25Å; L136-H138 PolarHBondContact O-N 2.88Å; H138-L141 PolarHBondContact O-N 2.94Å; H138-A142 VanDerWaalsContact O-CB 3.3Å; H138-A142 WeakPolarHBondContact O-CB 3.43Å; H138-A142 PolarHBondContact O-N 3.46Å |
| 139 | M | 85.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66 | -40.9 | 177 | -69.6 | -57.4 | 98.9 | 0 | 0 | 112.7 | D28 V30 K34 L38 F135 L136 A142 Y143 | D28-M139 HydrophobicContact CB-CE 3.95Å; D28-M139 WeakPolarHBondContact OD2-CE 3.37Å; V30-M139 HydrophobicContact CG2-SD 4.5Å; K34-M139 HydrophobicContact CB-SD 4.18Å; K34-M139 HydrophobicContact CD-CE 4.35Å; K34-M139 HydrophobicContact CD-SD 3.57Å; K34-M139 VanDerWaalsContact CD-SD 3.57Å; K34-M139 HydrophobicContact CG-SD 4.38Å; L38-M139 HydrophobicContact CD1-CB 3.88Å; L38-M139 HydrophobicContact CD1-CG 4.23Å; L38-M139 HydrophobicContact CD2-CB 4.06Å; L38-M139 HydrophobicContact CD2-CG 4.2Å; L38-M139 HydrophobicContact CG-CB 4.47Å; L38-M139 HydrophobicContact CG-CG 4.48Å; F135-M139 HydrophobicContact CD1-CG 4.07Å; F135-M139 HydrophobicContact CD2-CG 4.46Å; F135-M139 HydrophobicContact CE1-CG 3.73Å; F135-M139 HydrophobicContact CE2-CE 4.48Å; F135-M139 HydrophobicContact CE2-CG 4.14Å; F135-M139 HydrophobicContact CE2-SD 4.36Å; F135-M139 HydrophobicContact CG-CG 4.43Å; F135-M139 HydrophobicContact CZ-CG 3.76Å; F135-M139 HydrophobicContact CZ-SD 4.22Å; F135-M139 WeakPolarHBondContact O-CG 3.48Å; F135-M139 PolarHBondContact O-N 3.36Å; L136-M139 PolarHBondContact O-N 3.23Å; M139-A142 PolarHBondContact O-N 3.03Å; M139-Y143 WeakPolarHBondContact O-CB 3.07Å; M139-Y143 PolarHBondContact O-N 3.19Å |
| 140 | I | 86.5 | Confident | 83.8 | Confident | 28 Ų | 28 | 60 Ų | 60 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 176.5 | -66.2 | 167.3 | 0 | 0 | 0 | 110.3 | L115 F119 L136 A142 Y143 S144 | L115-I140 HydrophobicContact CB-CD1 4.17Å; L115-I140 HydrophobicContact CB-CG1 4.46Å; F119-I140 HydrophobicContact CD2-CD1 4.44Å; F119-I140 HydrophobicContact CE2-CD1 3.91Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.31Å; I140-A142 VanDerWaalsContact C-N 3.33Å; I140-A142 PolarHBondContact O-N 3.26Å; I140-Y143 PolarHBondContact O-N 2.85Å; I140-S144 WeakPolarHBondContact O-CB 3.26Å; I140-S144 PolarHBondContact O-N 3.32Å; I140-S144 PolarHBondContact O-OG 3.26Å |
| 141 | L | 82.8 | Confident | 84.1 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.3 | -32.3 | 176 | -72.4 | 172.1 | 0 | 0 | 0 | 113.1 | R137 H138 S144 K145 | R137-L141 HydrophobicContact CG-CD1 3.97Å; R137-L141 WeakPolarHBondContact O-CB 3.45Å; R137-L141 VanDerWaalsContact O-CG 3.23Å; R137-L141 WeakPolarHBondContact O-CG 3.17Å; R137-L141 PolarHBondContact O-N 3.48Å; H138-L141 PolarHBondContact O-N 2.94Å; L141-S144 PolarHBondContact O-OG 2.9Å; L141-S144 VanDerWaalsContact O-OG 3.13Å; L141-K145 VanDerWaalsContact O-CG 3.3Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å |
| 142 | A | 80 | Confident | 84.4 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D28 V30 H138 M139 I140 K145 | D28-A142 WeakPolarHBondContact O-CB 3.27Å; V30-A142 HydrophobicContact CG2-CB 3.85Å; H138-A142 VanDerWaalsContact O-CB 3.3Å; H138-A142 WeakPolarHBondContact O-CB 3.43Å; H138-A142 PolarHBondContact O-N 3.46Å; M139-A142 PolarHBondContact O-N 3.03Å; I140-A142 VanDerWaalsContact C-N 3.33Å; I140-A142 PolarHBondContact O-N 3.26Å; A142-K145 PolarHBondContact O-N 3.48Å |
| 143 | Y | 86 | Confident | 84.4 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 174.9 | -177.5 | -102 | 0 | 0 | 0 | 111.9 | M108 E109 F112 M139 I140 K145 L146 V151 L154 | M108-Y143 HydrophobicContact CE-CE2 4.09Å; E109-Y143 VanDerWaalsContact CG-OH 3.28Å; E109-Y143 WeakPolarHBondContact CG-OH 3.47Å; F112-Y143 HydrophobicContact CB-CD1 3.63Å; F112-Y143 HydrophobicContact CB-CE1 3.54Å; F112-Y143 HydrophobicContact CB-CG 4.29Å; F112-Y143 AromaticContact CD1-CD1 3.76Å; F112-Y143 HydrophobicContact CD1-CD1 3.76Å; F112-Y143 HydrophobicContact CD1-CD2 4.13Å; F112-Y143 HydrophobicContact CD1-CE1 4.4Å; F112-Y143 AromaticContact CD1-CG 3.6Å; F112-Y143 HydrophobicContact CD1-CG 3.6Å; F112-Y143 AromaticContact CD2-CD1 3.98Å; F112-Y143 HydrophobicContact CD2-CD1 3.98Å; F112-Y143 AromaticContact CD2-CD2 3.65Å; F112-Y143 HydrophobicContact CD2-CD2 3.65Å; F112-Y143 AromaticContact CD2-CE1 3.87Å; F112-Y143 HydrophobicContact CD2-CE1 3.87Å; F112-Y143 AromaticContact CD2-CE2 3.53Å; F112-Y143 HydrophobicContact CD2-CE2 3.53Å; F112-Y143 AromaticContact CD2-CG 3.87Å; F112-Y143 HydrophobicContact CD2-CG 3.87Å; F112-Y143 AromaticContact CD2-CZ 3.63Å; F112-Y143 HydrophobicContact CE1-CD1 4.44Å; F112-Y143 HydrophobicContact CE1-CD2 4.05Å; F112-Y143 AromaticContact CE1-CG 3.81Å; F112-Y143 HydrophobicContact CE1-CG 3.81Å; F112-Y143 AromaticContact CE2-CD2 3.58Å; F112-Y143 HydrophobicContact CE2-CD2 3.58Å; F112-Y143 AromaticContact CE2-CE2 3.7Å; F112-Y143 HydrophobicContact CE2-CE2 3.7Å; F112-Y143 HydrophobicContact CE2-CG 4.08Å; F112-Y143 AromaticContact CG-CD1 3.51Å; F112-Y143 HydrophobicContact CG-CD1 3.51Å; F112-Y143 AromaticContact CG-CD2 3.94Å; F112-Y143 HydrophobicContact CG-CD2 3.94Å; F112-Y143 AromaticContact CG-CE1 3.68Å; F112-Y143 HydrophobicContact CG-CE1 3.68Å; F112-Y143 HydrophobicContact CG-CE2 4.1Å; F112-Y143 AromaticContact CG-CG 3.64Å; F112-Y143 HydrophobicContact CG-CG 3.64Å; F112-Y143 AromaticContact CG-CZ 3.97Å; F112-Y143 AromaticContact CZ-CD2 3.8Å; F112-Y143 HydrophobicContact CZ-CD2 3.8Å; F112-Y143 HydrophobicContact CZ-CE2 4.38Å; F112-Y143 HydrophobicContact CZ-CG 4.06Å; M139-Y143 WeakPolarHBondContact O-CB 3.07Å; M139-Y143 PolarHBondContact O-N 3.19Å; I140-Y143 PolarHBondContact O-N 2.85Å; Y143-K145 PolarHBondContact O-N 2.92Å; Y143-L146 HydrophobicContact CD2-CD1 4.06Å; Y143-L146 VanDerWaalsContact O-CB 3.3Å; Y143-L146 WeakPolarHBondContact O-CB 3.45Å; Y143-L146 WeakPolarHBondContact O-CG 3.37Å; Y143-L146 PolarHBondContact O-N 2.92Å; Y143-V151 HydrophobicContact CE2-CG1 4.17Å; Y143-V151 HydrophobicContact CE2-CG2 4.43Å; Y143-L154 HydrophobicContact CD2-CD2 4.15Å; Y143-L154 HydrophobicContact CE2-CD2 4.27Å |
| 144 | S | 86.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 57% | 0.573 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.7 | -177.2 | 73.6 | 0 | 0 | 0 | 0 | 114 | I140 L141 | I140-S144 WeakPolarHBondContact O-CB 3.26Å; I140-S144 PolarHBondContact O-N 3.32Å; I140-S144 PolarHBondContact O-OG 3.26Å; L141-S144 PolarHBondContact O-OG 2.9Å; L141-S144 VanDerWaalsContact O-OG 3.13Å |
| 145 | K | 82.3 | Confident | 85 | Confident | 172 Ų | 172 | 62 Ų | 62 | 75% | 0.748 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9 | 176.2 | -74.1 | 177.4 | -176.2 | -177.3 | 0 | 113.3 | L141 A142 Y143 | L141-K145 VanDerWaalsContact O-CG 3.3Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; A142-K145 PolarHBondContact O-N 3.48Å; Y143-K145 PolarHBondContact O-N 2.92Å |
| 146 | L | 81.1 | Confident | 85.2 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | trans | -72.7 | 134 | -179.8 | -60.9 | 176 | 0 | 0 | 0 | 110.2 | W29 Y143 Q150 V151 L154 | W29-L146 HydrophobicContact CE3-CD2 4.08Å; W29-L146 HydrophobicContact CZ3-CD2 4.06Å; Y143-L146 HydrophobicContact CD2-CD1 4.06Å; Y143-L146 VanDerWaalsContact O-CB 3.3Å; Y143-L146 WeakPolarHBondContact O-CB 3.45Å; Y143-L146 WeakPolarHBondContact O-CG 3.37Å; Y143-L146 PolarHBondContact O-N 2.92Å; L146-Q150 HydrophobicContact CB-CB 4.05Å; L146-Q150 HydrophobicContact CD2-CB 4.04Å; L146-V151 HydrophobicContact CB-CG2 3.59Å; L146-V151 HydrophobicContact CD1-CG2 4.35Å; L146-L154 HydrophobicContact CD1-CD2 3.86Å | ||
| 147 | S | 84.7 | Confident | 85.2 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | trans | -67 | 157.3 | 165 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | S149 Q150 V151 | S147-S149 PolarHBondContact O-N 3.28Å; S147-S149 VanDerWaalsContact O-N 3.13Å; S147-Q150 WeakPolarHBondContact O-CA 3.37Å; S147-Q150 WeakPolarHBondContact O-CB 3.31Å; S147-Q150 PolarHBondContact O-N 3.05Å; S147-Q150 WeakPolarHBondContact OG-CG 3.45Å; S147-Q150 PolarHBondContact OG-OE1 3.08Å; S147-V151 WeakPolarHBondContact O-CG2 3.35Å; S147-V151 PolarHBondContact O-N 3.2Å | ||
| 148 | F | 88.6 | Confident | 85.6 | Confident | 144 Ų | 144 | 58 Ų | 58 | 63% | 0.632 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -51.1 | -40.4 | 177 | 179.8 | -101 | 0 | 0 | 0 | 113.2 | L105 Q150 V151 F152 | L105-F148 HydrophobicContact CD2-CE2 3.67Å; L105-F148 HydrophobicContact CD2-CZ 4.09Å; F148-Q150 VanDerWaalsContact C-N 3.3Å; F148-Q150 PolarHBondContact O-N 3.27Å; F148-V151 PolarHBondContact O-N 3.16Å; F148-F152 WeakPolarHBondContact O-CB 3.45Å; F148-F152 PolarHBondContact O-N 3.4Å |
| 149 | S | 81.2 | Confident | 86.2 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 49% | 0.49 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | S147 K153 | S147-S149 PolarHBondContact O-N 3.28Å; S147-S149 VanDerWaalsContact O-N 3.13Å; S149-K153 WeakPolarHBondContact O-CG 3.48Å; S149-K153 PolarHBondContact O-N 3.49Å; S149-K153 VanDerWaalsContact O-N 3.13Å |
| 150 | Q | 84.8 | Confident | 86.3 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.2 | -38.8 | 176.6 | -69 | 164.8 | -45.2 | 0 | 0 | 111.7 | L146 S147 F148 F152 K153 L154 | L146-Q150 HydrophobicContact CB-CB 4.05Å; L146-Q150 HydrophobicContact CD2-CB 4.04Å; S147-Q150 WeakPolarHBondContact O-CA 3.37Å; S147-Q150 WeakPolarHBondContact O-CB 3.31Å; S147-Q150 PolarHBondContact O-N 3.05Å; S147-Q150 WeakPolarHBondContact OG-CG 3.45Å; S147-Q150 PolarHBondContact OG-OE1 3.08Å; F148-Q150 VanDerWaalsContact C-N 3.3Å; F148-Q150 PolarHBondContact O-N 3.27Å; Q150-F152 VanDerWaalsContact C-N 3.33Å; Q150-K153 PolarHBondContact O-N 2.95Å; Q150-L154 WeakPolarHBondContact O-CB 3.3Å; Q150-L154 PolarHBondContact O-N 2.97Å |
| 151 | V | 88.7 | Confident | 86.3 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | L105 M108 Y143 L146 S147 F148 K153 L154 Y155 | L105-V151 HydrophobicContact CD1-CG1 4.21Å; M108-V151 HydrophobicContact CE-CG1 3.6Å; Y143-V151 HydrophobicContact CE2-CG1 4.17Å; Y143-V151 HydrophobicContact CE2-CG2 4.43Å; L146-V151 HydrophobicContact CB-CG2 3.59Å; L146-V151 HydrophobicContact CD1-CG2 4.35Å; S147-V151 WeakPolarHBondContact O-CG2 3.35Å; S147-V151 PolarHBondContact O-N 3.2Å; F148-V151 PolarHBondContact O-N 3.16Å; V151-K153 PolarHBondContact O-N 3.43Å; V151-L154 WeakPolarHBondContact O-CB 3.27Å; V151-L154 PolarHBondContact O-N 2.86Å; V151-Y155 PolarHBondContact O-N 3.28Å |
| 152 | F | 87.8 | Confident | 86.7 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.5 | -174.6 | -97.3 | 0 | 0 | 0 | 112.6 | L105 F148 Q150 L154 Y155 T156 | L105-F152 HydrophobicContact CD2-CD2 4.46Å; F148-F152 WeakPolarHBondContact O-CB 3.45Å; F148-F152 PolarHBondContact O-N 3.4Å; Q150-F152 VanDerWaalsContact C-N 3.33Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3.36Å; F152-Y155 WeakPolarHBondContact O-CB 2.96Å; F152-Y155 PolarHBondContact O-N 2.92Å; F152-T156 PolarHBondContact O-N 3.33Å; F152-T156 PolarHBondContact O-OG1 3.41Å; F152-T156 VanDerWaalsContact O-OG1 3.13Å |
| 153 | K | 84.6 | Confident | 87.1 | Confident | 141 Ų | 141 | 63.4 Ų | 63.4 | 61% | 0.613 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | 174.6 | -76.4 | 174.3 | -179 | 179.7 | 0 | 112.3 | S149 Q150 V151 Y155 T156 A157 | S149-K153 WeakPolarHBondContact O-CG 3.48Å; S149-K153 PolarHBondContact O-N 3.49Å; S149-K153 VanDerWaalsContact O-N 3.13Å; Q150-K153 PolarHBondContact O-N 2.95Å; V151-K153 PolarHBondContact O-N 3.43Å; K153-Y155 VanDerWaalsContact C-N 3.32Å; K153-T156 PolarHBondContact O-N 3.18Å; K153-A157 WeakPolarHBondContact O-CB 3.39Å; K153-A157 PolarHBondContact O-N 2.88Å |
| 154 | L | 88.1 | Confident | 86.9 | Confident | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.7 | 175.4 | 59.3 | 0 | 0 | 0 | 110.9 | V30 I35 M108 Y143 L146 Q150 V151 F152 A157 L158 | V30-L154 HydrophobicContact CB-CD2 3.91Å; V30-L154 HydrophobicContact CG1-CD1 4.43Å; V30-L154 HydrophobicContact CG1-CD2 3.72Å; V30-L154 VanDerWaalsContact O-CD1 3.23Å; V30-L154 WeakPolarHBondContact O-CD1 3.41Å; I35-L154 HydrophobicContact CD1-CD1 4.02Å; I35-L154 HydrophobicContact CD1-CD2 4.21Å; I35-L154 HydrophobicContact CD1-CG 4.1Å; M108-L154 HydrophobicContact SD-CG 4.36Å; Y143-L154 HydrophobicContact CD2-CD2 4.15Å; Y143-L154 HydrophobicContact CE2-CD2 4.27Å; L146-L154 HydrophobicContact CD1-CD2 3.86Å; Q150-L154 WeakPolarHBondContact O-CB 3.3Å; Q150-L154 PolarHBondContact O-N 2.97Å; V151-L154 WeakPolarHBondContact O-CB 3.27Å; V151-L154 PolarHBondContact O-N 2.86Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3.36Å; L154-A157 WeakPolarHBondContact O-CB 3.46Å; L154-A157 PolarHBondContact O-N 3.45Å; L154-L158 PolarHBondContact O-N 3.48Å |
| 155 | Y | 91.8 | Very high | 86.5 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 175.3 | -175.8 | -109.2 | 0 | 0 | 0 | 112 | M100 G103 L105 M108 V151 F152 K153 A157 L158 Q159 | M100-Y155 VanDerWaalsContact O-CE2 3.31Å; M100-Y155 WeakPolarHBondContact O-CE2 3.1Å; M100-Y155 PolarHBondContact O-OH 3.27Å; G103-Y155 PolarHBondContact O-OH 3.47Å; L105-Y155 HydrophobicContact CD1-CD1 3.96Å; L105-Y155 HydrophobicContact CD1-CD2 4.02Å; L105-Y155 HydrophobicContact CD1-CG 3.5Å; M108-Y155 HydrophobicContact CB-CD2 4.08Å; M108-Y155 HydrophobicContact CB-CE2 4.43Å; M108-Y155 HydrophobicContact CE-CD2 4.31Å; M108-Y155 HydrophobicContact SD-CD2 4.06Å; V151-Y155 PolarHBondContact O-N 3.28Å; F152-Y155 WeakPolarHBondContact O-CB 2.96Å; F152-Y155 PolarHBondContact O-N 2.92Å; K153-Y155 VanDerWaalsContact C-N 3.32Å; Y155-A157 PolarHBondContact O-N 2.93Å; Y155-L158 WeakPolarHBondContact O-CA 3.17Å; Y155-L158 WeakPolarHBondContact O-CB 3.49Å; Y155-L158 PolarHBondContact O-N 3.3Å; Y155-Q159 HydrophobicContact CD1-CG 4.49Å; Y155-Q159 HydrophobicContact CE1-CG 4.17Å; Y155-Q159 WeakPolarHBondContact O-CG 3.5Å; Y155-Q159 PolarHBondContact O-N 2.95Å |
| 156 | T | 88.3 | Confident | 85.9 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -37.7 | 175.2 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | F152 K153 Q159 Q160 | F152-T156 PolarHBondContact O-N 3.33Å; F152-T156 PolarHBondContact O-OG1 3.41Å; F152-T156 VanDerWaalsContact O-OG1 3.13Å; K153-T156 PolarHBondContact O-N 3.18Å; T156-Q159 PolarHBondContact O-N 3.37Å; T156-Q160 WeakPolarHBondContact O-CG 3.39Å; T156-Q160 PolarHBondContact O-N 3.13Å |
| 157 | A | 86.7 | Confident | 84.8 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | P32 K153 L154 Y155 Q160 Y161 | P32-A157 VanDerWaalsContact CG-C 3.48Å; P32-A157 HydrophobicContact CG-CB 3.8Å; P32-A157 WeakPolarHBondContact CG-O 3.44Å; K153-A157 WeakPolarHBondContact O-CB 3.39Å; K153-A157 PolarHBondContact O-N 2.88Å; L154-A157 WeakPolarHBondContact O-CB 3.46Å; L154-A157 PolarHBondContact O-N 3.45Å; Y155-A157 PolarHBondContact O-N 2.93Å; A157-Q160 PolarHBondContact O-N 2.99Å; A157-Y161 VanDerWaalsContact O-CB 3.31Å; A157-Y161 WeakPolarHBondContact O-CB 3.45Å; A157-Y161 PolarHBondContact O-N 3.41Å |
| 158 | L | 91.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 173.6 | -179.4 | 66.3 | 0 | 0 | 0 | 111.4 | P32 I35 M100 M108 L154 Y155 Q160 Y161 F162 | P32-L158 HydrophobicContact CB-CB 4.46Å; P32-L158 HydrophobicContact CB-CD1 4.03Å; P32-L158 HydrophobicContact CG-CB 4.46Å; I35-L158 HydrophobicContact CB-CD1 4.48Å; I35-L158 HydrophobicContact CD1-CD1 4.49Å; I35-L158 HydrophobicContact CD1-CD2 4.39Å; I35-L158 HydrophobicContact CG2-CD1 4.33Å; I35-L158 HydrophobicContact CG2-CD2 4.46Å; M100-L158 HydrophobicContact CB-CD2 4.36Å; M100-L158 HydrophobicContact CE-CD2 4.46Å; M108-L158 HydrophobicContact SD-CD2 4.36Å; L154-L158 PolarHBondContact O-N 3.48Å; Y155-L158 WeakPolarHBondContact O-CA 3.17Å; Y155-L158 WeakPolarHBondContact O-CB 3.49Å; Y155-L158 PolarHBondContact O-N 3.3Å; L158-Q160 PolarHBondContact O-N 2.97Å; L158-Y161 PolarHBondContact O-N 3.25Å; L158-F162 PolarHBondContact O-N 3.3Å |
| 159 | Q | 91.9 | Very high | 81 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 27% | 0.271 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.6 | -61.3 | -175.2 | -60.3 | 0 | 0 | 111.8 | A101 Y155 T156 F162 Q163 | A101-Q159 WeakPolarHBondContact O-CG 3.49Å; A101-Q159 PolarHBondContact O-NE2 3.2Å; A101-Q159 VanDerWaalsContact O-NE2 3.14Å; Y155-Q159 HydrophobicContact CD1-CG 4.49Å; Y155-Q159 HydrophobicContact CE1-CG 4.17Å; Y155-Q159 WeakPolarHBondContact O-CG 3.5Å; Y155-Q159 PolarHBondContact O-N 2.95Å; T156-Q159 PolarHBondContact O-N 3.37Å; Q159-F162 PolarHBondContact O-N 3.03Å; Q159-Q163 WeakPolarHBondContact O-CG 3.34Å; Q159-Q163 PolarHBondContact O-N 3.36Å |
| 160 | Q | 87.8 | Confident | 79.2 | Confident | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 176.2 | -71.3 | 178.2 | -1 | 0 | 0 | 112.4 | T156 A157 L158 F162 Q163 N164 | T156-Q160 WeakPolarHBondContact O-CG 3.39Å; T156-Q160 PolarHBondContact O-N 3.13Å; A157-Q160 PolarHBondContact O-N 2.99Å; L158-Q160 PolarHBondContact O-N 2.97Å; Q160-F162 VanDerWaalsContact C-N 3.31Å; Q160-F162 PolarHBondContact O-N 3.03Å; Q160-Q163 PolarHBondContact O-N 3.32Å; Q160-N164 WeakPolarHBondContact O-CB 3.42Å; Q160-N164 VanDerWaalsContact O-CG 3.29Å; Q160-N164 PolarHBondContact O-N 2.91Å; Q160-N164 PolarHBondContact O-ND2 3.47Å |
| 161 | Y | 87.7 | Confident | 77 | Confident | 35 Ų | 35 | 66 Ų | 66 | 14% | 0.137 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 176.5 | -177.9 | -112.5 | 0 | 0 | 0 | 111.7 | P32 A36 I73 L75 A157 L158 G165 | P32-Y161 HydrophobicContact CB-CD1 3.62Å; P32-Y161 HydrophobicContact CB-CD2 4.23Å; P32-Y161 HydrophobicContact CB-CE1 4.34Å; P32-Y161 HydrophobicContact CB-CG 3.55Å; A36-Y161 HydrophobicContact CB-CE1 4.35Å; I73-Y161 WeakPolarHBondContact O-CE2 3.43Å; I73-Y161 PolarHBondContact O-OH 3.17Å; L75-Y161 WeakPolarHBondContact CA-OH 3.31Å; L75-Y161 HydrophobicContact CB-CD1 4.14Å; L75-Y161 HydrophobicContact CB-CE1 3.64Å; L75-Y161 HydrophobicContact CB-CE2 4.19Å; L75-Y161 HydrophobicContact CD1-CE1 3.75Å; L75-Y161 HydrophobicContact CD2-CD1 4.33Å; L75-Y161 HydrophobicContact CD2-CE1 4.33Å; L75-Y161 HydrophobicContact CG-CE1 4.09Å; L75-Y161 PolarHBondContact N-OH 2.92Å; A157-Y161 VanDerWaalsContact O-CB 3.31Å; A157-Y161 WeakPolarHBondContact O-CB 3.45Å; A157-Y161 PolarHBondContact O-N 3.41Å; L158-Y161 PolarHBondContact O-N 3.25Å; Y161-G165 PolarHBondContact O-N 3.5Å |
| 162 | F | 90.7 | Very high | 74.7 | Confident | 10 Ų | 10 | 71 Ų | 71 | 4% | 0.044 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -51 | 174.5 | -179.5 | -104.1 | 0 | 0 | 0 | 112.3 | L75 I97 K98 A101 E102 L158 Q159 Q160 N164 G165 E166 | L75-F162 HydrophobicContact CD2-CD2 4Å; I97-F162 HydrophobicContact CG2-CD2 3.98Å; K98-F162 HydrophobicContact CB-CE2 3.72Å; K98-F162 HydrophobicContact CB-CZ 3.73Å; K98-F162 HydrophobicContact CD-CZ 3.98Å; K98-F162 HydrophobicContact CG-CE1 4.31Å; K98-F162 HydrophobicContact CG-CE2 4.13Å; K98-F162 HydrophobicContact CG-CZ 3.59Å; A101-F162 HydrophobicContact CB-CB 3.68Å; A101-F162 HydrophobicContact CB-CD1 4.01Å; A101-F162 HydrophobicContact CB-CD2 4.39Å; A101-F162 HydrophobicContact CB-CG 3.76Å; E102-F162 HydrophobicContact CG-CE1 4.11Å; L158-F162 PolarHBondContact O-N 3.3Å; Q159-F162 PolarHBondContact O-N 3.03Å; Q160-F162 VanDerWaalsContact C-N 3.31Å; Q160-F162 PolarHBondContact O-N 3.03Å; F162-N164 VanDerWaalsContact C-N 3.33Å; F162-N164 PolarHBondContact O-N 2.86Å; F162-G165 WeakPolarHBondContact O-CA 3.38Å; F162-G165 PolarHBondContact O-N 3.37Å; F162-E166 HydrophobicContact CE1-CG 4.15Å; F162-E166 HydrophobicContact CE2-CG 4.41Å; F162-E166 HydrophobicContact CZ-CG 3.93Å; F162-E166 WeakPolarHBondContact CZ-OE1 3.49Å; F162-E166 PolarHBondContact O-N 3.03Å |
| 163 | Q | 87.6 | Confident | 72.4 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 179.6 | -72.3 | 174.9 | 7.7 | 0 | 0 | 113.1 | Q159 Q160 G165 E166 K167 | Q159-Q163 WeakPolarHBondContact O-CG 3.34Å; Q159-Q163 PolarHBondContact O-N 3.36Å; Q160-Q163 PolarHBondContact O-N 3.32Å; Q163-G165 VanDerWaalsContact C-N 3.27Å; Q163-G165 PolarHBondContact O-N 3.22Å; Q163-E166 PolarHBondContact O-N 3.29Å; Q163-K167 WeakPolarHBondContact O-CG 3.45Å; Q163-K167 PolarHBondContact O-N 3.09Å; Q163-K167 VanDerWaalsContact O-N 3.12Å |
| 164 | N | 81.8 | Confident | 70 | Confident | 101 Ų | 101 | 67 Ų | 67 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.3 | -27.4 | 176.2 | -73.2 | -14.7 | 0 | 0 | 0 | 112.4 | Q160 F162 | Q160-N164 WeakPolarHBondContact O-CB 3.42Å; Q160-N164 VanDerWaalsContact O-CG 3.29Å; Q160-N164 PolarHBondContact O-N 2.91Å; Q160-N164 PolarHBondContact O-ND2 3.47Å; F162-N164 VanDerWaalsContact C-N 3.33Å; F162-N164 PolarHBondContact O-N 2.86Å |
| 165 | G | 78.2 | Confident | 67.6 | Low | 7 Ų | 7 | 72.9 Ų | 72.9 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.4 | -45.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y161 F162 Q163 T169 | Y161-G165 PolarHBondContact O-N 3.5Å; F162-G165 WeakPolarHBondContact O-CA 3.38Å; F162-G165 PolarHBondContact O-N 3.37Å; Q163-G165 VanDerWaalsContact C-N 3.27Å; Q163-G165 PolarHBondContact O-N 3.22Å; G165-T169 PolarHBondContact O-OG1 2.96Å |
| 166 | E | 71.3 | Confident | 64.8 | Low | 70 Ų | 70 | 80 Ų | 80 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | -179.7 | -83.3 | -163.7 | 155.5 | 0 | 0 | 113.1 | K98 F162 Q163 K168 T169 V170 | K98-E166 IonicContact NZ-OE1 2.69Å; F162-E166 HydrophobicContact CE1-CG 4.15Å; F162-E166 HydrophobicContact CE2-CG 4.41Å; F162-E166 HydrophobicContact CZ-CG 3.93Å; F162-E166 WeakPolarHBondContact CZ-OE1 3.49Å; F162-E166 PolarHBondContact O-N 3.03Å; Q163-E166 PolarHBondContact O-N 3.29Å; E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.25Å; E166-T169 WeakPolarHBondContact CA-OG1 3.29Å; E166-T169 PolarHBondContact O-N 2.9Å; E166-T169 VanDerWaalsContact O-N 3.1Å; E166-T169 PolarHBondContact O-OG1 2.76Å; E166-V170 WeakPolarHBondContact O-CG2 3.23Å; E166-V170 PolarHBondContact O-N 3.21Å; E166-V170 VanDerWaalsContact O-N 3.08Å |
| 167 | K | 57.1 | Low | 62.1 | Low | 132 Ų | 132 | 85 Ų | 85 | 57% | 0.574 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57 | -39.5 | -178.8 | -75.4 | 178.7 | -176.7 | 178.3 | 0 | 112.7 | Q163 V170 E171 | Q163-K167 WeakPolarHBondContact O-CG 3.45Å; Q163-K167 PolarHBondContact O-N 3.09Å; Q163-K167 VanDerWaalsContact O-N 3.12Å; K167-V170 PolarHBondContact O-N 3.15Å; K167-E171 PolarHBondContact O-N 2.88Å; K167-E171 VanDerWaalsContact O-N 3.08Å |
| 168 | K | 49.9 | Very low | 59.4 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 178.4 | -74.1 | -169.3 | 172.2 | -169.2 | 0 | 112.9 | E166 V170 D172 | E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.25Å; K168-V170 VanDerWaalsContact C-N 3.31Å; K168-V170 PolarHBondContact O-N 3.45Å; K168-D172 PolarHBondContact O-N 3.1Å |
| 169 | T | 44.3 | Very low | 56.5 | Low | 69 Ų | 69 | 94 Ų | 94 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -29.4 | 174 | 40.9 | 0 | 0 | 0 | 0 | 113 | G165 E166 A173 | G165-T169 PolarHBondContact O-OG1 2.96Å; E166-T169 WeakPolarHBondContact CA-OG1 3.29Å; E166-T169 PolarHBondContact O-N 2.9Å; E166-T169 VanDerWaalsContact O-N 3.1Å; E166-T169 PolarHBondContact O-OG1 2.76Å; T169-A173 WeakPolarHBondContact O-CB 3.27Å; T169-A173 PolarHBondContact O-N 2.84Å |
| 170 | V | 42.2 | Very low | 53.5 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -78.6 | -38.1 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | E166 K167 K168 D172 A173 D174 | E166-V170 WeakPolarHBondContact O-CG2 3.23Å; E166-V170 PolarHBondContact O-N 3.21Å; E166-V170 VanDerWaalsContact O-N 3.08Å; K167-V170 PolarHBondContact O-N 3.15Å; K168-V170 VanDerWaalsContact C-N 3.31Å; K168-V170 PolarHBondContact O-N 3.45Å; V170-D172 VanDerWaalsContact C-N 3.32Å; V170-D172 PolarHBondContact O-N 3.33Å; V170-A173 PolarHBondContact O-N 2.91Å; V170-A173 VanDerWaalsContact O-N 3.13Å; V170-D174 WeakPolarHBondContact O-CB 3.23Å; V170-D174 PolarHBondContact O-N 2.83Å |
| 171 | E | 39.5 | Very low | 50.8 | Low | 131 Ų | 131 | 103.7 Ų | 103.7 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -37.5 | 174.5 | -75.3 | 178.5 | 173.4 | 0 | 0 | 112.4 | K167 M175 | K167-E171 PolarHBondContact O-N 2.88Å; K167-E171 VanDerWaalsContact O-N 3.08Å; E171-M175 PolarHBondContact O-N 3.19Å |
| 172 | D | 39.5 | Very low | 48 | Very low | 115 Ų | 115 | 110.8 Ų | 110.8 | 62% | 0.615 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.4 | -36.1 | 172.2 | -79.6 | -18.9 | 0 | 0 | 0 | 111.8 | K168 V170 | K168-D172 PolarHBondContact O-N 3.1Å; V170-D172 VanDerWaalsContact C-N 3.32Å; V170-D172 PolarHBondContact O-N 3.33Å |
| 173 | A | 39 | Very low | 44.9 | Very low | 51 Ų | 51 | 113.7 Ų | 113.7 | 42% | 0.421 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.1 | -37.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | T169 V170 E176 | T169-A173 WeakPolarHBondContact O-CB 3.27Å; T169-A173 PolarHBondContact O-N 2.84Å; V170-A173 PolarHBondContact O-N 2.91Å; V170-A173 VanDerWaalsContact O-N 3.13Å; A173-E176 PolarHBondContact O-N 3.48Å |
| 174 | D | 35.5 | Very low | 42.1 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.2 | -22.6 | -177.5 | -87.5 | -15.3 | 0 | 0 | 0 | 112.7 | V170 E176 | V170-D174 WeakPolarHBondContact O-CB 3.23Å; V170-D174 PolarHBondContact O-N 2.83Å; D174-E176 VanDerWaalsContact C-N 3.32Å |
| 175 | M | 37 | Very low | 39.4 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 68% | 0.68 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -13.4 | 171 | -80.2 | -157.1 | -71.8 | 0 | 0 | 114 | E171 | E171-M175 PolarHBondContact O-N 3.19Š|
| 176 | E | 33.1 | Very low | 37 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -15.3 | 178.7 | -76 | -167.8 | 162.6 | 0 | 0 | 114.1 | A173 D174 | A173-E176 PolarHBondContact O-N 3.48Å; D174-E176 VanDerWaalsContact C-N 3.32Å |
| 177 | L | 31.3 | Very low | 34.9 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 0.7 | 179.8 | -79 | 167.3 | 0 | 0 | 0 | 114.9 | ||
| 178 | T | 30.9 | Very low | 33.6 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -126.6 | 55 | 177 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 179 | S | 30.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -160 | 73.1 | 157.1 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | D181 | S179-D181 PolarHBondContact O-N 2.9Š| ||
| 180 | R | 27.6 | Very low | 31.7 | Very low | 239 Ų | 239 | 149.3 Ų | 149.3 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | -83 | 96.9 | 157.7 | 177.3 | 177.4 | 174.1 | 155.2 | -1.1 | 107.7 | ||||
| 181 | D | 31.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 154 Ų | 154 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -174.3 | 131 | 140.6 | -103.6 | -10.7 | 0 | 0 | 0 | 112.9 | S179 | S179-D181 PolarHBondContact O-N 2.9Š| ||
| 182 | E | 28.8 | Very low | 30.4 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 58.8 | 107.3 | 139.2 | -58.8 | -92.9 | 133.9 | 0 | 0 | 119.8 | ||||
| 183 | G | 26.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 156.6 Ų | 156.6 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | 110.9 | 125.9 | 125 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 184 | E | 30.1 | Very low | 29.1 | Very low | 179 Ų | 179 | 160.2 Ų | 160.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 81.1 | 85.1 | 150.3 | -52.7 | -163.8 | 169.8 | 0 | 0 | 119.3 | K186 | E184-K186 PolarHBondContact O-N 3.02Š| ||
| 185 | R | 25.1 | Very low | 28.6 | Very low | 255 Ų | 255 | 158.3 Ų | 158.3 | 96% | 0.962 | 79% | 0.79 | S | S | * | * | trans | -59.3 | 107.9 | 159.6 | -65.3 | 172.7 | -175.9 | 167.5 | 0.8 | 110.8 | ||||
| 186 | K | 27.8 | Very low | 28.2 | Very low | 172 Ų | 172 | 156 Ų | 156 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -115.3 | 110.1 | 156 | -78.9 | -176 | -178.4 | 172.4 | 0 | 109.2 | E184 E188 | E184-K186 PolarHBondContact O-N 3.02Å; K186-E188 PolarHBondContact O-N 2.95Å | ||
| 187 | M | 26.1 | Very low | 27.9 | Very low | 188 Ų | 188 | 158 Ų | 158 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | -84.7 | 83.8 | -177.5 | -172.3 | 171 | 69.4 | 0 | 0 | 108.1 | ||||
| 188 | E | 29.5 | Very low | 27.8 | Very low | 171 Ų | 171 | 158.7 Ų | 158.7 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -94.3 | 127.4 | 169.6 | -73.7 | -175 | 176.9 | 0 | 0 | 109.3 | K186 E190 | K186-E188 PolarHBondContact O-N 2.95Å; E188-E190 PolarHBondContact O-N 2.72Å; E188-E190 VanDerWaalsContact O-N 3.14Å | ||
| 189 | K | 26.4 | Very low | 27.6 | Very low | 193 Ų | 193 | 161 Ų | 161 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -67.1 | 104 | -179.9 | -73.2 | 169 | 169.6 | 178.4 | 0 | 108.7 | E191 | K189-E191 PolarHBondContact O-N 2.88Š| ||
| 190 | E | 27.6 | Very low | 27.6 | Very low | 190 Ų | 190 | 163.6 Ų | 163.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 96.7 | 164.9 | -72.9 | -175.1 | 158.5 | 0 | 0 | 108.5 | E188 | E188-E190 PolarHBondContact O-N 2.72Å; E188-E190 VanDerWaalsContact O-N 3.14Å | ||
| 191 | E | 24.8 | Very low | 28 | Very low | 174 Ų | 174 | 155.5 Ų | 155.5 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -66.6 | 131.9 | 162 | -73.4 | -178.5 | 165.6 | 0 | 0 | 108.5 | K189 D193 | K189-E191 PolarHBondContact O-N 2.88Å; E191-D193 PolarHBondContact O-N 3.45Å | ||
| 192 | L | 30 | Very low | 28.1 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -58.1 | 93.6 | -174.9 | -74.8 | 88 | 0 | 0 | 0 | 111.6 | ||||
| 193 | D | 24.1 | Very low | 28.4 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -111.7 | 90.2 | 163.4 | -159.6 | 11.5 | 0 | 0 | 0 | 107.8 | E191 S195 | E191-D193 PolarHBondContact O-N 3.45Å; D193-S195 PolarHBondContact O-N 2.97Å | ||
| 194 | V | 27.9 | Very low | 29.2 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -72.6 | 61.1 | 167 | -176 | 0 | 0 | 0 | 0 | 107.2 | V196 | V194-V196 HydrophobicContact CG1-CG2 4.38Å; V194-V196 PolarHBondContact O-N 3.45Å; V194-V196 VanDerWaalsContact O-N 3.12Å | ||
| 195 | S | 25.6 | Very low | 30.1 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 51% | 0.51 | 72% | 0.722 | S | S | . | * | trans | -73.3 | 100.6 | 164.7 | 61.9 | 0 | 0 | 0 | 0 | 105.7 | D193 R197 | D193-S195 PolarHBondContact O-N 2.97Å; S195-R197 PolarHBondContact O-N 2.7Å | ||
| 196 | V | 28.5 | Very low | 31.4 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 54% | 0.539 | 70% | 0.703 | S | S | . | * | trans | -62 | 93.8 | 169.3 | 179.1 | 0 | 0 | 0 | 0 | 106 | V194 E198 V201 | V194-V196 HydrophobicContact CG1-CG2 4.38Å; V194-V196 PolarHBondContact O-N 3.45Å; V194-V196 VanDerWaalsContact O-N 3.12Å; V196-E198 PolarHBondContact O-N 3.23Å; V196-V201 HydrophobicContact CG1-CG2 3.86Å | ||
| 197 | R | 25 | Very low | 32.7 | Very low | 202 Ų | 202 | 128.5 Ų | 128.5 | 76% | 0.762 | 67% | 0.674 | S | S | * | * | trans | -53.1 | 132.7 | 173.2 | -81.5 | 175.6 | 165.9 | 163.5 | -2.9 | 108.1 | S195 E199 E200 | S195-R197 PolarHBondContact O-N 2.7Å; R197-E199 PolarHBondContact O-N 3.03Å; R197-E200 PolarHBondContact O-N 3.38Å; R197-E200 VanDerWaalsContact O-N 3.14Å | ||
| 198 | E | 30.2 | Very low | 34.1 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -17 | -172.8 | -66.3 | 179.3 | 145.9 | 0 | 0 | 114.8 | V196 | V196-E198 PolarHBondContact O-N 3.23Š|
| 199 | E | 27.3 | Very low | 35.7 | Very low | 170 Ų | 170 | 114.3 Ų | 114.3 | 79% | 0.794 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -21.4 | -177.7 | -66.2 | -174.5 | 158.6 | 0 | 0 | 114.1 | R197 S202 | R197-E199 PolarHBondContact O-N 3.03Å; E199-S202 PolarHBondContact O-OG 3.2Å |
| 200 | E | 30.7 | Very low | 37.4 | Very low | 155 Ų | 155 | 106.2 Ų | 106.2 | 72% | 0.724 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -7.9 | -171.7 | -71.2 | -166.3 | 175 | 0 | 0 | 115.9 | R197 S202 | R197-E200 PolarHBondContact O-N 3.38Å; R197-E200 VanDerWaalsContact O-N 3.14Å; E200-S202 PolarHBondContact O-N 3.23Å |
| 201 | V | 36.1 | Very low | 39.2 | Very low | 70 Ų | 70 | 98.1 Ų | 98.1 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3.6 | 175.5 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | V196 C203 | V196-V201 HydrophobicContact CG1-CG2 3.86Å; V201-C203 PolarHBondContact O-N 3.35Å |
| 202 | S | 32.6 | Very low | 41.3 | Very low | 90 Ų | 90 | 89.9 Ų | 89.9 | 63% | 0.629 | 50% | 0.496 | S | S | * | . | trans | -68.9 | 71.8 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | E199 E200 S204 | E199-S202 PolarHBondContact O-OG 3.2Å; E200-S202 PolarHBondContact O-N 3.23Å; S202-S204 PolarHBondContact O-N 3.4Å | ||
| 203 | C | 35.8 | Very low | 43.3 | Very low | 65 Ų | 65 | 82 Ų | 82 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | trans | -71.4 | 91.6 | 170.8 | -86.4 | 0 | 0 | 0 | 0 | 108.6 | V201 G205 L207 | V201-C203 PolarHBondContact O-N 3.35Å; C203-G205 PolarHBondContact O-N 2.8Å; C203-G205 VanDerWaalsContact O-N 3.1Å; C203-L207 HydrophobicContact CB-CD2 4.29Å; C203-L207 HydrophobicContact CB-CG 4.41Å | ||
| 204 | S | 41.5 | Very low | 45.5 | Very low | 122 Ų | 122 | 78.5 Ų | 78.5 | 85% | 0.853 | 43% | 0.433 | S | S | * | . | trans | -70.4 | 1.9 | 176.6 | 64 | 0 | 0 | 0 | 0 | 114.1 | S202 | S202-S204 PolarHBondContact O-N 3.4Š| ||
| 205 | G | 49.2 | Very low | 48 | Very low | 34 Ų | 34 | 73.3 Ų | 73.3 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -106.8 | 164 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C203 L207 | C203-G205 PolarHBondContact O-N 2.8Å; C203-G205 VanDerWaalsContact O-N 3.1Å; G205-L207 PolarHBondContact O-N 3.1Å |
| 206 | P | 53.2 | Low | 50.7 | Low | 89 Ų | 89 | 69.9 Ų | 69.9 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | trans | -58.6 | 113.3 | 171.2 | 25.6 | -32.3 | 0 | 0 | 0 | 109 | S208 F246 | P206-S208 PolarHBondContact O-N 3.28Å; P206-F246 HydrophobicContact CB-CB 4.2Å; P206-F246 HydrophobicContact CB-CD1 4.21Å; P206-F246 HydrophobicContact CB-CG 4.14Å | ||
| 207 | L | 53.6 | Low | 52.9 | Low | 26 Ų | 26 | 67.6 Ų | 67.6 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | trans | -54.8 | 134.3 | 169 | -75.7 | 144.9 | 0 | 0 | 0 | 108.5 | C203 G205 Q211 A212 L243 | C203-L207 HydrophobicContact CB-CD2 4.29Å; C203-L207 HydrophobicContact CB-CG 4.41Å; G205-L207 PolarHBondContact O-N 3.1Å; L207-Q211 HydrophobicContact CB-CB 4.17Å; L207-Q211 HydrophobicContact CD2-CB 3.51Å; L207-Q211 HydrophobicContact CD2-CG 4.42Å; L207-Q211 HydrophobicContact CG-CB 4.48Å; L207-A212 HydrophobicContact CB-CB 4.23Å; L207-L243 HydrophobicContact CD1-CD1 4.43Å; L207-L243 HydrophobicContact CD1-CG 4.49Å | ||
| 208 | S | 56.8 | Low | 55.5 | Low | 15 Ų | 15 | 60.9 Ų | 60.9 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -54 | 145.9 | 163.1 | 172.7 | 0 | 0 | 0 | 0 | 109.1 | P206 K210 Q211 A212 | P206-S208 PolarHBondContact O-N 3.28Å; S208-K210 PolarHBondContact O-N 3.17Å; S208-K210 VanDerWaalsContact O-N 3.11Å; S208-Q211 WeakPolarHBondContact O-CA 3.33Å; S208-Q211 WeakPolarHBondContact O-CB 3.36Å; S208-Q211 PolarHBondContact O-N 3.01Å; S208-A212 PolarHBondContact O-N 3.17Å | ||
| 209 | Q | 62.2 | Low | 58.1 | Low | 46 Ų | 46 | 53.5 Ų | 53.5 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.8 | -37.5 | 179.6 | 179.8 | 167.7 | -11.5 | 0 | 0 | 112.3 | K27 A212 E213 | K27-Q209 VanDerWaalsContact N-NE2 3.16Å; K27-Q209 PolarHBondContact O-OE1 2.96Å; Q209-A212 PolarHBondContact O-N 3.39Å; Q209-E213 HydrophobicContact CG-CG 4.34Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.45Å; Q209-E213 PolarHBondContact NE2-OE1 3.07Å; Q209-E213 VanDerWaalsContact O-CB 3.32Å; Q209-E213 WeakPolarHBondContact O-CB 3.47Å; Q209-E213 VanDerWaalsContact O-CG 3.24Å; Q209-E213 WeakPolarHBondContact O-CG 3.07Å; Q209-E213 PolarHBondContact O-N 2.95Å |
| 210 | K | 61.8 | Low | 60.8 | Low | 23 Ų | 23 | 45.7 Ų | 45.7 | 10% | 0.1 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 171.6 | -92.4 | -163.2 | 168.8 | 150.6 | 0 | 113.6 | I26 D28 S208 A212 E213 F214 | I26-K210 HydrophobicContact CB-CG 4.23Å; I26-K210 HydrophobicContact CD1-CD 4.33Å; I26-K210 HydrophobicContact CD1-CG 4.02Å; I26-K210 HydrophobicContact CG1-CG 4.12Å; I26-K210 HydrophobicContact CG2-CB 4.29Å; I26-K210 HydrophobicContact CG2-CD 4Å; I26-K210 HydrophobicContact CG2-CG 3.11Å; D28-K210 VanDerWaalsContact CG-NZ 3.26Å; D28-K210 WeakPolarHBondContact OD1-CD 3.34Å; D28-K210 WeakPolarHBondContact OD1-CE 3.33Å; D28-K210 VanDerWaalsContact OD1-CG 3.3Å; D28-K210 WeakPolarHBondContact OD1-CG 3.42Å; D28-K210 IonicContact OD1-NZ 2.64Å; D28-K210 PolarHBondContact OD1-NZ 2.66Å; D28-K210 WeakPolarHBondContact OD2-CE 3.47Å; D28-K210 IonicContact OD2-NZ 3.96Å; D28-K210 PolarHBondContact OD2-NZ 3.21Å; S208-K210 PolarHBondContact O-N 3.17Å; S208-K210 VanDerWaalsContact O-N 3.11Å; K210-A212 VanDerWaalsContact C-N 3.3Å; K210-E213 PolarHBondContact O-N 3.32Å; K210-F214 WeakPolarHBondContact O-CB 3.5Å; K210-F214 PolarHBondContact O-N 2.88Å |
| 211 | Q | 67.3 | Low | 63.1 | Low | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | -179.2 | -65.2 | 176.2 | -62.8 | 0 | 0 | 110.3 | P71 D72 L207 S208 F215 | P71-Q211 HydrophobicContact CB-CB 4.1Å; P71-Q211 HydrophobicContact CB-CG 3.68Å; D72-Q211 HydrophobicContact CB-CG 4.03Å; D72-Q211 VanDerWaalsContact CB-NE2 3.28Å; D72-Q211 PolarHBondContact O-NE2 3.25Å; L207-Q211 HydrophobicContact CB-CB 4.17Å; L207-Q211 HydrophobicContact CD2-CB 3.51Å; L207-Q211 HydrophobicContact CD2-CG 4.42Å; L207-Q211 HydrophobicContact CG-CB 4.48Å; S208-Q211 WeakPolarHBondContact O-CA 3.33Å; S208-Q211 WeakPolarHBondContact O-CB 3.36Å; S208-Q211 PolarHBondContact O-N 3.01Å; Q211-F215 WeakPolarHBondContact O-CB 3.24Å; Q211-F215 PolarHBondContact O-N 3.4Å |
| 212 | A | 68.9 | Low | 65.3 | Low | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -52.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | L207 S208 Q209 K210 F215 L216 L243 F250 | L207-A212 HydrophobicContact CB-CB 4.23Å; S208-A212 PolarHBondContact O-N 3.17Å; Q209-A212 PolarHBondContact O-N 3.39Å; K210-A212 VanDerWaalsContact C-N 3.3Å; A212-F215 PolarHBondContact O-N 3.36Å; A212-L216 WeakPolarHBondContact O-CB 3.35Å; A212-L216 VanDerWaalsContact O-CG 3.23Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 3.22Å; A212-L243 HydrophobicContact CB-CD1 3.81Å; A212-L243 HydrophobicContact CB-CD2 4.38Å; A212-L243 HydrophobicContact CB-CG 4.19Å; A212-F250 HydrophobicContact CB-CE1 3.77Å; A212-F250 HydrophobicContact CB-CZ 3.9Å |
| 213 | E | 71.3 | Confident | 67.8 | Low | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 179.3 | -74.7 | -179.1 | -157.4 | 0 | 0 | 113.2 | F24 I26 Q209 K210 L216 S217 F250 | F24-E213 VanDerWaalsContact CA-OE2 3.32Å; F24-E213 WeakPolarHBondContact CA-OE2 3.4Å; F24-E213 HydrophobicContact CB-CB 4.02Å; F24-E213 HydrophobicContact CB-CG 4.25Å; F24-E213 HydrophobicContact CD1-CB 3.97Å; F24-E213 HydrophobicContact CD1-CG 4.14Å; F24-E213 HydrophobicContact CG-CB 4.4Å; I26-E213 WeakPolarHBondContact CA-OE1 3.25Å; I26-E213 WeakPolarHBondContact CA-OE2 3.5Å; I26-E213 WeakPolarHBondContact CB-OE2 3.25Å; I26-E213 WeakPolarHBondContact CG1-OE2 3.37Å; I26-E213 PolarHBondContact N-OE2 3.02Å; Q209-E213 HydrophobicContact CG-CG 4.34Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.45Å; Q209-E213 PolarHBondContact NE2-OE1 3.07Å; Q209-E213 VanDerWaalsContact O-CB 3.32Å; Q209-E213 WeakPolarHBondContact O-CB 3.47Å; Q209-E213 VanDerWaalsContact O-CG 3.24Å; Q209-E213 WeakPolarHBondContact O-CG 3.07Å; Q209-E213 PolarHBondContact O-N 2.95Å; K210-E213 PolarHBondContact O-N 3.32Å; E213-L216 PolarHBondContact O-N 3.43Å; E213-S217 VanDerWaalsContact O-CB 3.27Å; E213-S217 WeakPolarHBondContact O-CB 3.34Å; E213-S217 PolarHBondContact O-N 3.26Å; E213-S217 PolarHBondContact O-OG 2.95Å; E213-F250 HydrophobicContact CB-CZ 4.31Å; E213-F250 HydrophobicContact CG-CE2 3.65Å; E213-F250 HydrophobicContact CG-CZ 3.38Å |
| 214 | F | 71.1 | Confident | 69.9 | Low | 60 Ų | 60 | 32.6 Ų | 32.6 | 26% | 0.263 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.6 | -51.1 | 174.4 | 177.9 | -93.2 | 0 | 0 | 0 | 110.3 | P71 K210 L216 S217 Q218 | P71-F214 HydrophobicContact CG-CD1 4.27Å; P71-F214 HydrophobicContact CG-CE1 4.4Å; K210-F214 WeakPolarHBondContact O-CB 3.5Å; K210-F214 PolarHBondContact O-N 2.88Å; F214-L216 VanDerWaalsContact C-N 3.33Å; F214-L216 PolarHBondContact O-N 3.21Å; F214-S217 PolarHBondContact O-N 3.29Å; F214-S217 PolarHBondContact O-OG 2.96Å; F214-Q218 HydrophobicContact CE1-CB 4.48Å; F214-Q218 WeakPolarHBondContact O-CB 3.49Å; F214-Q218 PolarHBondContact O-N 2.91Å |
| 215 | F | 79.9 | Confident | 71.7 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.4 | -48.2 | 176 | 170.2 | -100.1 | 0 | 0 | 0 | 111.3 | Q211 A212 Q218 Q219 L231 L236 E239 L243 | Q211-F215 WeakPolarHBondContact O-CB 3.24Å; Q211-F215 PolarHBondContact O-N 3.4Å; A212-F215 PolarHBondContact O-N 3.36Å; F215-Q218 PolarHBondContact O-N 2.85Å; F215-Q219 HydrophobicContact CD2-CG 4.05Å; F215-Q219 HydrophobicContact CE1-CG 4.23Å; F215-Q219 HydrophobicContact CE2-CG 3.67Å; F215-Q219 HydrophobicContact CG-CG 4.48Å; F215-Q219 HydrophobicContact CZ-CG 3.78Å; F215-Q219 WeakPolarHBondContact O-CB 3.46Å; F215-Q219 VanDerWaalsContact O-CG 3.27Å; F215-Q219 WeakPolarHBondContact O-CG 3.34Å; F215-Q219 PolarHBondContact O-N 2.88Å; F215-L231 HydrophobicContact CE2-CD1 3.77Å; F215-L231 HydrophobicContact CZ-CD1 3.79Å; F215-L236 HydrophobicContact CE1-CD1 4.18Å; F215-L236 HydrophobicContact CZ-CD1 3.85Å; F215-E239 HydrophobicContact CE1-CB 4.35Å; F215-E239 HydrophobicContact CE1-CG 3.82Å; F215-E239 HydrophobicContact CE2-CG 4.18Å; F215-E239 HydrophobicContact CZ-CB 3.98Å; F215-E239 HydrophobicContact CZ-CG 3.51Å; F215-L243 HydrophobicContact CD1-CD1 4.47Å |
| 216 | L | 82.5 | Confident | 73.3 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 178.7 | -71.7 | -168 | 0 | 0 | 0 | 112.4 | F24 A212 E213 F214 Q218 Q219 A220 L240 L243 F250 E252 A253 L256 | F24-L216 HydrophobicContact CD1-CB 4.39Å; F24-L216 HydrophobicContact CE1-CB 3.59Å; F24-L216 HydrophobicContact CE1-CD1 4.23Å; F24-L216 HydrophobicContact CZ-CB 4.3Å; A212-L216 WeakPolarHBondContact O-CB 3.35Å; A212-L216 VanDerWaalsContact O-CG 3.23Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 3.22Å; E213-L216 PolarHBondContact O-N 3.43Å; F214-L216 VanDerWaalsContact C-N 3.33Å; F214-L216 PolarHBondContact O-N 3.21Å; L216-Q218 VanDerWaalsContact C-N 3.34Å; L216-Q219 PolarHBondContact O-N 2.93Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 3.3Å; L216-L240 HydrophobicContact CD2-CD2 3.42Å; L216-L240 VanDerWaalsContact CD2-CD2 3.42Å; L216-L243 HydrophobicContact CD2-CD1 4.27Å; L216-L243 HydrophobicContact CG-CD1 4.44Å; L216-F250 HydrophobicContact CD1-CD1 3.64Å; L216-F250 HydrophobicContact CD1-CE1 3.03Å; L216-F250 HydrophobicContact CD1-CZ 3.73Å; L216-F250 HydrophobicContact CG-CE1 3.8Å; L216-E252 HydrophobicContact CD1-CB 3.3Å; L216-A253 HydrophobicContact CD1-CB 4.2Å; L216-A253 VanDerWaalsContact CD1-N 3.32Å; L216-A253 HydrophobicContact CD2-CB 4.3Å; L216-L256 HydrophobicContact CB-CD2 4.43Å; L216-L256 HydrophobicContact CD2-CB 4.09Å; L216-L256 HydrophobicContact CD2-CD2 3.51Å; L216-L256 HydrophobicContact CD2-CG 4.42Å |
| 217 | S | 74.9 | Confident | 74.8 | Confident | 41 Ų | 41 | 23.2 Ų | 23.2 | 29% | 0.287 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 179.6 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | E213 F214 A220 S221 | E213-S217 VanDerWaalsContact O-CB 3.27Å; E213-S217 WeakPolarHBondContact O-CB 3.34Å; E213-S217 PolarHBondContact O-N 3.26Å; E213-S217 PolarHBondContact O-OG 2.95Å; F214-S217 PolarHBondContact O-N 3.29Å; F214-S217 PolarHBondContact O-OG 2.96Å; S217-A220 PolarHBondContact O-N 2.88Å; S217-S221 WeakPolarHBondContact O-CB 3.31Å; S217-S221 PolarHBondContact O-N 3.35Å |
| 218 | Q | 79.2 | Confident | 76.3 | Confident | 62 Ų | 62 | 25.3 Ų | 25.3 | 29% | 0.29 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.7 | -52.6 | 175.4 | -176.7 | -176.4 | 45.1 | 0 | 0 | 110.1 | F214 F215 L216 A220 S221 L222 | F214-Q218 HydrophobicContact CE1-CB 4.48Å; F214-Q218 WeakPolarHBondContact O-CB 3.49Å; F214-Q218 PolarHBondContact O-N 2.91Å; F215-Q218 PolarHBondContact O-N 2.85Å; L216-Q218 VanDerWaalsContact C-N 3.34Å; Q218-A220 VanDerWaalsContact C-N 3.32Å; Q218-A220 PolarHBondContact O-N 3.34Å; Q218-S221 WeakPolarHBondContact O-CB 3.35Å; Q218-S221 PolarHBondContact O-N 3.39Å; Q218-L222 HydrophobicContact CG-CD1 4.17Å; Q218-L222 VanDerWaalsContact O-CG 3.28Å; Q218-L222 WeakPolarHBondContact O-CG 3.32Å; Q218-L222 PolarHBondContact O-N 2.84Å |
| 219 | Q | 84.3 | Confident | 77.7 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -36.9 | 179 | -69.4 | -60.2 | -52 | 0 | 0 | 112.1 | F215 L216 L222 L223 L236 L256 | F215-Q219 HydrophobicContact CD2-CG 4.05Å; F215-Q219 HydrophobicContact CE1-CG 4.23Å; F215-Q219 HydrophobicContact CE2-CG 3.67Å; F215-Q219 HydrophobicContact CG-CG 4.48Å; F215-Q219 HydrophobicContact CZ-CG 3.78Å; F215-Q219 WeakPolarHBondContact O-CB 3.46Å; F215-Q219 VanDerWaalsContact O-CG 3.27Å; F215-Q219 WeakPolarHBondContact O-CG 3.34Å; F215-Q219 PolarHBondContact O-N 2.88Å; L216-Q219 PolarHBondContact O-N 2.93Å; Q219-L222 PolarHBondContact O-N 3.45Å; Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 WeakPolarHBondContact O-CG 3.33Å; Q219-L223 PolarHBondContact O-N 2.95Å; Q219-L236 HydrophobicContact CB-CD1 4.23Å; Q219-L236 HydrophobicContact CG-CD1 3.96Å; Q219-L256 HydrophobicContact CB-CD1 4.39Å; Q219-L256 HydrophobicContact CB-CD2 3.56Å; Q219-L256 HydrophobicContact CG-CD2 4.46Å |
| 220 | A | 83.1 | Confident | 78.8 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 5% | 0.05 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L216 S217 Q218 L223 K224 L256 L259 | L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 3.3Å; S217-A220 PolarHBondContact O-N 2.88Å; Q218-A220 VanDerWaalsContact C-N 3.32Å; Q218-A220 PolarHBondContact O-N 3.34Å; A220-L223 PolarHBondContact O-N 2.65Å; A220-K224 WeakPolarHBondContact O-CB 3.39Å; A220-K224 PolarHBondContact O-N 3Å; A220-K224 VanDerWaalsContact O-N 3.17Å; A220-L256 HydrophobicContact CB-CD1 4.1Å; A220-L259 HydrophobicContact CB-CD1 4.45Å |
| 221 | S | 79.1 | Confident | 80.2 | Confident | 37 Ų | 37 | 28.3 Ų | 28.3 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | S217 Q218 K224 N225 | S217-S221 WeakPolarHBondContact O-CB 3.31Å; S217-S221 PolarHBondContact O-N 3.35Å; Q218-S221 WeakPolarHBondContact O-CB 3.35Å; Q218-S221 PolarHBondContact O-N 3.39Å; S221-K224 PolarHBondContact O-N 3.47Å; S221-N225 WeakPolarHBondContact O-CB 3.45Å; S221-N225 PolarHBondContact O-N 2.88Å |
| 222 | L | 83.8 | Confident | 81.3 | Confident | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 176.9 | -66 | 174.1 | 0 | 0 | 0 | 111.7 | Q218 Q219 K224 N225 D226 E227 K229 A230 | Q218-L222 HydrophobicContact CG-CD1 4.17Å; Q218-L222 VanDerWaalsContact O-CG 3.28Å; Q218-L222 WeakPolarHBondContact O-CG 3.32Å; Q218-L222 PolarHBondContact O-N 2.84Å; Q219-L222 PolarHBondContact O-N 3.45Å; L222-K224 PolarHBondContact O-N 2.86Å; L222-K224 VanDerWaalsContact O-N 3.13Å; L222-N225 PolarHBondContact O-N 3.41Å; L222-D226 CarbonylContact O-C 3.51Å; L222-D226 WeakPolarHBondContact O-CA 3.43Å; L222-D226 PolarHBondContact O-N 3.36Å; L222-E227 PolarHBondContact O-N 3.06Å; L222-K229 HydrophobicContact CD2-CB 3.91Å; L222-A230 HydrophobicContact CB-CB 3.81Å |
| 223 | L | 83.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.4 | -29.9 | 176.5 | -73.5 | -179 | 0 | 0 | 0 | 113.4 | Q219 A220 A230 L236 L256 L259 | Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 WeakPolarHBondContact O-CG 3.33Å; Q219-L223 PolarHBondContact O-N 2.95Å; A220-L223 PolarHBondContact O-N 2.65Å; L223-A230 HydrophobicContact CD2-CB 3.71Å; L223-A230 HydrophobicContact CG-CB 4.16Å; L223-L236 HydrophobicContact CD1-CD2 4.14Å; L223-L256 HydrophobicContact CD1-CD1 3.56Å; L223-L259 HydrophobicContact CD1-CB 3.9Å |
| 224 | K | 80.4 | Confident | 83.4 | Confident | 45 Ų | 45 | 36.7 Ų | 36.7 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -82.4 | -45.3 | 179.1 | -175.6 | -175.2 | 173.6 | -171.7 | 0 | 112.7 | F10 A220 S221 L222 E416 | F10-K224 HydrophobicContact CB-CD 4.16Å; F10-K224 HydrophobicContact CB-CG 4.13Å; F10-K224 HydrophobicContact CD1-CB 3.99Å; F10-K224 HydrophobicContact CD1-CG 4.08Å; F10-K224 HydrophobicContact CD2-CG 4.3Å; F10-K224 HydrophobicContact CE1-CB 4.17Å; F10-K224 HydrophobicContact CG-CB 4.36Å; F10-K224 HydrophobicContact CG-CD 4.47Å; F10-K224 HydrophobicContact CG-CG 3.93Å; A220-K224 WeakPolarHBondContact O-CB 3.39Å; A220-K224 PolarHBondContact O-N 3Å; A220-K224 VanDerWaalsContact O-N 3.17Å; S221-K224 PolarHBondContact O-N 3.47Å; L222-K224 PolarHBondContact O-N 2.86Å; L222-K224 VanDerWaalsContact O-N 3.13Å; K224-E416 WeakPolarHBondContact CE-OE2 3.39Å; K224-E416 IonicContact NZ-OE1 3.62Å; K224-E416 IonicContact NZ-OE2 2.82Å; K224-E416 PolarHBondContact NZ-OE2 3.31Å |
| 225 | N | 79.9 | Confident | 84.4 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -101.6 | -31.6 | -167.5 | -68.8 | -8.4 | 0 | 0 | 0 | 113.1 | S221 L222 E452 N461 N462 | S221-N225 WeakPolarHBondContact O-CB 3.45Å; S221-N225 PolarHBondContact O-N 2.88Å; L222-N225 PolarHBondContact O-N 3.41Å; N225-E452 PolarHBondContact ND2-OE1 2.88Å; N225-E452 VanDerWaalsContact ND2-OE1 3.15Å; N225-E452 PolarHBondContact ND2-OE2 2.86Å; N225-N461 HydrophobicContact CB-CB 4.27Å; N225-N461 CarbonylContact O-C 3.36Å; N225-N461 WeakPolarHBondContact O-CB 3.5Å; N225-N462 CarbonylContact O-C 2.85Å; N225-N462 PolarHBondContact O-N 3.45Å |
| 226 | D | 82.9 | Confident | 85 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | trans | -157.4 | 82.6 | -179.4 | -168.5 | -11 | 0 | 0 | 0 | 111.4 | L222 T228 K229 N462 | L222-D226 CarbonylContact O-C 3.51Å; L222-D226 WeakPolarHBondContact O-CA 3.43Å; L222-D226 PolarHBondContact O-N 3.36Å; D226-T228 PolarHBondContact O-N 2.91Å; D226-T228 PolarHBondContact OD1-N 3.24Å; D226-T228 PolarHBondContact OD1-OG1 3.49Å; D226-K229 HydrophobicContact CB-CD 4.46Å; D226-K229 PolarHBondContact O-N 3.29Å; D226-K229 VanDerWaalsContact OD2-CD 3.3Å; D226-K229 WeakPolarHBondContact OD2-CD 3.4Å; D226-K229 VanDerWaalsContact OD2-CE 3.24Å; D226-K229 WeakPolarHBondContact OD2-CE 3.34Å; D226-K229 IonicContact OD2-NZ 2.72Å; D226-K229 PolarHBondContact OD2-NZ 3.34Å; D226-N462 HydrophobicContact CB-CB 4.43Å; D226-N462 PolarHBondContact OD1-ND2 3.24Å; D226-N462 PolarHBondContact OD2-ND2 2.96Å | ||
| 227 | E | 84.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -53.7 | -30.9 | -177 | -168.7 | -163.1 | 153.1 | 0 | 0 | 112.8 | L222 K229 A230 R263 Q502 | L222-E227 PolarHBondContact O-N 3.06Å; E227-K229 VanDerWaalsContact C-N 3.27Å; E227-K229 PolarHBondContact O-N 3.48Å; E227-A230 WeakPolarHBondContact O-CB 3.45Å; E227-A230 PolarHBondContact O-N 2.91Å; E227-R263 VanDerWaalsContact CD-CD 3.48Å; E227-R263 WeakPolarHBondContact OE1-CD 3.43Å; E227-R263 VanDerWaalsContact OE1-CG 3.26Å; E227-R263 WeakPolarHBondContact OE1-CG 3.37Å; E227-Q502 WeakPolarHBondContact OE2-CB 3.33Å; E227-Q502 PolarHBondContact OE2-N 3.32Å |
| 228 | T | 85.4 | Confident | 86.3 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -70.3 | -23.3 | -176.5 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | D226 N462 P498 | D226-T228 PolarHBondContact O-N 2.91Å; D226-T228 PolarHBondContact OD1-N 3.24Å; D226-T228 PolarHBondContact OD1-OG1 3.49Å; T228-N462 PolarHBondContact OG1-ND2 3.48Å; T228-P498 HydrophobicContact CG2-CG 4.18Å |
| 229 | K | 85.3 | Confident | 86.6 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 38% | 0.383 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -91.1 | -15 | 175.8 | -71.1 | -176.4 | -176.4 | 126.7 | 0 | 113 | L222 D226 E227 V458 | L222-K229 HydrophobicContact CD2-CB 3.91Å; D226-K229 HydrophobicContact CB-CD 4.46Å; D226-K229 PolarHBondContact O-N 3.29Å; D226-K229 VanDerWaalsContact OD2-CD 3.3Å; D226-K229 WeakPolarHBondContact OD2-CD 3.4Å; D226-K229 VanDerWaalsContact OD2-CE 3.24Å; D226-K229 WeakPolarHBondContact OD2-CE 3.34Å; D226-K229 IonicContact OD2-NZ 2.72Å; D226-K229 PolarHBondContact OD2-NZ 3.34Å; E227-K229 VanDerWaalsContact C-N 3.27Å; E227-K229 PolarHBondContact O-N 3.48Å; K229-V458 HydrophobicContact CD-CG2 4.44Å; K229-V458 VanDerWaalsContact NZ-CG1 3.34Å; K229-V458 VanDerWaalsContact NZ-CG2 3.35Å |
| 230 | A | 86.7 | Confident | 86.9 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -69.4 | 155.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | L222 L223 E227 | L222-A230 HydrophobicContact CB-CB 3.81Å; L223-A230 HydrophobicContact CD2-CB 3.71Å; L223-A230 HydrophobicContact CG-CB 4.16Å; E227-A230 WeakPolarHBondContact O-CB 3.45Å; E227-A230 PolarHBondContact O-N 2.91Å |
| 231 | L | 89.2 | Confident | 87.2 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -55.4 | 144.7 | 171.7 | -75.8 | 176.6 | 0 | 0 | 0 | 110.5 | F215 L236 R263 | F215-L231 HydrophobicContact CE2-CD1 3.77Å; F215-L231 HydrophobicContact CZ-CD1 3.79Å; L231-L236 HydrophobicContact CB-CB 3.8Å; L231-L236 HydrophobicContact CB-CD1 4.39Å; L231-L236 HydrophobicContact CD1-CD1 4.26Å; L231-R263 PolarHBondContact O-NH1 3.44Å; L231-R263 PolarHBondContact O-NH2 2.55Å |
| 232 | T | 91.3 | Very high | 87.3 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -55.9 | 150.6 | 175.3 | 64 | 0 | 0 | 0 | 0 | 110.3 | A234 S235 L236 | T232-A234 PolarHBondContact O-N 3.27Å; T232-A234 VanDerWaalsContact O-N 3.08Å; T232-S235 PolarHBondContact N-OG 2.84Å; T232-S235 PolarHBondContact O-N 3.19Å; T232-S235 PolarHBondContact O-OG 3.21Å; T232-S235 WeakPolarHBondContact OG1-CB 3.35Å; T232-S235 PolarHBondContact OG1-N 3.03Å; T232-S235 PolarHBondContact OG1-OG 2.94Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 PolarHBondContact O-N 3.13Å |
| 233 | P | 91.8 | Very high | 87.1 | Confident | 47 Ų | 47 | 43 Ų | 43 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -52.4 | -40.5 | -174.1 | -27.4 | 31.7 | 0 | 0 | 0 | 114.4 | Q237 N260 V264 | P233-Q237 WeakPolarHBondContact O-CB 3.44Å; P233-Q237 PolarHBondContact O-N 3.38Å; P233-N260 WeakPolarHBondContact CA-OD1 3.3Å; P233-N260 PolarHBondContact O-ND2 3.27Å; P233-V264 HydrophobicContact CB-CG2 3.6Å; P233-V264 HydrophobicContact CG-CG2 3.94Å |
| 234 | A | 93.3 | Very high | 87.1 | Confident | 77 Ų | 77 | 44 Ų | 44 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -70.9 | -42.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T232 K238 | T232-A234 PolarHBondContact O-N 3.27Å; T232-A234 VanDerWaalsContact O-N 3.08Å; A234-K238 WeakPolarHBondContact O-CB 3.33Å; A234-K238 PolarHBondContact O-N 3.26Å |
| 235 | S | 92 | Very high | 86.9 | Confident | 42 Ų | 42 | 49 Ų | 49 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 178.7 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | T232 Q237 K238 E239 | T232-S235 PolarHBondContact N-OG 2.84Å; T232-S235 PolarHBondContact O-N 3.19Å; T232-S235 PolarHBondContact O-OG 3.21Å; T232-S235 WeakPolarHBondContact OG1-CB 3.35Å; T232-S235 PolarHBondContact OG1-N 3.03Å; T232-S235 PolarHBondContact OG1-OG 2.94Å; S235-Q237 VanDerWaalsContact C-N 3.35Å; S235-Q237 PolarHBondContact O-N 2.86Å; S235-K238 WeakPolarHBondContact O-CB 3.43Å; S235-K238 PolarHBondContact O-N 3.37Å; S235-E239 PolarHBondContact O-N 2.89Å |
| 236 | L | 92.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -46 | 175 | -175.8 | 53.7 | 0 | 0 | 0 | 111 | F215 Q219 L223 L231 T232 K238 E239 L240 L256 N260 | F215-L236 HydrophobicContact CE1-CD1 4.18Å; F215-L236 HydrophobicContact CZ-CD1 3.85Å; Q219-L236 HydrophobicContact CB-CD1 4.23Å; Q219-L236 HydrophobicContact CG-CD1 3.96Å; L223-L236 HydrophobicContact CD1-CD2 4.14Å; L231-L236 HydrophobicContact CB-CB 3.8Å; L231-L236 HydrophobicContact CB-CD1 4.39Å; L231-L236 HydrophobicContact CD1-CD1 4.26Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 PolarHBondContact O-N 3.13Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.95Å; L236-E239 PolarHBondContact O-N 3.37Å; L236-L240 HydrophobicContact CD1-CD1 4.41Å; L236-L240 HydrophobicContact CD1-CG 4.34Å; L236-L240 HydrophobicContact CG-CD1 4.12Å; L236-L240 HydrophobicContact CG-CG 4.5Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 2.94Å; L236-L256 HydrophobicContact CD1-CD2 4.07Å; L236-L256 HydrophobicContact CD2-CG 4.43Å; L236-N260 HydrophobicContact CD2-CB 4.11Å |
| 237 | Q | 94.3 | Very high | 85.8 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -36.9 | 178.7 | -164.1 | 62.5 | 40.3 | 0 | 0 | 112.3 | P233 S235 E239 L240 N241 S257 N260 | P233-Q237 WeakPolarHBondContact O-CB 3.44Å; P233-Q237 PolarHBondContact O-N 3.38Å; S235-Q237 VanDerWaalsContact C-N 3.35Å; S235-Q237 PolarHBondContact O-N 2.86Å; Q237-E239 VanDerWaalsContact C-N 3.33Å; Q237-L240 PolarHBondContact O-N 3.46Å; Q237-N241 PolarHBondContact NE2-OD1 2.9Å; Q237-N241 WeakPolarHBondContact O-CB 3.4Å; Q237-N241 PolarHBondContact O-N 3.02Å; Q237-N241 PolarHBondContact O-ND2 3.34Å; Q237-N241 PolarHBondContact O-OD1 3.39Å; Q237-S257 PolarHBondContact NE2-OG 3.47Å; Q237-S257 PolarHBondContact OE1-OG 3.04Å; Q237-N260 PolarHBondContact OE1-ND2 3.16Å |
| 238 | K | 89.8 | Confident | 85.2 | Confident | 143 Ų | 143 | 58 Ų | 58 | 62% | 0.622 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61 | -44.1 | 174.5 | -178.2 | -178.1 | 171.4 | -172.8 | 0 | 111 | A234 S235 L236 N241 N242 | A234-K238 WeakPolarHBondContact O-CB 3.33Å; A234-K238 PolarHBondContact O-N 3.26Å; S235-K238 WeakPolarHBondContact O-CB 3.43Å; S235-K238 PolarHBondContact O-N 3.37Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.95Å; K238-N241 PolarHBondContact O-N 3.27Å; K238-N242 VanDerWaalsContact O-CG 3.3Å; K238-N242 PolarHBondContact O-N 3.07Å; K238-N242 PolarHBondContact O-ND2 3.41Å |
| 239 | E | 86 | Confident | 84.6 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 179.2 | -163.2 | 55.4 | -153.3 | 0 | 0 | 111.9 | F215 S235 L236 Q237 N241 N242 L243 | F215-E239 HydrophobicContact CE1-CB 4.35Å; F215-E239 HydrophobicContact CE1-CG 3.82Å; F215-E239 HydrophobicContact CE2-CG 4.18Å; F215-E239 HydrophobicContact CZ-CB 3.98Å; F215-E239 HydrophobicContact CZ-CG 3.51Å; S235-E239 PolarHBondContact O-N 2.89Å; L236-E239 PolarHBondContact O-N 3.37Å; Q237-E239 VanDerWaalsContact C-N 3.33Å; E239-N241 PolarHBondContact O-N 2.7Å; E239-N242 PolarHBondContact O-N 2.98Å; E239-L243 WeakPolarHBondContact O-CB 3.24Å; E239-L243 PolarHBondContact O-N 3.31Å |
| 240 | L | 90.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 173.5 | -70.4 | 173.6 | 0 | 0 | 0 | 112.4 | L216 L236 Q237 N242 L243 L244 A253 L256 | L216-L240 HydrophobicContact CD2-CD2 3.42Å; L216-L240 VanDerWaalsContact CD2-CD2 3.42Å; L236-L240 HydrophobicContact CD1-CD1 4.41Å; L236-L240 HydrophobicContact CD1-CG 4.34Å; L236-L240 HydrophobicContact CG-CD1 4.12Å; L236-L240 HydrophobicContact CG-CG 4.5Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 2.94Å; Q237-L240 PolarHBondContact O-N 3.46Å; L240-N242 VanDerWaalsContact C-N 3.31Å; L240-N242 PolarHBondContact O-N 3.1Å; L240-L243 PolarHBondContact O-N 3.23Å; L240-L244 WeakPolarHBondContact O-CB 3.41Å; L240-L244 VanDerWaalsContact O-CG 3.32Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3.35Å; L240-A253 HydrophobicContact CD2-CB 3.93Å; L240-L256 HydrophobicContact CD1-CB 4.36Å; L240-L256 HydrophobicContact CD1-CG 4.25Å; L240-L256 HydrophobicContact CD2-CB 4.23Å; L240-L256 HydrophobicContact CD2-CD2 4.11Å; L240-L256 HydrophobicContact CD2-CG 4.4Å |
| 241 | N | 88.9 | Confident | 83.8 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 177 | -69.9 | -15.9 | 0 | 0 | 0 | 111.7 | Q237 K238 E239 K245 | Q237-N241 PolarHBondContact NE2-OD1 2.9Å; Q237-N241 WeakPolarHBondContact O-CB 3.4Å; Q237-N241 PolarHBondContact O-N 3.02Å; Q237-N241 PolarHBondContact O-ND2 3.34Å; Q237-N241 PolarHBondContact O-OD1 3.39Å; K238-N241 PolarHBondContact O-N 3.27Å; E239-N241 PolarHBondContact O-N 2.7Å; N241-K245 VanDerWaalsContact O-CG 3.3Å; N241-K245 WeakPolarHBondContact O-CG 3.33Å; N241-K245 PolarHBondContact O-N 3.36Å; N241-K245 VanDerWaalsContact O-N 3.13Å |
| 242 | N | 81.5 | Confident | 83.4 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 174.8 | -72.6 | -21.3 | 0 | 0 | 0 | 111.5 | K238 E239 L240 L244 K245 F246 | K238-N242 VanDerWaalsContact O-CG 3.3Å; K238-N242 PolarHBondContact O-N 3.07Å; K238-N242 PolarHBondContact O-ND2 3.41Å; E239-N242 PolarHBondContact O-N 2.98Å; L240-N242 VanDerWaalsContact C-N 3.31Å; L240-N242 PolarHBondContact O-N 3.1Å; N242-L244 VanDerWaalsContact C-N 3.34Å; N242-L244 PolarHBondContact O-N 2.86Å; N242-K245 WeakPolarHBondContact O-CB 3.18Å; N242-K245 PolarHBondContact O-N 3.02Å; N242-K245 PolarHBondContact OD1-NZ 3.36Å; N242-F246 VanDerWaalsContact O-CD2 3.22Å; N242-F246 WeakPolarHBondContact O-CD2 3.4Å; N242-F246 PolarHBondContact O-N 3.24Å |
| 243 | L | 79 | Confident | 83.1 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 176.5 | -165.7 | 166 | 0 | 0 | 0 | 110.9 | L207 A212 F215 L216 E239 L240 K245 F246 N247 F250 A253 | L207-L243 HydrophobicContact CD1-CD1 4.43Å; L207-L243 HydrophobicContact CD1-CG 4.49Å; A212-L243 HydrophobicContact CB-CD1 3.81Å; A212-L243 HydrophobicContact CB-CD2 4.38Å; A212-L243 HydrophobicContact CB-CG 4.19Å; F215-L243 HydrophobicContact CD1-CD1 4.47Å; L216-L243 HydrophobicContact CD2-CD1 4.27Å; L216-L243 HydrophobicContact CG-CD1 4.44Å; E239-L243 WeakPolarHBondContact O-CB 3.24Å; E239-L243 PolarHBondContact O-N 3.31Å; L240-L243 PolarHBondContact O-N 3.23Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 2.92Å; L243-F246 PolarHBondContact O-N 2.88Å; L243-N247 HydrophobicContact CD2-CB 4.3Å; L243-N247 PolarHBondContact O-N 3.4Å; L243-F250 HydrophobicContact CD1-CD1 4.39Å; L243-F250 HydrophobicContact CD1-CE1 4.18Å; L243-F250 HydrophobicContact CD2-CB 4.22Å; L243-F250 HydrophobicContact CD2-CD1 3.3Å; L243-F250 HydrophobicContact CD2-CE1 3.81Å; L243-F250 HydrophobicContact CD2-CG 4.09Å; L243-F250 HydrophobicContact CG-CD1 4.48Å; L243-A253 HydrophobicContact CD2-CB 4.23Å |
| 244 | L | 83.4 | Confident | 83 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -26 | 179.3 | -73.6 | 171.7 | 0 | 0 | 0 | 114 | L240 N242 F246 N247 P248 A253 H254 | L240-L244 WeakPolarHBondContact O-CB 3.41Å; L240-L244 VanDerWaalsContact O-CG 3.32Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3.35Å; N242-L244 VanDerWaalsContact C-N 3.34Å; N242-L244 PolarHBondContact O-N 2.86Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-N247 CarbonylContact O-C 3.57Å; L244-P248 VanDerWaalsContact O-CA 3.26Å; L244-P248 WeakPolarHBondContact O-CA 3.48Å; L244-A253 HydrophobicContact CD1-CB 4.38Å; L244-A253 HydrophobicContact CD2-CB 3.83Å; L244-A253 HydrophobicContact CG-CB 3.95Å; L244-H254 VanDerWaalsContact CD2-NE2 3.31Å; L244-H254 WeakPolarHBondContact CD2-NE2 3.37Å |
| 245 | K | 77.3 | Confident | 82.7 | Confident | 152 Ų | 152 | 47.6 Ų | 47.6 | 66% | 0.661 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.9 | -38.2 | 172.6 | -77.1 | 168.5 | -171.1 | 169 | 0 | 111.8 | N241 N242 L243 | N241-K245 VanDerWaalsContact O-CG 3.3Å; N241-K245 WeakPolarHBondContact O-CG 3.33Å; N241-K245 PolarHBondContact O-N 3.36Å; N241-K245 VanDerWaalsContact O-N 3.13Å; N242-K245 WeakPolarHBondContact O-CB 3.18Å; N242-K245 PolarHBondContact O-N 3.02Å; N242-K245 PolarHBondContact OD1-NZ 3.36Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 2.92Å |
| 246 | F | 67.3 | Low | 82.6 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -89.2 | -28.6 | -179.8 | -64.8 | -70.5 | 0 | 0 | 0 | 112.5 | P206 N242 L243 L244 | P206-F246 HydrophobicContact CB-CB 4.2Å; P206-F246 HydrophobicContact CB-CD1 4.21Å; P206-F246 HydrophobicContact CB-CG 4.14Å; N242-F246 VanDerWaalsContact O-CD2 3.22Å; N242-F246 WeakPolarHBondContact O-CD2 3.4Å; N242-F246 PolarHBondContact O-N 3.24Å; L243-F246 PolarHBondContact O-N 2.88Å; L244-F246 VanDerWaalsContact C-N 3.31Å |
| 247 | N | 72.2 | Confident | 82.6 | Confident | 58 Ų | 58 | 46 Ų | 46 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | trans | -132.3 | 75 | -177.5 | -58.5 | -75.3 | 0 | 0 | 0 | 110.4 | L243 L244 D249 F250 | L243-N247 HydrophobicContact CD2-CB 4.3Å; L243-N247 PolarHBondContact O-N 3.4Å; L244-N247 CarbonylContact O-C 3.57Å; N247-D249 PolarHBondContact O-N 3.15Å; N247-F250 HydrophobicContact CB-CB 4.28Å; N247-F250 WeakPolarHBondContact O-CB 3.2Å; N247-F250 PolarHBondContact O-N 3.07Å | ||
| 248 | P | 71.6 | Confident | 82.4 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.5 | -172.8 | 24.9 | -34.6 | 0 | 0 | 0 | 114.4 | L244 R280 | L244-P248 VanDerWaalsContact O-CA 3.26Å; L244-P248 WeakPolarHBondContact O-CA 3.48Å; P248-R280 VanDerWaalsContact O-CZ 3.29Å; P248-R280 PolarHBondContact O-NE 3.38Å; P248-R280 PolarHBondContact O-NH2 3.26Å |
| 249 | D | 72.3 | Confident | 82.3 | Confident | 119 Ų | 119 | 37.8 Ų | 37.8 | 64% | 0.636 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.6 | -176.3 | -60.2 | -37 | 0 | 0 | 0 | 113.6 | N247 A251 | N247-D249 PolarHBondContact O-N 3.15Å; D249-A251 PolarHBondContact O-N 3.48Å |
| 250 | F | 76.5 | Confident | 82.6 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | trans | -76.2 | 96.5 | -177.3 | -156.3 | -132.5 | 0 | 0 | 0 | 110.9 | A212 E213 L216 L243 N247 E252 A253 H254 | A212-F250 HydrophobicContact CB-CE1 3.77Å; A212-F250 HydrophobicContact CB-CZ 3.9Å; E213-F250 HydrophobicContact CB-CZ 4.31Å; E213-F250 HydrophobicContact CG-CE2 3.65Å; E213-F250 HydrophobicContact CG-CZ 3.38Å; L216-F250 HydrophobicContact CD1-CD1 3.64Å; L216-F250 HydrophobicContact CD1-CE1 3.03Å; L216-F250 HydrophobicContact CD1-CZ 3.73Å; L216-F250 HydrophobicContact CG-CE1 3.8Å; L243-F250 HydrophobicContact CD1-CD1 4.39Å; L243-F250 HydrophobicContact CD1-CE1 4.18Å; L243-F250 HydrophobicContact CD2-CB 4.22Å; L243-F250 HydrophobicContact CD2-CD1 3.3Å; L243-F250 HydrophobicContact CD2-CE1 3.81Å; L243-F250 HydrophobicContact CD2-CG 4.09Å; L243-F250 HydrophobicContact CG-CD1 4.48Å; N247-F250 HydrophobicContact CB-CB 4.28Å; N247-F250 WeakPolarHBondContact O-CB 3.2Å; N247-F250 PolarHBondContact O-N 3.07Å; F250-E252 VanDerWaalsContact C-N 3.26Å; F250-E252 WeakPolarHBondContact CD2-OE2 3.41Å; F250-E252 HydrophobicContact CE1-CB 4.42Å; F250-E252 WeakPolarHBondContact CE2-OE2 3.48Å; F250-E252 HydrophobicContact CZ-CB 4.42Å; F250-E252 PolarHBondContact O-N 2.9Å; F250-A253 HydrophobicContact CD1-CB 3.79Å; F250-A253 PolarHBondContact O-N 3.34Å; F250-H254 PolarHBondContact O-CD2 3.35Å | ||
| 251 | A | 79.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D249 A253 H254 Y255 Y277 R280 L281 | D249-A251 PolarHBondContact O-N 3.48Å; A251-A253 PolarHBondContact O-N 2.8Å; A251-H254 WeakPolarHBondContact O-CA 3.44Å; A251-H254 VanDerWaalsContact O-CB 3.3Å; A251-H254 WeakPolarHBondContact O-CB 3.33Å; A251-H254 PolarHBondContact O-N 3.1Å; A251-Y255 PolarHBondContact O-N 2.92Å; A251-Y255 VanDerWaalsContact O-N 3.11Å; A251-Y277 HydrophobicContact CB-CD2 3.68Å; A251-Y277 HydrophobicContact CB-CE2 4.03Å; A251-Y277 VanDerWaalsContact O-CD2 3.23Å; A251-Y277 WeakPolarHBondContact O-CD2 3.34Å; A251-R280 HydrophobicContact CB-CB 3.79Å; A251-L281 HydrophobicContact CB-CD2 4.19Å; A251-L281 HydrophobicContact CB-CG 4.29Å |
| 252 | E | 80.5 | Confident | 82.6 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -33.9 | -174.2 | -61.1 | 72.8 | -151.2 | 0 | 0 | 112.3 | V23 F24 L216 F250 H254 Y255 L256 | V23-E252 HydrophobicContact CG1-CB 4.42Å; V23-E252 HydrophobicContact CG1-CG 3.47Å; V23-E252 VanDerWaalsContact CG1-CG 3.47Å; V23-E252 WeakPolarHBondContact O-CG 3.32Å; F24-E252 HydrophobicContact CD1-CB 4.44Å; F24-E252 HydrophobicContact CD1-CG 4.18Å; F24-E252 HydrophobicContact CE1-CB 3.97Å; F24-E252 HydrophobicContact CE1-CG 4.07Å; L216-E252 HydrophobicContact CD1-CB 3.3Å; F250-E252 VanDerWaalsContact C-N 3.26Å; F250-E252 WeakPolarHBondContact CD2-OE2 3.41Å; F250-E252 HydrophobicContact CE1-CB 4.42Å; F250-E252 WeakPolarHBondContact CE2-OE2 3.48Å; F250-E252 HydrophobicContact CZ-CB 4.42Å; F250-E252 PolarHBondContact O-N 2.9Å; E252-H254 VanDerWaalsContact C-N 3.29Å; E252-H254 PolarHBondContact O-N 3.15Å; E252-Y255 PolarHBondContact O-N 3.45Å; E252-L256 PolarHBondContact O-N 3.47Å |
| 253 | A | 85.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -34.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L216 L240 L243 L244 F250 A251 L256 S257 | L216-A253 HydrophobicContact CD1-CB 4.2Å; L216-A253 VanDerWaalsContact CD1-N 3.32Å; L216-A253 HydrophobicContact CD2-CB 4.3Å; L240-A253 HydrophobicContact CD2-CB 3.93Å; L243-A253 HydrophobicContact CD2-CB 4.23Å; L244-A253 HydrophobicContact CD1-CB 4.38Å; L244-A253 HydrophobicContact CD2-CB 3.83Å; L244-A253 HydrophobicContact CG-CB 3.95Å; F250-A253 HydrophobicContact CD1-CB 3.79Å; F250-A253 PolarHBondContact O-N 3.34Å; A251-A253 PolarHBondContact O-N 2.8Å; A253-L256 PolarHBondContact O-N 3.3Å; A253-S257 WeakPolarHBondContact O-CB 3.48Å; A253-S257 PolarHBondContact O-N 3.11Å |
| 254 | H | 88.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -35.8 | 172.7 | -66.1 | -77.8 | 0 | 0 | 0 | 111.8 | L244 F250 A251 E252 S257 Y258 S273 H276 R280 | L244-H254 VanDerWaalsContact CD2-NE2 3.31Å; L244-H254 WeakPolarHBondContact CD2-NE2 3.37Å; F250-H254 PolarHBondContact O-CD2 3.35Å; A251-H254 WeakPolarHBondContact O-CA 3.44Å; A251-H254 VanDerWaalsContact O-CB 3.3Å; A251-H254 WeakPolarHBondContact O-CB 3.33Å; A251-H254 PolarHBondContact O-N 3.1Å; E252-H254 VanDerWaalsContact C-N 3.29Å; E252-H254 PolarHBondContact O-N 3.15Å; H254-S257 WeakPolarHBondContact O-CB 3.4Å; H254-S257 PolarHBondContact O-N 3.16Å; H254-Y258 PolarHBondContact O-N 3.05Å; H254-S273 WeakPolarHBondContact O-CB 3.2Å; H254-H276 HydrophobicContact CB-CB 4.18Å; H254-R280 PolarHBondContact NE2-NE 3.45Å; H254-R280 PolarHBondContact NE2-NH1 3.22Å; H254-R280 PolarHBondContact NE2-NH2 2.78Å |
| 255 | Y | 87.4 | Confident | 83.6 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 173.1 | -171.1 | -105.9 | 0 | 0 | 0 | 111.6 | A251 E252 Y258 L259 Y277 | A251-Y255 PolarHBondContact O-N 2.92Å; A251-Y255 VanDerWaalsContact O-N 3.11Å; E252-Y255 PolarHBondContact O-N 3.45Å; Y255-Y258 AromaticContact CD2-CD1 3.96Å; Y255-Y258 HydrophobicContact CD2-CD1 3.96Å; Y255-Y258 AromaticContact CE2-CD1 3.82Å; Y255-Y258 HydrophobicContact CE2-CD1 3.82Å; Y255-Y258 AromaticContact CE2-CE1 3.93Å; Y255-Y258 HydrophobicContact CE2-CE1 3.93Å; Y255-Y258 VanDerWaalsContact O-CB 3.29Å; Y255-Y258 WeakPolarHBondContact O-CB 3.29Å; Y255-Y258 PolarHBondContact O-N 3.4Å; Y255-L259 HydrophobicContact CD1-CD1 4.15Å; Y255-L259 HydrophobicContact CD1-CG 4.43Å; Y255-L259 HydrophobicContact CE1-CD1 3.79Å; Y255-L259 HydrophobicContact CE1-CD2 4.41Å; Y255-L259 HydrophobicContact CE1-CG 4.14Å; Y255-L259 PolarHBondContact O-N 2.88Å; Y255-Y277 AromaticContact CD2-CD1 3.85Å; Y255-Y277 HydrophobicContact CD2-CD1 3.85Å; Y255-Y277 AromaticContact CD2-CE1 3.85Å; Y255-Y277 HydrophobicContact CD2-CE1 3.85Å; Y255-Y277 HydrophobicContact CD2-CG 4.23Å; Y255-Y277 HydrophobicContact CE2-CE1 4.47Å; Y255-Y277 HydrophobicContact CG-CE1 4.44Å; Y255-Y277 HydrophobicContact CG-CE2 4.47Å |
| 256 | L | 89 | Confident | 84.3 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.4 | -36.5 | 175.2 | -170.9 | 58.1 | 0 | 0 | 0 | 112.1 | L216 Q219 A220 L223 L236 L240 E252 A253 Y258 L259 N260 | L216-L256 HydrophobicContact CB-CD2 4.43Å; L216-L256 HydrophobicContact CD2-CB 4.09Å; L216-L256 HydrophobicContact CD2-CD2 3.51Å; L216-L256 HydrophobicContact CD2-CG 4.42Å; Q219-L256 HydrophobicContact CB-CD1 4.39Å; Q219-L256 HydrophobicContact CB-CD2 3.56Å; Q219-L256 HydrophobicContact CG-CD2 4.46Å; A220-L256 HydrophobicContact CB-CD1 4.1Å; L223-L256 HydrophobicContact CD1-CD1 3.56Å; L236-L256 HydrophobicContact CD1-CD2 4.07Å; L236-L256 HydrophobicContact CD2-CG 4.43Å; L240-L256 HydrophobicContact CD1-CB 4.36Å; L240-L256 HydrophobicContact CD1-CG 4.25Å; L240-L256 HydrophobicContact CD2-CB 4.23Å; L240-L256 HydrophobicContact CD2-CD2 4.11Å; L240-L256 HydrophobicContact CD2-CG 4.4Å; E252-L256 PolarHBondContact O-N 3.47Å; A253-L256 PolarHBondContact O-N 3.3Å; L256-Y258 VanDerWaalsContact C-N 3.29Å; L256-Y258 PolarHBondContact O-N 2.95Å; L256-L259 HydrophobicContact CD1-CB 4.46Å; L256-L259 HydrophobicContact CD1-CD1 4.31Å; L256-L259 PolarHBondContact O-N 3.27Å; L256-N260 WeakPolarHBondContact O-CB 3.23Å; L256-N260 PolarHBondContact O-N 3.12Å |
| 257 | S | 92.4 | Very high | 85.5 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 169.9 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | Q237 A253 H254 N260 N261 S273 | Q237-S257 PolarHBondContact NE2-OG 3.47Å; Q237-S257 PolarHBondContact OE1-OG 3.04Å; A253-S257 WeakPolarHBondContact O-CB 3.48Å; A253-S257 PolarHBondContact O-N 3.11Å; H254-S257 WeakPolarHBondContact O-CB 3.4Å; H254-S257 PolarHBondContact O-N 3.16Å; S257-N260 PolarHBondContact O-N 2.66Å; S257-N261 WeakPolarHBondContact O-CB 3.37Å; S257-N261 VanDerWaalsContact O-CG 3.25Å; S257-N261 PolarHBondContact O-N 3.29Å; S257-N261 PolarHBondContact O-ND2 3.41Å; S257-N261 PolarHBondContact OG-ND2 3.46Å; S257-S273 PolarHBondContact OG-OG 3.35Å |
| 258 | Y | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 172.8 | 153.4 | -107.8 | 0 | 0 | 0 | 111.8 | H254 Y255 L256 N260 N261 L262 S270 L274 L310 | H254-Y258 PolarHBondContact O-N 3.05Å; Y255-Y258 AromaticContact CD2-CD1 3.96Å; Y255-Y258 HydrophobicContact CD2-CD1 3.96Å; Y255-Y258 AromaticContact CE2-CD1 3.82Å; Y255-Y258 HydrophobicContact CE2-CD1 3.82Å; Y255-Y258 AromaticContact CE2-CE1 3.93Å; Y255-Y258 HydrophobicContact CE2-CE1 3.93Å; Y255-Y258 VanDerWaalsContact O-CB 3.29Å; Y255-Y258 WeakPolarHBondContact O-CB 3.29Å; Y255-Y258 PolarHBondContact O-N 3.4Å; L256-Y258 VanDerWaalsContact C-N 3.29Å; L256-Y258 PolarHBondContact O-N 2.95Å; Y258-N260 VanDerWaalsContact C-N 3.31Å; Y258-N260 PolarHBondContact O-N 3.23Å; Y258-N261 PolarHBondContact O-N 3Å; Y258-L262 HydrophobicContact CD2-CD1 4.2Å; Y258-L262 HydrophobicContact CD2-CG 4.07Å; Y258-L262 HydrophobicContact CE1-CD1 3.89Å; Y258-L262 HydrophobicContact CE2-CD1 3.48Å; Y258-L262 VanDerWaalsContact CE2-CD1 3.48Å; Y258-L262 HydrophobicContact CE2-CD2 3.92Å; Y258-L262 HydrophobicContact CE2-CG 3.63Å; Y258-L262 WeakPolarHBondContact O-CG 3.47Å; Y258-L262 PolarHBondContact O-N 3.33Å; Y258-L262 WeakPolarHBondContact OH-CD1 3.24Å; Y258-S270 WeakPolarHBondContact CD2-O 3.48Å; Y258-L274 HydrophobicContact CD1-CD1 4.06Å; Y258-L274 HydrophobicContact CD2-CB 4.02Å; Y258-L274 HydrophobicContact CD2-CD1 4.3Å; Y258-L274 HydrophobicContact CE1-CD1 4.15Å; Y258-L274 HydrophobicContact CE2-CD1 4.4Å; Y258-L274 HydrophobicContact CE2-CD2 4.4Å; Y258-L274 HydrophobicContact CG-CB 4.27Å; Y258-L274 HydrophobicContact CG-CD1 4.12Å; Y258-L310 HydrophobicContact CD2-CD1 4.19Å; Y258-L310 HydrophobicContact CE2-CB 4.33Å; Y258-L310 HydrophobicContact CE2-CD1 3.74Å; Y258-L310 HydrophobicContact CE2-CG 4.18Å |
| 259 | L | 88.3 | Confident | 87.6 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.4 | -63.9 | 179.8 | 0 | 0 | 0 | 112.2 | F10 A220 L223 Y255 L256 L262 R263 | F10-L259 HydrophobicContact CD1-CD2 4.15Å; F10-L259 HydrophobicContact CE1-CD2 4.3Å; A220-L259 HydrophobicContact CB-CD1 4.45Å; L223-L259 HydrophobicContact CD1-CB 3.9Å; Y255-L259 HydrophobicContact CD1-CD1 4.15Å; Y255-L259 HydrophobicContact CD1-CG 4.43Å; Y255-L259 HydrophobicContact CE1-CD1 3.79Å; Y255-L259 HydrophobicContact CE1-CD2 4.41Å; Y255-L259 HydrophobicContact CE1-CG 4.14Å; Y255-L259 PolarHBondContact O-N 2.88Å; L256-L259 HydrophobicContact CD1-CB 4.46Å; L256-L259 HydrophobicContact CD1-CD1 4.31Å; L256-L259 PolarHBondContact O-N 3.27Å; L259-L262 HydrophobicContact CD2-CD1 4.32Å; L259-L262 WeakPolarHBondContact O-CB 3.38Å; L259-L262 PolarHBondContact O-N 3.37Å; L259-R263 PolarHBondContact O-N 3.39Å |
| 260 | N | 91.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.3 | -169.3 | 36.8 | 0 | 0 | 0 | 112 | P233 L236 Q237 L256 S257 Y258 R263 V264 | P233-N260 WeakPolarHBondContact CA-OD1 3.3Å; P233-N260 PolarHBondContact O-ND2 3.27Å; L236-N260 HydrophobicContact CD2-CB 4.11Å; Q237-N260 PolarHBondContact OE1-ND2 3.16Å; L256-N260 WeakPolarHBondContact O-CB 3.23Å; L256-N260 PolarHBondContact O-N 3.12Å; S257-N260 PolarHBondContact O-N 2.66Å; Y258-N260 VanDerWaalsContact C-N 3.31Å; Y258-N260 PolarHBondContact O-N 3.23Å; N260-R263 WeakPolarHBondContact O-CB 3.49Å; N260-R263 PolarHBondContact O-N 2.87Å; N260-R263 PolarHBondContact OD1-NE 2.98Å; N260-R263 PolarHBondContact OD1-NH2 2.83Å; N260-V264 PolarHBondContact O-N 3.4Å |
| 261 | N | 92.1 | Very high | 89.3 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.2 | -30.7 | 177 | -71.4 | -45.4 | 0 | 0 | 0 | 112.6 | S257 Y258 R263 V264 Q265 D266 S269 S270 S273 | S257-N261 WeakPolarHBondContact O-CB 3.37Å; S257-N261 VanDerWaalsContact O-CG 3.25Å; S257-N261 PolarHBondContact O-N 3.29Å; S257-N261 PolarHBondContact O-ND2 3.41Å; S257-N261 PolarHBondContact OG-ND2 3.46Å; Y258-N261 PolarHBondContact O-N 3Å; N261-R263 VanDerWaalsContact C-N 3.32Å; N261-V264 PolarHBondContact O-N 3.18Å; N261-Q265 PolarHBondContact O-N 3.03Å; N261-Q265 VanDerWaalsContact O-N 3.11Å; N261-D266 PolarHBondContact O-N 2.84Å; N261-S269 PolarHBondContact ND2-O 2.51Å; N261-S270 VanDerWaalsContact CB-OG 3.25Å; N261-S270 WeakPolarHBondContact CB-OG 3.46Å; N261-S270 PolarHBondContact O-OG 2.7Å; N261-S273 PolarHBondContact ND2-OG 2.89Å |
| 262 | L | 87.3 | Confident | 90 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 171.2 | -76.9 | 179.1 | 0 | 0 | 0 | 111.5 | Y258 L259 V264 Q265 S270 F314 | Y258-L262 HydrophobicContact CD2-CD1 4.2Å; Y258-L262 HydrophobicContact CD2-CG 4.07Å; Y258-L262 HydrophobicContact CE1-CD1 3.89Å; Y258-L262 HydrophobicContact CE2-CD1 3.48Å; Y258-L262 VanDerWaalsContact CE2-CD1 3.48Å; Y258-L262 HydrophobicContact CE2-CD2 3.92Å; Y258-L262 HydrophobicContact CE2-CG 3.63Å; Y258-L262 WeakPolarHBondContact O-CG 3.47Å; Y258-L262 PolarHBondContact O-N 3.33Å; Y258-L262 WeakPolarHBondContact OH-CD1 3.24Å; L259-L262 HydrophobicContact CD2-CD1 4.32Å; L259-L262 WeakPolarHBondContact O-CB 3.38Å; L259-L262 PolarHBondContact O-N 3.37Å; L262-V264 VanDerWaalsContact C-N 3.26Å; L262-V264 PolarHBondContact O-N 2.69Å; L262-Q265 PolarHBondContact O-N 3.27Å; L262-S270 PolarHBondContact N-OG 3.03Å; L262-F314 HydrophobicContact CD2-CE2 3.52Å; L262-F314 HydrophobicContact CD2-CZ 3.76Å |
| 263 | R | 86.5 | Confident | 90.5 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 19% | 0.185 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -37.2 | 175.7 | 168.5 | 171.6 | 61.8 | 165.1 | 4.7 | 112.4 | E227 L231 L259 N260 N261 Q265 | E227-R263 VanDerWaalsContact CD-CD 3.48Å; E227-R263 WeakPolarHBondContact OE1-CD 3.43Å; E227-R263 VanDerWaalsContact OE1-CG 3.26Å; E227-R263 WeakPolarHBondContact OE1-CG 3.37Å; L231-R263 PolarHBondContact O-NH1 3.44Å; L231-R263 PolarHBondContact O-NH2 2.55Å; L259-R263 PolarHBondContact O-N 3.39Å; N260-R263 WeakPolarHBondContact O-CB 3.49Å; N260-R263 PolarHBondContact O-N 2.87Å; N260-R263 PolarHBondContact OD1-NE 2.98Å; N260-R263 PolarHBondContact OD1-NH2 2.83Å; N261-R263 VanDerWaalsContact C-N 3.32Å; R263-Q265 VanDerWaalsContact C-N 3.26Å; R263-Q265 PolarHBondContact O-N 2.98Å |
| 264 | V | 89.8 | Confident | 90.7 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.5 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | P233 N260 N261 L262 D266 | P233-V264 HydrophobicContact CB-CG2 3.6Å; P233-V264 HydrophobicContact CG-CG2 3.94Å; N260-V264 PolarHBondContact O-N 3.4Å; N261-V264 PolarHBondContact O-N 3.18Å; L262-V264 VanDerWaalsContact C-N 3.26Å; L262-V264 PolarHBondContact O-N 2.69Å; V264-D266 PolarHBondContact O-N 3.23Å |
| 265 | Q | 88.6 | Confident | 90.8 | Very high | 149 Ų | 149 | 43.3 Ų | 43.3 | 70% | 0.696 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 28.3 | -175 | -51.8 | -176.2 | 10.9 | 0 | 0 | 114.1 | N261 L262 R263 V267 F314 | N261-Q265 PolarHBondContact O-N 3.03Å; N261-Q265 VanDerWaalsContact O-N 3.11Å; L262-Q265 PolarHBondContact O-N 3.27Å; R263-Q265 VanDerWaalsContact C-N 3.26Å; R263-Q265 PolarHBondContact O-N 2.98Å; Q265-V267 PolarHBondContact O-N 3.21Å; Q265-F314 HydrophobicContact CB-CE1 4.24Å |
| 266 | D | 92.5 | Very high | 90.9 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | trans | -87.9 | 99.8 | 175.1 | -176.3 | -14.6 | 0 | 0 | 0 | 110.7 | N261 V264 F268 S269 S270 | N261-D266 PolarHBondContact O-N 2.84Å; V264-D266 PolarHBondContact O-N 3.23Å; D266-F268 VanDerWaalsContact C-N 3.34Å; D266-F268 PolarHBondContact O-N 2.88Å; D266-F268 PolarHBondContact OD1-N 3.35Å; D266-S269 VanDerWaalsContact CG-CB 3.49Å; D266-S269 VanDerWaalsContact CG-OG 3.3Å; D266-S269 PolarHBondContact OD1-N 3.23Å; D266-S269 WeakPolarHBondContact OD2-CB 3.44Å; D266-S269 PolarHBondContact OD2-OG 2.93Å; D266-S270 WeakPolarHBondContact O-CB 3.34Å; D266-S270 PolarHBondContact O-N 3.02Å; D266-S270 PolarHBondContact O-OG 3.07Å | ||
| 267 | V | 92.6 | Very high | 90.7 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | Q265 T271 F314 | Q265-V267 PolarHBondContact O-N 3.21Å; V267-T271 WeakPolarHBondContact O-CB 3.26Å; V267-T271 PolarHBondContact O-N 2.92Å; V267-T271 PolarHBondContact O-OG1 3.02Å; V267-F314 HydrophobicContact CB-CD2 4.46Å; V267-F314 HydrophobicContact CB-CE1 4.5Å; V267-F314 HydrophobicContact CB-CE2 4.33Å; V267-F314 HydrophobicContact CB-CZ 4.34Å; V267-F314 HydrophobicContact CG1-CD2 4.24Å; V267-F314 HydrophobicContact CG1-CE2 4.41Å; V267-F314 HydrophobicContact CG2-CB 4.3Å; V267-F314 HydrophobicContact CG2-CD1 3.45Å; V267-F314 VanDerWaalsContact CG2-CD1 3.45Å; V267-F314 HydrophobicContact CG2-CD2 3.95Å; V267-F314 HydrophobicContact CG2-CE1 3.55Å; V267-F314 HydrophobicContact CG2-CE2 4.05Å; V267-F314 HydrophobicContact CG2-CG 3.65Å; V267-F314 HydrophobicContact CG2-CZ 3.85Å |
| 268 | F | 93.7 | Very high | 90.4 | Very high | 174 Ų | 174 | 45.2 Ų | 45.2 | 76% | 0.763 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -72 | -49.9 | -172.2 | -66.3 | -78.3 | 0 | 0 | 0 | 110.4 | D266 S270 T271 H272 | D266-F268 VanDerWaalsContact C-N 3.34Å; D266-F268 PolarHBondContact O-N 2.88Å; D266-F268 PolarHBondContact OD1-N 3.35Å; F268-S270 VanDerWaalsContact C-N 3.32Å; F268-S270 PolarHBondContact O-N 3.08Å; F268-T271 PolarHBondContact O-N 2.9Å; F268-H272 WeakPolarHBondContact O-CB 3.31Å; F268-H272 PolarHBondContact O-N 3.32Å |
| 269 | S | 93.3 | Very high | 90.2 | Very high | 44 Ų | 44 | 49 Ų | 49 | 31% | 0.308 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 178.4 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | N261 D266 S273 | N261-S269 PolarHBondContact ND2-O 2.51Å; D266-S269 VanDerWaalsContact CG-CB 3.49Å; D266-S269 VanDerWaalsContact CG-OG 3.3Å; D266-S269 PolarHBondContact OD1-N 3.23Å; D266-S269 WeakPolarHBondContact OD2-CB 3.44Å; D266-S269 PolarHBondContact OD2-OG 2.93Å; S269-S273 VanDerWaalsContact O-CB 3.29Å; S269-S273 WeakPolarHBondContact O-CB 3.41Å; S269-S273 PolarHBondContact O-N 3.14Å; S269-S273 PolarHBondContact O-OG 3.47Å |
| 270 | S | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 172.7 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | Y258 N261 L262 D266 F268 S273 L274 | Y258-S270 WeakPolarHBondContact CD2-O 3.48Å; N261-S270 VanDerWaalsContact CB-OG 3.25Å; N261-S270 WeakPolarHBondContact CB-OG 3.46Å; N261-S270 PolarHBondContact O-OG 2.7Å; L262-S270 PolarHBondContact N-OG 3.03Å; D266-S270 WeakPolarHBondContact O-CB 3.34Å; D266-S270 PolarHBondContact O-N 3.02Å; D266-S270 PolarHBondContact O-OG 3.07Å; F268-S270 VanDerWaalsContact C-N 3.32Å; F268-S270 PolarHBondContact O-N 3.08Å; S270-S273 PolarHBondContact O-N 3.22Å; S270-L274 WeakPolarHBondContact O-CB 3.33Å; S270-L274 PolarHBondContact O-N 3.27Å |
| 271 | T | 93 | Very high | 89.1 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -45.8 | -179.2 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | V267 F268 L274 L275 L307 | V267-T271 WeakPolarHBondContact O-CB 3.26Å; V267-T271 PolarHBondContact O-N 2.92Å; V267-T271 PolarHBondContact O-OG1 3.02Å; F268-T271 PolarHBondContact O-N 2.9Å; T271-L274 PolarHBondContact O-N 2.9Å; T271-L275 HydrophobicContact CG2-CD1 4.25Å; T271-L275 WeakPolarHBondContact O-CG 3.5Å; T271-L275 PolarHBondContact O-N 3.43Å; T271-L307 HydrophobicContact CG2-CD1 4.15Å |
| 272 | H | 93.8 | Very high | 88.3 | Confident | 115 Ų | 115 | 52.5 Ų | 52.5 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 178.7 | -174.8 | -94.9 | 0 | 0 | 0 | 112.3 | F268 L274 L275 H276 | F268-H272 WeakPolarHBondContact O-CB 3.31Å; F268-H272 PolarHBondContact O-N 3.32Å; H272-L274 VanDerWaalsContact C-N 3.35Å; H272-L274 PolarHBondContact O-N 2.97Å; H272-L275 PolarHBondContact O-N 3.46Å; H272-H276 AromaticContact CE1-CD2 3.21Å; H272-H276 PolarHBondContact CE1-CD2 3.36Å; H272-H276 AromaticContact CE1-NE2 2.98Å; H272-H276 PolarHBondContact CE1-NE2 3.43Å; H272-H276 AromaticContact ND1-CD2 3.47Å; H272-H276 PolarHBondContact ND1-CD2 3.44Å; H272-H276 AromaticContact ND1-NE2 3.75Å; H272-H276 AromaticContact NE2-CD2 3.9Å; H272-H276 AromaticContact NE2-NE2 3.4Å; H272-H276 PolarHBondContact NE2-NE2 3.33Å; H272-H276 PolarHBondContact O-N 3Å |
| 273 | S | 91.7 | Very high | 87.5 | Confident | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 177.1 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | H254 S257 N261 S269 S270 H276 Y277 | H254-S273 WeakPolarHBondContact O-CB 3.2Å; S257-S273 PolarHBondContact OG-OG 3.35Å; N261-S273 PolarHBondContact ND2-OG 2.89Å; S269-S273 VanDerWaalsContact O-CB 3.29Å; S269-S273 WeakPolarHBondContact O-CB 3.41Å; S269-S273 PolarHBondContact O-N 3.14Å; S269-S273 PolarHBondContact O-OG 3.47Å; S270-S273 PolarHBondContact O-N 3.22Å; S273-H276 PolarHBondContact O-N 2.92Å; S273-Y277 PolarHBondContact O-N 3.5Å; S273-Y277 VanDerWaalsContact O-N 3.08Å |
| 274 | L | 89.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.8 | -173.6 | 65.8 | 0 | 0 | 0 | 111.8 | Y258 S270 T271 H272 Y277 F278 N306 L310 | Y258-L274 HydrophobicContact CD1-CD1 4.06Å; Y258-L274 HydrophobicContact CD2-CB 4.02Å; Y258-L274 HydrophobicContact CD2-CD1 4.3Å; Y258-L274 HydrophobicContact CE1-CD1 4.15Å; Y258-L274 HydrophobicContact CE2-CD1 4.4Å; Y258-L274 HydrophobicContact CE2-CD2 4.4Å; Y258-L274 HydrophobicContact CG-CB 4.27Å; Y258-L274 HydrophobicContact CG-CD1 4.12Å; S270-L274 WeakPolarHBondContact O-CB 3.33Å; S270-L274 PolarHBondContact O-N 3.27Å; T271-L274 PolarHBondContact O-N 2.9Å; H272-L274 VanDerWaalsContact C-N 3.35Å; H272-L274 PolarHBondContact O-N 2.97Å; L274-Y277 WeakPolarHBondContact O-CB 3.42Å; L274-Y277 PolarHBondContact O-N 3.28Å; L274-F278 HydrophobicContact CD1-CD2 4.18Å; L274-F278 HydrophobicContact CD1-CE2 3.7Å; L274-F278 HydrophobicContact CG-CD2 4.22Å; L274-F278 HydrophobicContact CG-CE2 4.11Å; L274-F278 VanDerWaalsContact O-CD2 3.29Å; L274-F278 WeakPolarHBondContact O-CD2 3.23Å; L274-F278 PolarHBondContact O-N 3.45Å; L274-N306 HydrophobicContact CD1-CB 4.09Å; L274-N306 HydrophobicContact CD2-CB 4.08Å; L274-L310 HydrophobicContact CB-CD1 4.45Å; L274-L310 HydrophobicContact CD2-CB 4.29Å; L274-L310 HydrophobicContact CD2-CD1 3.86Å |
| 275 | L | 90.4 | Very high | 85 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.9 | -69 | 173.2 | 0 | 0 | 0 | 111.1 | T271 H272 Y277 F278 D279 | T271-L275 HydrophobicContact CG2-CD1 4.25Å; T271-L275 WeakPolarHBondContact O-CG 3.5Å; T271-L275 PolarHBondContact O-N 3.43Å; H272-L275 PolarHBondContact O-N 3.46Å; L275-Y277 VanDerWaalsContact C-N 3.27Å; L275-Y277 PolarHBondContact O-N 3.01Å; L275-F278 PolarHBondContact O-N 2.92Å; L275-F278 VanDerWaalsContact O-N 3.1Å; L275-D279 WeakPolarHBondContact O-CB 3.27Å; L275-D279 VanDerWaalsContact O-CG 3.26Å; L275-D279 PolarHBondContact O-N 2.88Å |
| 276 | H | 88.5 | Confident | 83 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -33.2 | 177 | -87.3 | -40.4 | 0 | 0 | 0 | 114.6 | H254 H272 S273 R280 | H254-H276 HydrophobicContact CB-CB 4.18Å; H272-H276 AromaticContact CE1-CD2 3.21Å; H272-H276 PolarHBondContact CE1-CD2 3.36Å; H272-H276 AromaticContact CE1-NE2 2.98Å; H272-H276 PolarHBondContact CE1-NE2 3.43Å; H272-H276 AromaticContact ND1-CD2 3.47Å; H272-H276 PolarHBondContact ND1-CD2 3.44Å; H272-H276 AromaticContact ND1-NE2 3.75Å; H272-H276 AromaticContact NE2-CD2 3.9Å; H272-H276 AromaticContact NE2-NE2 3.4Å; H272-H276 PolarHBondContact NE2-NE2 3.33Å; H272-H276 PolarHBondContact O-N 3Å; S273-H276 PolarHBondContact O-N 2.92Å; H276-R280 PolarHBondContact ND1-NH1 3.38Å; H276-R280 WeakPolarHBondContact O-CB 3.25Å; H276-R280 WeakPolarHBondContact O-CD 3.26Å; H276-R280 WeakPolarHBondContact O-CG 3.39Å; H276-R280 PolarHBondContact O-N 2.9Å |
| 277 | Y | 86.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -51.8 | 172 | 168.8 | -115.7 | 0 | 0 | 0 | 110.8 | M13 A251 Y255 S273 L274 L275 R280 L281 | M13-Y277 HydrophobicContact SD-CE1 3.91Å; A251-Y277 HydrophobicContact CB-CD2 3.68Å; A251-Y277 HydrophobicContact CB-CE2 4.03Å; A251-Y277 VanDerWaalsContact O-CD2 3.23Å; A251-Y277 WeakPolarHBondContact O-CD2 3.34Å; Y255-Y277 AromaticContact CD2-CD1 3.85Å; Y255-Y277 HydrophobicContact CD2-CD1 3.85Å; Y255-Y277 AromaticContact CD2-CE1 3.85Å; Y255-Y277 HydrophobicContact CD2-CE1 3.85Å; Y255-Y277 HydrophobicContact CD2-CG 4.23Å; Y255-Y277 HydrophobicContact CE2-CE1 4.47Å; Y255-Y277 HydrophobicContact CG-CE1 4.44Å; Y255-Y277 HydrophobicContact CG-CE2 4.47Å; S273-Y277 PolarHBondContact O-N 3.5Å; S273-Y277 VanDerWaalsContact O-N 3.08Å; L274-Y277 WeakPolarHBondContact O-CB 3.42Å; L274-Y277 PolarHBondContact O-N 3.28Å; L275-Y277 VanDerWaalsContact C-N 3.27Å; L275-Y277 PolarHBondContact O-N 3.01Å; Y277-R280 PolarHBondContact O-N 3.46Å; Y277-L281 HydrophobicContact CD1-CD1 4.3Å; Y277-L281 HydrophobicContact CD2-CD1 4.37Å; Y277-L281 HydrophobicContact CD2-CG 4.47Å; Y277-L281 HydrophobicContact CE1-CD1 3.72Å; Y277-L281 HydrophobicContact CE2-CD1 3.83Å; Y277-L281 HydrophobicContact CE2-CD2 4.48Å; Y277-L281 HydrophobicContact CE2-CG 4.16Å; Y277-L281 VanDerWaalsContact CZ-CD1 3.48Å; Y277-L281 WeakPolarHBondContact O-CG 3.36Å; Y277-L281 PolarHBondContact O-N 3.42Å; Y277-L281 VanDerWaalsContact O-N 3.11Å |
| 278 | F | 85.5 | Confident | 78.1 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.5 | -38.7 | -178 | -76.9 | -70.6 | 0 | 0 | 0 | 113.6 | M13 L274 L275 R280 L281 I282 S299 Y302 A303 N306 | M13-F278 HydrophobicContact CE-CE1 3.7Å; M13-F278 HydrophobicContact CE-CZ 4.06Å; M13-F278 HydrophobicContact SD-CE1 3.87Å; M13-F278 HydrophobicContact SD-CZ 3.6Å; M13-F278 VanDerWaalsContact SD-CZ 3.6Å; L274-F278 HydrophobicContact CD1-CD2 4.18Å; L274-F278 HydrophobicContact CD1-CE2 3.7Å; L274-F278 HydrophobicContact CG-CD2 4.22Å; L274-F278 HydrophobicContact CG-CE2 4.11Å; L274-F278 VanDerWaalsContact O-CD2 3.29Å; L274-F278 WeakPolarHBondContact O-CD2 3.23Å; L274-F278 PolarHBondContact O-N 3.45Å; L275-F278 PolarHBondContact O-N 2.92Å; L275-F278 VanDerWaalsContact O-N 3.1Å; F278-R280 PolarHBondContact O-N 3.23Å; F278-L281 HydrophobicContact CD1-CD1 4.23Å; F278-L281 HydrophobicContact CE1-CD1 4.43Å; F278-L281 PolarHBondContact O-N 2.89Å; F278-I282 WeakPolarHBondContact O-CB 3.46Å; F278-I282 WeakPolarHBondContact O-CD1 3.39Å; F278-I282 VanDerWaalsContact O-CG1 3.23Å; F278-I282 WeakPolarHBondContact O-CG1 3.37Å; F278-I282 PolarHBondContact O-N 3.41Å; F278-S299 WeakPolarHBondContact CD1-O 3.38Å; F278-Y302 WeakPolarHBondContact CZ-O 3.41Å; F278-A303 HydrophobicContact CB-CB 3.76Å; F278-A303 HydrophobicContact CD1-CB 3.69Å; F278-A303 HydrophobicContact CD2-CB 3.66Å; F278-A303 HydrophobicContact CE1-CB 4.18Å; F278-A303 HydrophobicContact CE2-CB 4.17Å; F278-A303 HydrophobicContact CG-CB 3.4Å; F278-A303 VanDerWaalsContact CG-CB 3.4Å; F278-A303 HydrophobicContact CZ-CB 4.41Å; F278-N306 HydrophobicContact CE2-CB 3.87Å; F278-N306 HydrophobicContact CZ-CB 4.11Å |
| 279 | D | 85.9 | Confident | 75.6 | Confident | 80 Ų | 80 | 58.5 Ų | 58.5 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.3 | -41.4 | 175.1 | -70.6 | -19.6 | 0 | 0 | 0 | 110.7 | L275 I282 L283 | L275-D279 WeakPolarHBondContact O-CB 3.27Å; L275-D279 VanDerWaalsContact O-CG 3.26Å; L275-D279 PolarHBondContact O-N 2.88Å; D279-I282 WeakPolarHBondContact O-CB 3.14Å; D279-I282 PolarHBondContact O-N 3.46Å; D279-L283 WeakPolarHBondContact O-CB 3.32Å; D279-L283 VanDerWaalsContact O-CG 3.23Å; D279-L283 WeakPolarHBondContact O-CG 3.46Å; D279-L283 PolarHBondContact O-N 3.27Å |
| 280 | R | 81.5 | Confident | 73.3 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 18% | 0.181 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 177.1 | -76.4 | 171.7 | 168.5 | 71.1 | 3.3 | 113 | P248 A251 H254 H276 Y277 F278 I282 L283 T284 | P248-R280 VanDerWaalsContact O-CZ 3.29Å; P248-R280 PolarHBondContact O-NE 3.38Å; P248-R280 PolarHBondContact O-NH2 3.26Å; A251-R280 HydrophobicContact CB-CB 3.79Å; H254-R280 PolarHBondContact NE2-NE 3.45Å; H254-R280 PolarHBondContact NE2-NH1 3.22Å; H254-R280 PolarHBondContact NE2-NH2 2.78Å; H276-R280 PolarHBondContact ND1-NH1 3.38Å; H276-R280 WeakPolarHBondContact O-CB 3.25Å; H276-R280 WeakPolarHBondContact O-CD 3.26Å; H276-R280 WeakPolarHBondContact O-CG 3.39Å; H276-R280 PolarHBondContact O-N 2.9Å; Y277-R280 PolarHBondContact O-N 3.46Å; F278-R280 PolarHBondContact O-N 3.23Å; R280-I282 VanDerWaalsContact C-N 3.26Å; R280-I282 PolarHBondContact O-N 3.14Å; R280-L283 PolarHBondContact O-N 2.96Å; R280-T284 WeakPolarHBondContact O-CB 3.5Å; R280-T284 WeakPolarHBondContact O-CG2 3.38Å; R280-T284 PolarHBondContact O-N 3.29Å; R280-T284 PolarHBondContact O-OG1 2.71Å |
| 281 | L | 76.8 | Confident | 70.7 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 172.6 | -71.2 | -178.9 | 0 | 0 | 0 | 112 | A251 Y277 F278 T284 G285 | A251-L281 HydrophobicContact CB-CD2 4.19Å; A251-L281 HydrophobicContact CB-CG 4.29Å; Y277-L281 HydrophobicContact CD1-CD1 4.3Å; Y277-L281 HydrophobicContact CD2-CD1 4.37Å; Y277-L281 HydrophobicContact CD2-CG 4.47Å; Y277-L281 HydrophobicContact CE1-CD1 3.72Å; Y277-L281 HydrophobicContact CE2-CD1 3.83Å; Y277-L281 HydrophobicContact CE2-CD2 4.48Å; Y277-L281 HydrophobicContact CE2-CG 4.16Å; Y277-L281 VanDerWaalsContact CZ-CD1 3.48Å; Y277-L281 WeakPolarHBondContact O-CG 3.36Å; Y277-L281 PolarHBondContact O-N 3.42Å; Y277-L281 VanDerWaalsContact O-N 3.11Å; F278-L281 HydrophobicContact CD1-CD1 4.23Å; F278-L281 HydrophobicContact CE1-CD1 4.43Å; F278-L281 PolarHBondContact O-N 2.89Å; L281-T284 PolarHBondContact O-OG1 3.19Å; L281-G285 PolarHBondContact O-N 3.44Å |
| 282 | I | 74.2 | Confident | 68.3 | Low | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.6 | -48.3 | 176.2 | -73.1 | 165.5 | 0 | 0 | 0 | 110.6 | F278 D279 R280 A286 Y296 L300 | F278-I282 WeakPolarHBondContact O-CB 3.46Å; F278-I282 WeakPolarHBondContact O-CD1 3.39Å; F278-I282 VanDerWaalsContact O-CG1 3.23Å; F278-I282 WeakPolarHBondContact O-CG1 3.37Å; F278-I282 PolarHBondContact O-N 3.41Å; D279-I282 WeakPolarHBondContact O-CB 3.14Å; D279-I282 PolarHBondContact O-N 3.46Å; R280-I282 VanDerWaalsContact C-N 3.26Å; R280-I282 PolarHBondContact O-N 3.14Å; I282-A286 PolarHBondContact O-N 2.95Å; I282-Y296 HydrophobicContact CG2-CD2 3.56Å; I282-Y296 HydrophobicContact CG2-CE2 3.41Å; I282-Y296 VanDerWaalsContact CG2-CE2 3.41Å; I282-L300 HydrophobicContact CD1-CD2 3.67Å; I282-L300 HydrophobicContact CD1-CG 4.13Å |
| 283 | L | 71.9 | Confident | 65.9 | Low | 125 Ų | 125 | 69.9 Ų | 69.9 | 65% | 0.654 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.1 | -42.8 | -178.8 | -69.3 | 171 | 0 | 0 | 0 | 112.5 | D279 R280 A286 | D279-L283 WeakPolarHBondContact O-CB 3.32Å; D279-L283 VanDerWaalsContact O-CG 3.23Å; D279-L283 WeakPolarHBondContact O-CG 3.46Å; D279-L283 PolarHBondContact O-N 3.27Å; R280-L283 PolarHBondContact O-N 2.96Å; L283-A286 WeakPolarHBondContact O-CB 3.32Å; L283-A286 PolarHBondContact O-N 3.09Å |
| 284 | T | 64.5 | Low | 63.9 | Low | 68 Ų | 68 | 76.2 Ų | 76.2 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.7 | -33.5 | 178.9 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | R280 L281 A286 E287 | R280-T284 WeakPolarHBondContact O-CB 3.5Å; R280-T284 WeakPolarHBondContact O-CG2 3.38Å; R280-T284 PolarHBondContact O-N 3.29Å; R280-T284 PolarHBondContact O-OG1 2.71Å; L281-T284 PolarHBondContact O-OG1 3.19Å; T284-A286 PolarHBondContact O-N 3.42Å; T284-E287 PolarHBondContact O-N 3.45Å |
| 285 | G | 57.6 | Low | 62.4 | Low | 18 Ų | 18 | 77.2 Ų | 77.2 | 19% | 0.186 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60 | -33 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L281 E287 S288 | L281-G285 PolarHBondContact O-N 3.44Å; G285-E287 PolarHBondContact O-N 2.62Å; G285-S288 PolarHBondContact O-N 2.82Å; G285-S288 PolarHBondContact O-OG 2.7Å |
| 286 | A | 47.1 | Very low | 60.8 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 60% | 0.603 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | I282 L283 T284 | I282-A286 PolarHBondContact O-N 2.95Å; L283-A286 WeakPolarHBondContact O-CB 3.32Å; L283-A286 PolarHBondContact O-N 3.09Å; T284-A286 PolarHBondContact O-N 3.42Å |
| 287 | E | 43 | Very low | 59.6 | Low | 157 Ų | 157 | 77.4 Ų | 77.4 | 73% | 0.734 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -23.8 | 178.9 | -62.6 | -170.7 | 157.6 | 0 | 0 | 112.7 | T284 G285 K289 | T284-E287 PolarHBondContact O-N 3.45Å; G285-E287 PolarHBondContact O-N 2.62Å; E287-K289 PolarHBondContact O-N 3.43Å |
| 288 | S | 40.3 | Very low | 58.8 | Low | 56 Ų | 56 | 82.1 Ų | 82.1 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | trans | -78.7 | 83.4 | -179.9 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | G285 S290 N291 | G285-S288 PolarHBondContact O-N 2.82Å; G285-S288 PolarHBondContact O-OG 2.7Å; S288-S290 PolarHBondContact O-N 2.72Å; S288-N291 PolarHBondContact O-N 2.72Å | ||
| 289 | K | 40.5 | Very low | 58.2 | Low | 202 Ų | 202 | 82.8 Ų | 82.8 | 88% | 0.878 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -12.9 | -178 | -74.1 | -175.3 | 176.9 | 178.2 | 0 | 116.1 | E287 | E287-K289 PolarHBondContact O-N 3.43Š|
| 290 | S | 43.8 | Very low | 58 | Low | 108 Ų | 108 | 81.7 Ų | 81.7 | 76% | 0.755 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -27 | -178.6 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | S288 | S288-S290 PolarHBondContact O-N 2.72Š|
| 291 | N | 38.1 | Very low | 58 | Low | 98 Ų | 98 | 80.4 Ų | 80.4 | 52% | 0.524 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -136.1 | 30.4 | -176.5 | -74.5 | 4.4 | 0 | 0 | 0 | 113.4 | S288 E293 E294 G295 | S288-N291 PolarHBondContact O-N 2.72Å; N291-E293 VanDerWaalsContact C-N 3.34Å; N291-E293 PolarHBondContact O-N 3.42Å; N291-E293 VanDerWaalsContact O-N 3.09Å; N291-E294 PolarHBondContact O-N 3.21Å; N291-G295 PolarHBondContact O-N 3.11Å; N291-G295 VanDerWaalsContact O-N 3.15Å |
| 292 | G | 42.5 | Very low | 58.4 | Low | 39 Ų | 39 | 79 Ų | 79 | 40% | 0.402 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -53.3 | -34 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 293 | E | 44.6 | Very low | 58.9 | Low | 184 Ų | 184 | 78.6 Ų | 78.6 | 86% | 0.86 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -82.7 | -33.5 | 177.9 | -70.5 | -172.9 | 166.8 | 0 | 0 | 113.1 | N291 | N291-E293 VanDerWaalsContact C-N 3.34Å; N291-E293 PolarHBondContact O-N 3.42Å; N291-E293 VanDerWaalsContact O-N 3.09Å |
| 294 | E | 49.8 | Very low | 59.8 | Low | 140 Ų | 140 | 73.2 Ų | 73.2 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.6 | -34.7 | -179 | -70.6 | -172.7 | 165.4 | 0 | 0 | 112.4 | N291 R298 | N291-E294 PolarHBondContact O-N 3.21Å; E294-R298 VanDerWaalsContact O-CB 3.24Å; E294-R298 WeakPolarHBondContact O-CB 3.47Å; E294-R298 PolarHBondContact O-N 2.6Å |
| 295 | G | 56.6 | Low | 60.9 | Low | 24 Ų | 24 | 70 Ų | 70 | 25% | 0.247 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N291 R298 S299 | N291-G295 PolarHBondContact O-N 3.11Å; N291-G295 VanDerWaalsContact O-N 3.15Å; G295-R298 PolarHBondContact O-N 3.28Å; G295-S299 PolarHBondContact O-N 2.92Å; G295-S299 VanDerWaalsContact O-N 3.09Å; G295-S299 PolarHBondContact O-OG 3.43Å |
| 296 | Y | 57.6 | Low | 62.3 | Low | 130 Ų | 130 | 69.1 Ų | 69.1 | 51% | 0.51 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -51.5 | 179.3 | -178.3 | -94.3 | 0 | 0 | 0 | 111.6 | I282 R298 S299 L300 | I282-Y296 HydrophobicContact CG2-CD2 3.56Å; I282-Y296 HydrophobicContact CG2-CE2 3.41Å; I282-Y296 VanDerWaalsContact CG2-CE2 3.41Å; Y296-R298 VanDerWaalsContact C-N 3.3Å; Y296-R298 PolarHBondContact O-N 3.45Å; Y296-S299 PolarHBondContact O-N 3.45Å; Y296-L300 HydrophobicContact CD1-CD1 3.86Å; Y296-L300 HydrophobicContact CE1-CD1 3.27Å; Y296-L300 HydrophobicContact CE1-CG 4.27Å; Y296-L300 PolarHBondContact O-N 3.43Å |
| 297 | G | 63.1 | Low | 64.3 | Low | 12 Ų | 12 | 67.8 Ų | 67.8 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.3 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | R301 | G297-R301 VanDerWaalsContact O-CG 3.29Å; G297-R301 WeakPolarHBondContact O-CG 3.45Å; G297-R301 PolarHBondContact O-N 2.94Å; G297-R301 PolarHBondContact O-NH1 2.92Å |
| 298 | R | 69 | Low | 66.5 | Low | 101 Ų | 101 | 60.3 Ų | 60.3 | 38% | 0.381 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -52.3 | 177.6 | -172.9 | -178.9 | -177.7 | 159.3 | 2.5 | 111.5 | G17 V18 E294 G295 Y296 L300 R301 Y302 | G17-R298 PolarHBondContact O-NH2 3.45Å; V18-R298 VanDerWaalsContact C-NH2 3.32Å; V18-R298 VanDerWaalsContact O-CZ 3.31Å; V18-R298 PolarHBondContact O-NE 3.09Å; V18-R298 PolarHBondContact O-NH2 3.3Å; E294-R298 VanDerWaalsContact O-CB 3.24Å; E294-R298 WeakPolarHBondContact O-CB 3.47Å; E294-R298 PolarHBondContact O-N 2.6Å; G295-R298 PolarHBondContact O-N 3.28Å; Y296-R298 VanDerWaalsContact C-N 3.3Å; Y296-R298 PolarHBondContact O-N 3.45Å; R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 3.46Å; R298-R301 PolarHBondContact O-N 2.89Å; R298-Y302 HydrophobicContact CG-CD2 3.95Å; R298-Y302 HydrophobicContact CG-CE2 3.84Å; R298-Y302 WeakPolarHBondContact O-CD2 3.48Å; R298-Y302 PolarHBondContact O-N 3.05Å |
| 299 | S | 74.5 | Confident | 68.7 | Low | 16 Ų | 16 | 57.6 Ų | 57.6 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | -177.2 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | F278 G295 Y296 R301 Y302 A303 | F278-S299 WeakPolarHBondContact CD1-O 3.38Å; G295-S299 PolarHBondContact O-N 2.92Å; G295-S299 VanDerWaalsContact O-N 3.09Å; G295-S299 PolarHBondContact O-OG 3.43Å; Y296-S299 PolarHBondContact O-N 3.45Å; S299-R301 PolarHBondContact O-N 3.25Å; S299-Y302 PolarHBondContact O-N 3.15Å; S299-A303 WeakPolarHBondContact O-CB 3.46Å; S299-A303 PolarHBondContact O-N 3.13Å |
| 300 | L | 80.6 | Confident | 71 | Confident | 57 Ų | 57 | 48 Ų | 48 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 177.6 | -73.4 | 175.9 | 0 | 0 | 0 | 113.3 | I282 Y296 R298 Y302 A303 A304 | I282-L300 HydrophobicContact CD1-CD2 3.67Å; I282-L300 HydrophobicContact CD1-CG 4.13Å; Y296-L300 HydrophobicContact CD1-CD1 3.86Å; Y296-L300 HydrophobicContact CE1-CD1 3.27Å; Y296-L300 HydrophobicContact CE1-CG 4.27Å; Y296-L300 PolarHBondContact O-N 3.43Å; R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 3.46Å; L300-Y302 PolarHBondContact O-N 3.38Å; L300-A303 WeakPolarHBondContact O-CB 3.32Å; L300-A303 PolarHBondContact O-N 3.45Å; L300-A304 PolarHBondContact O-N 2.89Å |
| 301 | R | 82.8 | Confident | 73.2 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 178.9 | -70.2 | -174.4 | -60.9 | -99.9 | 14.2 | 111.8 | G297 R298 S299 A303 L305 I330 A331 S334 D336 | G297-R301 VanDerWaalsContact O-CG 3.29Å; G297-R301 WeakPolarHBondContact O-CG 3.45Å; G297-R301 PolarHBondContact O-N 2.94Å; G297-R301 PolarHBondContact O-NH1 2.92Å; R298-R301 PolarHBondContact O-N 2.89Å; S299-R301 PolarHBondContact O-N 3.25Å; R301-A303 VanDerWaalsContact C-N 3.35Å; R301-L305 WeakPolarHBondContact O-CB 3.44Å; R301-L305 PolarHBondContact O-N 3.38Å; R301-L305 VanDerWaalsContact O-N 3.11Å; R301-I330 HydrophobicContact CG-CB 3.72Å; R301-I330 HydrophobicContact CG-CG2 3.27Å; R301-A331 HydrophobicContact CG-CB 4.48Å; R301-S334 PolarHBondContact NH1-OG 3.15Å; R301-D336 IonicContact CZ-OD2 3.04Å; R301-D336 IonicContact NE-OD2 2.94Å; R301-D336 PolarHBondContact NE-OD2 3.02Å; R301-D336 IonicContact NH2-OD2 3.48Å; R301-D336 PolarHBondContact NH2-OD2 3.36Å |
| 302 | Y | 83.5 | Confident | 75.6 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.1 | -26.3 | -179.8 | -69.2 | -75.2 | 0 | 0 | 0 | 112.4 | M13 V18 F278 R298 S299 L300 L305 N306 C339 | M13-Y302 HydrophobicContact CE-CG 4.05Å; V18-Y302 HydrophobicContact CB-CE1 4.12Å; V18-Y302 HydrophobicContact CG1-CD1 3.59Å; V18-Y302 HydrophobicContact CG1-CD2 3.66Å; V18-Y302 HydrophobicContact CG1-CE1 3.25Å; V18-Y302 HydrophobicContact CG1-CE2 3.35Å; V18-Y302 HydrophobicContact CG1-CG 3.81Å; V18-Y302 HydrophobicContact CG2-CE1 3.87Å; V18-Y302 VanDerWaalsContact CG2-OH 3.26Å; V18-Y302 WeakPolarHBondContact CG2-OH 3.47Å; F278-Y302 WeakPolarHBondContact CZ-O 3.41Å; R298-Y302 HydrophobicContact CG-CD2 3.95Å; R298-Y302 HydrophobicContact CG-CE2 3.84Å; R298-Y302 WeakPolarHBondContact O-CD2 3.48Å; R298-Y302 PolarHBondContact O-N 3.05Å; S299-Y302 PolarHBondContact O-N 3.15Å; L300-Y302 PolarHBondContact O-N 3.38Å; Y302-L305 HydrophobicContact CD1-CD2 3.98Å; Y302-L305 HydrophobicContact CE1-CD2 4.25Å; Y302-L305 PolarHBondContact O-N 2.94Å; Y302-N306 WeakPolarHBondContact O-CB 3.41Å; Y302-N306 PolarHBondContact O-N 3.07Å; Y302-N306 PolarHBondContact O-ND2 3.27Å; Y302-C339 HydrophobicContact CE1-CB 3.98Å; Y302-C339 HydrophobicContact CE2-CB 4.27Å; Y302-C339 WeakPolarHBondContact OH-CB 3.4Å; Y302-C339 PolarHBondContact OH-N 3.31Å |
| 303 | A | 86.1 | Confident | 77.6 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -52.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F278 S299 L300 R301 L305 N306 L307 | F278-A303 HydrophobicContact CB-CB 3.76Å; F278-A303 HydrophobicContact CD1-CB 3.69Å; F278-A303 HydrophobicContact CD2-CB 3.66Å; F278-A303 HydrophobicContact CE1-CB 4.18Å; F278-A303 HydrophobicContact CE2-CB 4.17Å; F278-A303 HydrophobicContact CG-CB 3.4Å; F278-A303 VanDerWaalsContact CG-CB 3.4Å; F278-A303 HydrophobicContact CZ-CB 4.41Å; S299-A303 WeakPolarHBondContact O-CB 3.46Å; S299-A303 PolarHBondContact O-N 3.13Å; L300-A303 WeakPolarHBondContact O-CB 3.32Å; L300-A303 PolarHBondContact O-N 3.45Å; R301-A303 VanDerWaalsContact C-N 3.35Å; A303-L305 VanDerWaalsContact C-N 3.31Å; A303-L305 PolarHBondContact O-N 3.47Å; A303-N306 PolarHBondContact O-N 2.97Å; A303-L307 WeakPolarHBondContact O-CB 3.17Å; A303-L307 PolarHBondContact O-N 3.25Å |
| 304 | A | 89.8 | Confident | 79.6 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L300 L307 A308 E326 A327 | L300-A304 PolarHBondContact O-N 2.89Å; A304-L307 PolarHBondContact O-N 3.43Å; A304-A308 PolarHBondContact O-N 3.35Å; A304-E326 HydrophobicContact CB-CG 4.43Å; A304-A327 HydrophobicContact CB-CB 3.76Å |
| 305 | L | 88 | Confident | 81.3 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.6 | 179.9 | 62.1 | 0 | 0 | 0 | 112.9 | R301 Y302 A303 L307 A308 A309 L324 A327 H342 W346 | R301-L305 WeakPolarHBondContact O-CB 3.44Å; R301-L305 PolarHBondContact O-N 3.38Å; R301-L305 VanDerWaalsContact O-N 3.11Å; Y302-L305 HydrophobicContact CD1-CD2 3.98Å; Y302-L305 HydrophobicContact CE1-CD2 4.25Å; Y302-L305 PolarHBondContact O-N 2.94Å; A303-L305 VanDerWaalsContact C-N 3.31Å; A303-L305 PolarHBondContact O-N 3.47Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-A308 WeakPolarHBondContact O-CB 3.47Å; L305-A308 PolarHBondContact O-N 3.36Å; L305-A309 PolarHBondContact O-N 3.08Å; L305-L324 HydrophobicContact CD1-CD1 3.74Å; L305-A327 HydrophobicContact CB-CB 4.12Å; L305-H342 HydrophobicContact CD2-CB 3.59Å; L305-W346 HydrophobicContact CD1-CG 4.27Å |
| 306 | N | 87 | Confident | 82.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.7 | -31.9 | 178.9 | -80.1 | -91.4 | 0 | 0 | 0 | 111.6 | P12 L274 F278 Y302 A303 A308 A309 L310 | P12-N306 WeakPolarHBondContact CG-OD1 3.28Å; L274-N306 HydrophobicContact CD1-CB 4.09Å; L274-N306 HydrophobicContact CD2-CB 4.08Å; F278-N306 HydrophobicContact CE2-CB 3.87Å; F278-N306 HydrophobicContact CZ-CB 4.11Å; Y302-N306 WeakPolarHBondContact O-CB 3.41Å; Y302-N306 PolarHBondContact O-N 3.07Å; Y302-N306 PolarHBondContact O-ND2 3.27Å; A303-N306 PolarHBondContact O-N 2.97Å; N306-A308 VanDerWaalsContact C-N 3.33Å; N306-A309 WeakPolarHBondContact O-CB 3.24Å; N306-A309 PolarHBondContact O-N 3.43Å; N306-L310 WeakPolarHBondContact O-CB 3.48Å; N306-L310 PolarHBondContact O-N 3.39Å |
| 307 | L | 89.9 | Confident | 84.4 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 171.7 | -178 | 62.1 | 0 | 0 | 0 | 111.3 | T271 A303 A304 L305 A309 L310 H311 A323 | T271-L307 HydrophobicContact CG2-CD1 4.15Å; A303-L307 WeakPolarHBondContact O-CB 3.17Å; A303-L307 PolarHBondContact O-N 3.25Å; A304-L307 PolarHBondContact O-N 3.43Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-L310 PolarHBondContact O-N 3.26Å; L307-H311 PolarHBondContact O-CD2 3.47Å; L307-H311 PolarHBondContact O-N 3.02Å; L307-A323 HydrophobicContact CB-CB 4.48Å; L307-A323 HydrophobicContact CD2-CB 4.34Å; L307-A323 HydrophobicContact CG-CB 4.25Å |
| 308 | A | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A304 L305 N306 H311 C312 A320 A323 L324 | A304-A308 PolarHBondContact O-N 3.35Å; L305-A308 WeakPolarHBondContact O-CB 3.47Å; L305-A308 PolarHBondContact O-N 3.36Å; N306-A308 VanDerWaalsContact C-N 3.33Å; A308-H311 PolarHBondContact O-N 2.83Å; A308-C312 PolarHBondContact O-N 3.08Å; A308-C312 PolarHBondContact O-SG 3.46Å; A308-A320 WeakPolarHBondContact CB-O 3.33Å; A308-A323 HydrophobicContact CB-CB 3.89Å; A308-L324 HydrophobicContact CB-CB 3.9Å; A308-L324 HydrophobicContact CB-CD1 4.3Å |
| 309 | A | 86.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y9 L305 N306 L307 H311 C312 R313 W346 | Y9-A309 HydrophobicContact CD1-CB 4.18Å; Y9-A309 VanDerWaalsContact CD1-O 3.32Å; Y9-A309 WeakPolarHBondContact CD1-O 3.44Å; Y9-A309 WeakPolarHBondContact CE1-O 3.42Å; L305-A309 PolarHBondContact O-N 3.08Å; N306-A309 WeakPolarHBondContact O-CB 3.24Å; N306-A309 PolarHBondContact O-N 3.43Å; L307-A309 VanDerWaalsContact C-N 3.34Å; A309-H311 PolarHBondContact O-N 2.73Å; A309-C312 WeakPolarHBondContact O-CB 3.45Å; A309-C312 PolarHBondContact O-N 3.34Å; A309-R313 PolarHBondContact O-N 3.26Å; A309-W346 HydrophobicContact CB-CD2 4.45Å; A309-W346 HydrophobicContact CB-CH2 3.99Å; A309-W346 HydrophobicContact CB-CZ2 3.49Å; A309-W346 VanDerWaalsContact CB-CZ2 3.49Å |
| 310 | L | 88.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.2 | -51.4 | 174 | -179.8 | 162.2 | 0 | 0 | 0 | 110.5 | Y258 L274 N306 L307 C312 R313 F314 | Y258-L310 HydrophobicContact CD2-CD1 4.19Å; Y258-L310 HydrophobicContact CE2-CB 4.33Å; Y258-L310 HydrophobicContact CE2-CD1 3.74Å; Y258-L310 HydrophobicContact CE2-CG 4.18Å; L274-L310 HydrophobicContact CB-CD1 4.45Å; L274-L310 HydrophobicContact CD2-CB 4.29Å; L274-L310 HydrophobicContact CD2-CD1 3.86Å; N306-L310 WeakPolarHBondContact O-CB 3.48Å; N306-L310 PolarHBondContact O-N 3.39Å; L307-L310 PolarHBondContact O-N 3.26Å; L310-C312 VanDerWaalsContact C-N 3.27Å; L310-C312 PolarHBondContact O-N 3.26Å; L310-R313 WeakPolarHBondContact O-CB 3.32Å; L310-R313 PolarHBondContact O-N 3.02Å; L310-F314 HydrophobicContact CD2-CD2 3.82Å; L310-F314 HydrophobicContact CD2-CE2 4.01Å; L310-F314 HydrophobicContact CG-CD2 4.28Å; L310-F314 HydrophobicContact CG-CE2 4.14Å; L310-F314 VanDerWaalsContact O-CD2 3.3Å; L310-F314 WeakPolarHBondContact O-CD2 3.35Å; L310-F314 PolarHBondContact O-N 3.17Å |
| 311 | H | 90.2 | Very high | 88.2 | Confident | 29 Ų | 29 | 36.7 Ų | 36.7 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -34.7 | 178.6 | -77.6 | -47.1 | 0 | 0 | 0 | 112.8 | L307 A308 A309 F314 G315 H316 Q319 A320 | L307-H311 PolarHBondContact O-CD2 3.47Å; L307-H311 PolarHBondContact O-N 3.02Å; A308-H311 PolarHBondContact O-N 2.83Å; A309-H311 PolarHBondContact O-N 2.73Å; H311-F314 PolarHBondContact O-N 3.36Å; H311-G315 PolarHBondContact O-N 3.25Å; H311-H316 HydrophobicContact CB-CB 4.02Å; H311-H316 AromaticContact ND1-ND1 3.68Å; H311-H316 PolarHBondContact O-N 3.45Å; H311-Q319 HydrophobicContact CB-CB 4.39Å; H311-A320 HydrophobicContact CB-CB 3.65Å |
| 312 | C | 86.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 172 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | Y9 A308 A309 L310 F314 G315 A320 W346 L350 | Y9-C312 HydrophobicContact CE1-CB 3.64Å; Y9-C312 PolarHBondContact OH-O 3.43Å; A308-C312 PolarHBondContact O-N 3.08Å; A308-C312 PolarHBondContact O-SG 3.46Å; A309-C312 WeakPolarHBondContact O-CB 3.45Å; A309-C312 PolarHBondContact O-N 3.34Å; L310-C312 VanDerWaalsContact C-N 3.27Å; L310-C312 PolarHBondContact O-N 3.26Å; C312-F314 VanDerWaalsContact C-N 3.3Å; C312-F314 PolarHBondContact O-N 3.02Å; C312-G315 PolarHBondContact O-N 2.87Å; C312-A320 VanDerWaalsContact SG-CB 3.55Å; C312-W346 HydrophobicContact CB-CE3 4.24Å; C312-W346 HydrophobicContact CB-CZ3 3.8Å; C312-L350 WeakPolarHBondContact SG-CD2 3.48Å |
| 313 | R | 84.5 | Confident | 89.1 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 178.1 | -83.4 | -55.3 | -161.9 | -171 | 4.1 | 111.7 | E6 Y9 A309 L310 G315 | E6-R313 PolarHBondContact O-NH2 3.1Å; E6-R313 IonicContact OE1-CZ 2.65Å; E6-R313 IonicContact OE1-NH1 3.28Å; E6-R313 PolarHBondContact OE1-NH1 2.97Å; E6-R313 IonicContact OE1-NH2 3.07Å; Y9-R313 VanDerWaalsContact CB-NH2 3.33Å; Y9-R313 HydrophobicContact CD1-CB 4.34Å; Y9-R313 HydrophobicContact CD1-CG 3.26Å; Y9-R313 HydrophobicContact CD2-CG 4.44Å; Y9-R313 HydrophobicContact CE1-CB 4.07Å; Y9-R313 VanDerWaalsContact CE1-CD 3.41Å; Y9-R313 HydrophobicContact CE1-CG 3.41Å; Y9-R313 VanDerWaalsContact CE1-CG 3.41Å; Y9-R313 VanDerWaalsContact CG-CD 3.42Å; Y9-R313 HydrophobicContact CG-CG 3.8Å; A309-R313 PolarHBondContact O-N 3.26Å; L310-R313 WeakPolarHBondContact O-CB 3.32Å; L310-R313 PolarHBondContact O-N 3.02Å; R313-G315 VanDerWaalsContact C-N 3.29Å; R313-G315 PolarHBondContact O-N 3.47Å |
| 314 | F | 88.3 | Confident | 89.4 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 4.5 | -178.1 | -67.3 | -71.5 | 0 | 0 | 0 | 113.8 | L262 Q265 V267 L310 H311 C312 H316 | L262-F314 HydrophobicContact CD2-CE2 3.52Å; L262-F314 HydrophobicContact CD2-CZ 3.76Å; Q265-F314 HydrophobicContact CB-CE1 4.24Å; V267-F314 HydrophobicContact CB-CD2 4.46Å; V267-F314 HydrophobicContact CB-CE1 4.5Å; V267-F314 HydrophobicContact CB-CE2 4.33Å; V267-F314 HydrophobicContact CB-CZ 4.34Å; V267-F314 HydrophobicContact CG1-CD2 4.24Å; V267-F314 HydrophobicContact CG1-CE2 4.41Å; V267-F314 HydrophobicContact CG2-CB 4.3Å; V267-F314 HydrophobicContact CG2-CD1 3.45Å; V267-F314 VanDerWaalsContact CG2-CD1 3.45Å; V267-F314 HydrophobicContact CG2-CD2 3.95Å; V267-F314 HydrophobicContact CG2-CE1 3.55Å; V267-F314 HydrophobicContact CG2-CE2 4.05Å; V267-F314 HydrophobicContact CG2-CG 3.65Å; V267-F314 HydrophobicContact CG2-CZ 3.85Å; L310-F314 HydrophobicContact CD2-CD2 3.82Å; L310-F314 HydrophobicContact CD2-CE2 4.01Å; L310-F314 HydrophobicContact CG-CD2 4.28Å; L310-F314 HydrophobicContact CG-CE2 4.14Å; L310-F314 VanDerWaalsContact O-CD2 3.3Å; L310-F314 WeakPolarHBondContact O-CD2 3.35Å; L310-F314 PolarHBondContact O-N 3.17Å; H311-F314 PolarHBondContact O-N 3.36Å; C312-F314 VanDerWaalsContact C-N 3.3Å; C312-F314 PolarHBondContact O-N 3.02Å; F314-H316 PolarHBondContact O-CD2 2.81Å; F314-H316 PolarHBondContact O-N 3.31Å |
| 315 | G | 85.4 | Confident | 89.6 | Confident | 31 Ų | 31 | 45 Ų | 45 | 32% | 0.32 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 14.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H311 C312 R313 Y317 | H311-G315 PolarHBondContact O-N 3.25Å; C312-G315 PolarHBondContact O-N 2.87Å; R313-G315 VanDerWaalsContact C-N 3.29Å; R313-G315 PolarHBondContact O-N 3.47Å; G315-Y317 WeakPolarHBondContact O-CD2 3.46Å; G315-Y317 WeakPolarHBondContact O-CE2 3.29Å; G315-Y317 PolarHBondContact O-N 3.18Å |
| 316 | H | 90.7 | Very high | 89.8 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | trans | -80.6 | 63.2 | 175.9 | -62.7 | 173.3 | 0 | 0 | 0 | 110.6 | H311 F314 Q318 Q319 A320 | H311-H316 HydrophobicContact CB-CB 4.02Å; H311-H316 AromaticContact ND1-ND1 3.68Å; H311-H316 PolarHBondContact O-N 3.45Å; F314-H316 PolarHBondContact O-CD2 2.81Å; F314-H316 PolarHBondContact O-N 3.31Å; H316-Q318 VanDerWaalsContact C-N 3.3Å; H316-Q318 PolarHBondContact O-N 2.83Å; H316-Q319 HydrophobicContact CB-CB 4.32Å; H316-Q319 PolarHBondContact O-N 3.41Å; H316-A320 WeakPolarHBondContact O-CB 3.42Å; H316-A320 PolarHBondContact O-N 3.14Å | ||
| 317 | Y | 88.2 | Confident | 90 | Very high | 117 Ų | 117 | 48.6 Ų | 48.6 | 46% | 0.459 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -33.5 | -168.8 | -60.3 | -70.3 | 0 | 0 | 0 | 114.2 | G315 E321 L350 | G315-Y317 WeakPolarHBondContact O-CD2 3.46Å; G315-Y317 WeakPolarHBondContact O-CE2 3.29Å; G315-Y317 PolarHBondContact O-N 3.18Å; Y317-E321 WeakPolarHBondContact O-CB 3.3Å; Y317-E321 PolarHBondContact O-N 3.21Å; Y317-L350 HydrophobicContact CD1-CD2 3.82Å |
| 318 | Q | 91 | Very high | 90 | Very high | 151 Ų | 151 | 47.9 Ų | 47.9 | 71% | 0.706 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67.8 | -46.6 | 178.8 | -69 | 177.8 | -11.3 | 0 | 0 | 111.1 | H316 A320 E321 L322 | H316-Q318 VanDerWaalsContact C-N 3.3Å; H316-Q318 PolarHBondContact O-N 2.83Å; Q318-A320 VanDerWaalsContact C-N 3.33Å; Q318-E321 PolarHBondContact O-N 3.25Å; Q318-L322 PolarHBondContact O-N 3.19Å |
| 319 | Q | 92.6 | Very high | 90.2 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.2 | -38.8 | 177.2 | -67.5 | 79.7 | -4.4 | 0 | 0 | 111.1 | H311 H316 E321 L322 A323 | H311-Q319 HydrophobicContact CB-CB 4.39Å; H316-Q319 HydrophobicContact CB-CB 4.32Å; H316-Q319 PolarHBondContact O-N 3.41Å; Q319-E321 VanDerWaalsContact C-N 3.35Å; Q319-E321 PolarHBondContact O-N 3.5Å; Q319-L322 PolarHBondContact O-N 3.3Å; Q319-A323 WeakPolarHBondContact O-CB 3.41Å; Q319-A323 PolarHBondContact O-N 2.89Å |
| 320 | A | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A308 H311 C312 H316 Q318 A323 L324 L350 | A308-A320 WeakPolarHBondContact CB-O 3.33Å; H311-A320 HydrophobicContact CB-CB 3.65Å; C312-A320 VanDerWaalsContact SG-CB 3.55Å; H316-A320 WeakPolarHBondContact O-CB 3.42Å; H316-A320 PolarHBondContact O-N 3.14Å; Q318-A320 VanDerWaalsContact C-N 3.33Å; A320-A323 PolarHBondContact O-N 3.26Å; A320-L324 WeakPolarHBondContact O-CB 3.3Å; A320-L324 PolarHBondContact O-N 3.3Å; A320-L350 HydrophobicContact CB-CD1 4.15Å; A320-L350 HydrophobicContact CB-CD2 3.77Å |
| 321 | E | 91.3 | Very high | 90.3 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 177.8 | -172.9 | 171.6 | -175.9 | 0 | 0 | 111.9 | Y317 Q318 Q319 L324 Q325 L350 | Y317-E321 WeakPolarHBondContact O-CB 3.3Å; Y317-E321 PolarHBondContact O-N 3.21Å; Q318-E321 PolarHBondContact O-N 3.25Å; Q319-E321 VanDerWaalsContact C-N 3.35Å; Q319-E321 PolarHBondContact O-N 3.5Å; E321-L324 PolarHBondContact O-N 3.49Å; E321-Q325 VanDerWaalsContact O-CG 3.29Å; E321-Q325 WeakPolarHBondContact O-CG 3.48Å; E321-Q325 PolarHBondContact O-N 2.95Å; E321-L350 HydrophobicContact CB-CD1 4.22Å |
| 322 | L | 94 | Very high | 90.4 | Very high | 116 Ų | 116 | 57.8 Ų | 57.8 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.2 | -47.1 | 176.5 | -66.4 | 174.6 | 0 | 0 | 0 | 112.2 | Q318 Q319 L324 Q325 E326 | Q318-L322 PolarHBondContact O-N 3.19Å; Q319-L322 PolarHBondContact O-N 3.3Å; L322-L324 VanDerWaalsContact C-N 3.26Å; L322-L324 PolarHBondContact O-N 3.25Å; L322-Q325 PolarHBondContact O-N 3.3Å; L322-E326 PolarHBondContact O-N 2.94Å; L322-E326 VanDerWaalsContact O-N 3.14Å |
| 323 | A | 92.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L307 A308 Q319 A320 E326 A327 | L307-A323 HydrophobicContact CB-CB 4.48Å; L307-A323 HydrophobicContact CD2-CB 4.34Å; L307-A323 HydrophobicContact CG-CB 4.25Å; A308-A323 HydrophobicContact CB-CB 3.89Å; Q319-A323 WeakPolarHBondContact O-CB 3.41Å; Q319-A323 PolarHBondContact O-N 2.89Å; A320-A323 PolarHBondContact O-N 3.26Å; A323-E326 PolarHBondContact O-N 3.47Å; A323-A327 PolarHBondContact O-N 2.95Å |
| 324 | L | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72 | -38.9 | 178.3 | -170.1 | 60.9 | 0 | 0 | 0 | 112.7 | L305 A308 A320 E321 L322 E326 A327 I328 C343 W346 L347 L350 | L305-L324 HydrophobicContact CD1-CD1 3.74Å; A308-L324 HydrophobicContact CB-CB 3.9Å; A308-L324 HydrophobicContact CB-CD1 4.3Å; A320-L324 WeakPolarHBondContact O-CB 3.3Å; A320-L324 PolarHBondContact O-N 3.3Å; E321-L324 PolarHBondContact O-N 3.49Å; L322-L324 VanDerWaalsContact C-N 3.26Å; L322-L324 PolarHBondContact O-N 3.25Å; L324-E326 VanDerWaalsContact C-N 3.26Å; L324-E326 PolarHBondContact O-N 2.83Å; L324-A327 PolarHBondContact O-N 3.22Å; L324-I328 HydrophobicContact CG-CD1 4.26Å; L324-I328 WeakPolarHBondContact O-CD1 3.3Å; L324-I328 VanDerWaalsContact O-CG1 3.27Å; L324-I328 WeakPolarHBondContact O-CG1 3.29Å; L324-I328 PolarHBondContact O-N 3.5Å; L324-C343 HydrophobicContact CD1-CB 3.92Å; L324-W346 HydrophobicContact CD1-CB 3.86Å; L324-W346 HydrophobicContact CD2-CB 3.77Å; L324-L347 HydrophobicContact CD2-CB 4.2Å; L324-L347 HydrophobicContact CD2-CD2 3.69Å; L324-L347 HydrophobicContact CD2-CG 3.61Å; L324-L347 HydrophobicContact CG-CD2 4.37Å; L324-L347 HydrophobicContact CG-CG 4.29Å; L324-L350 HydrophobicContact CB-CD1 4.42Å; L324-L350 HydrophobicContact CD2-CD1 3.64Å |
| 325 | Q | 93.5 | Very high | 90.2 | Very high | 100 Ų | 100 | 66.8 Ų | 66.8 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 173.2 | -75.6 | 173 | 6.3 | 0 | 0 | 111.2 | E321 L322 I328 R329 | E321-Q325 VanDerWaalsContact O-CG 3.29Å; E321-Q325 WeakPolarHBondContact O-CG 3.48Å; E321-Q325 PolarHBondContact O-N 2.95Å; L322-Q325 PolarHBondContact O-N 3.3Å; Q325-I328 PolarHBondContact O-N 3.46Å; Q325-R329 WeakPolarHBondContact O-CB 3.49Å; Q325-R329 PolarHBondContact O-N 2.85Å |
| 326 | E | 93 | Very high | 90 | Very high | 76 Ų | 76 | 66.5 Ų | 66.5 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 175.4 | -177.8 | 61.8 | -177.3 | 0 | 0 | 111.9 | A304 L322 A323 L324 I328 R329 I330 | A304-E326 HydrophobicContact CB-CG 4.43Å; L322-E326 PolarHBondContact O-N 2.94Å; L322-E326 VanDerWaalsContact O-N 3.14Å; A323-E326 PolarHBondContact O-N 3.47Å; L324-E326 VanDerWaalsContact C-N 3.26Å; L324-E326 PolarHBondContact O-N 2.83Å; E326-I328 VanDerWaalsContact C-N 3.28Å; E326-I328 PolarHBondContact O-N 3.19Å; E326-R329 PolarHBondContact O-N 3.24Å; E326-R329 IonicContact OE1-CZ 3.77Å; E326-R329 IonicContact OE1-NE 3.67Å; E326-R329 IonicContact OE1-NH2 2.62Å; E326-R329 PolarHBondContact OE1-NH2 3.39Å; E326-R329 IonicContact OE2-CZ 2.73Å; E326-R329 IonicContact OE2-NE 3.93Å; E326-R329 PolarHBondContact OE2-NE 3.44Å; E326-R329 IonicContact OE2-NH2 2.86Å; E326-R329 PolarHBondContact OE2-NH2 2.9Å; E326-I330 HydrophobicContact CG-CD1 3.96Å; E326-I330 WeakPolarHBondContact O-CG1 3.31Å; E326-I330 PolarHBondContact O-N 3.36Å |
| 327 | A | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.5 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A304 L305 A323 L324 A331 | A304-A327 HydrophobicContact CB-CB 3.76Å; L305-A327 HydrophobicContact CB-CB 4.12Å; A323-A327 PolarHBondContact O-N 2.95Å; L324-A327 PolarHBondContact O-N 3.22Å; A327-A331 WeakPolarHBondContact O-CB 3.33Å; A327-A331 PolarHBondContact O-N 3.24Å |
| 328 | I | 91.1 | Very high | 89.4 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.3 | -68.8 | 162.8 | 0 | 0 | 0 | 110.9 | L324 Q325 E326 A331 Q332 L340 C343 L347 | L324-I328 HydrophobicContact CG-CD1 4.26Å; L324-I328 WeakPolarHBondContact O-CD1 3.3Å; L324-I328 VanDerWaalsContact O-CG1 3.27Å; L324-I328 WeakPolarHBondContact O-CG1 3.29Å; L324-I328 PolarHBondContact O-N 3.5Å; Q325-I328 PolarHBondContact O-N 3.46Å; E326-I328 VanDerWaalsContact C-N 3.28Å; E326-I328 PolarHBondContact O-N 3.19Å; I328-A331 PolarHBondContact O-N 3.02Å; I328-Q332 HydrophobicContact CG2-CG 4.28Å; I328-Q332 WeakPolarHBondContact O-CB 3.27Å; I328-Q332 WeakPolarHBondContact O-CG 3.18Å; I328-Q332 PolarHBondContact O-N 2.97Å; I328-L340 HydrophobicContact CG2-CD2 4.09Å; I328-C343 HydrophobicContact CD1-CB 4.23Å; I328-C343 HydrophobicContact CG1-CB 3.54Å; I328-L347 HydrophobicContact CD1-CD1 3.49Å; I328-L347 VanDerWaalsContact CD1-CD1 3.49Å; I328-L347 HydrophobicContact CD1-CD2 4.24Å; I328-L347 HydrophobicContact CD1-CG 3.95Å |
| 329 | R | 93.3 | Very high | 89 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.9 | -53.3 | -179.8 | -173.5 | -170.2 | 67.8 | 75 | 0.8 | 110.8 | Q325 E326 A331 Q332 E333 | Q325-R329 WeakPolarHBondContact O-CB 3.49Å; Q325-R329 PolarHBondContact O-N 2.85Å; E326-R329 PolarHBondContact O-N 3.24Å; E326-R329 IonicContact OE1-CZ 3.77Å; E326-R329 IonicContact OE1-NE 3.67Å; E326-R329 IonicContact OE1-NH2 2.62Å; E326-R329 PolarHBondContact OE1-NH2 3.39Å; E326-R329 IonicContact OE2-CZ 2.73Å; E326-R329 IonicContact OE2-NE 3.93Å; E326-R329 PolarHBondContact OE2-NE 3.44Å; E326-R329 IonicContact OE2-NH2 2.86Å; E326-R329 PolarHBondContact OE2-NH2 2.9Å; R329-A331 VanDerWaalsContact C-N 3.3Å; R329-A331 PolarHBondContact O-N 3.35Å; R329-Q332 PolarHBondContact O-N 3.28Å; R329-E333 IonicContact CZ-OE1 2.6Å; R329-E333 IonicContact CZ-OE2 3.45Å; R329-E333 IonicContact NH1-OE1 2.99Å; R329-E333 PolarHBondContact NH1-OE1 2.7Å; R329-E333 IonicContact NH1-OE2 2.6Å; R329-E333 PolarHBondContact NH1-OE2 3.23Å; R329-E333 WeakPolarHBondContact O-CG 3.2Å; R329-E333 PolarHBondContact O-N 3.28Å |
| 330 | I | 89.4 | Confident | 88.7 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | -179.2 | -52.8 | 165.4 | 0 | 0 | 0 | 110.5 | R301 E326 E333 S334 | R301-I330 HydrophobicContact CG-CB 3.72Å; R301-I330 HydrophobicContact CG-CG2 3.27Å; E326-I330 HydrophobicContact CG-CD1 3.96Å; E326-I330 WeakPolarHBondContact O-CG1 3.31Å; E326-I330 PolarHBondContact O-N 3.36Å; I330-E333 PolarHBondContact O-N 3.13Å; I330-S334 PolarHBondContact O-N 3.16Å; I330-S334 PolarHBondContact O-OG 3.17Å; I330-S334 VanDerWaalsContact O-OG 3.06Å |
| 331 | A | 88.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.6 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R301 A327 I328 R329 N335 D336 C339 L340 | R301-A331 HydrophobicContact CG-CB 4.48Å; A327-A331 WeakPolarHBondContact O-CB 3.33Å; A327-A331 PolarHBondContact O-N 3.24Å; I328-A331 PolarHBondContact O-N 3.02Å; R329-A331 VanDerWaalsContact C-N 3.3Å; R329-A331 PolarHBondContact O-N 3.35Å; A331-N335 PolarHBondContact O-N 3.33Å; A331-N335 VanDerWaalsContact O-N 3.13Å; A331-D336 HydrophobicContact CB-CB 4.42Å; A331-D336 PolarHBondContact O-N 2.9Å; A331-C339 HydrophobicContact CB-CB 4Å; A331-L340 HydrophobicContact CB-CD2 3.7Å; A331-L340 HydrophobicContact CB-CG 3.75Å |
| 332 | Q | 90.6 | Very high | 88 | Confident | 118 Ų | 118 | 50.6 Ų | 50.6 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.9 | -46.7 | 171.9 | -73.9 | 174.2 | -16.8 | 0 | 0 | 111.5 | I328 R329 S334 N335 L340 | I328-Q332 HydrophobicContact CG2-CG 4.28Å; I328-Q332 WeakPolarHBondContact O-CB 3.27Å; I328-Q332 WeakPolarHBondContact O-CG 3.18Å; I328-Q332 PolarHBondContact O-N 2.97Å; R329-Q332 PolarHBondContact O-N 3.28Å; Q332-S334 PolarHBondContact O-N 3.35Å; Q332-S334 VanDerWaalsContact O-N 3.16Å; Q332-N335 PolarHBondContact O-N 3.31Å; Q332-L340 HydrophobicContact CG-CD1 4.25Å; Q332-L340 HydrophobicContact CG-CD2 3.86Å |
| 333 | E | 89.4 | Confident | 87.6 | Confident | 126 Ų | 126 | 45.1 Ų | 45.1 | 59% | 0.589 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -57.8 | -31.3 | 178.8 | -75.1 | 171.6 | -174.2 | 0 | 0 | 112.5 | R329 I330 | R329-E333 IonicContact CZ-OE1 2.6Å; R329-E333 IonicContact CZ-OE2 3.45Å; R329-E333 IonicContact NH1-OE1 2.99Å; R329-E333 PolarHBondContact NH1-OE1 2.7Å; R329-E333 IonicContact NH1-OE2 2.6Å; R329-E333 PolarHBondContact NH1-OE2 3.23Å; R329-E333 WeakPolarHBondContact O-CG 3.2Å; R329-E333 PolarHBondContact O-N 3.28Å; I330-E333 PolarHBondContact O-N 3.13Å |
| 334 | S | 83.5 | Confident | 87.1 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 5.7 | -179.8 | -50.9 | 0 | 0 | 0 | 0 | 114.4 | R301 I330 Q332 D336 | R301-S334 PolarHBondContact NH1-OG 3.15Å; I330-S334 PolarHBondContact O-N 3.16Å; I330-S334 PolarHBondContact O-OG 3.17Å; I330-S334 VanDerWaalsContact O-OG 3.06Å; Q332-S334 PolarHBondContact O-N 3.35Å; Q332-S334 VanDerWaalsContact O-N 3.16Å; S334-D336 PolarHBondContact O-N 3.33Å; S334-D336 VanDerWaalsContact O-N 3.16Å |
| 335 | N | 82.6 | Confident | 86.6 | Confident | 122 Ų | 122 | 47.3 Ų | 47.3 | 65% | 0.652 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.5 | -174 | -65.1 | -52.9 | 0 | 0 | 0 | 114.6 | A331 Q332 H337 | A331-N335 PolarHBondContact O-N 3.33Å; A331-N335 VanDerWaalsContact O-N 3.13Å; Q332-N335 PolarHBondContact O-N 3.31Å; N335-H337 PolarHBondContact O-N 3.28Å; N335-H337 VanDerWaalsContact O-N 3.09Å |
| 336 | D | 82.7 | Confident | 86 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | trans | -84 | 86.9 | -178.8 | -171.5 | -22.5 | 0 | 0 | 0 | 110.7 | R301 A331 S334 V338 C339 L340 | R301-D336 IonicContact CZ-OD2 3.04Å; R301-D336 IonicContact NE-OD2 2.94Å; R301-D336 PolarHBondContact NE-OD2 3.02Å; R301-D336 IonicContact NH2-OD2 3.48Å; R301-D336 PolarHBondContact NH2-OD2 3.36Å; A331-D336 HydrophobicContact CB-CB 4.42Å; A331-D336 PolarHBondContact O-N 2.9Å; S334-D336 PolarHBondContact O-N 3.33Å; S334-D336 VanDerWaalsContact O-N 3.16Å; D336-V338 VanDerWaalsContact C-N 3.26Å; D336-V338 PolarHBondContact O-N 3.46Å; D336-V338 PolarHBondContact OD1-N 3.12Å; D336-C339 HydrophobicContact CB-CB 4.11Å; D336-C339 VanDerWaalsContact CG-CB 3.48Å; D336-C339 PolarHBondContact O-N 2.68Å; D336-C339 WeakPolarHBondContact OD1-CB 3.48Å; D336-C339 PolarHBondContact OD1-N 3.11Å; D336-L340 VanDerWaalsContact O-CG 3.28Å; D336-L340 WeakPolarHBondContact O-CG 3.1Å; D336-L340 PolarHBondContact O-N 3.43Å | ||
| 337 | H | 83.3 | Confident | 85.5 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 43% | 0.426 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.7 | -26.7 | -177.3 | -64.3 | -46 | 0 | 0 | 0 | 114.1 | N335 Q341 F371 | N335-H337 PolarHBondContact O-N 3.28Å; N335-H337 VanDerWaalsContact O-N 3.09Å; H337-Q341 WeakPolarHBondContact O-CG 3.41Å; H337-Q341 PolarHBondContact O-N 2.96Å; H337-Q341 PolarHBondContact O-NE2 3.35Å; H337-F371 HydrophobicContact CB-CD1 4.3Å; H337-F371 HydrophobicContact CB-CE1 3.7Å; H337-F371 HydrophobicContact CB-CE2 4.11Å; H337-F371 HydrophobicContact CB-CZ 3.6Å; H337-F371 AromaticContact CG-CZ 3.88Å |
| 338 | V | 82.2 | Confident | 84.7 | Confident | 42 Ų | 42 | 41.7 Ų | 41.7 | 26% | 0.255 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.8 | -51.5 | 178 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | V18 D336 L340 Q341 H342 L373 | V18-V338 HydrophobicContact CG2-CG1 3.65Å; D336-V338 VanDerWaalsContact C-N 3.26Å; D336-V338 PolarHBondContact O-N 3.46Å; D336-V338 PolarHBondContact OD1-N 3.12Å; V338-L340 VanDerWaalsContact C-N 3.27Å; V338-L340 PolarHBondContact O-N 3.42Å; V338-Q341 WeakPolarHBondContact O-CB 3Å; V338-Q341 PolarHBondContact O-N 2.8Å; V338-H342 PolarHBondContact O-CD2 3.34Å; V338-H342 PolarHBondContact O-N 2.83Å; V338-H342 VanDerWaalsContact O-N 3.15Å; V338-L373 HydrophobicContact CG1-CD1 4.11Å; V338-L373 HydrophobicContact CG1-CD2 4.11Å |
| 339 | C | 83.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | Y302 A331 D336 Q341 H342 C343 | Y302-C339 HydrophobicContact CE1-CB 3.98Å; Y302-C339 HydrophobicContact CE2-CB 4.27Å; Y302-C339 WeakPolarHBondContact OH-CB 3.4Å; Y302-C339 PolarHBondContact OH-N 3.31Å; A331-C339 HydrophobicContact CB-CB 4Å; D336-C339 HydrophobicContact CB-CB 4.11Å; D336-C339 VanDerWaalsContact CG-CB 3.48Å; D336-C339 PolarHBondContact O-N 2.68Å; D336-C339 WeakPolarHBondContact OD1-CB 3.48Å; D336-C339 PolarHBondContact OD1-N 3.11Å; C339-Q341 VanDerWaalsContact C-N 3.28Å; C339-Q341 PolarHBondContact O-N 3.29Å; C339-H342 WeakPolarHBondContact O-CB 3.49Å; C339-H342 PolarHBondContact O-N 3.21Å; C339-H342 VanDerWaalsContact O-N 3.16Å; C339-C343 PolarHBondContact O-N 3.24Å; C339-C343 PolarHBondContact O-SG 3.18Å |
| 340 | L | 85.3 | Confident | 83.1 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -37 | 175.5 | -72.7 | 170.8 | 0 | 0 | 0 | 112.6 | I328 A331 Q332 D336 V338 C343 L344 | I328-L340 HydrophobicContact CG2-CD2 4.09Å; A331-L340 HydrophobicContact CB-CD2 3.7Å; A331-L340 HydrophobicContact CB-CG 3.75Å; Q332-L340 HydrophobicContact CG-CD1 4.25Å; Q332-L340 HydrophobicContact CG-CD2 3.86Å; D336-L340 VanDerWaalsContact O-CG 3.28Å; D336-L340 WeakPolarHBondContact O-CG 3.1Å; D336-L340 PolarHBondContact O-N 3.43Å; V338-L340 VanDerWaalsContact C-N 3.27Å; V338-L340 PolarHBondContact O-N 3.42Å; L340-C343 PolarHBondContact O-N 3.06Å; L340-L344 WeakPolarHBondContact O-CB 3.29Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 2.89Å |
| 341 | Q | 84 | Confident | 82.1 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.3 | -70.6 | -28.8 | -67.8 | 0 | 0 | 112.2 | H337 V338 C339 C343 L344 S345 K367 F371 L373 L376 | H337-Q341 WeakPolarHBondContact O-CG 3.41Å; H337-Q341 PolarHBondContact O-N 2.96Å; H337-Q341 PolarHBondContact O-NE2 3.35Å; V338-Q341 WeakPolarHBondContact O-CB 3Å; V338-Q341 PolarHBondContact O-N 2.8Å; C339-Q341 VanDerWaalsContact C-N 3.28Å; C339-Q341 PolarHBondContact O-N 3.29Å; Q341-C343 VanDerWaalsContact C-N 3.31Å; Q341-C343 PolarHBondContact O-N 2.97Å; Q341-L344 PolarHBondContact O-N 3.12Å; Q341-S345 PolarHBondContact O-N 2.67Å; Q341-S345 PolarHBondContact O-OG 3.26Å; Q341-K367 HydrophobicContact CG-CB 4.38Å; Q341-F371 HydrophobicContact CG-CD2 3.6Å; Q341-F371 HydrophobicContact CG-CE2 4.08Å; Q341-L373 HydrophobicContact CB-CD1 4.02Å; Q341-L373 HydrophobicContact CG-CD1 4.14Å; Q341-L376 HydrophobicContact CB-CD1 4.35Å |
| 342 | H | 83.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -43.3 | 173.2 | -77.2 | -92.8 | 0 | 0 | 0 | 111.8 | N16 L305 V338 C339 L344 S345 W346 | N16-H342 PolarHBondContact ND2-CE1 3.03Å; N16-H342 PolarHBondContact ND2-NE2 3.44Å; L305-H342 HydrophobicContact CD2-CB 3.59Å; V338-H342 PolarHBondContact O-CD2 3.34Å; V338-H342 PolarHBondContact O-N 2.83Å; V338-H342 VanDerWaalsContact O-N 3.15Å; C339-H342 WeakPolarHBondContact O-CB 3.49Å; C339-H342 PolarHBondContact O-N 3.21Å; C339-H342 VanDerWaalsContact O-N 3.16Å; H342-L344 VanDerWaalsContact C-N 3.32Å; H342-L344 PolarHBondContact O-N 3.19Å; H342-S345 WeakPolarHBondContact O-CB 3.46Å; H342-S345 PolarHBondContact O-N 2.86Å; H342-W346 PolarHBondContact O-N 2.92Å |
| 343 | C | 86.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.9 | -65 | 0 | 0 | 0 | 0 | 111.7 | L324 I328 C339 L340 Q341 S345 W346 L347 | L324-C343 HydrophobicContact CD1-CB 3.92Å; I328-C343 HydrophobicContact CD1-CB 4.23Å; I328-C343 HydrophobicContact CG1-CB 3.54Å; C339-C343 PolarHBondContact O-N 3.24Å; C339-C343 PolarHBondContact O-SG 3.18Å; L340-C343 PolarHBondContact O-N 3.06Å; Q341-C343 VanDerWaalsContact C-N 3.31Å; Q341-C343 PolarHBondContact O-N 2.97Å; C343-S345 VanDerWaalsContact C-N 3.32Å; C343-S345 PolarHBondContact O-N 2.62Å; C343-W346 PolarHBondContact O-N 3.43Å; C343-L347 WeakPolarHBondContact O-CG 3.26Å; C343-L347 PolarHBondContact O-N 3.36Å |
| 344 | L | 82.4 | Confident | 77.8 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 175.8 | -72 | 168.2 | 0 | 0 | 0 | 112 | L340 Q341 H342 L347 Y348 K367 | L340-L344 WeakPolarHBondContact O-CB 3.29Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 2.89Å; Q341-L344 PolarHBondContact O-N 3.12Å; H342-L344 VanDerWaalsContact C-N 3.32Å; H342-L344 PolarHBondContact O-N 3.19Å; L344-L347 HydrophobicContact CD2-CD1 4.09Å; L344-L347 PolarHBondContact O-N 3.41Å; L344-Y348 PolarHBondContact O-N 3.35Å; L344-K367 HydrophobicContact CD1-CD 4.4Å |
| 345 | S | 80.4 | Confident | 76.4 | Confident | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 173.4 | -55.9 | 0 | 0 | 0 | 0 | 112 | Q341 H342 C343 Y348 V349 S364 | Q341-S345 PolarHBondContact O-N 2.67Å; Q341-S345 PolarHBondContact O-OG 3.26Å; H342-S345 WeakPolarHBondContact O-CB 3.46Å; H342-S345 PolarHBondContact O-N 2.86Å; C343-S345 VanDerWaalsContact C-N 3.32Å; C343-S345 PolarHBondContact O-N 2.62Å; S345-Y348 WeakPolarHBondContact O-CB 3.27Å; S345-Y348 PolarHBondContact O-N 2.99Å; S345-V349 WeakPolarHBondContact O-CG2 3.45Å; S345-V349 PolarHBondContact O-N 3.45Å; S345-S364 PolarHBondContact OG-OG 2.64Å |
| 346 | W | 80.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.7 | -35.9 | 175 | -80.9 | 107.4 | 0 | 0 | 0 | 113.7 | L8 Y9 L305 A309 C312 L324 H342 C343 Y348 V349 L350 | L8-W346 HydrophobicContact CB-CH2 3.83Å; L8-W346 HydrophobicContact CB-CZ2 3.53Å; Y9-W346 AromaticContact CD1-CH2 3.21Å; Y9-W346 HydrophobicContact CD1-CH2 3.21Å; Y9-W346 AromaticContact CD1-CZ2 3.93Å; Y9-W346 HydrophobicContact CD1-CZ2 3.93Å; Y9-W346 HydrophobicContact CD1-CZ3 4.01Å; Y9-W346 AromaticContact CD2-CH2 3.89Å; Y9-W346 HydrophobicContact CD2-CH2 3.89Å; Y9-W346 AromaticContact CE1-CH2 3.22Å; Y9-W346 HydrophobicContact CE1-CH2 3.22Å; Y9-W346 HydrophobicContact CE1-CZ2 4.31Å; Y9-W346 AromaticContact CE1-CZ3 3.53Å; Y9-W346 HydrophobicContact CE1-CZ3 3.53Å; Y9-W346 AromaticContact CE2-CH2 3.91Å; Y9-W346 HydrophobicContact CE2-CH2 3.91Å; Y9-W346 HydrophobicContact CE2-CZ3 4.33Å; Y9-W346 AromaticContact CG-CH2 3.6Å; Y9-W346 HydrophobicContact CG-CH2 3.6Å; Y9-W346 HydrophobicContact CG-CZ2 4.23Å; Y9-W346 AromaticContact CZ-CH2 3.61Å; Y9-W346 AromaticContact CZ-CZ3 3.72Å; L305-W346 HydrophobicContact CD1-CG 4.27Å; A309-W346 HydrophobicContact CB-CD2 4.45Å; A309-W346 HydrophobicContact CB-CH2 3.99Å; A309-W346 HydrophobicContact CB-CZ2 3.49Å; A309-W346 VanDerWaalsContact CB-CZ2 3.49Å; C312-W346 HydrophobicContact CB-CE3 4.24Å; C312-W346 HydrophobicContact CB-CZ3 3.8Å; L324-W346 HydrophobicContact CD1-CB 3.86Å; L324-W346 HydrophobicContact CD2-CB 3.77Å; H342-W346 PolarHBondContact O-N 2.92Å; C343-W346 PolarHBondContact O-N 3.43Å; W346-Y348 PolarHBondContact O-N 2.95Å; W346-V349 HydrophobicContact CE3-CB 4.08Å; W346-V349 HydrophobicContact CE3-CG1 4.42Å; W346-V349 HydrophobicContact CE3-CG2 3.95Å; W346-V349 HydrophobicContact CZ3-CB 4.34Å; W346-V349 HydrophobicContact CZ3-CG1 4.23Å; W346-V349 HydrophobicContact CZ3-CG2 4.19Å; W346-V349 WeakPolarHBondContact O-CB 3.29Å; W346-V349 PolarHBondContact O-N 3.02Å; W346-L350 PolarHBondContact O-N 3.47Å |
| 347 | L | 82.1 | Confident | 74.6 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 28% | 0.277 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59 | -36 | 175 | -85.7 | 173.6 | 0 | 0 | 0 | 110.8 | L324 I328 C343 L344 G351 | L324-L347 HydrophobicContact CD2-CB 4.2Å; L324-L347 HydrophobicContact CD2-CD2 3.69Å; L324-L347 HydrophobicContact CD2-CG 3.61Å; L324-L347 HydrophobicContact CG-CD2 4.37Å; L324-L347 HydrophobicContact CG-CG 4.29Å; I328-L347 HydrophobicContact CD1-CD1 3.49Å; I328-L347 VanDerWaalsContact CD1-CD1 3.49Å; I328-L347 HydrophobicContact CD1-CD2 4.24Å; I328-L347 HydrophobicContact CD1-CG 3.95Å; C343-L347 WeakPolarHBondContact O-CG 3.26Å; C343-L347 PolarHBondContact O-N 3.36Å; L344-L347 HydrophobicContact CD2-CD1 4.09Å; L344-L347 PolarHBondContact O-N 3.41Å; L347-G351 WeakPolarHBondContact O-CA 3.49Å; L347-G351 PolarHBondContact O-N 3.02Å |
| 348 | Y | 75 | Confident | 74.1 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 172.9 | 164 | -93.7 | 0 | 0 | 0 | 112.4 | H5 L344 S345 W346 L350 G351 Q352 S357 L361 Q387 | H5-Y348 AromaticContact CE1-CE1 3.68Å; L344-Y348 PolarHBondContact O-N 3.35Å; S345-Y348 WeakPolarHBondContact O-CB 3.27Å; S345-Y348 PolarHBondContact O-N 2.99Å; W346-Y348 PolarHBondContact O-N 2.95Å; Y348-L350 VanDerWaalsContact C-N 3.32Å; Y348-L350 PolarHBondContact O-N 2.99Å; Y348-G351 CarbonylContact O-C 3.51Å; Y348-G351 WeakPolarHBondContact O-CA 3.48Å; Y348-G351 PolarHBondContact O-N 3.42Å; Y348-Q352 VanDerWaalsContact CZ-OE1 3.24Å; Y348-Q352 PolarHBondContact O-N 3.21Å; Y348-Q352 PolarHBondContact OH-OE1 2.86Å; Y348-Q352 VanDerWaalsContact OH-OE1 3.04Å; Y348-S357 WeakPolarHBondContact CD2-OG 3.45Å; Y348-S357 VanDerWaalsContact CE2-OG 3.29Å; Y348-S357 WeakPolarHBondContact CE2-OG 3.31Å; Y348-L361 HydrophobicContact CD1-CD1 4Å; Y348-L361 HydrophobicContact CD2-CB 3.7Å; Y348-L361 HydrophobicContact CD2-CD1 4.01Å; Y348-L361 HydrophobicContact CD2-CD2 4.14Å; Y348-L361 HydrophobicContact CD2-CG 4.17Å; Y348-L361 HydrophobicContact CE1-CD1 4.26Å; Y348-L361 HydrophobicContact CE1-CD2 4.24Å; Y348-L361 HydrophobicContact CE2-CB 3.85Å; Y348-L361 HydrophobicContact CE2-CD1 4.23Å; Y348-L361 HydrophobicContact CE2-CD2 3.57Å; Y348-L361 HydrophobicContact CE2-CG 4.1Å; Y348-L361 HydrophobicContact CG-CB 4.36Å; Y348-L361 HydrophobicContact CG-CD1 3.88Å; Y348-Q387 VanDerWaalsContact CZ-NE2 3.27Å; Y348-Q387 WeakPolarHBondContact OH-CG 3.49Å; Y348-Q387 PolarHBondContact OH-NE2 2.93Å |
| 349 | V | 73.8 | Confident | 74 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 178.6 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | H5 L8 S345 W346 G351 Q352 | H5-V349 WeakPolarHBondContact CE1-CG2 3.47Å; H5-V349 WeakPolarHBondContact ND1-CG2 3.42Å; L8-V349 HydrophobicContact CD1-CG2 4.05Å; S345-V349 WeakPolarHBondContact O-CG2 3.45Å; S345-V349 PolarHBondContact O-N 3.45Å; W346-V349 HydrophobicContact CE3-CB 4.08Å; W346-V349 HydrophobicContact CE3-CG1 4.42Å; W346-V349 HydrophobicContact CE3-CG2 3.95Å; W346-V349 HydrophobicContact CZ3-CB 4.34Å; W346-V349 HydrophobicContact CZ3-CG1 4.23Å; W346-V349 HydrophobicContact CZ3-CG2 4.19Å; W346-V349 WeakPolarHBondContact O-CB 3.29Å; W346-V349 PolarHBondContact O-N 3.02Å; V349-G351 VanDerWaalsContact C-N 3.32Å; V349-Q352 WeakPolarHBondContact O-CB 3.4Å; V349-Q352 PolarHBondContact O-N 3.43Å |
| 350 | L | 76.5 | Confident | 73.7 | Confident | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 175 | -68.6 | 179.9 | 0 | 0 | 0 | 112.3 | C312 Y317 A320 E321 L324 W346 Y348 Q352 | C312-L350 WeakPolarHBondContact SG-CD2 3.48Å; Y317-L350 HydrophobicContact CD1-CD2 3.82Å; A320-L350 HydrophobicContact CB-CD1 4.15Å; A320-L350 HydrophobicContact CB-CD2 3.77Å; E321-L350 HydrophobicContact CB-CD1 4.22Å; L324-L350 HydrophobicContact CB-CD1 4.42Å; L324-L350 HydrophobicContact CD2-CD1 3.64Å; W346-L350 PolarHBondContact O-N 3.47Å; Y348-L350 VanDerWaalsContact C-N 3.32Å; Y348-L350 PolarHBondContact O-N 2.99Å; L350-Q352 VanDerWaalsContact C-N 3.34Å; L350-Q352 PolarHBondContact O-N 2.62Å |
| 351 | G | 69.3 | Low | 73.5 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -80.8 | -2.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L347 Y348 V349 K353 R354 S357 | L347-G351 WeakPolarHBondContact O-CA 3.49Å; L347-G351 PolarHBondContact O-N 3.02Å; Y348-G351 CarbonylContact O-C 3.51Å; Y348-G351 WeakPolarHBondContact O-CA 3.48Å; Y348-G351 PolarHBondContact O-N 3.42Å; V349-G351 VanDerWaalsContact C-N 3.32Å; G351-K353 PolarHBondContact O-N 3.23Å; G351-R354 WeakPolarHBondContact O-CB 3.32Å; G351-R354 PolarHBondContact O-N 3.2Å; G351-S357 WeakPolarHBondContact O-CB 3.42Å |
| 352 | Q | 62.2 | Low | 73.5 | Confident | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -21.8 | -179.5 | -172.8 | 63.3 | 35.6 | 0 | 0 | 113.2 | Y348 V349 L350 Q387 | Y348-Q352 VanDerWaalsContact CZ-OE1 3.24Å; Y348-Q352 PolarHBondContact O-N 3.21Å; Y348-Q352 PolarHBondContact OH-OE1 2.86Å; Y348-Q352 VanDerWaalsContact OH-OE1 3.04Å; V349-Q352 WeakPolarHBondContact O-CB 3.4Å; V349-Q352 PolarHBondContact O-N 3.43Å; L350-Q352 VanDerWaalsContact C-N 3.34Å; L350-Q352 PolarHBondContact O-N 2.62Å; Q352-Q387 VanDerWaalsContact CD-NE2 3.34Å; Q352-Q387 VanDerWaalsContact NE2-NE2 3.18Å |
| 353 | K | 55.7 | Low | 73.5 | Confident | 178 Ų | 178 | 58.9 Ų | 58.9 | 77% | 0.774 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11 | 174.3 | -65.3 | -177.1 | -179.4 | 174 | 0 | 114.8 | G351 | G351-K353 PolarHBondContact O-N 3.23Š|
| 354 | R | 59 | Low | 73.4 | Confident | 164 Ų | 164 | 59.1 Ų | 59.1 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -100.1 | 145 | -177 | -67.7 | -178.7 | 151 | 102.3 | -4.5 | 111.2 | G351 D356 S357 | G351-R354 WeakPolarHBondContact O-CB 3.32Å; G351-R354 PolarHBondContact O-N 3.2Å; R354-D356 VanDerWaalsContact C-N 3.27Å; R354-D356 PolarHBondContact O-N 2.84Å; R354-S357 WeakPolarHBondContact O-CB 3.49Å; R354-S357 PolarHBondContact O-N 3.43Å |
| 355 | S | 54.5 | Low | 73.6 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.9 | -176.8 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | S357 | S355-S357 VanDerWaalsContact C-N 3.33Å; S355-S357 PolarHBondContact O-N 3.12Å |
| 356 | D | 59.4 | Low | 73.9 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 57% | 0.572 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 9.5 | -169.8 | -56.1 | -15.4 | 0 | 0 | 0 | 113.1 | R354 Y358 V359 | R354-D356 VanDerWaalsContact C-N 3.27Å; R354-D356 PolarHBondContact O-N 2.84Å; D356-Y358 VanDerWaalsContact C-N 3.26Å; D356-Y358 PolarHBondContact O-N 3.22Å; D356-V359 PolarHBondContact O-N 3.04Å |
| 357 | S | 67.4 | Low | 74.1 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -32.1 | -174.7 | -170 | 0 | 0 | 0 | 0 | 113.3 | Y348 G351 R354 S355 V359 L360 L361 | Y348-S357 WeakPolarHBondContact CD2-OG 3.45Å; Y348-S357 VanDerWaalsContact CE2-OG 3.29Å; Y348-S357 WeakPolarHBondContact CE2-OG 3.31Å; G351-S357 WeakPolarHBondContact O-CB 3.42Å; R354-S357 WeakPolarHBondContact O-CB 3.49Å; R354-S357 PolarHBondContact O-N 3.43Å; S355-S357 VanDerWaalsContact C-N 3.33Å; S355-S357 PolarHBondContact O-N 3.12Å; S357-V359 PolarHBondContact O-N 3.18Å; S357-L360 PolarHBondContact O-N 3.03Å; S357-L361 PolarHBondContact O-N 3.33Å |
| 358 | Y | 73.6 | Confident | 74.3 | Confident | 122 Ų | 122 | 65.8 Ų | 65.8 | 48% | 0.478 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | -177.4 | 81.8 | -87.5 | 0 | 0 | 0 | 113.7 | D356 L361 E362 | D356-Y358 VanDerWaalsContact C-N 3.26Å; D356-Y358 PolarHBondContact O-N 3.22Å; Y358-L361 PolarHBondContact O-N 2.99Å; Y358-E362 PolarHBondContact O-N 2.88Å |
| 359 | V | 79 | Confident | 74.9 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | D356 S357 L361 E362 H363 | D356-V359 PolarHBondContact O-N 3.04Å; S357-V359 PolarHBondContact O-N 3.18Å; V359-L361 VanDerWaalsContact C-N 3.29Å; V359-L361 PolarHBondContact O-N 3.45Å; V359-E362 PolarHBondContact O-N 3.42Å; V359-H363 PolarHBondContact O-CD2 3.28Å; V359-H363 PolarHBondContact O-N 2.94Å |
| 360 | L | 77.2 | Confident | 75.5 | Confident | 92 Ų | 92 | 76 Ų | 76 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.7 | -66.8 | 174.2 | 0 | 0 | 0 | 111.1 | S357 H363 S364 | S357-L360 PolarHBondContact O-N 3.03Å; L360-H363 PolarHBondContact O-N 3.49Å; L360-S364 WeakPolarHBondContact O-CB 3.39Å; L360-S364 PolarHBondContact O-N 3.21Å |
| 361 | L | 80.8 | Confident | 75.8 | Confident | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 178.6 | -170.6 | 64.9 | 0 | 0 | 0 | 112.6 | Y348 S357 Y358 V359 H363 S364 V365 L384 | Y348-L361 HydrophobicContact CD1-CD1 4Å; Y348-L361 HydrophobicContact CD2-CB 3.7Å; Y348-L361 HydrophobicContact CD2-CD1 4.01Å; Y348-L361 HydrophobicContact CD2-CD2 4.14Å; Y348-L361 HydrophobicContact CD2-CG 4.17Å; Y348-L361 HydrophobicContact CE1-CD1 4.26Å; Y348-L361 HydrophobicContact CE1-CD2 4.24Å; Y348-L361 HydrophobicContact CE2-CB 3.85Å; Y348-L361 HydrophobicContact CE2-CD1 4.23Å; Y348-L361 HydrophobicContact CE2-CD2 3.57Å; Y348-L361 HydrophobicContact CE2-CG 4.1Å; Y348-L361 HydrophobicContact CG-CB 4.36Å; Y348-L361 HydrophobicContact CG-CD1 3.88Å; S357-L361 PolarHBondContact O-N 3.33Å; Y358-L361 PolarHBondContact O-N 2.99Å; V359-L361 VanDerWaalsContact C-N 3.29Å; V359-L361 PolarHBondContact O-N 3.45Å; L361-H363 VanDerWaalsContact C-N 3.29Å; L361-H363 PolarHBondContact O-N 3.07Å; L361-S364 WeakPolarHBondContact O-CB 3.48Å; L361-S364 PolarHBondContact O-N 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.3Å; L361-V365 PolarHBondContact O-N 3.34Å; L361-L384 VanDerWaalsContact CD2-CA 3.45Å; L361-L384 HydrophobicContact CD2-CB 3.6Å; L361-L384 HydrophobicContact CD2-CD1 4.12Å; L361-L384 HydrophobicContact CD2-CG 4.46Å; L361-L384 VanDerWaalsContact CD2-N 3.31Å; L361-L384 HydrophobicContact CG-CB 4.32Å |
| 362 | E | 84.4 | Confident | 76.6 | Confident | 50 Ų | 50 | 80.3 Ų | 80.3 | 23% | 0.234 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 176.1 | -76.4 | -175 | -167.5 | 0 | 0 | 112.1 | Y358 V359 K366 L384 R388 | Y358-E362 PolarHBondContact O-N 2.88Å; V359-E362 PolarHBondContact O-N 3.42Å; E362-K366 WeakPolarHBondContact O-CG 3.43Å; E362-K366 PolarHBondContact O-N 3.18Å; E362-K366 VanDerWaalsContact O-N 3.1Å; E362-L384 HydrophobicContact CG-CD1 3.89Å; E362-L384 HydrophobicContact CG-CD2 3.81Å; E362-R388 IonicContact OE1-CZ 3.94Å; E362-R388 IonicContact OE1-NE 3.59Å; E362-R388 IonicContact OE1-NH2 2.7Å; E362-R388 PolarHBondContact OE1-NH2 3.22Å |
| 363 | H | 84 | Confident | 77.6 | Confident | 105 Ų | 105 | 76.5 Ų | 76.5 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 175.7 | -80.3 | -125.1 | 0 | 0 | 0 | 111.6 | V359 L360 L361 K366 K367 | V359-H363 PolarHBondContact O-CD2 3.28Å; V359-H363 PolarHBondContact O-N 2.94Å; L360-H363 PolarHBondContact O-N 3.49Å; L361-H363 VanDerWaalsContact C-N 3.29Å; L361-H363 PolarHBondContact O-N 3.07Å; H363-K366 PolarHBondContact O-N 3.44Å; H363-K367 WeakPolarHBondContact O-CB 3.3Å; H363-K367 WeakPolarHBondContact O-CG 3.17Å; H363-K367 PolarHBondContact O-N 2.71Å |
| 364 | S | 83.9 | Confident | 79 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 4% | 0.035 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | S345 L360 L361 K367 A368 | S345-S364 PolarHBondContact OG-OG 2.64Å; L360-S364 WeakPolarHBondContact O-CB 3.39Å; L360-S364 PolarHBondContact O-N 3.21Å; L361-S364 WeakPolarHBondContact O-CB 3.48Å; L361-S364 PolarHBondContact O-N 3.3Å; S364-K367 PolarHBondContact O-N 2.89Å; S364-A368 WeakPolarHBondContact O-CB 3.31Å; S364-A368 PolarHBondContact O-N 3Å |
| 365 | V | 86.4 | Confident | 80.2 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | L361 K367 A368 V369 I381 | L361-V365 WeakPolarHBondContact O-CG2 3.3Å; L361-V365 PolarHBondContact O-N 3.34Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 3.47Å; V365-A368 PolarHBondContact O-N 3.02Å; V365-V369 WeakPolarHBondContact O-CG2 3.4Å; V365-V369 PolarHBondContact O-N 2.97Å; V365-I381 HydrophobicContact CG1-CD1 4.32Å; V365-I381 HydrophobicContact CG1-CG1 3.75Å; V365-I381 HydrophobicContact CG2-CG1 4.41Å |
| 366 | K | 87 | Confident | 81.5 | Confident | 135 Ų | 135 | 57.5 Ų | 57.5 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.5 | -42.1 | 179.6 | -72.7 | 173.4 | -175.7 | 173 | 0 | 111.7 | E362 H363 H370 | E362-K366 WeakPolarHBondContact O-CG 3.43Å; E362-K366 PolarHBondContact O-N 3.18Å; E362-K366 VanDerWaalsContact O-N 3.1Å; H363-K366 PolarHBondContact O-N 3.44Å; K366-H370 WeakPolarHBondContact O-CB 3.19Å; K366-H370 PolarHBondContact O-N 3.42Å |
| 367 | K | 85.7 | Confident | 82.8 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 176.5 | -74 | -172 | -178.7 | -172.7 | 0 | 112.1 | Q341 L344 H363 S364 V365 V369 H370 F371 | Q341-K367 HydrophobicContact CG-CB 4.38Å; L344-K367 HydrophobicContact CD1-CD 4.4Å; H363-K367 WeakPolarHBondContact O-CB 3.3Å; H363-K367 WeakPolarHBondContact O-CG 3.17Å; H363-K367 PolarHBondContact O-N 2.71Å; S364-K367 PolarHBondContact O-N 2.89Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 3.47Å; K367-V369 VanDerWaalsContact C-N 3.29Å; K367-V369 PolarHBondContact O-N 2.72Å; K367-H370 WeakPolarHBondContact O-CB 3.46Å; K367-H370 PolarHBondContact O-N 3.05Å; K367-H370 VanDerWaalsContact O-N 3.14Å; K367-F371 HydrophobicContact CB-CD2 4.24Å; K367-F371 HydrophobicContact CB-CE2 4.16Å; K367-F371 WeakPolarHBondContact O-CD2 3.49Å; K367-F371 PolarHBondContact O-N 3.39Å |
| 368 | A | 86.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S364 V365 F371 G372 L373 L376 A377 | S364-A368 WeakPolarHBondContact O-CB 3.31Å; S364-A368 PolarHBondContact O-N 3Å; V365-A368 PolarHBondContact O-N 3.02Å; A368-F371 PolarHBondContact O-N 3.34Å; A368-G372 PolarHBondContact O-N 3.45Å; A368-L373 HydrophobicContact CB-CB 4.37Å; A368-L373 PolarHBondContact O-N 3.31Å; A368-L376 HydrophobicContact CB-CB 4.05Å; A368-A377 HydrophobicContact CB-CB 4Å |
| 369 | V | 86.9 | Confident | 84.4 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V365 K367 F371 G372 A377 | V365-V369 WeakPolarHBondContact O-CG2 3.4Å; V365-V369 PolarHBondContact O-N 2.97Å; K367-V369 VanDerWaalsContact C-N 3.29Å; K367-V369 PolarHBondContact O-N 2.72Å; V369-F371 VanDerWaalsContact C-N 3.29Å; V369-F371 PolarHBondContact O-N 3.35Å; V369-G372 PolarHBondContact O-N 3.31Å; V369-A377 HydrophobicContact CG2-CB 3.71Å |
| 370 | H | 86.8 | Confident | 84.7 | Confident | 149 Ų | 149 | 44.1 Ų | 44.1 | 69% | 0.69 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.5 | -39.4 | 178.6 | 177.4 | -83.5 | 0 | 0 | 0 | 112.8 | K366 K367 G372 | K366-H370 WeakPolarHBondContact O-CB 3.19Å; K366-H370 PolarHBondContact O-N 3.42Å; K367-H370 WeakPolarHBondContact O-CB 3.46Å; K367-H370 PolarHBondContact O-N 3.05Å; K367-H370 VanDerWaalsContact O-N 3.14Å; H370-G372 VanDerWaalsContact C-N 3.29Å; H370-G372 PolarHBondContact O-N 3.42Å |
| 371 | F | 83.2 | Confident | 85.4 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 31% | 0.307 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 4.1 | 178.4 | -67 | -60.9 | 0 | 0 | 0 | 113.9 | H337 Q341 K367 A368 V369 L373 | H337-F371 HydrophobicContact CB-CD1 4.3Å; H337-F371 HydrophobicContact CB-CE1 3.7Å; H337-F371 HydrophobicContact CB-CE2 4.11Å; H337-F371 HydrophobicContact CB-CZ 3.6Å; H337-F371 AromaticContact CG-CZ 3.88Å; Q341-F371 HydrophobicContact CG-CD2 3.6Å; Q341-F371 HydrophobicContact CG-CE2 4.08Å; K367-F371 HydrophobicContact CB-CD2 4.24Å; K367-F371 HydrophobicContact CB-CE2 4.16Å; K367-F371 WeakPolarHBondContact O-CD2 3.49Å; K367-F371 PolarHBondContact O-N 3.39Å; A368-F371 PolarHBondContact O-N 3.34Å; V369-F371 VanDerWaalsContact C-N 3.29Å; V369-F371 PolarHBondContact O-N 3.35Å; F371-L373 HydrophobicContact CB-CD1 4.05Å; F371-L373 HydrophobicContact CB-CG 4.12Å |
| 372 | G | 84.3 | Confident | 85.7 | Confident | 56 Ų | 56 | 40.7 Ų | 40.7 | 58% | 0.577 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 37.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A368 V369 H370 P374 | A368-G372 PolarHBondContact O-N 3.45Å; V369-G372 PolarHBondContact O-N 3.31Å; H370-G372 VanDerWaalsContact C-N 3.29Å; H370-G372 PolarHBondContact O-N 3.42Å; G372-P374 WeakPolarHBondContact O-CD 3.37Å |
| 373 | L | 84.7 | Confident | 85.9 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | trans | -106 | 74.2 | 179.8 | -58.2 | 172.9 | 0 | 0 | 0 | 110.2 | N16 V338 Q341 A368 F371 Y375 L376 A377 | N16-L373 HydrophobicContact CB-CD2 4.39Å; V338-L373 HydrophobicContact CG1-CD1 4.11Å; V338-L373 HydrophobicContact CG1-CD2 4.11Å; Q341-L373 HydrophobicContact CB-CD1 4.02Å; Q341-L373 HydrophobicContact CG-CD1 4.14Å; A368-L373 HydrophobicContact CB-CB 4.37Å; A368-L373 PolarHBondContact O-N 3.31Å; F371-L373 HydrophobicContact CB-CD1 4.05Å; F371-L373 HydrophobicContact CB-CG 4.12Å; L373-Y375 VanDerWaalsContact C-N 3.31Å; L373-Y375 PolarHBondContact O-N 2.99Å; L373-L376 HydrophobicContact CB-CB 4.36Å; L373-L376 HydrophobicContact CB-CD1 4.36Å; L373-L376 HydrophobicContact CD1-CD1 4.04Å; L373-L376 PolarHBondContact O-N 3.25Å; L373-A377 WeakPolarHBondContact O-CB 3.34Å; L373-A377 PolarHBondContact O-N 3.2Å | ||
| 374 | P | 84.8 | Confident | 86 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -33.8 | -170.1 | 25.1 | -35.8 | 0 | 0 | 0 | 113.4 | G372 A377 S378 L408 H412 L414 | G372-P374 WeakPolarHBondContact O-CD 3.37Å; P374-A377 PolarHBondContact O-N 3.3Å; P374-S378 WeakPolarHBondContact O-CB 3.23Å; P374-S378 PolarHBondContact O-N 3.14Å; P374-L408 HydrophobicContact CB-CD2 4.46Å; P374-H412 HydrophobicContact CG-CB 4.41Å; P374-L414 HydrophobicContact CB-CD1 4.42Å |
| 375 | Y | 83.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 34 Ų | 34 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -49.4 | 178.2 | -176.2 | -90.9 | 0 | 0 | 0 | 111.6 | S7 N11 N16 L373 S378 L379 L414 L417 | S7-Y375 WeakPolarHBondContact CB-OH 3.41Å; S7-Y375 PolarHBondContact O-OH 3.15Å; N11-Y375 HydrophobicContact CB-CE1 4.02Å; N11-Y375 WeakPolarHBondContact CB-OH 3.43Å; N11-Y375 WeakPolarHBondContact ND2-CE2 3.49Å; N11-Y375 PolarHBondContact ND2-OH 3.32Å; N16-Y375 WeakPolarHBondContact OD1-CB 3.38Å; L373-Y375 VanDerWaalsContact C-N 3.31Å; L373-Y375 PolarHBondContact O-N 2.99Å; Y375-S378 PolarHBondContact O-N 3.48Å; Y375-L379 HydrophobicContact CD1-CD1 3.75Å; Y375-L379 HydrophobicContact CD1-CG 4.43Å; Y375-L379 HydrophobicContact CE1-CD1 3.24Å; Y375-L379 HydrophobicContact CE1-CG 4.2Å; Y375-L379 WeakPolarHBondContact O-CG 3.21Å; Y375-L379 PolarHBondContact O-N 3.04Å; Y375-L414 HydrophobicContact CD2-CD2 4.5Å; Y375-L417 HydrophobicContact CD2-CD1 3.58Å; Y375-L417 HydrophobicContact CD2-CD2 4.18Å; Y375-L417 HydrophobicContact CD2-CG 4Å; Y375-L417 HydrophobicContact CE2-CD1 4.01Å; Y375-L417 HydrophobicContact CE2-CD2 3.73Å; Y375-L417 HydrophobicContact CE2-CG 3.94Å; Y375-L417 HydrophobicContact CG-CD1 4.18Å |
| 376 | L | 83.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 175.8 | -73.1 | 173.8 | 0 | 0 | 0 | 112.3 | L8 N16 Q341 A368 L373 S378 L379 G380 | L8-L376 HydrophobicContact CD2-CD2 3.91Å; N16-L376 WeakPolarHBondContact ND2-CD1 3.11Å; N16-L376 VanDerWaalsContact ND2-CG 3.3Å; N16-L376 WeakPolarHBondContact ND2-CG 3.31Å; Q341-L376 HydrophobicContact CB-CD1 4.35Å; A368-L376 HydrophobicContact CB-CB 4.05Å; L373-L376 HydrophobicContact CB-CB 4.36Å; L373-L376 HydrophobicContact CB-CD1 4.36Å; L373-L376 HydrophobicContact CD1-CD1 4.04Å; L373-L376 PolarHBondContact O-N 3.25Å; L376-S378 VanDerWaalsContact C-N 3.3Å; L376-S378 PolarHBondContact O-N 3.07Å; L376-L379 PolarHBondContact O-N 3.23Å; L376-G380 PolarHBondContact O-N 3.07Å |
| 377 | A | 86.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A368 V369 L373 P374 G380 I381 L408 | A368-A377 HydrophobicContact CB-CB 4Å; V369-A377 HydrophobicContact CG2-CB 3.71Å; L373-A377 WeakPolarHBondContact O-CB 3.34Å; L373-A377 PolarHBondContact O-N 3.2Å; P374-A377 PolarHBondContact O-N 3.3Å; A377-G380 PolarHBondContact O-N 3.48Å; A377-I381 VanDerWaalsContact O-CG1 3.23Å; A377-I381 WeakPolarHBondContact O-CG1 3.29Å; A377-I381 PolarHBondContact O-N 2.84Å; A377-L408 HydrophobicContact CB-CD1 4.32Å |
| 378 | S | 88.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -53.2 | 175.5 | 163.2 | 0 | 0 | 0 | 0 | 112.5 | P374 Y375 L376 G380 I381 Q382 S405 H409 L417 | P374-S378 WeakPolarHBondContact O-CB 3.23Å; P374-S378 PolarHBondContact O-N 3.14Å; Y375-S378 PolarHBondContact O-N 3.48Å; L376-S378 VanDerWaalsContact C-N 3.3Å; L376-S378 PolarHBondContact O-N 3.07Å; S378-G380 PolarHBondContact O-N 3.33Å; S378-I381 WeakPolarHBondContact O-CB 3.26Å; S378-I381 PolarHBondContact O-N 3.4Å; S378-Q382 WeakPolarHBondContact O-CG 3.41Å; S378-Q382 PolarHBondContact O-N 3.34Å; S378-S405 PolarHBondContact OG-OG 3.39Å; S378-H409 PolarHBondContact OG-NE2 3.35Å; S378-L417 WeakPolarHBondContact OG-CD1 3.06Å |
| 379 | L | 85.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -37.5 | 179.5 | -71.5 | 179.3 | 0 | 0 | 0 | 111.9 | V4 L8 Y375 L376 Q382 S383 L417 | V4-L379 HydrophobicContact CG1-CB 4.09Å; V4-L379 HydrophobicContact CG1-CD2 3.65Å; V4-L379 HydrophobicContact CG1-CG 4.48Å; V4-L379 VanDerWaalsContact CG1-O 3.26Å; V4-L379 WeakPolarHBondContact CG1-O 3.49Å; L8-L379 HydrophobicContact CD2-CD1 3.73Å; L8-L379 HydrophobicContact CG-CD1 3.96Å; Y375-L379 HydrophobicContact CD1-CD1 3.75Å; Y375-L379 HydrophobicContact CD1-CG 4.43Å; Y375-L379 HydrophobicContact CE1-CD1 3.24Å; Y375-L379 HydrophobicContact CE1-CG 4.2Å; Y375-L379 WeakPolarHBondContact O-CG 3.21Å; Y375-L379 PolarHBondContact O-N 3.04Å; L376-L379 PolarHBondContact O-N 3.23Å; L379-Q382 PolarHBondContact O-N 3.4Å; L379-S383 WeakPolarHBondContact O-CB 3.49Å; L379-S383 PolarHBondContact O-N 3.19Å; L379-S383 PolarHBondContact O-OG 3.38Å; L379-L417 HydrophobicContact CD2-CD2 3.59Å; L379-L417 HydrophobicContact CG-CD2 4.09Å |
| 380 | G | 86.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L376 A377 S378 S383 L384 | L376-G380 PolarHBondContact O-N 3.07Å; A377-G380 PolarHBondContact O-N 3.48Å; S378-G380 PolarHBondContact O-N 3.33Å; G380-S383 PolarHBondContact O-N 3.47Å; G380-L384 VanDerWaalsContact O-CB 3.27Å; G380-L384 WeakPolarHBondContact O-CB 3.29Å; G380-L384 PolarHBondContact O-N 3.15Å |
| 381 | I | 89.8 | Confident | 87 | Confident | 21 Ų | 21 | 25.2 Ų | 25.2 | 11% | 0.108 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 174.5 | -68 | 162.7 | 0 | 0 | 0 | 110.8 | V365 A377 S378 S383 L384 V385 A401 L408 | V365-I381 HydrophobicContact CG1-CD1 4.32Å; V365-I381 HydrophobicContact CG1-CG1 3.75Å; V365-I381 HydrophobicContact CG2-CG1 4.41Å; A377-I381 VanDerWaalsContact O-CG1 3.23Å; A377-I381 WeakPolarHBondContact O-CG1 3.29Å; A377-I381 PolarHBondContact O-N 2.84Å; S378-I381 WeakPolarHBondContact O-CB 3.26Å; S378-I381 PolarHBondContact O-N 3.4Å; I381-S383 VanDerWaalsContact C-N 3.35Å; I381-S383 PolarHBondContact O-N 3.04Å; I381-L384 WeakPolarHBondContact O-CB 3.35Å; I381-L384 PolarHBondContact O-N 3.09Å; I381-L384 VanDerWaalsContact O-N 3.17Å; I381-V385 HydrophobicContact CG2-CG2 4.35Å; I381-V385 WeakPolarHBondContact O-CB 3.37Å; I381-V385 VanDerWaalsContact O-CG2 3.3Å; I381-V385 WeakPolarHBondContact O-CG2 3.5Å; I381-V385 PolarHBondContact O-N 3.42Å; I381-A401 HydrophobicContact CG2-CB 4.39Å; I381-A401 VanDerWaalsContact CG2-O 3.29Å; I381-A401 WeakPolarHBondContact CG2-O 3.4Å; I381-L408 HydrophobicContact CD1-CD1 4.35Å |
| 382 | Q | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 178.3 | -66.8 | -68.1 | -21 | 0 | 0 | 111.3 | V4 S378 L379 L384 V385 Q386 S405 S421 | V4-Q382 HydrophobicContact CG1-CB 3.79Å; V4-Q382 HydrophobicContact CG2-CB 3.88Å; S378-Q382 WeakPolarHBondContact O-CG 3.41Å; S378-Q382 PolarHBondContact O-N 3.34Å; L379-Q382 PolarHBondContact O-N 3.4Å; Q382-L384 VanDerWaalsContact C-N 3.33Å; Q382-L384 PolarHBondContact O-N 2.92Å; Q382-V385 PolarHBondContact O-N 3.17Å; Q382-Q386 PolarHBondContact O-N 3.3Å; Q382-S405 PolarHBondContact NE2-OG 3.05Å; Q382-S421 PolarHBondContact NE2-OG 3.03Å |
| 383 | S | 87.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | V4 L379 G380 I381 Q386 Q387 | V4-S383 VanDerWaalsContact CG1-OG 3.29Å; V4-S383 WeakPolarHBondContact CG1-OG 3.39Å; L379-S383 WeakPolarHBondContact O-CB 3.49Å; L379-S383 PolarHBondContact O-N 3.19Å; L379-S383 PolarHBondContact O-OG 3.38Å; G380-S383 PolarHBondContact O-N 3.47Å; I381-S383 VanDerWaalsContact C-N 3.35Å; I381-S383 PolarHBondContact O-N 3.04Å; S383-Q386 PolarHBondContact O-N 3.43Å; S383-Q387 PolarHBondContact O-N 3.33Å |
| 384 | L | 87.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 25.7 Ų | 25.7 | 7% | 0.073 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | -179 | -177.8 | 63 | 0 | 0 | 0 | 110.9 | L361 E362 G380 I381 Q382 R388 | L361-L384 VanDerWaalsContact CD2-CA 3.45Å; L361-L384 HydrophobicContact CD2-CB 3.6Å; L361-L384 HydrophobicContact CD2-CD1 4.12Å; L361-L384 HydrophobicContact CD2-CG 4.46Å; L361-L384 VanDerWaalsContact CD2-N 3.31Å; L361-L384 HydrophobicContact CG-CB 4.32Å; E362-L384 HydrophobicContact CG-CD1 3.89Å; E362-L384 HydrophobicContact CG-CD2 3.81Å; G380-L384 VanDerWaalsContact O-CB 3.27Å; G380-L384 WeakPolarHBondContact O-CB 3.29Å; G380-L384 PolarHBondContact O-N 3.15Å; I381-L384 WeakPolarHBondContact O-CB 3.35Å; I381-L384 PolarHBondContact O-N 3.09Å; I381-L384 VanDerWaalsContact O-N 3.17Å; Q382-L384 VanDerWaalsContact C-N 3.33Å; Q382-L384 PolarHBondContact O-N 2.92Å; L384-R388 HydrophobicContact CD1-CG 4.37Å; L384-R388 VanDerWaalsContact O-CB 3.25Å; L384-R388 WeakPolarHBondContact O-CB 3.47Å; L384-R388 WeakPolarHBondContact O-CG 3.43Å; L384-R388 PolarHBondContact O-N 3.32Å |
| 385 | V | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.4 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | I381 Q382 R388 A389 L398 A401 L402 I428 | I381-V385 HydrophobicContact CG2-CG2 4.35Å; I381-V385 WeakPolarHBondContact O-CB 3.37Å; I381-V385 VanDerWaalsContact O-CG2 3.3Å; I381-V385 WeakPolarHBondContact O-CG2 3.5Å; I381-V385 PolarHBondContact O-N 3.42Å; Q382-V385 PolarHBondContact O-N 3.17Å; V385-R388 PolarHBondContact O-N 3.46Å; V385-A389 WeakPolarHBondContact O-CB 3.2Å; V385-A389 PolarHBondContact O-N 3.41Å; V385-L398 HydrophobicContact CG1-CB 4.17Å; V385-L398 HydrophobicContact CG1-CD2 4.28Å; V385-A401 HydrophobicContact CG2-CB 3.74Å; V385-L402 HydrophobicContact CB-CD2 4.3Å; V385-L402 HydrophobicContact CB-CG 4.5Å; V385-L402 HydrophobicContact CG1-CD1 4.03Å; V385-L402 HydrophobicContact CG1-CD2 4.09Å; V385-L402 HydrophobicContact CG1-CG 3.99Å; V385-L402 HydrophobicContact CG2-CD2 4.1Å; V385-L402 HydrophobicContact CG2-CG 4.08Å; V385-I428 HydrophobicContact CG1-CD1 3.42Å; V385-I428 VanDerWaalsContact CG1-CD1 3.42Å |
| 386 | Q | 89.1 | Confident | 88.3 | Confident | 37 Ų | 37 | 29.8 Ų | 29.8 | 17% | 0.173 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 176.7 | 179.5 | 168.9 | 23 | 0 | 0 | 111.9 | M1 Q382 S383 R388 A389 F390 | M1-Q386 HydrophobicContact SD-CB 4.3Å; M1-Q386 HydrophobicContact SD-CG 3.68Å; Q382-Q386 PolarHBondContact O-N 3.3Å; S383-Q386 PolarHBondContact O-N 3.43Å; Q386-R388 VanDerWaalsContact C-N 3.34Å; Q386-R388 PolarHBondContact O-N 3.29Å; Q386-A389 WeakPolarHBondContact O-CB 3.45Å; Q386-A389 PolarHBondContact O-N 3.22Å; Q386-F390 HydrophobicContact CG-CD2 3.92Å; Q386-F390 HydrophobicContact CG-CE2 3.48Å; Q386-F390 VanDerWaalsContact CG-CE2 3.48Å; Q386-F390 HydrophobicContact CG-CZ 4.47Å; Q386-F390 WeakPolarHBondContact O-CD2 3.41Å; Q386-F390 PolarHBondContact O-N 3.1Å; Q386-F390 VanDerWaalsContact O-N 3.08Å |
| 387 | Q | 86.8 | Confident | 88.6 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.9 | -74.6 | -163.1 | -18.2 | 0 | 0 | 112.6 | Y348 Q352 S383 A389 F390 A391 | Y348-Q387 VanDerWaalsContact CZ-NE2 3.27Å; Y348-Q387 WeakPolarHBondContact OH-CG 3.49Å; Y348-Q387 PolarHBondContact OH-NE2 2.93Å; Q352-Q387 VanDerWaalsContact CD-NE2 3.34Å; Q352-Q387 VanDerWaalsContact NE2-NE2 3.18Å; S383-Q387 PolarHBondContact O-N 3.33Å; Q387-A389 VanDerWaalsContact C-N 3.29Å; Q387-A389 PolarHBondContact O-N 3.5Å; Q387-F390 PolarHBondContact O-N 3.32Å; Q387-A391 WeakPolarHBondContact O-CB 3.35Å; Q387-A391 PolarHBondContact O-N 3.45Å |
| 388 | R | 89.4 | Confident | 88.8 | Confident | 77 Ų | 77 | 36.4 Ų | 36.4 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.1 | -31.9 | 179.9 | -75.2 | 173.8 | 175.3 | 178.2 | -2.6 | 111.8 | E362 L384 V385 Q386 A391 G392 K393 L398 | E362-R388 IonicContact OE1-CZ 3.94Å; E362-R388 IonicContact OE1-NE 3.59Å; E362-R388 IonicContact OE1-NH2 2.7Å; E362-R388 PolarHBondContact OE1-NH2 3.22Å; L384-R388 HydrophobicContact CD1-CG 4.37Å; L384-R388 VanDerWaalsContact O-CB 3.25Å; L384-R388 WeakPolarHBondContact O-CB 3.47Å; L384-R388 WeakPolarHBondContact O-CG 3.43Å; L384-R388 PolarHBondContact O-N 3.32Å; V385-R388 PolarHBondContact O-N 3.46Å; Q386-R388 VanDerWaalsContact C-N 3.34Å; Q386-R388 PolarHBondContact O-N 3.29Å; R388-A391 CarbonylContact O-C 3.59Å; R388-A391 PolarHBondContact O-N 2.72Å; R388-G392 PolarHBondContact O-N 3.49Å; R388-K393 HydrophobicContact CB-CB 4.11Å; R388-K393 HydrophobicContact CB-CG 3.79Å; R388-K393 HydrophobicContact CG-CG 4.16Å; R388-K393 VanDerWaalsContact O-CB 3.27Å; R388-K393 WeakPolarHBondContact O-CB 3.26Å; R388-K393 WeakPolarHBondContact O-CG 3.37Å; R388-K393 PolarHBondContact O-N 3.4Å; R388-L398 HydrophobicContact CB-CD2 3.52Å |
| 389 | A | 90.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 V385 Q386 Q387 A391 G392 L398 L431 | M1-A389 HydrophobicContact CE-CB 4.14Å; V385-A389 WeakPolarHBondContact O-CB 3.2Å; V385-A389 PolarHBondContact O-N 3.41Å; Q386-A389 WeakPolarHBondContact O-CB 3.45Å; Q386-A389 PolarHBondContact O-N 3.22Å; Q387-A389 VanDerWaalsContact C-N 3.29Å; Q387-A389 PolarHBondContact O-N 3.5Å; A389-A391 VanDerWaalsContact C-N 3.35Å; A389-A391 PolarHBondContact O-N 3.06Å; A389-G392 VanDerWaalsContact O-CA 3.26Å; A389-G392 WeakPolarHBondContact O-CA 3.47Å; A389-G392 PolarHBondContact O-N 3.01Å; A389-L398 HydrophobicContact CB-CD1 3.75Å; A389-L431 HydrophobicContact CB-CD2 4.12Å |
| 390 | F | 88.1 | Confident | 89.1 | Confident | 99 Ų | 99 | 40.7 Ų | 40.7 | 43% | 0.434 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.2 | -29.2 | 176 | -67.3 | -53.4 | 0 | 0 | 0 | 113.9 | M1 Q386 Q387 G392 Y614 | M1-F390 HydrophobicContact SD-CE2 4.18Å; M1-F390 HydrophobicContact SD-CZ 3.98Å; Q386-F390 HydrophobicContact CG-CD2 3.92Å; Q386-F390 HydrophobicContact CG-CE2 3.48Å; Q386-F390 VanDerWaalsContact CG-CE2 3.48Å; Q386-F390 HydrophobicContact CG-CZ 4.47Å; Q386-F390 WeakPolarHBondContact O-CD2 3.41Å; Q386-F390 PolarHBondContact O-N 3.1Å; Q386-F390 VanDerWaalsContact O-N 3.08Å; Q387-F390 PolarHBondContact O-N 3.32Å; F390-G392 PolarHBondContact O-N 3.14Å; F390-Y614 VanDerWaalsContact O-CD1 3.32Å; F390-Y614 WeakPolarHBondContact O-CD1 2.97Å; F390-Y614 VanDerWaalsContact O-CE1 3.31Å; F390-Y614 WeakPolarHBondContact O-CE1 2.9Å |
| 391 | A | 88.7 | Confident | 89.3 | Confident | 62 Ų | 62 | 41.3 Ų | 41.3 | 51% | 0.512 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 6.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q387 R388 A389 K393 | Q387-A391 WeakPolarHBondContact O-CB 3.35Å; Q387-A391 PolarHBondContact O-N 3.45Å; R388-A391 CarbonylContact O-C 3.59Å; R388-A391 PolarHBondContact O-N 2.72Å; A389-A391 VanDerWaalsContact C-N 3.35Å; A389-A391 PolarHBondContact O-N 3.06Å; A391-K393 PolarHBondContact O-N 3Å |
| 392 | G | 88.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 20.5 | 171 | 0 | 0 | 0 | 0 | 0 | 114.6 | R388 A389 F390 R615 | R388-G392 PolarHBondContact O-N 3.49Å; A389-G392 VanDerWaalsContact O-CA 3.26Å; A389-G392 WeakPolarHBondContact O-CA 3.47Å; A389-G392 PolarHBondContact O-N 3.01Å; F390-G392 PolarHBondContact O-N 3.14Å; G392-R615 PolarHBondContact O-NE 3.02Å; G392-R615 PolarHBondContact O-NH2 2.66Å |
| 393 | K | 91.7 | Very high | 89.3 | Confident | 107 Ų | 107 | 46 Ų | 46 | 47% | 0.465 | 23% | 0.232 | S | C | . | . | trans | -57.9 | 171.1 | -178.7 | -67.4 | -67.7 | 179.1 | -177.5 | 0 | 113.4 | R388 A391 L398 Y432 R615 | R388-K393 HydrophobicContact CB-CB 4.11Å; R388-K393 HydrophobicContact CB-CG 3.79Å; R388-K393 HydrophobicContact CG-CG 4.16Å; R388-K393 VanDerWaalsContact O-CB 3.27Å; R388-K393 WeakPolarHBondContact O-CB 3.26Å; R388-K393 WeakPolarHBondContact O-CG 3.37Å; R388-K393 PolarHBondContact O-N 3.4Å; A391-K393 PolarHBondContact O-N 3Å; K393-L398 HydrophobicContact CB-CD2 4.23Å; K393-Y432 WeakPolarHBondContact O-CE1 3.28Å; K393-Y432 VanDerWaalsContact O-CZ 3.3Å; K393-Y432 PolarHBondContact O-OH 3.4Å; K393-R615 PolarHBondContact O-NE 3Å | ||
| 394 | T | 91.2 | Very high | 89 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | trans | -79.6 | 139 | -175.8 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | N396 K397 L398 | T394-N396 VanDerWaalsContact C-N 3.28Å; T394-N396 WeakPolarHBondContact CB-OD1 3.09Å; T394-N396 PolarHBondContact O-N 3.44Å; T394-N396 PolarHBondContact OG1-OD1 3.35Å; T394-K397 PolarHBondContact O-N 3.18Å; T394-K397 VanDerWaalsContact O-N 3.12Å; T394-K397 WeakPolarHBondContact OG1-CD 3.5Å; T394-K397 WeakPolarHBondContact OG1-CG 3.38Å; T394-L398 PolarHBondContact O-N 3.31Å | ||
| 395 | A | 87.2 | Confident | 89 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -39.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K397 L398 M399 Y432 | A395-K397 PolarHBondContact O-N 3.38Å; A395-L398 WeakPolarHBondContact O-CB 3.45Å; A395-L398 PolarHBondContact O-N 2.72Å; A395-L398 VanDerWaalsContact O-N 3.16Å; A395-M399 WeakPolarHBondContact O-CB 3.37Å; A395-M399 VanDerWaalsContact O-CG 3.23Å; A395-M399 WeakPolarHBondContact O-CG 3.35Å; A395-M399 PolarHBondContact O-N 3.13Å; A395-Y432 HydrophobicContact CB-CD1 3.88Å; A395-Y432 HydrophobicContact CB-CE1 4.02Å; A395-Y432 HydrophobicContact CB-CG 4.26Å |
| 396 | N | 89.2 | Confident | 88.9 | Confident | 98 Ų | 98 | 51.2 Ų | 51.2 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.5 | -47.5 | 176.5 | 61.4 | -20.3 | 0 | 0 | 0 | 112.9 | T394 L398 M399 D400 | T394-N396 VanDerWaalsContact C-N 3.28Å; T394-N396 WeakPolarHBondContact CB-OD1 3.09Å; T394-N396 PolarHBondContact O-N 3.44Å; T394-N396 PolarHBondContact OG1-OD1 3.35Å; N396-L398 VanDerWaalsContact C-N 3.29Å; N396-L398 PolarHBondContact O-N 3.44Å; N396-M399 PolarHBondContact O-N 3.22Å; N396-D400 WeakPolarHBondContact O-CB 3.4Å; N396-D400 VanDerWaalsContact O-CG 3.24Å; N396-D400 PolarHBondContact O-N 3.17Å |
| 397 | K | 89.3 | Confident | 88.8 | Confident | 141 Ų | 141 | 55.1 Ų | 55.1 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.2 | -34.2 | 179.2 | -67.8 | -177.5 | -178.6 | -175.5 | 0 | 112.3 | T394 A395 A401 | T394-K397 PolarHBondContact O-N 3.18Å; T394-K397 VanDerWaalsContact O-N 3.12Å; T394-K397 WeakPolarHBondContact OG1-CD 3.5Å; T394-K397 WeakPolarHBondContact OG1-CG 3.38Å; A395-K397 PolarHBondContact O-N 3.38Å; K397-A401 PolarHBondContact O-N 3.03Å |
| 398 | L | 91.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70 | -45.4 | 176.1 | -60.7 | -177.7 | 0 | 0 | 0 | 110.9 | V385 R388 A389 K393 T394 A395 N396 A401 L402 I428 Y432 | V385-L398 HydrophobicContact CG1-CB 4.17Å; V385-L398 HydrophobicContact CG1-CD2 4.28Å; R388-L398 HydrophobicContact CB-CD2 3.52Å; A389-L398 HydrophobicContact CB-CD1 3.75Å; K393-L398 HydrophobicContact CB-CD2 4.23Å; T394-L398 PolarHBondContact O-N 3.31Å; A395-L398 WeakPolarHBondContact O-CB 3.45Å; A395-L398 PolarHBondContact O-N 2.72Å; A395-L398 VanDerWaalsContact O-N 3.16Å; N396-L398 VanDerWaalsContact C-N 3.29Å; N396-L398 PolarHBondContact O-N 3.44Å; L398-A401 PolarHBondContact O-N 2.86Å; L398-L402 WeakPolarHBondContact O-CG 3.47Å; L398-L402 PolarHBondContact O-N 2.91Å; L398-I428 HydrophobicContact CD1-CG2 4.23Å; L398-Y432 HydrophobicContact CD1-CE2 3.99Å; L398-Y432 VanDerWaalsContact CD1-OH 3.24Å; L398-Y432 WeakPolarHBondContact CD1-OH 3.35Å |
| 399 | M | 90.1 | Very high | 88.6 | Confident | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 179.4 | -65.9 | -63.3 | 164.6 | 0 | 0 | 111.9 | A395 N396 L402 K403 K425 I428 W429 | A395-M399 WeakPolarHBondContact O-CB 3.37Å; A395-M399 VanDerWaalsContact O-CG 3.23Å; A395-M399 WeakPolarHBondContact O-CG 3.35Å; A395-M399 PolarHBondContact O-N 3.13Å; N396-M399 PolarHBondContact O-N 3.22Å; M399-L402 PolarHBondContact O-N 3.46Å; M399-L402 HydrophobicContact SD-CD1 4.26Å; M399-K403 WeakPolarHBondContact O-CG 3.38Å; M399-K403 PolarHBondContact O-N 2.85Å; M399-K425 HydrophobicContact SD-CG 4.36Å; M399-I428 HydrophobicContact CE-CB 4.04Å; M399-I428 HydrophobicContact CE-CG2 3.61Å; M399-W429 HydrophobicContact CE-CD2 3.57Å; M399-W429 HydrophobicContact CE-CE3 4.13Å; M399-W429 HydrophobicContact CE-CG 3.94Å; M399-W429 HydrophobicContact CE-CH2 4.17Å; M399-W429 HydrophobicContact CE-CZ2 3.6Å; M399-W429 HydrophobicContact CE-CZ3 4.41Å; M399-W429 HydrophobicContact CG-CH2 4.19Å; M399-W429 HydrophobicContact CG-CZ2 3.86Å; M399-W429 HydrophobicContact SD-CZ2 3.82Å |
| 400 | D | 89.9 | Confident | 88.2 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.3 | -68.5 | -26.4 | 0 | 0 | 0 | 111.6 | N396 L402 K403 D404 | N396-D400 WeakPolarHBondContact O-CB 3.4Å; N396-D400 VanDerWaalsContact O-CG 3.24Å; N396-D400 PolarHBondContact O-N 3.17Å; D400-L402 VanDerWaalsContact C-N 3.3Å; D400-L402 PolarHBondContact O-N 3.17Å; D400-K403 WeakPolarHBondContact O-CB 3.45Å; D400-K403 PolarHBondContact O-N 2.95Å; D400-K403 IonicContact OD1-NZ 3.53Å; D400-K403 PolarHBondContact OD1-NZ 2.91Å; D400-D404 PolarHBondContact O-N 3.44Å |
| 401 | A | 88.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I381 V385 K397 L398 D404 S405 | I381-A401 HydrophobicContact CG2-CB 4.39Å; I381-A401 VanDerWaalsContact CG2-O 3.29Å; I381-A401 WeakPolarHBondContact CG2-O 3.4Å; V385-A401 HydrophobicContact CG2-CB 3.74Å; K397-A401 PolarHBondContact O-N 3.03Å; L398-A401 PolarHBondContact O-N 2.86Å; A401-D404 PolarHBondContact O-N 3.43Å; A401-S405 PolarHBondContact O-N 3.1Å |
| 402 | L | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 175.2 | -70.9 | 172.4 | 0 | 0 | 0 | 112.5 | V385 L398 M399 D400 D404 S405 D406 K425 I428 | V385-L402 HydrophobicContact CB-CD2 4.3Å; V385-L402 HydrophobicContact CB-CG 4.5Å; V385-L402 HydrophobicContact CG1-CD1 4.03Å; V385-L402 HydrophobicContact CG1-CD2 4.09Å; V385-L402 HydrophobicContact CG1-CG 3.99Å; V385-L402 HydrophobicContact CG2-CD2 4.1Å; V385-L402 HydrophobicContact CG2-CG 4.08Å; L398-L402 WeakPolarHBondContact O-CG 3.47Å; L398-L402 PolarHBondContact O-N 2.91Å; M399-L402 PolarHBondContact O-N 3.46Å; M399-L402 HydrophobicContact SD-CD1 4.26Å; D400-L402 VanDerWaalsContact C-N 3.3Å; D400-L402 PolarHBondContact O-N 3.17Å; L402-D404 VanDerWaalsContact C-N 3.31Å; L402-D404 PolarHBondContact O-N 2.95Å; L402-S405 CarbonylContact O-C 3.56Å; L402-S405 WeakPolarHBondContact O-CA 3.36Å; L402-S405 VanDerWaalsContact O-CB 3.3Å; L402-S405 WeakPolarHBondContact O-CB 3.34Å; L402-S405 PolarHBondContact O-N 3.27Å; L402-S405 VanDerWaalsContact O-N 3.12Å; L402-D406 PolarHBondContact O-N 3.43Å; L402-K425 HydrophobicContact CD1-CG 3.68Å; L402-I428 HydrophobicContact CD1-CD1 3.7Å |
| 403 | K | 88.4 | Confident | 87.4 | Confident | 121 Ų | 121 | 67.4 Ų | 67.4 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 174.7 | -70.5 | 170 | -167.8 | 161 | 0 | 112 | M399 D400 S405 D406 L407 | M399-K403 WeakPolarHBondContact O-CG 3.38Å; M399-K403 PolarHBondContact O-N 2.85Å; D400-K403 WeakPolarHBondContact O-CB 3.45Å; D400-K403 PolarHBondContact O-N 2.95Å; D400-K403 IonicContact OD1-NZ 3.53Å; D400-K403 PolarHBondContact OD1-NZ 2.91Å; K403-S405 VanDerWaalsContact C-N 3.27Å; K403-S405 PolarHBondContact O-N 3.48Å; K403-D406 PolarHBondContact O-N 2.88Å; K403-L407 PolarHBondContact O-N 3.04Å |
| 404 | D | 82.6 | Confident | 86.9 | Confident | 105 Ų | 105 | 63.7 Ų | 63.7 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | 175.7 | -66.5 | -22.8 | 0 | 0 | 0 | 111.1 | D400 A401 L402 L408 | D400-D404 PolarHBondContact O-N 3.44Å; A401-D404 PolarHBondContact O-N 3.43Å; L402-D404 VanDerWaalsContact C-N 3.31Å; L402-D404 PolarHBondContact O-N 2.95Å; D404-L408 PolarHBondContact O-N 3.37Å |
| 405 | S | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 173.1 | -173.1 | 0 | 0 | 0 | 0 | 112 | S378 Q382 A401 L402 K403 L407 L408 H409 | S378-S405 PolarHBondContact OG-OG 3.39Å; Q382-S405 PolarHBondContact NE2-OG 3.05Å; A401-S405 PolarHBondContact O-N 3.1Å; L402-S405 CarbonylContact O-C 3.56Å; L402-S405 WeakPolarHBondContact O-CA 3.36Å; L402-S405 VanDerWaalsContact O-CB 3.3Å; L402-S405 WeakPolarHBondContact O-CB 3.34Å; L402-S405 PolarHBondContact O-N 3.27Å; L402-S405 VanDerWaalsContact O-N 3.12Å; K403-S405 VanDerWaalsContact C-N 3.27Å; K403-S405 PolarHBondContact O-N 3.48Å; S405-L407 VanDerWaalsContact C-N 3.3Å; S405-L407 PolarHBondContact O-N 3.42Å; S405-L408 WeakPolarHBondContact O-CB 3.02Å; S405-L408 PolarHBondContact O-N 3.06Å; S405-L408 VanDerWaalsContact O-N 3.14Å; S405-H409 PolarHBondContact O-CD2 3.34Å; S405-H409 VanDerWaalsContact O-CD2 3.22Å; S405-H409 PolarHBondContact O-CE1 3.45Å; S405-H409 VanDerWaalsContact O-CG 3.28Å; S405-H409 PolarHBondContact O-N 3.18Å; S405-H409 VanDerWaalsContact O-N 3.1Å; S405-H409 PolarHBondContact O-ND1 3.2Å; S405-H409 PolarHBondContact O-NE2 3.22Å; S405-H409 PolarHBondContact OG-CE1 3.47Å; S405-H409 PolarHBondContact OG-NE2 3.48Å |
| 406 | D | 88.2 | Confident | 85.9 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | -179.4 | -58.6 | -41.9 | 0 | 0 | 0 | 111.3 | L402 K403 L408 H409 W410 S421 K425 | L402-D406 PolarHBondContact O-N 3.43Å; K403-D406 PolarHBondContact O-N 2.88Å; D406-L408 VanDerWaalsContact C-N 3.25Å; D406-L408 PolarHBondContact O-N 2.88Å; D406-H409 WeakPolarHBondContact CA-ND1 3.22Å; D406-H409 WeakPolarHBondContact O-CB 3.39Å; D406-H409 PolarHBondContact O-N 3.15Å; D406-H409 IonicContact OD1-ND1 2.67Å; D406-W410 PolarHBondContact O-N 3.29Å; D406-S421 WeakPolarHBondContact OD1-CB 3.44Å; D406-S421 PolarHBondContact OD1-OG 3.27Å; D406-K425 IonicContact OD1-NZ 2.82Å; D406-K425 PolarHBondContact OD1-NZ 2.9Å; D406-K425 WeakPolarHBondContact OD2-CE 3.42Å; D406-K425 IonicContact OD2-NZ 3.89Å; D406-K425 PolarHBondContact OD2-NZ 3.45Å |
| 407 | L | 87.6 | Confident | 85.7 | Confident | 120 Ų | 120 | 59 Ų | 59 | 63% | 0.628 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.9 | -40.2 | 176.7 | -178.8 | 63.9 | 0 | 0 | 0 | 111.7 | K403 S405 H409 K411 | K403-L407 PolarHBondContact O-N 3.04Å; S405-L407 VanDerWaalsContact C-N 3.3Å; S405-L407 PolarHBondContact O-N 3.42Å; L407-H409 VanDerWaalsContact C-N 3.35Å; L407-K411 WeakPolarHBondContact O-CB 3.34Å; L407-K411 PolarHBondContact O-N 3.23Å |
| 408 | L | 84.8 | Confident | 85.6 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.1 | -67.7 | 170.5 | 0 | 0 | 0 | 111.4 | P374 A377 I381 D404 S405 D406 K411 H412 | P374-L408 HydrophobicContact CB-CD2 4.46Å; A377-L408 HydrophobicContact CB-CD1 4.32Å; I381-L408 HydrophobicContact CD1-CD1 4.35Å; D404-L408 PolarHBondContact O-N 3.37Å; S405-L408 WeakPolarHBondContact O-CB 3.02Å; S405-L408 PolarHBondContact O-N 3.06Å; S405-L408 VanDerWaalsContact O-N 3.14Å; D406-L408 VanDerWaalsContact C-N 3.25Å; D406-L408 PolarHBondContact O-N 2.88Å; L408-K411 PolarHBondContact O-N 3.47Å; L408-H412 WeakPolarHBondContact O-CB 3.44Å; L408-H412 PolarHBondContact O-CD2 3.37Å; L408-H412 VanDerWaalsContact O-CD2 3.28Å; L408-H412 PolarHBondContact O-N 2.84Å |
| 409 | H | 86.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -49.2 | -179.7 | -53.2 | 151.9 | 0 | 0 | 0 | 112.1 | S378 S405 D406 L407 H412 S413 L414 L417 I418 | S378-H409 PolarHBondContact OG-NE2 3.35Å; S405-H409 PolarHBondContact O-CD2 3.34Å; S405-H409 VanDerWaalsContact O-CD2 3.22Å; S405-H409 PolarHBondContact O-CE1 3.45Å; S405-H409 VanDerWaalsContact O-CG 3.28Å; S405-H409 PolarHBondContact O-N 3.18Å; S405-H409 VanDerWaalsContact O-N 3.1Å; S405-H409 PolarHBondContact O-ND1 3.2Å; S405-H409 PolarHBondContact O-NE2 3.22Å; S405-H409 PolarHBondContact OG-CE1 3.47Å; S405-H409 PolarHBondContact OG-NE2 3.48Å; D406-H409 WeakPolarHBondContact CA-ND1 3.22Å; D406-H409 WeakPolarHBondContact O-CB 3.39Å; D406-H409 PolarHBondContact O-N 3.15Å; D406-H409 IonicContact OD1-ND1 2.67Å; L407-H409 VanDerWaalsContact C-N 3.35Å; H409-H412 PolarHBondContact O-N 3.42Å; H409-S413 WeakPolarHBondContact O-CA 3.44Å; H409-S413 PolarHBondContact O-N 3.48Å; H409-L414 PolarHBondContact O-N 3.32Å; H409-L417 VanDerWaalsContact CD2-CB 3.43Å; H409-L417 WeakPolarHBondContact CD2-CB 3.38Å; H409-L417 PolarHBondContact CE1-O 3.28Å; H409-L417 VanDerWaalsContact CE1-O 3.29Å; H409-L417 WeakPolarHBondContact NE2-CB 3.49Å; H409-I418 HydrophobicContact CB-CD1 4.31Å; H409-I418 HydrophobicContact CB-CG1 3.53Å |
| 410 | W | 82.6 | Confident | 85.3 | Confident | 141 Ų | 141 | 53.5 Ų | 53.5 | 53% | 0.534 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68 | -40.8 | -179.2 | -60.5 | 116.1 | 0 | 0 | 0 | 111.9 | D406 H412 I418 M448 L451 | D406-W410 PolarHBondContact O-N 3.29Å; W410-H412 VanDerWaalsContact C-N 3.29Å; W410-H412 PolarHBondContact O-N 2.76Å; W410-I418 HydrophobicContact CD2-CD1 4.18Å; W410-I418 HydrophobicContact CE3-CD1 3.74Å; W410-I418 HydrophobicContact CH2-CD1 3.75Å; W410-I418 HydrophobicContact CH2-CG1 4.47Å; W410-I418 HydrophobicContact CH2-CG2 3.87Å; W410-I418 HydrophobicContact CZ2-CD1 4.16Å; W410-I418 HydrophobicContact CZ2-CG1 4.47Å; W410-I418 HydrophobicContact CZ2-CG2 3.78Å; W410-I418 HydrophobicContact CZ3-CD1 3.52Å; W410-M448 HydrophobicContact CH2-CE 3.85Å; W410-L451 HydrophobicContact CZ3-CD1 4.25Å |
| 411 | K | 85 | Confident | 85.4 | Confident | 158 Ų | 158 | 50 Ų | 50 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.7 | -34.9 | 178.7 | -175.4 | 178.3 | 179.1 | -176.7 | 0 | 112.7 | L407 L408 | L407-K411 WeakPolarHBondContact O-CB 3.34Å; L407-K411 PolarHBondContact O-N 3.23Å; L408-K411 PolarHBondContact O-N 3.47Å |
| 412 | H | 81.4 | Confident | 85.5 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 39% | 0.394 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -107 | 7.4 | -175.6 | -66.2 | -76.7 | 0 | 0 | 0 | 113.8 | P374 L408 H409 W410 L414 | P374-H412 HydrophobicContact CG-CB 4.41Å; L408-H412 WeakPolarHBondContact O-CB 3.44Å; L408-H412 PolarHBondContact O-CD2 3.37Å; L408-H412 VanDerWaalsContact O-CD2 3.28Å; L408-H412 PolarHBondContact O-N 2.84Å; H409-H412 PolarHBondContact O-N 3.42Å; W410-H412 VanDerWaalsContact C-N 3.29Å; W410-H412 PolarHBondContact O-N 2.76Å; H412-L414 VanDerWaalsContact C-N 3.29Å; H412-L414 HydrophobicContact CB-CD1 4.03Å; H412-L414 HydrophobicContact CB-CD2 4.28Å; H412-L414 HydrophobicContact CB-CG 3.81Å; H412-L414 PolarHBondContact O-N 3.23Å |
| 413 | S | 81 | Confident | 85.6 | Confident | 102 Ų | 102 | 49.4 Ų | 49.4 | 71% | 0.713 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 42.3 | -179 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | H409 S415 | H409-S413 WeakPolarHBondContact O-CA 3.44Å; H409-S413 PolarHBondContact O-N 3.48Å; S413-S415 VanDerWaalsContact C-N 3.35Å; S413-S415 PolarHBondContact O-N 3.43Å; S413-S415 VanDerWaalsContact O-N 3.11Å |
| 414 | L | 80.8 | Confident | 85.8 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | trans | -86.6 | 71 | -177.8 | -56.9 | 175.6 | 0 | 0 | 0 | 110.9 | P374 Y375 H409 H412 E416 L417 I418 | P374-L414 HydrophobicContact CB-CD1 4.42Å; Y375-L414 HydrophobicContact CD2-CD2 4.5Å; H409-L414 PolarHBondContact O-N 3.32Å; H412-L414 VanDerWaalsContact C-N 3.29Å; H412-L414 HydrophobicContact CB-CD1 4.03Å; H412-L414 HydrophobicContact CB-CD2 4.28Å; H412-L414 HydrophobicContact CB-CG 3.81Å; H412-L414 PolarHBondContact O-N 3.23Å; L414-E416 PolarHBondContact O-N 3Å; L414-L417 HydrophobicContact CB-CB 4.21Å; L414-L417 HydrophobicContact CB-CD1 4.06Å; L414-L417 HydrophobicContact CB-CG 4.15Å; L414-L417 HydrophobicContact CD1-CD1 3.68Å; L414-L417 HydrophobicContact CG-CD1 4.44Å; L414-L417 PolarHBondContact O-N 2.76Å; L414-I418 PolarHBondContact O-N 3.38Å | ||
| 415 | S | 79.4 | Confident | 86.3 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -44.5 | -53.7 | -175.4 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | S413 L417 I418 D419 E452 | S413-S415 VanDerWaalsContact C-N 3.35Å; S413-S415 PolarHBondContact O-N 3.43Å; S413-S415 VanDerWaalsContact O-N 3.11Å; S415-L417 VanDerWaalsContact C-N 3.29Å; S415-L417 PolarHBondContact O-N 3.14Å; S415-I418 VanDerWaalsContact O-CB 3.3Å; S415-I418 WeakPolarHBondContact O-CB 3.47Å; S415-I418 PolarHBondContact O-N 3.46Å; S415-I418 VanDerWaalsContact O-N 3.09Å; S415-D419 PolarHBondContact O-N 3.15Å; S415-E452 PolarHBondContact OG-OE1 3Å |
| 416 | E | 78.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55 | -41.7 | -179.9 | -179.4 | -169 | 174.8 | 0 | 0 | 113 | S7 K224 L414 I418 D419 I420 | S7-E416 WeakPolarHBondContact CB-OE1 3.45Å; S7-E416 PolarHBondContact OG-OE1 3.03Å; K224-E416 WeakPolarHBondContact CE-OE2 3.39Å; K224-E416 IonicContact NZ-OE1 3.62Å; K224-E416 IonicContact NZ-OE2 2.82Å; K224-E416 PolarHBondContact NZ-OE2 3.31Å; L414-E416 PolarHBondContact O-N 3Å; E416-I418 VanDerWaalsContact C-N 3.26Å; E416-I418 PolarHBondContact O-N 3.42Å; E416-D419 PolarHBondContact O-N 3.2Å; E416-I420 HydrophobicContact CG-CD1 4.12Å; E416-I420 WeakPolarHBondContact O-CG1 3.3Å; E416-I420 PolarHBondContact O-N 3.23Å; E416-I420 VanDerWaalsContact O-N 3.17Å |
| 417 | L | 85.3 | Confident | 87 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74 | -22.6 | -176.3 | -58.6 | -173.2 | 0 | 0 | 0 | 112.3 | Y375 S378 L379 H409 L414 S415 I420 S421 | Y375-L417 HydrophobicContact CD2-CD1 3.58Å; Y375-L417 HydrophobicContact CD2-CD2 4.18Å; Y375-L417 HydrophobicContact CD2-CG 4Å; Y375-L417 HydrophobicContact CE2-CD1 4.01Å; Y375-L417 HydrophobicContact CE2-CD2 3.73Å; Y375-L417 HydrophobicContact CE2-CG 3.94Å; Y375-L417 HydrophobicContact CG-CD1 4.18Å; S378-L417 WeakPolarHBondContact OG-CD1 3.06Å; L379-L417 HydrophobicContact CD2-CD2 3.59Å; L379-L417 HydrophobicContact CG-CD2 4.09Å; H409-L417 VanDerWaalsContact CD2-CB 3.43Å; H409-L417 WeakPolarHBondContact CD2-CB 3.38Å; H409-L417 PolarHBondContact CE1-O 3.28Å; H409-L417 VanDerWaalsContact CE1-O 3.29Å; H409-L417 WeakPolarHBondContact NE2-CB 3.49Å; L414-L417 HydrophobicContact CB-CB 4.21Å; L414-L417 HydrophobicContact CB-CD1 4.06Å; L414-L417 HydrophobicContact CB-CG 4.15Å; L414-L417 HydrophobicContact CD1-CD1 3.68Å; L414-L417 HydrophobicContact CG-CD1 4.44Å; L414-L417 PolarHBondContact O-N 2.76Å; S415-L417 VanDerWaalsContact C-N 3.29Å; S415-L417 PolarHBondContact O-N 3.14Å; L417-I420 HydrophobicContact CD2-CD1 3.87Å; L417-S421 VanDerWaalsContact O-CB 3.3Å; L417-S421 WeakPolarHBondContact O-CB 3.36Å; L417-S421 PolarHBondContact O-N 3.33Å |
| 418 | I | 87.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -48.3 | 172.5 | -58 | 169.2 | 0 | 0 | 0 | 108.8 | H409 W410 L414 S415 E416 I420 S421 I422 M448 L451 | H409-I418 HydrophobicContact CB-CD1 4.31Å; H409-I418 HydrophobicContact CB-CG1 3.53Å; W410-I418 HydrophobicContact CD2-CD1 4.18Å; W410-I418 HydrophobicContact CE3-CD1 3.74Å; W410-I418 HydrophobicContact CH2-CD1 3.75Å; W410-I418 HydrophobicContact CH2-CG1 4.47Å; W410-I418 HydrophobicContact CH2-CG2 3.87Å; W410-I418 HydrophobicContact CZ2-CD1 4.16Å; W410-I418 HydrophobicContact CZ2-CG1 4.47Å; W410-I418 HydrophobicContact CZ2-CG2 3.78Å; W410-I418 HydrophobicContact CZ3-CD1 3.52Å; L414-I418 PolarHBondContact O-N 3.38Å; S415-I418 VanDerWaalsContact O-CB 3.3Å; S415-I418 WeakPolarHBondContact O-CB 3.47Å; S415-I418 PolarHBondContact O-N 3.46Å; S415-I418 VanDerWaalsContact O-N 3.09Å; E416-I418 VanDerWaalsContact C-N 3.26Å; E416-I418 PolarHBondContact O-N 3.42Å; I418-I420 VanDerWaalsContact C-N 3.34Å; I418-I420 PolarHBondContact O-N 3.38Å; I418-S421 WeakPolarHBondContact O-CB 3.32Å; I418-S421 PolarHBondContact O-N 2.89Å; I418-S421 VanDerWaalsContact O-N 3.15Å; I418-I422 HydrophobicContact CG2-CD1 3.78Å; I418-I422 HydrophobicContact CG2-CG1 4.5Å; I418-I422 VanDerWaalsContact O-CG1 3.32Å; I418-I422 WeakPolarHBondContact O-CG1 3.38Å; I418-I422 PolarHBondContact O-N 3.11Å; I418-M448 HydrophobicContact CG2-CE 3.85Å; I418-L451 HydrophobicContact CD1-CD1 4.15Å |
| 419 | D | 87.3 | Confident | 87.8 | Confident | 39 Ų | 39 | 34 Ų | 34 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 179.2 | -64.5 | -7.6 | 0 | 0 | 0 | 111.4 | S415 E416 S421 I422 A423 L445 | S415-D419 PolarHBondContact O-N 3.15Å; E416-D419 PolarHBondContact O-N 3.2Å; D419-S421 VanDerWaalsContact C-N 3.34Å; D419-S421 PolarHBondContact O-N 3.43Å; D419-I422 PolarHBondContact O-N 2.96Å; D419-A423 WeakPolarHBondContact O-CB 3.34Å; D419-A423 PolarHBondContact O-N 3.28Å; D419-L445 HydrophobicContact CB-CD1 3.9Å; D419-L445 WeakPolarHBondContact OD1-CD1 3.48Å |
| 420 | I | 88.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.7 | -63.6 | 167.5 | 0 | 0 | 0 | 110.5 | S7 E416 L417 I418 I422 A423 Q424 S465 | S7-I420 WeakPolarHBondContact OG-CD1 3.47Å; E416-I420 HydrophobicContact CG-CD1 4.12Å; E416-I420 WeakPolarHBondContact O-CG1 3.3Å; E416-I420 PolarHBondContact O-N 3.23Å; E416-I420 VanDerWaalsContact O-N 3.17Å; L417-I420 HydrophobicContact CD2-CD1 3.87Å; I418-I420 VanDerWaalsContact C-N 3.34Å; I418-I420 PolarHBondContact O-N 3.38Å; I420-I422 VanDerWaalsContact C-N 3.33Å; I420-I422 PolarHBondContact O-N 2.9Å; I420-A423 PolarHBondContact O-N 3Å; I420-Q424 WeakPolarHBondContact O-CB 3.24Å; I420-Q424 PolarHBondContact O-N 3.36Å; I420-S465 VanDerWaalsContact CA-OG 3.31Å; I420-S465 WeakPolarHBondContact CA-OG 3.36Å; I420-S465 WeakPolarHBondContact CG1-OG 3.47Å; I420-S465 PolarHBondContact N-OG 2.97Å |
| 421 | S | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 180 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | Q382 D406 L417 I418 D419 Q424 K425 | Q382-S421 PolarHBondContact NE2-OG 3.03Å; D406-S421 WeakPolarHBondContact OD1-CB 3.44Å; D406-S421 PolarHBondContact OD1-OG 3.27Å; L417-S421 VanDerWaalsContact O-CB 3.3Å; L417-S421 WeakPolarHBondContact O-CB 3.36Å; L417-S421 PolarHBondContact O-N 3.33Å; I418-S421 WeakPolarHBondContact O-CB 3.32Å; I418-S421 PolarHBondContact O-N 2.89Å; I418-S421 VanDerWaalsContact O-N 3.15Å; D419-S421 VanDerWaalsContact C-N 3.34Å; D419-S421 PolarHBondContact O-N 3.43Å; S421-Q424 PolarHBondContact O-N 3.26Å; S421-K425 VanDerWaalsContact O-CG 3.3Å; S421-K425 WeakPolarHBondContact O-CG 3.2Å; S421-K425 PolarHBondContact O-N 3.47Å |
| 422 | I | 91.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.2 | -42.9 | -179.4 | -59.7 | 163.9 | 0 | 0 | 0 | 111.4 | I418 D419 I420 Q424 K425 T426 Q441 M444 L445 M448 | I418-I422 HydrophobicContact CG2-CD1 3.78Å; I418-I422 HydrophobicContact CG2-CG1 4.5Å; I418-I422 VanDerWaalsContact O-CG1 3.32Å; I418-I422 WeakPolarHBondContact O-CG1 3.38Å; I418-I422 PolarHBondContact O-N 3.11Å; D419-I422 PolarHBondContact O-N 2.96Å; I420-I422 VanDerWaalsContact C-N 3.33Å; I420-I422 PolarHBondContact O-N 2.9Å; I422-Q424 PolarHBondContact O-N 3.04Å; I422-K425 PolarHBondContact O-N 3.39Å; I422-T426 PolarHBondContact O-N 3.44Å; I422-T426 PolarHBondContact O-OG1 3.28Å; I422-Q441 HydrophobicContact CG2-CB 4.37Å; I422-Q441 WeakPolarHBondContact CG2-O 3.05Å; I422-M444 HydrophobicContact CB-CE 4.31Å; I422-M444 HydrophobicContact CD1-CE 3.71Å; I422-M444 HydrophobicContact CG1-CE 3.63Å; I422-M444 HydrophobicContact CG2-CE 3.68Å; I422-L445 HydrophobicContact CB-CB 4.38Å; I422-L445 HydrophobicContact CB-CD1 4.43Å; I422-L445 HydrophobicContact CD1-CD1 4.18Å; I422-L445 HydrophobicContact CG2-CB 3.76Å; I422-M448 HydrophobicContact CD1-CE 4.3Å; I422-M448 HydrophobicContact CD1-SD 3.4Å; I422-M448 WeakPolarHBondContact CD1-SD 3.4Å |
| 423 | A | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -38 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A2 D419 I420 T426 A427 L445 S465 | A2-A423 HydrophobicContact CB-CB 4.47Å; D419-A423 WeakPolarHBondContact O-CB 3.34Å; D419-A423 PolarHBondContact O-N 3.28Å; I420-A423 PolarHBondContact O-N 3Å; A423-T426 WeakPolarHBondContact O-CB 3.42Å; A423-T426 PolarHBondContact O-N 2.96Å; A423-A427 PolarHBondContact O-N 3.3Å; A423-A427 VanDerWaalsContact O-N 3.13Å; A423-L445 HydrophobicContact CB-CD2 4.38Å; A423-S465 WeakPolarHBondContact CB-O 3.32Å |
| 424 | Q | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.9 | -173.5 | 63 | 5.1 | 0 | 0 | 112 | M1 I420 S421 I422 T426 A427 I428 | M1-Q424 VanDerWaalsContact CB-OE1 3.29Å; M1-Q424 PolarHBondContact SD-NE2 2.96Å; I420-Q424 WeakPolarHBondContact O-CB 3.24Å; I420-Q424 PolarHBondContact O-N 3.36Å; S421-Q424 PolarHBondContact O-N 3.26Å; I422-Q424 PolarHBondContact O-N 3.04Å; Q424-T426 VanDerWaalsContact C-N 3.33Å; Q424-T426 PolarHBondContact O-N 2.97Å; Q424-A427 PolarHBondContact O-N 2.84Å; Q424-I428 HydrophobicContact CG-CD1 3.95Å; Q424-I428 VanDerWaalsContact O-CG1 3.29Å; Q424-I428 WeakPolarHBondContact O-CG1 3.08Å; Q424-I428 PolarHBondContact O-N 3.07Å |
| 425 | K | 93.9 | Very high | 90.9 | Very high | 25 Ų | 25 | 19.7 Ų | 19.7 | 11% | 0.109 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.1 | -74.2 | 168.2 | -176.6 | 162.1 | 0 | 112.4 | M399 L402 D406 S421 I422 A427 I428 W429 Q441 | M399-K425 HydrophobicContact SD-CG 4.36Å; L402-K425 HydrophobicContact CD1-CG 3.68Å; D406-K425 IonicContact OD1-NZ 2.82Å; D406-K425 PolarHBondContact OD1-NZ 2.9Å; D406-K425 WeakPolarHBondContact OD2-CE 3.42Å; D406-K425 IonicContact OD2-NZ 3.89Å; D406-K425 PolarHBondContact OD2-NZ 3.45Å; S421-K425 VanDerWaalsContact O-CG 3.3Å; S421-K425 WeakPolarHBondContact O-CG 3.2Å; S421-K425 PolarHBondContact O-N 3.47Å; I422-K425 PolarHBondContact O-N 3.39Å; K425-A427 VanDerWaalsContact C-N 3.33Å; K425-A427 PolarHBondContact O-N 3.39Å; K425-I428 PolarHBondContact O-N 3.35Å; K425-W429 PolarHBondContact O-N 3.39Å; K425-Q441 HydrophobicContact CB-CG 4.1Å |
| 426 | T | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -53.5 | -52.3 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | I422 A423 Q424 W429 R430 A438 Q441 A442 H472 | I422-T426 PolarHBondContact O-N 3.44Å; I422-T426 PolarHBondContact O-OG1 3.28Å; A423-T426 WeakPolarHBondContact O-CB 3.42Å; A423-T426 PolarHBondContact O-N 2.96Å; Q424-T426 VanDerWaalsContact C-N 3.33Å; Q424-T426 PolarHBondContact O-N 2.97Å; T426-W429 PolarHBondContact O-N 2.95Å; T426-R430 PolarHBondContact O-N 3.47Å; T426-R430 VanDerWaalsContact O-N 3.11Å; T426-A438 HydrophobicContact CG2-CB 4.43Å; T426-A438 WeakPolarHBondContact O-CB 3.42Å; T426-Q441 WeakPolarHBondContact OG1-CB 3.35Å; T426-A442 HydrophobicContact CG2-CB 3.92Å; T426-A442 PolarHBondContact OG1-N 3.38Å; T426-H472 HydrophobicContact CG2-CB 3.8Å |
| 427 | A | 94.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 7% | 0.066 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 A423 Q424 K425 R430 L431 H472 | M1-A427 HydrophobicContact CB-CB 4.25Å; M1-A427 HydrophobicContact CE-CB 4.37Å; M1-A427 HydrophobicContact CG-CB 3.42Å; M1-A427 VanDerWaalsContact CG-CB 3.42Å; A423-A427 PolarHBondContact O-N 3.3Å; A423-A427 VanDerWaalsContact O-N 3.13Å; Q424-A427 PolarHBondContact O-N 2.84Å; K425-A427 VanDerWaalsContact C-N 3.33Å; K425-A427 PolarHBondContact O-N 3.39Å; A427-R430 PolarHBondContact O-N 3.18Å; A427-L431 WeakPolarHBondContact O-CB 3.4Å; A427-L431 PolarHBondContact O-N 3.49Å; A427-H472 WeakPolarHBondContact CB-NE2 3.3Å |
| 428 | I | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -47.8 | 177.4 | -65.4 | 164.7 | 0 | 0 | 0 | 110.5 | M1 V385 L398 M399 L402 Q424 K425 R430 L431 Y432 | M1-I428 HydrophobicContact CE-CB 4.39Å; M1-I428 HydrophobicContact CE-CG1 3.44Å; M1-I428 VanDerWaalsContact CE-CG1 3.44Å; V385-I428 HydrophobicContact CG1-CD1 3.42Å; V385-I428 VanDerWaalsContact CG1-CD1 3.42Å; L398-I428 HydrophobicContact CD1-CG2 4.23Å; M399-I428 HydrophobicContact CE-CB 4.04Å; M399-I428 HydrophobicContact CE-CG2 3.61Å; L402-I428 HydrophobicContact CD1-CD1 3.7Å; Q424-I428 HydrophobicContact CG-CD1 3.95Å; Q424-I428 VanDerWaalsContact O-CG1 3.29Å; Q424-I428 WeakPolarHBondContact O-CG1 3.08Å; Q424-I428 PolarHBondContact O-N 3.07Å; K425-I428 PolarHBondContact O-N 3.35Å; I428-R430 PolarHBondContact O-N 3.34Å; I428-L431 WeakPolarHBondContact O-CB 3.45Å; I428-L431 PolarHBondContact O-N 3.05Å; I428-L431 VanDerWaalsContact O-N 3.15Å; I428-Y432 HydrophobicContact CG2-CD2 3.89Å; I428-Y432 HydrophobicContact CG2-CE2 3.87Å; I428-Y432 VanDerWaalsContact O-CD2 3.23Å; I428-Y432 WeakPolarHBondContact O-CD2 3.45Å; I428-Y432 PolarHBondContact O-N 3.39Å; I428-Y432 VanDerWaalsContact O-N 3.1Å |
| 429 | W | 95 | Very high | 93.3 | Very high | 50 Ų | 50 | 25.7 Ų | 25.7 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.4 | -40.4 | 178.5 | -78 | 125 | 0 | 0 | 0 | 112.1 | M399 K425 T426 Y432 G433 R434 M437 A438 | M399-W429 HydrophobicContact CE-CD2 3.57Å; M399-W429 HydrophobicContact CE-CE3 4.13Å; M399-W429 HydrophobicContact CE-CG 3.94Å; M399-W429 HydrophobicContact CE-CH2 4.17Å; M399-W429 HydrophobicContact CE-CZ2 3.6Å; M399-W429 HydrophobicContact CE-CZ3 4.41Å; M399-W429 HydrophobicContact CG-CH2 4.19Å; M399-W429 HydrophobicContact CG-CZ2 3.86Å; M399-W429 HydrophobicContact SD-CZ2 3.82Å; K425-W429 PolarHBondContact O-N 3.39Å; T426-W429 PolarHBondContact O-N 2.95Å; W429-Y432 PolarHBondContact O-N 2.85Å; W429-G433 PolarHBondContact O-N 3.2Å; W429-R434 HydrophobicContact CB-CB 4.46Å; W429-R434 HydrophobicContact CE3-CB 3.83Å; W429-R434 HydrophobicContact CE3-CG 3.96Å; W429-R434 HydrophobicContact CZ3-CG 4.25Å; W429-R434 PolarHBondContact O-N 3.14Å; W429-M437 HydrophobicContact CB-CB 3.92Å; W429-M437 HydrophobicContact CD2-CB 3.65Å; W429-M437 HydrophobicContact CD2-CG 4.23Å; W429-M437 HydrophobicContact CE3-CB 4.16Å; W429-M437 HydrophobicContact CE3-CG 4.38Å; W429-M437 HydrophobicContact CG-CB 3.55Å; W429-M437 HydrophobicContact CZ2-CE 3.99Å; W429-A438 HydrophobicContact CB-CB 3.96Å |
| 430 | R | 94.5 | Very high | 93.7 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.4 | -173.5 | 168.8 | 172.9 | -135.1 | 11.5 | 112.5 | T426 A427 I428 Y432 G433 A438 H472 E475 E479 | T426-R430 PolarHBondContact O-N 3.47Å; T426-R430 VanDerWaalsContact O-N 3.11Å; A427-R430 PolarHBondContact O-N 3.18Å; I428-R430 PolarHBondContact O-N 3.34Å; R430-Y432 PolarHBondContact O-N 3.43Å; R430-G433 WeakPolarHBondContact O-CA 2.9Å; R430-G433 PolarHBondContact O-N 3.05Å; R430-A438 HydrophobicContact CB-CB 3.93Å; R430-H472 PolarHBondContact NH1-CE1 2.9Å; R430-H472 PolarHBondContact NH1-ND1 3.5Å; R430-E475 IonicContact CZ-OE2 2.96Å; R430-E475 IonicContact NH1-OE2 2.92Å; R430-E475 PolarHBondContact NH1-OE2 3.07Å; R430-E475 VanDerWaalsContact NH2-CB 3.32Å; R430-E475 IonicContact NH2-OE2 3.96Å; R430-E475 PolarHBondContact NH2-OE2 3.38Å; R430-E479 IonicContact CZ-OE1 2.88Å; R430-E479 IonicContact NE-OE1 2.93Å; R430-E479 IonicContact NH2-OE1 3.38Å; R430-E479 PolarHBondContact NH2-OE1 3Å |
| 431 | L | 93.7 | Very high | 94 | Very high | 23 Ų | 23 | 30 Ų | 30 | 12% | 0.12 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.9 | -38.6 | 177.2 | -179.6 | 66.4 | 0 | 0 | 0 | 112.4 | M1 A389 A427 I428 G433 E578 L616 | M1-L431 HydrophobicContact CE-CD2 4.21Å; A389-L431 HydrophobicContact CB-CD2 4.12Å; A427-L431 WeakPolarHBondContact O-CB 3.4Å; A427-L431 PolarHBondContact O-N 3.49Å; I428-L431 WeakPolarHBondContact O-CB 3.45Å; I428-L431 PolarHBondContact O-N 3.05Å; I428-L431 VanDerWaalsContact O-N 3.15Å; L431-G433 PolarHBondContact O-N 2.99Å; L431-E578 HydrophobicContact CD1-CG 4.2Å; L431-E578 VanDerWaalsContact CD1-OE1 3.24Å; L431-E578 WeakPolarHBondContact CD1-OE1 3.32Å; L431-E578 WeakPolarHBondContact CD1-OE2 3.09Å; L431-L616 HydrophobicContact CD1-CD2 3.49Å; L431-L616 VanDerWaalsContact CD1-CD2 3.49Å; L431-L616 HydrophobicContact CG-CD2 3.9Å |
| 432 | Y | 93.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 30 Ų | 30 | 7% | 0.071 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 7.8 | 178.3 | -75 | -105.9 | 0 | 0 | 0 | 113.2 | K393 A395 L398 I428 W429 R430 R615 Q617 | K393-Y432 WeakPolarHBondContact O-CE1 3.28Å; K393-Y432 VanDerWaalsContact O-CZ 3.3Å; K393-Y432 PolarHBondContact O-OH 3.4Å; A395-Y432 HydrophobicContact CB-CD1 3.88Å; A395-Y432 HydrophobicContact CB-CE1 4.02Å; A395-Y432 HydrophobicContact CB-CG 4.26Å; L398-Y432 HydrophobicContact CD1-CE2 3.99Å; L398-Y432 VanDerWaalsContact CD1-OH 3.24Å; L398-Y432 WeakPolarHBondContact CD1-OH 3.35Å; I428-Y432 HydrophobicContact CG2-CD2 3.89Å; I428-Y432 HydrophobicContact CG2-CE2 3.87Å; I428-Y432 VanDerWaalsContact O-CD2 3.23Å; I428-Y432 WeakPolarHBondContact O-CD2 3.45Å; I428-Y432 PolarHBondContact O-N 3.39Å; I428-Y432 VanDerWaalsContact O-N 3.1Å; W429-Y432 PolarHBondContact O-N 2.85Å; R430-Y432 PolarHBondContact O-N 3.43Å; Y432-R615 HydrophobicContact CD1-CB 3.98Å; Y432-R615 HydrophobicContact CE1-CB 3.75Å; Y432-Q617 VanDerWaalsContact O-CB 3.27Å; Y432-Q617 WeakPolarHBondContact O-CB 3.44Å |
| 433 | G | 92.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 36.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | W429 R430 L431 D654 | W429-G433 PolarHBondContact O-N 3.2Å; R430-G433 WeakPolarHBondContact O-CA 2.9Å; R430-G433 PolarHBondContact O-N 3.05Å; L431-G433 PolarHBondContact O-N 2.99Å; G433-D654 WeakPolarHBondContact O-CB 3.34Å; G433-D654 VanDerWaalsContact O-OD2 3.13Å |
| 434 | R | 94 | Very high | 94.1 | Very high | 97 Ų | 97 | 37.5 Ų | 37.5 | 37% | 0.366 | 18% | 0.18 | S | C | . | . | trans | -112 | 77.6 | 172.5 | -62.9 | -66 | 177.5 | -113.9 | -0.9 | 109.8 | W429 T436 M437 A438 D654 | W429-R434 HydrophobicContact CB-CB 4.46Å; W429-R434 HydrophobicContact CE3-CB 3.83Å; W429-R434 HydrophobicContact CE3-CG 3.96Å; W429-R434 HydrophobicContact CZ3-CG 4.25Å; W429-R434 PolarHBondContact O-N 3.14Å; R434-T436 VanDerWaalsContact C-N 3.34Å; R434-T436 PolarHBondContact O-N 2.87Å; R434-M437 HydrophobicContact CB-CB 4.14Å; R434-M437 HydrophobicContact CB-CG 4.21Å; R434-M437 PolarHBondContact O-N 2.87Å; R434-A438 PolarHBondContact O-N 2.79Å; R434-A438 VanDerWaalsContact O-N 3.07Å; R434-D654 IonicContact NH1-OD2 3.75Å; R434-D654 PolarHBondContact NH1-OD2 3.05Å | ||
| 435 | S | 94.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | -174.3 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | M437 A438 L439 D654 | S435-M437 PolarHBondContact O-N 3.23Å; S435-A438 PolarHBondContact O-N 3.04Å; S435-L439 WeakPolarHBondContact O-CB 3.3Å; S435-L439 PolarHBondContact O-N 2.82Å; S435-D654 PolarHBondContact N-OD1 3.15Å; S435-D654 WeakPolarHBondContact OG-CA 3.01Å; S435-D654 PolarHBondContact OG-OD1 3.09Å |
| 436 | T | 94 | Very high | 93.6 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 47% | 0.472 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.3 | -40.5 | -177.9 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | R434 L439 Q440 | R434-T436 VanDerWaalsContact C-N 3.34Å; R434-T436 PolarHBondContact O-N 2.87Å; T436-L439 PolarHBondContact O-N 3.37Å; T436-Q440 WeakPolarHBondContact O-CG 3.13Å; T436-Q440 PolarHBondContact O-N 3.01Å |
| 437 | M | 94.4 | Very high | 93.1 | Very high | 67 Ų | 67 | 43 Ų | 43 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.2 | -41 | 176.4 | -65.6 | -60.2 | -65.6 | 0 | 0 | 111.2 | W429 R434 S435 L439 Q440 Q441 | W429-M437 HydrophobicContact CB-CB 3.92Å; W429-M437 HydrophobicContact CD2-CB 3.65Å; W429-M437 HydrophobicContact CD2-CG 4.23Å; W429-M437 HydrophobicContact CE3-CB 4.16Å; W429-M437 HydrophobicContact CE3-CG 4.38Å; W429-M437 HydrophobicContact CG-CB 3.55Å; W429-M437 HydrophobicContact CZ2-CE 3.99Å; R434-M437 HydrophobicContact CB-CB 4.14Å; R434-M437 HydrophobicContact CB-CG 4.21Å; R434-M437 PolarHBondContact O-N 2.87Å; S435-M437 PolarHBondContact O-N 3.23Å; M437-L439 VanDerWaalsContact C-N 3.34Å; M437-Q440 PolarHBondContact O-N 3.04Å; M437-Q441 WeakPolarHBondContact O-CG 3.47Å; M437-Q441 PolarHBondContact O-N 2.85Å; M437-Q441 VanDerWaalsContact O-N 3.09Å |
| 438 | A | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T426 W429 R430 R434 S435 Q440 Q441 A442 L476 | T426-A438 HydrophobicContact CG2-CB 4.43Å; T426-A438 WeakPolarHBondContact O-CB 3.42Å; W429-A438 HydrophobicContact CB-CB 3.96Å; R430-A438 HydrophobicContact CB-CB 3.93Å; R434-A438 PolarHBondContact O-N 2.79Å; R434-A438 VanDerWaalsContact O-N 3.07Å; S435-A438 PolarHBondContact O-N 3.04Å; A438-Q440 PolarHBondContact O-N 2.71Å; A438-Q441 PolarHBondContact O-N 3.18Å; A438-A442 PolarHBondContact O-N 2.63Å; A438-L476 HydrophobicContact CB-CD1 3.92Å |
| 439 | L | 95.9 | Very high | 91 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 177.6 | -175.3 | 69.9 | 0 | 0 | 0 | 112 | S435 T436 M437 Q441 A442 Q443 L473 L476 | S435-L439 WeakPolarHBondContact O-CB 3.3Å; S435-L439 PolarHBondContact O-N 2.82Å; T436-L439 PolarHBondContact O-N 3.37Å; M437-L439 VanDerWaalsContact C-N 3.34Å; L439-Q441 PolarHBondContact O-N 3.32Å; L439-A442 PolarHBondContact O-N 2.72Å; L439-Q443 WeakPolarHBondContact O-CB 3.39Å; L439-Q443 VanDerWaalsContact O-CG 3.3Å; L439-Q443 WeakPolarHBondContact O-CG 3.34Å; L439-Q443 PolarHBondContact O-N 3.27Å; L439-L473 HydrophobicContact CD1-CD1 3.29Å; L439-L476 HydrophobicContact CB-CD1 4.4Å |
| 440 | Q | 95.5 | Very high | 89.4 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.8 | -73.4 | 177.8 | -7.5 | 0 | 0 | 112.4 | T436 M437 A438 M444 | T436-Q440 WeakPolarHBondContact O-CG 3.13Å; T436-Q440 PolarHBondContact O-N 3.01Å; M437-Q440 PolarHBondContact O-N 3.04Å; A438-Q440 PolarHBondContact O-N 2.71Å; Q440-M444 WeakPolarHBondContact O-CB 3.38Å; Q440-M444 PolarHBondContact O-N 3.46Å |
| 441 | Q | 94.3 | Very high | 87.5 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 177.2 | -66.8 | -63.1 | -46.3 | 0 | 0 | 111.7 | I422 K425 T426 M437 A438 L439 M444 L445 | I422-Q441 HydrophobicContact CG2-CB 4.37Å; I422-Q441 WeakPolarHBondContact CG2-O 3.05Å; K425-Q441 HydrophobicContact CB-CG 4.1Å; T426-Q441 WeakPolarHBondContact OG1-CB 3.35Å; M437-Q441 WeakPolarHBondContact O-CG 3.47Å; M437-Q441 PolarHBondContact O-N 2.85Å; M437-Q441 VanDerWaalsContact O-N 3.09Å; A438-Q441 PolarHBondContact O-N 3.18Å; L439-Q441 PolarHBondContact O-N 3.32Å; Q441-M444 PolarHBondContact O-N 3.2Å; Q441-M444 VanDerWaalsContact OE1-CE 3.32Å; Q441-L445 PolarHBondContact O-N 2.88Å; Q441-L445 VanDerWaalsContact O-N 3.16Å |
| 442 | A | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -50.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T426 A438 L439 M444 L445 L446 L473 | T426-A442 HydrophobicContact CG2-CB 3.92Å; T426-A442 PolarHBondContact OG1-N 3.38Å; A438-A442 PolarHBondContact O-N 2.63Å; L439-A442 PolarHBondContact O-N 2.72Å; A442-M444 VanDerWaalsContact C-N 3.3Å; A442-M444 PolarHBondContact O-N 2.99Å; A442-L445 PolarHBondContact O-N 2.93Å; A442-L446 VanDerWaalsContact O-CG 3.32Å; A442-L446 WeakPolarHBondContact O-CG 3.49Å; A442-L446 PolarHBondContact O-N 2.85Å; A442-L446 VanDerWaalsContact O-N 3.13Å; A442-L473 HydrophobicContact CB-CB 4.42Å |
| 443 | Q | 93.2 | Very high | 83.3 | Confident | 85 Ų | 85 | 59 Ų | 59 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 178.8 | -72.5 | 174.2 | -17.1 | 0 | 0 | 112.9 | L439 L446 S447 | L439-Q443 WeakPolarHBondContact O-CB 3.39Å; L439-Q443 VanDerWaalsContact O-CG 3.3Å; L439-Q443 WeakPolarHBondContact O-CG 3.34Å; L439-Q443 PolarHBondContact O-N 3.27Å; Q443-L446 CarbonylContact O-C 3.37Å; Q443-L446 PolarHBondContact O-N 3.44Å; Q443-S447 WeakPolarHBondContact O-CB 3.49Å; Q443-S447 PolarHBondContact O-N 3.15Å; Q443-S447 PolarHBondContact O-OG 2.98Å |
| 444 | M | 91.5 | Very high | 81.1 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 39% | 0.389 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 175.9 | -175.4 | 177.6 | 71.6 | 0 | 0 | 110.9 | I422 Q440 Q441 A442 L446 S447 M448 | I422-M444 HydrophobicContact CB-CE 4.31Å; I422-M444 HydrophobicContact CD1-CE 3.71Å; I422-M444 HydrophobicContact CG1-CE 3.63Å; I422-M444 HydrophobicContact CG2-CE 3.68Å; Q440-M444 WeakPolarHBondContact O-CB 3.38Å; Q440-M444 PolarHBondContact O-N 3.46Å; Q441-M444 PolarHBondContact O-N 3.2Å; Q441-M444 VanDerWaalsContact OE1-CE 3.32Å; A442-M444 VanDerWaalsContact C-N 3.3Å; A442-M444 PolarHBondContact O-N 2.99Å; M444-L446 VanDerWaalsContact C-N 3.28Å; M444-L446 PolarHBondContact O-N 3.37Å; M444-S447 PolarHBondContact O-N 2.79Å; M444-M448 HydrophobicContact CG-SD 4.46Å; M444-M448 VanDerWaalsContact O-CG 3.32Å; M444-M448 WeakPolarHBondContact O-CG 3.22Å; M444-M448 PolarHBondContact O-N 2.7Å |
| 445 | L | 88.5 | Confident | 78.8 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 176.7 | -175.4 | 59.4 | 0 | 0 | 0 | 111.6 | D419 I422 A423 Q441 A442 S447 M448 A469 | D419-L445 HydrophobicContact CB-CD1 3.9Å; D419-L445 WeakPolarHBondContact OD1-CD1 3.48Å; I422-L445 HydrophobicContact CB-CB 4.38Å; I422-L445 HydrophobicContact CB-CD1 4.43Å; I422-L445 HydrophobicContact CD1-CD1 4.18Å; I422-L445 HydrophobicContact CG2-CB 3.76Å; A423-L445 HydrophobicContact CB-CD2 4.38Å; Q441-L445 PolarHBondContact O-N 2.88Å; Q441-L445 VanDerWaalsContact O-N 3.16Å; A442-L445 PolarHBondContact O-N 2.93Å; L445-S447 PolarHBondContact O-N 2.87Å; L445-M448 PolarHBondContact O-N 3.15Å; L445-A469 HydrophobicContact CD2-CB 3.7Å |
| 446 | L | 85.7 | Confident | 76.3 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.4 | -13.6 | 178.2 | -58.8 | 178.8 | 0 | 0 | 0 | 114.1 | A442 Q443 M444 Q460 F466 L470 L473 | A442-L446 VanDerWaalsContact O-CG 3.32Å; A442-L446 WeakPolarHBondContact O-CG 3.49Å; A442-L446 PolarHBondContact O-N 2.85Å; A442-L446 VanDerWaalsContact O-N 3.13Å; Q443-L446 CarbonylContact O-C 3.37Å; Q443-L446 PolarHBondContact O-N 3.44Å; M444-L446 VanDerWaalsContact C-N 3.28Å; M444-L446 PolarHBondContact O-N 3.37Å; L446-Q460 PolarHBondContact O-NE2 3.48Å; L446-F466 HydrophobicContact CD2-CD2 3.82Å; L446-F466 HydrophobicContact CD2-CE2 3.22Å; L446-F466 HydrophobicContact CD2-CZ 3.84Å; L446-L470 HydrophobicContact CD1-CD2 3.74Å; L446-L470 HydrophobicContact CD2-CD2 3.6Å; L446-L470 HydrophobicContact CD2-CG 3.88Å; L446-L470 HydrophobicContact CG-CD2 4.32Å; L446-L473 HydrophobicContact CD1-CD2 3.47Å; L446-L473 VanDerWaalsContact CD1-CD2 3.47Å |
| 447 | S | 84.7 | Confident | 74 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -103.4 | -5.6 | 179.6 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | Q443 M444 L445 | Q443-S447 WeakPolarHBondContact O-CB 3.49Å; Q443-S447 PolarHBondContact O-N 3.15Å; Q443-S447 PolarHBondContact O-OG 2.98Å; M444-S447 PolarHBondContact O-N 2.79Å; L445-S447 PolarHBondContact O-N 2.87Å |
| 448 | M | 79.5 | Confident | 72 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 23% | 0.232 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 129.8 | 178.3 | -75 | 176.8 | 69.4 | 0 | 0 | 110.2 | W410 I418 I422 M444 L445 | W410-M448 HydrophobicContact CH2-CE 3.85Å; I418-M448 HydrophobicContact CG2-CE 3.85Å; I422-M448 HydrophobicContact CD1-CE 4.3Å; I422-M448 HydrophobicContact CD1-SD 3.4Å; I422-M448 WeakPolarHBondContact CD1-SD 3.4Å; M444-M448 HydrophobicContact CG-SD 4.46Å; M444-M448 VanDerWaalsContact O-CG 3.32Å; M444-M448 WeakPolarHBondContact O-CG 3.22Å; M444-M448 PolarHBondContact O-N 2.7Å; L445-M448 PolarHBondContact O-N 3.15Å |
| 449 | N | 67 | Low | 70.1 | Confident | 126 Ų | 126 | 70.8 Ų | 70.8 | 67% | 0.674 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 133.7 | 166 | -70.1 | -28.3 | 0 | 0 | 0 | 108.4 | L451 | N449-L451 PolarHBondContact O-N 2.63Š|
| 450 | S | 60.8 | Low | 68.9 | Low | 43 Ų | 43 | 70.4 Ų | 70.4 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 132.1 | 171.5 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | E452 Q459 | S450-E452 PolarHBondContact O-N 2.84Å; S450-E452 PolarHBondContact OG-N 2.64Å; S450-Q459 PolarHBondContact N-O 3.24Å |
| 451 | L | 54.6 | Low | 68 | Low | 118 Ų | 118 | 66.3 Ų | 66.3 | 62% | 0.618 | 40% | 0.401 | S | S | * | . | trans | -74.9 | -9.3 | 173.7 | -79.2 | 142.9 | 0 | 0 | 0 | 112.3 | W410 I418 N449 A453 | W410-L451 HydrophobicContact CZ3-CD1 4.25Å; I418-L451 HydrophobicContact CD1-CD1 4.15Å; N449-L451 PolarHBondContact O-N 2.63Å; L451-A453 PolarHBondContact O-N 2.96Å | ||
| 452 | E | 53.8 | Low | 67.6 | Low | 60 Ų | 60 | 65.3 Ų | 65.3 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | trans | -80.7 | 105.6 | -176.1 | -70.4 | 178.1 | 169.5 | 0 | 0 | 111.5 | N225 S415 S450 V454 N461 | N225-E452 PolarHBondContact ND2-OE1 2.88Å; N225-E452 VanDerWaalsContact ND2-OE1 3.15Å; N225-E452 PolarHBondContact ND2-OE2 2.86Å; S415-E452 PolarHBondContact OG-OE1 3Å; S450-E452 PolarHBondContact O-N 2.84Å; S450-E452 PolarHBondContact OG-N 2.64Å; E452-V454 PolarHBondContact O-N 2.96Å; E452-N461 PolarHBondContact OE2-ND2 2.99Å | ||
| 453 | A | 44.4 | Very low | 67.3 | Low | 94 Ų | 94 | 66.1 Ų | 66.1 | 78% | 0.777 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -11.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | L451 N455 | L451-A453 PolarHBondContact O-N 2.96Å; A453-N455 PolarHBondContact O-N 3.12Å |
| 454 | V | 46.5 | Very low | 67.1 | Low | 104 Ų | 104 | 63.3 Ų | 63.3 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.9 | -168.1 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | E452 | E452-V454 PolarHBondContact O-N 2.96Š|
| 455 | N | 45.8 | Very low | 67 | Low | 47 Ų | 47 | 59.8 Ų | 59.8 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -121.8 | 92.4 | 176.2 | -62.1 | -32.9 | 0 | 0 | 0 | 109.5 | A453 G457 V458 | A453-N455 PolarHBondContact O-N 3.12Å; N455-G457 PolarHBondContact O-N 3.42Å; N455-V458 HydrophobicContact CB-CB 3.92Å; N455-V458 HydrophobicContact CB-CG2 3.57Å; N455-V458 PolarHBondContact O-N 2.86Å |
| 456 | A | 43 | Very low | 67.1 | Low | 115 Ų | 115 | 59.8 Ų | 59.8 | 95% | 0.95 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 9.9 | -175 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 457 | G | 46 | Very low | 67.5 | Low | 71 Ų | 71 | 58 Ų | 58 | 73% | 0.732 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.3 | 0.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N455 Q459 | N455-G457 PolarHBondContact O-N 3.42Å; G457-Q459 PolarHBondContact O-N 3.33Å |
| 458 | V | 50.5 | Low | 67.9 | Low | 32 Ų | 32 | 54 Ų | 54 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | trans | -90.3 | 100.5 | -177.6 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | K229 N455 Q460 | K229-V458 HydrophobicContact CD-CG2 4.44Å; K229-V458 VanDerWaalsContact NZ-CG1 3.34Å; K229-V458 VanDerWaalsContact NZ-CG2 3.35Å; N455-V458 HydrophobicContact CB-CB 3.92Å; N455-V458 HydrophobicContact CB-CG2 3.57Å; N455-V458 PolarHBondContact O-N 2.86Å; V458-Q460 VanDerWaalsContact C-N 3.29Å; V458-Q460 WeakPolarHBondContact CG1-O 3.43Å; V458-Q460 PolarHBondContact O-N 3.19Å | ||
| 459 | Q | 57.2 | Low | 68.7 | Low | 145 Ų | 145 | 51.7 Ų | 51.7 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -65.3 | -33.4 | 175.8 | -70.9 | 178.5 | -15.2 | 0 | 0 | 112.1 | S450 G457 | S450-Q459 PolarHBondContact N-O 3.24Å; G457-Q459 PolarHBondContact O-N 3.33Å |
| 460 | Q | 69.8 | Low | 70 | Confident | 38 Ų | 38 | 46 Ų | 46 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | trans | -147.9 | 139 | -173.2 | -68.9 | 178 | -19.1 | 0 | 0 | 113 | L446 V458 F466 | L446-Q460 PolarHBondContact O-NE2 3.48Å; V458-Q460 VanDerWaalsContact C-N 3.29Å; V458-Q460 WeakPolarHBondContact CG1-O 3.43Å; V458-Q460 PolarHBondContact O-N 3.19Å; Q460-F466 HydrophobicContact CB-CE2 4.36Å; Q460-F466 HydrophobicContact CB-CZ 4.38Å; Q460-F466 HydrophobicContact CG-CE2 4.32Å | ||
| 461 | N | 77.4 | Confident | 71.8 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | trans | -93.4 | 142.8 | 177.1 | -72.9 | -16.4 | 0 | 0 | 0 | 110.5 | N225 E452 T463 | N225-N461 HydrophobicContact CB-CB 4.27Å; N225-N461 CarbonylContact O-C 3.36Å; N225-N461 WeakPolarHBondContact O-CB 3.5Å; E452-N461 PolarHBondContact OE2-ND2 2.99Å; N461-T463 VanDerWaalsContact C-N 3.26Å; N461-T463 HydrophobicContact CB-CG2 3.97Å; N461-T463 PolarHBondContact O-N 2.98Å | ||
| 462 | N | 85.8 | Confident | 73.8 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | trans | -84.9 | 64 | -179.6 | -68.3 | -25.7 | 0 | 0 | 0 | 111.1 | N225 D226 T228 R496 F497 | N225-N462 CarbonylContact O-C 2.85Å; N225-N462 PolarHBondContact O-N 3.45Å; D226-N462 HydrophobicContact CB-CB 4.43Å; D226-N462 PolarHBondContact OD1-ND2 3.24Å; D226-N462 PolarHBondContact OD2-ND2 2.96Å; T228-N462 PolarHBondContact OG1-ND2 3.48Å; N462-R496 PolarHBondContact ND2-O 3.17Å; N462-R496 WeakPolarHBondContact OD1-CD 3.39Å; N462-F497 HydrophobicContact CB-CD1 4.46Å; N462-F497 HydrophobicContact CB-CE1 3.77Å; N462-F497 HydrophobicContact CB-CZ 3.85Å; N462-F497 WeakPolarHBondContact O-CE1 3.27Å | ||
| 463 | T | 86.6 | Confident | 75.9 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | trans | -88.4 | 163.4 | -179.3 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | N461 S465 F466 A467 | N461-T463 VanDerWaalsContact C-N 3.26Å; N461-T463 HydrophobicContact CB-CG2 3.97Å; N461-T463 PolarHBondContact O-N 2.98Å; T463-S465 VanDerWaalsContact C-N 3.3Å; T463-S465 PolarHBondContact O-N 3.28Å; T463-F466 WeakPolarHBondContact O-CB 3.5Å; T463-F466 PolarHBondContact O-N 3.04Å; T463-F466 PolarHBondContact OG1-N 3.21Å; T463-A467 PolarHBondContact O-N 3.43Å | ||
| 464 | E | 89.2 | Confident | 78.5 | Confident | 26 Ų | 26 | 33.3 Ų | 33.3 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.8 | -47 | 171.7 | -165.1 | -158.6 | 175.2 | 0 | 0 | 111.5 | S3 E6 F466 A467 V468 H503 L506 | S3-E464 WeakPolarHBondContact CB-OE1 3.28Å; S3-E464 VanDerWaalsContact N-CD 3.29Å; S3-E464 PolarHBondContact N-OE1 3.15Å; S3-E464 PolarHBondContact N-OE2 3.46Å; E6-E464 WeakPolarHBondContact CG-OE2 3.43Å; E6-E464 VanDerWaalsContact OE2-CD 3.25Å; E464-F466 VanDerWaalsContact C-N 3.26Å; E464-F466 PolarHBondContact O-N 3.42Å; E464-A467 PolarHBondContact O-N 3.02Å; E464-A467 VanDerWaalsContact O-N 3.15Å; E464-V468 HydrophobicContact CG-CG2 4.34Å; E464-V468 WeakPolarHBondContact O-CB 2.86Å; E464-V468 VanDerWaalsContact O-CG2 3.32Å; E464-V468 WeakPolarHBondContact O-CG2 3.41Å; E464-V468 PolarHBondContact O-N 3.15Å; E464-H503 PolarHBondContact N-NE2 3.16Å; E464-L506 HydrophobicContact CG-CD1 3.94Å |
| 465 | S | 90.3 | Very high | 80.9 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56 | -42.1 | 179 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | I420 A423 T463 V468 A469 | I420-S465 VanDerWaalsContact CA-OG 3.31Å; I420-S465 WeakPolarHBondContact CA-OG 3.36Å; I420-S465 WeakPolarHBondContact CG1-OG 3.47Å; I420-S465 PolarHBondContact N-OG 2.97Å; A423-S465 WeakPolarHBondContact CB-O 3.32Å; T463-S465 VanDerWaalsContact C-N 3.3Å; T463-S465 PolarHBondContact O-N 3.28Å; S465-V468 PolarHBondContact O-N 3.04Å; S465-A469 WeakPolarHBondContact O-CB 3.26Å; S465-A469 PolarHBondContact O-N 3.38Å |
| 466 | F | 91.1 | Very high | 83.3 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 177 | -173.1 | -108 | 0 | 0 | 0 | 111.5 | L446 Q460 T463 E464 V468 A469 L470 F497 | L446-F466 HydrophobicContact CD2-CD2 3.82Å; L446-F466 HydrophobicContact CD2-CE2 3.22Å; L446-F466 HydrophobicContact CD2-CZ 3.84Å; Q460-F466 HydrophobicContact CB-CE2 4.36Å; Q460-F466 HydrophobicContact CB-CZ 4.38Å; Q460-F466 HydrophobicContact CG-CE2 4.32Å; T463-F466 WeakPolarHBondContact O-CB 3.5Å; T463-F466 PolarHBondContact O-N 3.04Å; T463-F466 PolarHBondContact OG1-N 3.21Å; E464-F466 VanDerWaalsContact C-N 3.26Å; E464-F466 PolarHBondContact O-N 3.42Å; F466-V468 VanDerWaalsContact C-N 3.35Å; F466-V468 PolarHBondContact O-N 3.18Å; F466-A469 PolarHBondContact O-N 3.46Å; F466-L470 HydrophobicContact CD1-CD1 3.76Å; F466-L470 HydrophobicContact CE1-CD1 3.37Å; F466-L470 HydrophobicContact CE1-CG 4.39Å; F466-L470 HydrophobicContact CE2-CD1 4.47Å; F466-L470 HydrophobicContact CG-CD1 4.45Å; F466-L470 HydrophobicContact CZ-CD1 3.76Å; F466-L470 HydrophobicContact CZ-CG 4.43Å; F466-L470 WeakPolarHBondContact O-CG 3.46Å; F466-L470 PolarHBondContact O-N 3.44Å; F466-F497 AromaticContact CD1-CE2 3.96Å; F466-F497 HydrophobicContact CD1-CE2 3.96Å; F466-F497 HydrophobicContact CD1-CZ 4.01Å; F466-F497 HydrophobicContact CE1-CE2 4.48Å |
| 467 | A | 93.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T463 E464 L470 C471 L493 F497 H503 L506 | T463-A467 PolarHBondContact O-N 3.43Å; E464-A467 PolarHBondContact O-N 3.02Å; E464-A467 VanDerWaalsContact O-N 3.15Å; A467-L470 PolarHBondContact O-N 2.83Å; A467-C471 WeakPolarHBondContact O-CB 3.1Å; A467-C471 PolarHBondContact O-N 3.24Å; A467-C471 PolarHBondContact O-SG 3.28Å; A467-L493 HydrophobicContact CB-CD2 4.4Å; A467-F497 HydrophobicContact CB-CD2 4.36Å; A467-F497 HydrophobicContact CB-CE1 4.01Å; A467-F497 HydrophobicContact CB-CE2 3.85Å; A467-F497 HydrophobicContact CB-CZ 3.65Å; A467-H503 HydrophobicContact CB-CB 4.36Å; A467-L506 HydrophobicContact CB-CD1 3.91Å |
| 468 | V | 94.4 | Very high | 88.4 | Confident | 10 Ų | 10 | 21.5 Ų | 21.5 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 178.1 | 169 | 0 | 0 | 0 | 0 | 111.3 | A2 E464 S465 F466 C471 H472 L506 | A2-V468 HydrophobicContact CB-CG2 4.35Å; E464-V468 HydrophobicContact CG-CG2 4.34Å; E464-V468 WeakPolarHBondContact O-CB 2.86Å; E464-V468 VanDerWaalsContact O-CG2 3.32Å; E464-V468 WeakPolarHBondContact O-CG2 3.41Å; E464-V468 PolarHBondContact O-N 3.15Å; S465-V468 PolarHBondContact O-N 3.04Å; F466-V468 VanDerWaalsContact C-N 3.35Å; F466-V468 PolarHBondContact O-N 3.18Å; V468-C471 PolarHBondContact O-N 3.14Å; V468-H472 PolarHBondContact O-CD2 2.89Å; V468-H472 VanDerWaalsContact O-CD2 3.29Å; V468-H472 PolarHBondContact O-N 3.17Å; V468-L506 HydrophobicContact CG2-CD1 3.81Å |
| 469 | A | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L445 S465 F466 H472 L473 | L445-A469 HydrophobicContact CD2-CB 3.7Å; S465-A469 WeakPolarHBondContact O-CB 3.26Å; S465-A469 PolarHBondContact O-N 3.38Å; F466-A469 PolarHBondContact O-N 3.46Å; A469-H472 PolarHBondContact O-N 2.91Å; A469-L473 WeakPolarHBondContact O-CB 3.41Å; A469-L473 PolarHBondContact O-N 3.09Å |
| 470 | L | 96 | Very high | 92.4 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 174.5 | -74.2 | 171.2 | 0 | 0 | 0 | 112.3 | L446 F466 A467 L473 A474 V489 L493 | L446-L470 HydrophobicContact CD1-CD2 3.74Å; L446-L470 HydrophobicContact CD2-CD2 3.6Å; L446-L470 HydrophobicContact CD2-CG 3.88Å; L446-L470 HydrophobicContact CG-CD2 4.32Å; F466-L470 HydrophobicContact CD1-CD1 3.76Å; F466-L470 HydrophobicContact CE1-CD1 3.37Å; F466-L470 HydrophobicContact CE1-CG 4.39Å; F466-L470 HydrophobicContact CE2-CD1 4.47Å; F466-L470 HydrophobicContact CG-CD1 4.45Å; F466-L470 HydrophobicContact CZ-CD1 3.76Å; F466-L470 HydrophobicContact CZ-CG 4.43Å; F466-L470 WeakPolarHBondContact O-CG 3.46Å; F466-L470 PolarHBondContact O-N 3.44Å; A467-L470 PolarHBondContact O-N 2.83Å; L470-L473 WeakPolarHBondContact O-CB 3.39Å; L470-L473 PolarHBondContact O-N 3.08Å; L470-A474 WeakPolarHBondContact O-CB 3.36Å; L470-A474 PolarHBondContact O-N 2.78Å; L470-V489 HydrophobicContact CB-CG1 4.25Å; L470-V489 HydrophobicContact CD2-CG1 3.98Å; L470-V489 WeakPolarHBondContact O-CG1 3.46Å; L470-L493 HydrophobicContact CB-CD1 3.8Å; L470-L493 HydrophobicContact CB-CD2 3.64Å; L470-L493 HydrophobicContact CB-CG 3.71Å; L470-L493 HydrophobicContact CD1-CD2 3.77Å; L470-L493 HydrophobicContact CD1-CG 3.99Å; L470-L493 HydrophobicContact CG-CD2 4.37Å; L470-L493 HydrophobicContact CG-CG 4.46Å |
| 471 | C | 97.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 8% | 0.081 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.5 | -69.8 | 0 | 0 | 0 | 0 | 111.1 | A467 V468 L473 A474 E475 C510 | A467-C471 WeakPolarHBondContact O-CB 3.1Å; A467-C471 PolarHBondContact O-N 3.24Å; A467-C471 PolarHBondContact O-SG 3.28Å; V468-C471 PolarHBondContact O-N 3.14Å; C471-L473 VanDerWaalsContact C-N 3.34Å; C471-L473 PolarHBondContact O-N 3.27Å; C471-A474 PolarHBondContact O-N 3.05Å; C471-E475 WeakPolarHBondContact O-CG 3.32Å; C471-E475 PolarHBondContact O-N 3.39Å; C471-C510 HydrophobicContact CB-CB 4.09Å |
| 472 | H | 97.6 | Very high | 94.5 | Very high | 24 Ų | 24 | 19.2 Ų | 19.2 | 11% | 0.111 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 174.5 | -77.8 | -47.3 | 0 | 0 | 0 | 112.4 | T426 A427 R430 V468 A469 E475 L476 | T426-H472 HydrophobicContact CG2-CB 3.8Å; A427-H472 WeakPolarHBondContact CB-NE2 3.3Å; R430-H472 PolarHBondContact NH1-CE1 2.9Å; R430-H472 PolarHBondContact NH1-ND1 3.5Å; V468-H472 PolarHBondContact O-CD2 2.89Å; V468-H472 VanDerWaalsContact O-CD2 3.29Å; V468-H472 PolarHBondContact O-N 3.17Å; A469-H472 PolarHBondContact O-N 2.91Å; H472-E475 PolarHBondContact O-N 3.21Å; H472-L476 WeakPolarHBondContact O-CB 3.34Å; H472-L476 WeakPolarHBondContact O-CD1 3.47Å; H472-L476 WeakPolarHBondContact O-CG 3.48Å; H472-L476 PolarHBondContact O-N 3.23Å |
| 473 | L | 97.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 6% | 0.063 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.1 | -179.5 | 63.3 | 0 | 0 | 0 | 111.9 | L439 A442 L446 A469 L470 C471 L476 H477 V489 | L439-L473 HydrophobicContact CD1-CD1 3.29Å; A442-L473 HydrophobicContact CB-CB 4.42Å; L446-L473 HydrophobicContact CD1-CD2 3.47Å; L446-L473 VanDerWaalsContact CD1-CD2 3.47Å; A469-L473 WeakPolarHBondContact O-CB 3.41Å; A469-L473 PolarHBondContact O-N 3.09Å; L470-L473 WeakPolarHBondContact O-CB 3.39Å; L470-L473 PolarHBondContact O-N 3.08Å; C471-L473 VanDerWaalsContact C-N 3.34Å; C471-L473 PolarHBondContact O-N 3.27Å; L473-L476 PolarHBondContact O-N 3.17Å; L473-H477 WeakPolarHBondContact CD1-NE2 3.47Å; L473-H477 PolarHBondContact O-CD2 3.17Å; L473-H477 VanDerWaalsContact O-CD2 3.23Å; L473-H477 PolarHBondContact O-N 3.13Å; L473-V489 HydrophobicContact CD2-CG1 4.42Å; L473-V489 HydrophobicContact CD2-CG2 4Å; L473-V489 HydrophobicContact CG-CG2 4.23Å |
| 474 | A | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L470 C471 H477 A478 A486 V489 L490 I514 | L470-A474 WeakPolarHBondContact O-CB 3.36Å; L470-A474 PolarHBondContact O-N 2.78Å; C471-A474 PolarHBondContact O-N 3.05Å; A474-H477 PolarHBondContact O-N 3.32Å; A474-A478 WeakPolarHBondContact O-CB 3.47Å; A474-A478 PolarHBondContact O-N 3.48Å; A474-A486 WeakPolarHBondContact O-CB 3.19Å; A474-V489 HydrophobicContact CB-CB 4.16Å; A474-V489 HydrophobicContact CB-CG1 3.85Å; A474-L490 HydrophobicContact CB-CD2 4.31Å; A474-L490 HydrophobicContact CB-CG 4.21Å; A474-I514 HydrophobicContact CB-CD1 3.98Å |
| 475 | E | 97.5 | Very high | 95.7 | Very high | 20 Ų | 20 | 23.4 Ų | 23.4 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 178.4 | -67.9 | -177.5 | 163.2 | 0 | 0 | 111.5 | R430 C471 H472 H477 A478 E479 K513 I514 | R430-E475 IonicContact CZ-OE2 2.96Å; R430-E475 IonicContact NH1-OE2 2.92Å; R430-E475 PolarHBondContact NH1-OE2 3.07Å; R430-E475 VanDerWaalsContact NH2-CB 3.32Å; R430-E475 IonicContact NH2-OE2 3.96Å; R430-E475 PolarHBondContact NH2-OE2 3.38Å; C471-E475 WeakPolarHBondContact O-CG 3.32Å; C471-E475 PolarHBondContact O-N 3.39Å; H472-E475 PolarHBondContact O-N 3.21Å; E475-H477 PolarHBondContact O-N 3.37Å; E475-A478 PolarHBondContact O-N 2.86Å; E475-E479 WeakPolarHBondContact O-CB 3.2Å; E475-E479 VanDerWaalsContact O-CG 3.25Å; E475-E479 WeakPolarHBondContact O-CG 3.28Å; E475-E479 PolarHBondContact O-N 3.48Å; E475-K513 IonicContact OE1-NZ 2.7Å; E475-K513 PolarHBondContact OE1-NZ 2.8Å; E475-K513 IonicContact OE2-NZ 3.8Å; E475-I514 HydrophobicContact CG-CD1 4.17Å; E475-I514 HydrophobicContact CG-CG1 4.34Å |
| 476 | L | 96.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 176 | -74.1 | 167.3 | 0 | 0 | 0 | 112.1 | A438 L439 H472 L473 Q480 | A438-L476 HydrophobicContact CB-CD1 3.92Å; L439-L476 HydrophobicContact CB-CD1 4.4Å; H472-L476 WeakPolarHBondContact O-CB 3.34Å; H472-L476 WeakPolarHBondContact O-CD1 3.47Å; H472-L476 WeakPolarHBondContact O-CG 3.48Å; H472-L476 PolarHBondContact O-N 3.23Å; L473-L476 PolarHBondContact O-N 3.17Å; L476-Q480 WeakPolarHBondContact O-CG 3.43Å; L476-Q480 PolarHBondContact O-N 3.05Å |
| 477 | H | 97.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 22% | 0.218 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 174.1 | -80.3 | -54.3 | 0 | 0 | 0 | 112.1 | L473 A474 E475 Q480 G481 C482 A485 A486 | L473-H477 WeakPolarHBondContact CD1-NE2 3.47Å; L473-H477 PolarHBondContact O-CD2 3.17Å; L473-H477 VanDerWaalsContact O-CD2 3.23Å; L473-H477 PolarHBondContact O-N 3.13Å; A474-H477 PolarHBondContact O-N 3.32Å; E475-H477 PolarHBondContact O-N 3.37Å; H477-Q480 PolarHBondContact O-N 3.24Å; H477-G481 PolarHBondContact O-N 3.34Å; H477-C482 HydrophobicContact CB-CB 4.25Å; H477-C482 WeakPolarHBondContact O-CA 3.49Å; H477-C482 WeakPolarHBondContact O-CB 3.27Å; H477-C482 PolarHBondContact O-N 3.42Å; H477-A485 HydrophobicContact CB-CB 4.4Å; H477-A486 HydrophobicContact CB-CB 4.09Å |
| 478 | A | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A474 E475 Q480 G481 F483 A486 I514 | A474-A478 WeakPolarHBondContact O-CB 3.47Å; A474-A478 PolarHBondContact O-N 3.48Å; E475-A478 PolarHBondContact O-N 2.86Å; A478-Q480 PolarHBondContact O-N 3.01Å; A478-G481 WeakPolarHBondContact O-CA 3.48Å; A478-G481 PolarHBondContact O-N 3.16Å; A478-F483 HydrophobicContact CB-CD1 4.3Å; A478-F483 HydrophobicContact CB-CE1 4.18Å; A478-A486 HydrophobicContact CB-CB 4.13Å; A478-I514 HydrophobicContact CB-CB 4.44Å; A478-I514 HydrophobicContact CB-CD1 4.08Å; A478-I514 HydrophobicContact CB-CG1 3.85Å; A478-I514 HydrophobicContact CB-CG2 3.83Å |
| 479 | E | 95.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 32.7 Ų | 32.7 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.1 | -31.5 | 175.4 | -75.4 | 165.8 | -165.4 | 0 | 0 | 112.4 | R430 E475 G481 A656 I657 | R430-E479 IonicContact CZ-OE1 2.88Å; R430-E479 IonicContact NE-OE1 2.93Å; R430-E479 IonicContact NH2-OE1 3.38Å; R430-E479 PolarHBondContact NH2-OE1 3Å; E475-E479 WeakPolarHBondContact O-CB 3.2Å; E475-E479 VanDerWaalsContact O-CG 3.25Å; E475-E479 WeakPolarHBondContact O-CG 3.28Å; E475-E479 PolarHBondContact O-N 3.48Å; E479-G481 VanDerWaalsContact C-N 3.31Å; E479-A656 HydrophobicContact CB-CB 4.22Å; E479-A656 HydrophobicContact CG-CB 4.49Å; E479-A656 WeakPolarHBondContact O-CA 3.41Å; E479-I657 WeakPolarHBondContact O-CG2 3.21Å; E479-I657 PolarHBondContact O-N 3.36Å |
| 480 | Q | 95.8 | Very high | 97 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 5.9 | 174.5 | -61 | -53.7 | -48.1 | 0 | 0 | 113.9 | L476 H477 A478 C482 G655 K660 | L476-Q480 WeakPolarHBondContact O-CG 3.43Å; L476-Q480 PolarHBondContact O-N 3.05Å; H477-Q480 PolarHBondContact O-N 3.24Å; A478-Q480 PolarHBondContact O-N 3.01Å; Q480-C482 VanDerWaalsContact C-N 3.27Å; Q480-C482 PolarHBondContact O-N 3.32Å; Q480-G655 PolarHBondContact NE2-O 2.95Å; Q480-K660 VanDerWaalsContact OE1-NZ 3.08Å |
| 481 | G | 95.3 | Very high | 97 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 7.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H477 A478 E479 F483 | H477-G481 PolarHBondContact O-N 3.34Å; A478-G481 WeakPolarHBondContact O-CA 3.48Å; A478-G481 PolarHBondContact O-N 3.16Å; E479-G481 VanDerWaalsContact C-N 3.31Å; G481-F483 WeakPolarHBondContact O-CD2 3.28Å; G481-F483 PolarHBondContact O-N 3.39Å |
| 482 | C | 96.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 41 Ų | 41 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | trans | -84.3 | 59.1 | 179.1 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | H477 Q480 A484 A485 A486 | H477-C482 HydrophobicContact CB-CB 4.25Å; H477-C482 WeakPolarHBondContact O-CA 3.49Å; H477-C482 WeakPolarHBondContact O-CB 3.27Å; H477-C482 PolarHBondContact O-N 3.42Å; Q480-C482 VanDerWaalsContact C-N 3.27Å; Q480-C482 PolarHBondContact O-N 3.32Å; C482-A484 PolarHBondContact O-N 3.42Å; C482-A485 HydrophobicContact CB-CB 4.28Å; C482-A485 PolarHBondContact O-N 2.82Å; C482-A486 PolarHBondContact O-N 3.47Å | ||
| 483 | F | 95.7 | Very high | 96.8 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -28.4 | -175.1 | -64.6 | -70.2 | 0 | 0 | 0 | 114 | A478 G481 S487 I514 R518 V704 | A478-F483 HydrophobicContact CB-CD1 4.3Å; A478-F483 HydrophobicContact CB-CE1 4.18Å; G481-F483 WeakPolarHBondContact O-CD2 3.28Å; G481-F483 PolarHBondContact O-N 3.39Å; F483-S487 WeakPolarHBondContact O-CB 3.29Å; F483-S487 PolarHBondContact O-N 3.31Å; F483-S487 PolarHBondContact O-OG 3.05Å; F483-I514 HydrophobicContact CD1-CG2 4.31Å; F483-I514 HydrophobicContact CE1-CG2 4.5Å; F483-R518 HydrophobicContact CE1-CB 4.16Å; F483-R518 HydrophobicContact CE1-CG 4.43Å; F483-R518 HydrophobicContact CZ-CB 4.47Å; F483-R518 HydrophobicContact CZ-CG 4.5Å; F483-V704 HydrophobicContact CE2-CB 4.25Å; F483-V704 HydrophobicContact CE2-CG1 3.93Å; F483-V704 HydrophobicContact CZ-CG1 4.22Å |
| 484 | A | 96.1 | Very high | 96.7 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 70% | 0.702 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.7 | -49 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | C482 S487 E488 | C482-A484 PolarHBondContact O-N 3.42Å; A484-S487 WeakPolarHBondContact O-CB 3.32Å; A484-S487 PolarHBondContact O-N 3Å; A484-E488 PolarHBondContact O-N 3.35Å |
| 485 | A | 96.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H477 C482 S487 E488 V489 | H477-A485 HydrophobicContact CB-CB 4.4Å; C482-A485 HydrophobicContact CB-CB 4.28Å; C482-A485 PolarHBondContact O-N 2.82Å; A485-S487 VanDerWaalsContact C-N 3.28Å; A485-S487 PolarHBondContact O-N 2.99Å; A485-E488 PolarHBondContact O-N 3.33Å; A485-V489 WeakPolarHBondContact O-CG2 3.24Å; A485-V489 PolarHBondContact O-N 3.18Å |
| 486 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A474 H477 A478 C482 V489 L490 | A474-A486 WeakPolarHBondContact O-CB 3.19Å; H477-A486 HydrophobicContact CB-CB 4.09Å; A478-A486 HydrophobicContact CB-CB 4.13Å; C482-A486 PolarHBondContact O-N 3.47Å; A486-V489 PolarHBondContact O-N 2.97Å; A486-L490 WeakPolarHBondContact O-CB 3.38Å; A486-L490 VanDerWaalsContact O-CG 3.23Å; A486-L490 WeakPolarHBondContact O-CG 3.48Å; A486-L490 PolarHBondContact O-N 3.34Å |
| 487 | S | 98 | Very high | 95.9 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | F483 A484 A485 L490 K491 | F483-S487 WeakPolarHBondContact O-CB 3.29Å; F483-S487 PolarHBondContact O-N 3.31Å; F483-S487 PolarHBondContact O-OG 3.05Å; A484-S487 WeakPolarHBondContact O-CB 3.32Å; A484-S487 PolarHBondContact O-N 3Å; A485-S487 VanDerWaalsContact C-N 3.28Å; A485-S487 PolarHBondContact O-N 2.99Å; S487-L490 PolarHBondContact O-N 3.26Å; S487-K491 WeakPolarHBondContact O-CB 3.37Å; S487-K491 PolarHBondContact O-N 3Å |
| 488 | E | 98 | Very high | 95.6 | Very high | 144 Ų | 144 | 52 Ų | 52 | 67% | 0.673 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.8 | -44.9 | 175.2 | -172.7 | 175.5 | -169.9 | 0 | 0 | 111.4 | A484 A485 L490 K491 H492 | A484-E488 PolarHBondContact O-N 3.35Å; A485-E488 PolarHBondContact O-N 3.33Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 2.9Å; E488-K491 WeakPolarHBondContact O-CB 3.48Å; E488-K491 PolarHBondContact O-N 2.86Å; E488-H492 PolarHBondContact O-N 3.18Å |
| 489 | V | 97.4 | Very high | 95.1 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 174.3 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | L470 L473 A474 A485 A486 H492 L493 | L470-V489 HydrophobicContact CB-CG1 4.25Å; L470-V489 HydrophobicContact CD2-CG1 3.98Å; L470-V489 WeakPolarHBondContact O-CG1 3.46Å; L473-V489 HydrophobicContact CD2-CG1 4.42Å; L473-V489 HydrophobicContact CD2-CG2 4Å; L473-V489 HydrophobicContact CG-CG2 4.23Å; A474-V489 HydrophobicContact CB-CB 4.16Å; A474-V489 HydrophobicContact CB-CG1 3.85Å; A485-V489 WeakPolarHBondContact O-CG2 3.24Å; A485-V489 PolarHBondContact O-N 3.18Å; A486-V489 PolarHBondContact O-N 2.97Å; V489-H492 WeakPolarHBondContact O-CB 3.38Å; V489-H492 PolarHBondContact O-N 2.93Å; V489-L493 HydrophobicContact CG1-CD1 4.35Å; V489-L493 PolarHBondContact O-N 3.34Å |
| 490 | L | 98.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 176.3 | -73.5 | 169.2 | 0 | 0 | 0 | 112.5 | A474 A486 S487 E488 L493 K494 D511 I514 | A474-L490 HydrophobicContact CB-CD2 4.31Å; A474-L490 HydrophobicContact CB-CG 4.21Å; A486-L490 WeakPolarHBondContact O-CB 3.38Å; A486-L490 VanDerWaalsContact O-CG 3.23Å; A486-L490 WeakPolarHBondContact O-CG 3.48Å; A486-L490 PolarHBondContact O-N 3.34Å; S487-L490 PolarHBondContact O-N 3.26Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 2.9Å; L490-L493 HydrophobicContact CD2-CD1 4.22Å; L490-L493 WeakPolarHBondContact O-CB 3.48Å; L490-L493 PolarHBondContact O-N 2.87Å; L490-K494 VanDerWaalsContact O-CG 3.26Å; L490-K494 WeakPolarHBondContact O-CG 3.21Å; L490-K494 PolarHBondContact O-N 2.93Å; L490-D511 HydrophobicContact CD1-CB 4.4Å; L490-D511 HydrophobicContact CD2-CB 3.98Å; L490-I514 HydrophobicContact CD1-CD1 4.04Å |
| 491 | K | 97.5 | Very high | 94.1 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 173.1 | -177.6 | -176.9 | 171.7 | -171.3 | 0 | 110.3 | S487 E488 L493 K494 E495 | S487-K491 WeakPolarHBondContact O-CB 3.37Å; S487-K491 PolarHBondContact O-N 3Å; E488-K491 WeakPolarHBondContact O-CB 3.48Å; E488-K491 PolarHBondContact O-N 2.86Å; K491-L493 VanDerWaalsContact C-N 3.34Å; K491-L493 PolarHBondContact O-N 3.42Å; K491-K494 PolarHBondContact O-N 3.34Å; K491-E495 WeakPolarHBondContact CE-OE1 3.41Å; K491-E495 IonicContact NZ-OE1 3.73Å; K491-E495 WeakPolarHBondContact O-CG 3.35Å; K491-E495 PolarHBondContact O-N 3.35Å |
| 492 | H | 94.7 | Very high | 93.5 | Very high | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.4 | -174 | 73.9 | 0 | 0 | 0 | 112.2 | E488 V489 K494 E495 R496 | E488-H492 PolarHBondContact O-N 3.18Å; V489-H492 WeakPolarHBondContact O-CB 3.38Å; V489-H492 PolarHBondContact O-N 2.93Å; H492-K494 PolarHBondContact O-N 3.45Å; H492-E495 PolarHBondContact O-N 3.01Å; H492-R496 WeakPolarHBondContact O-CB 3.47Å; H492-R496 VanDerWaalsContact O-CG 3.29Å; H492-R496 WeakPolarHBondContact O-CG 3.21Å; H492-R496 PolarHBondContact O-N 3.33Å |
| 493 | L | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 173.7 | -87.4 | 162.3 | 0 | 0 | 0 | 112.4 | A467 L470 V489 L490 K491 E495 R496 F497 W507 | A467-L493 HydrophobicContact CB-CD2 4.4Å; L470-L493 HydrophobicContact CB-CD1 3.8Å; L470-L493 HydrophobicContact CB-CD2 3.64Å; L470-L493 HydrophobicContact CB-CG 3.71Å; L470-L493 HydrophobicContact CD1-CD2 3.77Å; L470-L493 HydrophobicContact CD1-CG 3.99Å; L470-L493 HydrophobicContact CG-CD2 4.37Å; L470-L493 HydrophobicContact CG-CG 4.46Å; V489-L493 HydrophobicContact CG1-CD1 4.35Å; V489-L493 PolarHBondContact O-N 3.34Å; L490-L493 HydrophobicContact CD2-CD1 4.22Å; L490-L493 WeakPolarHBondContact O-CB 3.48Å; L490-L493 PolarHBondContact O-N 2.87Å; K491-L493 VanDerWaalsContact C-N 3.34Å; K491-L493 PolarHBondContact O-N 3.42Å; L493-E495 VanDerWaalsContact C-N 3.35Å; L493-E495 PolarHBondContact O-N 3.34Å; L493-R496 PolarHBondContact O-N 3.48Å; L493-F497 HydrophobicContact CD2-CD2 3.96Å; L493-F497 HydrophobicContact CD2-CE2 4.13Å; L493-F497 WeakPolarHBondContact O-CB 3.38Å; L493-F497 WeakPolarHBondContact O-CD2 3.44Å; L493-F497 PolarHBondContact O-N 2.93Å; L493-W507 HydrophobicContact CB-CB 3.82Å; L493-W507 HydrophobicContact CB-CG 4.17Å; L493-W507 HydrophobicContact CD1-CB 3.94Å; L493-W507 HydrophobicContact CD2-CB 4.02Å; L493-W507 HydrophobicContact CG-CB 4.15Å |
| 494 | K | 95.7 | Very high | 93 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | -179.9 | -72.5 | 169.3 | -176 | -177.6 | 0 | 112.7 | L490 K491 H492 W507 D511 | L490-K494 VanDerWaalsContact O-CG 3.26Å; L490-K494 WeakPolarHBondContact O-CG 3.21Å; L490-K494 PolarHBondContact O-N 2.93Å; K491-K494 PolarHBondContact O-N 3.34Å; H492-K494 PolarHBondContact O-N 3.45Å; K494-W507 HydrophobicContact CD-CE3 4.38Å; K494-W507 HydrophobicContact CD-CH2 4.33Å; K494-W507 HydrophobicContact CD-CZ3 4.02Å; K494-W507 HydrophobicContact CG-CD2 4Å; K494-W507 HydrophobicContact CG-CE3 3.7Å; K494-W507 HydrophobicContact CG-CH2 3.74Å; K494-W507 HydrophobicContact CG-CZ2 3.96Å; K494-W507 HydrophobicContact CG-CZ3 3.61Å; K494-D511 VanDerWaalsContact CE-OD2 3.27Å; K494-D511 WeakPolarHBondContact CE-OD2 3.41Å; K494-D511 IonicContact NZ-OD1 3.44Å; K494-D511 IonicContact NZ-OD2 2.66Å; K494-D511 PolarHBondContact NZ-OD2 3.34Å |
| 495 | E | 93 | Very high | 92.8 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 58% | 0.575 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.5 | -39.7 | 177 | -72 | 170.3 | 179.3 | 0 | 0 | 111.7 | K491 H492 L493 | K491-E495 WeakPolarHBondContact CE-OE1 3.41Å; K491-E495 IonicContact NZ-OE1 3.73Å; K491-E495 WeakPolarHBondContact O-CG 3.35Å; K491-E495 PolarHBondContact O-N 3.35Å; H492-E495 PolarHBondContact O-N 3.01Å; L493-E495 VanDerWaalsContact C-N 3.35Å; L493-E495 PolarHBondContact O-N 3.34Å |
| 496 | R | 90.3 | Very high | 92.7 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 30% | 0.302 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -80.1 | -30.4 | -179.3 | -67 | -61.5 | -171.2 | 145.5 | -1.2 | 113.8 | N462 H492 L493 P498 | N462-R496 PolarHBondContact ND2-O 3.17Å; N462-R496 WeakPolarHBondContact OD1-CD 3.39Å; H492-R496 WeakPolarHBondContact O-CB 3.47Å; H492-R496 VanDerWaalsContact O-CG 3.29Å; H492-R496 WeakPolarHBondContact O-CG 3.21Å; H492-R496 PolarHBondContact O-N 3.33Å; L493-R496 PolarHBondContact O-N 3.48Å; R496-P498 WeakPolarHBondContact O-CD 3.37Å |
| 497 | F | 92.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -125.8 | 79.4 | -177.3 | -60.3 | -86.7 | 0 | 0 | 0 | 110.3 | N462 F466 A467 L493 H503 W507 | N462-F497 HydrophobicContact CB-CD1 4.46Å; N462-F497 HydrophobicContact CB-CE1 3.77Å; N462-F497 HydrophobicContact CB-CZ 3.85Å; N462-F497 WeakPolarHBondContact O-CE1 3.27Å; F466-F497 AromaticContact CD1-CE2 3.96Å; F466-F497 HydrophobicContact CD1-CE2 3.96Å; F466-F497 HydrophobicContact CD1-CZ 4.01Å; F466-F497 HydrophobicContact CE1-CE2 4.48Å; A467-F497 HydrophobicContact CB-CD2 4.36Å; A467-F497 HydrophobicContact CB-CE1 4.01Å; A467-F497 HydrophobicContact CB-CE2 3.85Å; A467-F497 HydrophobicContact CB-CZ 3.65Å; L493-F497 HydrophobicContact CD2-CD2 3.96Å; L493-F497 HydrophobicContact CD2-CE2 4.13Å; L493-F497 WeakPolarHBondContact O-CB 3.38Å; L493-F497 WeakPolarHBondContact O-CD2 3.44Å; L493-F497 PolarHBondContact O-N 2.93Å; F497-H503 HydrophobicContact CD1-CB 3.97Å; F497-H503 HydrophobicContact CE1-CB 4.12Å; F497-W507 PolarHBondContact O-NE1 3.37Å |
| 498 | P | 91.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | trans | -54.7 | 156.1 | 176.8 | -24.9 | 34.2 | 0 | 0 | 0 | 112.1 | T228 R496 N500 S501 A504 | T228-P498 HydrophobicContact CG2-CG 4.18Å; R496-P498 WeakPolarHBondContact O-CD 3.37Å; P498-N500 PolarHBondContact O-N 3Å; P498-S501 WeakPolarHBondContact O-CB 3.21Å; P498-S501 PolarHBondContact O-N 3.26Å; P498-S501 PolarHBondContact O-OG 3.25Å; P498-A504 WeakPolarHBondContact O-CB 3.47Å | ||
| 499 | P | 87.2 | Confident | 92.6 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.1 | -173.8 | -28.8 | 35.5 | 0 | 0 | 0 | 116.3 | M508 | P499-M508 HydrophobicContact CB-CE 4.28Š|
| 500 | N | 83.6 | Confident | 92.7 | Very high | 158 Ų | 158 | 56.9 Ų | 56.9 | 85% | 0.845 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.4 | -179.7 | -60.9 | -17.1 | 0 | 0 | 0 | 113.6 | P498 | P498-N500 PolarHBondContact O-N 3Š|
| 501 | S | 86.2 | Confident | 92.7 | Very high | 17 Ų | 17 | 58 Ų | 58 | 12% | 0.119 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -77.8 | 155.6 | 179.3 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | P498 H503 A504 | P498-S501 WeakPolarHBondContact O-CB 3.21Å; P498-S501 PolarHBondContact O-N 3.26Å; P498-S501 PolarHBondContact O-OG 3.25Å; S501-H503 PolarHBondContact O-N 3.05Å; S501-H503 VanDerWaalsContact O-N 3.15Å; S501-A504 WeakPolarHBondContact O-CB 3.45Å; S501-A504 PolarHBondContact O-N 3.32Å |
| 502 | Q | 82.3 | Confident | 92.7 | Very high | 75 Ų | 75 | 54 Ų | 54 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -37.7 | -177.4 | -175.8 | 178.5 | -15.9 | 0 | 0 | 113.5 | E6 E227 | E6-Q502 PolarHBondContact OE1-NE2 3.29Å; E227-Q502 WeakPolarHBondContact OE2-CB 3.33Å; E227-Q502 PolarHBondContact OE2-N 3.32Å |
| 503 | H | 88.8 | Confident | 92.9 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 7.9 | -173 | -51.1 | -50.8 | 0 | 0 | 0 | 114 | E6 E464 A467 F497 S501 Q505 L506 | E6-H503 IonicContact OE2-CE1 2.72Å; E6-H503 PolarHBondContact OE2-CE1 3.04Å; E6-H503 IonicContact OE2-ND1 3.19Å; E6-H503 PolarHBondContact OE2-ND1 3.09Å; E464-H503 PolarHBondContact N-NE2 3.16Å; A467-H503 HydrophobicContact CB-CB 4.36Å; F497-H503 HydrophobicContact CD1-CB 3.97Å; F497-H503 HydrophobicContact CE1-CB 4.12Å; S501-H503 PolarHBondContact O-N 3.05Å; S501-H503 VanDerWaalsContact O-N 3.15Å; H503-Q505 PolarHBondContact O-N 3.26Å; H503-L506 HydrophobicContact CB-CD1 4.18Å; H503-L506 WeakPolarHBondContact O-CB 3.44Å; H503-L506 PolarHBondContact O-N 3.43Å; H503-L506 VanDerWaalsContact O-N 3.15Å |
| 504 | A | 92 | Very high | 93 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -35.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P498 S501 L506 W507 M508 | P498-A504 WeakPolarHBondContact O-CB 3.47Å; S501-A504 WeakPolarHBondContact O-CB 3.45Å; S501-A504 PolarHBondContact O-N 3.32Å; A504-L506 PolarHBondContact O-N 3.2Å; A504-L506 VanDerWaalsContact O-N 3.14Å; A504-W507 PolarHBondContact O-N 2.95Å; A504-W507 PolarHBondContact O-NE1 3.19Å; A504-M508 HydrophobicContact CB-SD 4.49Å; A504-M508 VanDerWaalsContact O-CG 3.26Å; A504-M508 WeakPolarHBondContact O-CG 3.45Å; A504-M508 PolarHBondContact O-N 3.31Å |
| 505 | Q | 93 | Very high | 93.1 | Very high | 126 Ų | 126 | 53 Ų | 53 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.5 | -28.1 | -178.5 | -65.7 | -175.7 | -7.4 | 0 | 0 | 113.2 | H503 L509 L538 | H503-Q505 PolarHBondContact O-N 3.26Å; Q505-L509 WeakPolarHBondContact O-CB 3.14Å; Q505-L509 PolarHBondContact O-N 3.2Å; Q505-L538 HydrophobicContact CB-CD2 4.03Å; Q505-L538 HydrophobicContact CG-CD2 4.02Å |
| 506 | L | 95 | Very high | 93.4 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 31% | 0.314 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.7 | -53.6 | 178.8 | -63.7 | 178.7 | 0 | 0 | 0 | 111.2 | E464 A467 V468 H503 A504 M508 L509 C510 | E464-L506 HydrophobicContact CG-CD1 3.94Å; A467-L506 HydrophobicContact CB-CD1 3.91Å; V468-L506 HydrophobicContact CG2-CD1 3.81Å; H503-L506 HydrophobicContact CB-CD1 4.18Å; H503-L506 WeakPolarHBondContact O-CB 3.44Å; H503-L506 PolarHBondContact O-N 3.43Å; H503-L506 VanDerWaalsContact O-N 3.15Å; A504-L506 PolarHBondContact O-N 3.2Å; A504-L506 VanDerWaalsContact O-N 3.14Å; L506-M508 VanDerWaalsContact C-N 3.34Å; L506-L509 PolarHBondContact O-N 2.94Å; L506-C510 WeakPolarHBondContact O-CB 3.26Å; L506-C510 PolarHBondContact O-N 2.82Å; L506-C510 VanDerWaalsContact O-N 3.12Å |
| 507 | W | 96.5 | Very high | 93.7 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72 | -31.9 | 179.3 | 73.3 | -106.1 | 0 | 0 | 0 | 111.4 | L493 K494 F497 A504 L509 C510 D511 | L493-W507 HydrophobicContact CB-CB 3.82Å; L493-W507 HydrophobicContact CB-CG 4.17Å; L493-W507 HydrophobicContact CD1-CB 3.94Å; L493-W507 HydrophobicContact CD2-CB 4.02Å; L493-W507 HydrophobicContact CG-CB 4.15Å; K494-W507 HydrophobicContact CD-CE3 4.38Å; K494-W507 HydrophobicContact CD-CH2 4.33Å; K494-W507 HydrophobicContact CD-CZ3 4.02Å; K494-W507 HydrophobicContact CG-CD2 4Å; K494-W507 HydrophobicContact CG-CE3 3.7Å; K494-W507 HydrophobicContact CG-CH2 3.74Å; K494-W507 HydrophobicContact CG-CZ2 3.96Å; K494-W507 HydrophobicContact CG-CZ3 3.61Å; F497-W507 PolarHBondContact O-NE1 3.37Å; A504-W507 PolarHBondContact O-N 2.95Å; A504-W507 PolarHBondContact O-NE1 3.19Å; W507-L509 VanDerWaalsContact C-N 3.31Å; W507-L509 PolarHBondContact O-N 3.33Å; W507-C510 WeakPolarHBondContact O-CB 3.4Å; W507-C510 PolarHBondContact O-N 3.37Å; W507-D511 HydrophobicContact CE3-CB 4.28Å; W507-D511 VanDerWaalsContact O-CB 3.31Å; W507-D511 WeakPolarHBondContact O-CB 3.46Å; W507-D511 PolarHBondContact O-N 2.66Å |
| 508 | M | 97.8 | Very high | 93.8 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 176.8 | -72.8 | 175.6 | 129.8 | 0 | 0 | 111.2 | P499 A504 L506 Q512 L538 | P499-M508 HydrophobicContact CB-CE 4.28Å; A504-M508 HydrophobicContact CB-SD 4.49Å; A504-M508 VanDerWaalsContact O-CG 3.26Å; A504-M508 WeakPolarHBondContact O-CG 3.45Å; A504-M508 PolarHBondContact O-N 3.31Å; L506-M508 VanDerWaalsContact C-N 3.34Å; M508-Q512 WeakPolarHBondContact O-CB 3.19Å; M508-Q512 VanDerWaalsContact O-CG 3.29Å; M508-Q512 WeakPolarHBondContact O-CG 3.48Å; M508-Q512 PolarHBondContact O-N 3.19Å; M508-Q512 VanDerWaalsContact O-N 3.12Å; M508-L538 HydrophobicContact CB-CD1 3.77Å |
| 509 | L | 97.7 | Very high | 94 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 176.4 | 178.4 | 60.2 | 0 | 0 | 0 | 111 | Q505 L506 W507 Q512 K513 I535 L538 N539 | Q505-L509 WeakPolarHBondContact O-CB 3.14Å; Q505-L509 PolarHBondContact O-N 3.2Å; L506-L509 PolarHBondContact O-N 2.94Å; W507-L509 VanDerWaalsContact C-N 3.31Å; W507-L509 PolarHBondContact O-N 3.33Å; L509-Q512 PolarHBondContact O-N 3.33Å; L509-K513 HydrophobicContact CD1-CD 4.06Å; L509-K513 HydrophobicContact CD1-CG 4.16Å; L509-K513 HydrophobicContact CG-CD 3.94Å; L509-K513 HydrophobicContact CG-CG 4.47Å; L509-K513 WeakPolarHBondContact O-CB 3.48Å; L509-K513 VanDerWaalsContact O-CG 3.24Å; L509-K513 WeakPolarHBondContact O-CG 3.45Å; L509-K513 PolarHBondContact O-N 2.86Å; L509-I535 HydrophobicContact CD1-CG2 3.93Å; L509-L538 HydrophobicContact CB-CB 4.26Å; L509-L538 HydrophobicContact CB-CD1 3.98Å; L509-L538 HydrophobicContact CD1-CB 4.16Å; L509-N539 HydrophobicContact CD1-CB 4.24Å; L509-N539 HydrophobicContact CD2-CB 4.02Å |
| 510 | C | 98 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.5 | -51.6 | 176.7 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | C471 L506 W507 Q512 K513 I514 | C471-C510 HydrophobicContact CB-CB 4.09Å; L506-C510 WeakPolarHBondContact O-CB 3.26Å; L506-C510 PolarHBondContact O-N 2.82Å; L506-C510 VanDerWaalsContact O-N 3.12Å; W507-C510 WeakPolarHBondContact O-CB 3.4Å; W507-C510 PolarHBondContact O-N 3.37Å; C510-Q512 PolarHBondContact O-N 2.94Å; C510-K513 PolarHBondContact O-N 3.16Å; C510-I514 WeakPolarHBondContact O-CG1 3.49Å; C510-I514 PolarHBondContact O-N 3.12Å |
| 511 | D | 98.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.9 | -50.8 | 178.2 | -173 | 28.9 | 0 | 0 | 0 | 110.7 | L490 K494 W507 K513 I514 Q515 | L490-D511 HydrophobicContact CD1-CB 4.4Å; L490-D511 HydrophobicContact CD2-CB 3.98Å; K494-D511 VanDerWaalsContact CE-OD2 3.27Å; K494-D511 WeakPolarHBondContact CE-OD2 3.41Å; K494-D511 IonicContact NZ-OD1 3.44Å; K494-D511 IonicContact NZ-OD2 2.66Å; K494-D511 PolarHBondContact NZ-OD2 3.34Å; W507-D511 HydrophobicContact CE3-CB 4.28Å; W507-D511 VanDerWaalsContact O-CB 3.31Å; W507-D511 WeakPolarHBondContact O-CB 3.46Å; W507-D511 PolarHBondContact O-N 2.66Å; D511-K513 VanDerWaalsContact C-N 3.34Å; D511-K513 PolarHBondContact O-N 3.44Å; D511-I514 PolarHBondContact O-N 3.26Å; D511-Q515 WeakPolarHBondContact O-CB 3.17Å; D511-Q515 WeakPolarHBondContact O-CG 3.32Å; D511-Q515 PolarHBondContact O-N 2.96Å |
| 512 | Q | 98.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | -179.2 | -71.6 | 179.3 | -5.4 | 0 | 0 | 113 | M508 L509 C510 F516 G534 I535 | M508-Q512 WeakPolarHBondContact O-CB 3.19Å; M508-Q512 VanDerWaalsContact O-CG 3.29Å; M508-Q512 WeakPolarHBondContact O-CG 3.48Å; M508-Q512 PolarHBondContact O-N 3.19Å; M508-Q512 VanDerWaalsContact O-N 3.12Å; L509-Q512 PolarHBondContact O-N 3.33Å; C510-Q512 PolarHBondContact O-N 2.94Å; Q512-F516 VanDerWaalsContact O-CB 3.24Å; Q512-F516 WeakPolarHBondContact O-CB 3.5Å; Q512-F516 PolarHBondContact O-N 3.38Å; Q512-G534 PolarHBondContact OE1-O 2.66Å; Q512-I535 HydrophobicContact CB-CD1 4.21Å; Q512-I535 HydrophobicContact CB-CG1 3.65Å |
| 513 | K | 98.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -48.7 | 174.8 | -72.9 | 169 | 65.8 | -160 | 0 | 111.5 | E475 L509 C510 D511 Q515 F516 D517 R546 | E475-K513 IonicContact OE1-NZ 2.7Å; E475-K513 PolarHBondContact OE1-NZ 2.8Å; E475-K513 IonicContact OE2-NZ 3.8Å; L509-K513 HydrophobicContact CD1-CD 4.06Å; L509-K513 HydrophobicContact CD1-CG 4.16Å; L509-K513 HydrophobicContact CG-CD 3.94Å; L509-K513 HydrophobicContact CG-CG 4.47Å; L509-K513 WeakPolarHBondContact O-CB 3.48Å; L509-K513 VanDerWaalsContact O-CG 3.24Å; L509-K513 WeakPolarHBondContact O-CG 3.45Å; L509-K513 PolarHBondContact O-N 2.86Å; C510-K513 PolarHBondContact O-N 3.16Å; D511-K513 VanDerWaalsContact C-N 3.34Å; D511-K513 PolarHBondContact O-N 3.44Å; K513-Q515 VanDerWaalsContact C-N 3.33Å; K513-Q515 PolarHBondContact O-N 3.02Å; K513-F516 WeakPolarHBondContact O-CB 3.38Å; K513-F516 PolarHBondContact O-N 2.98Å; K513-D517 VanDerWaalsContact O-CG 3.27Å; K513-D517 PolarHBondContact O-N 3.15Å; K513-R546 PolarHBondContact O-NH1 3.05Å |
| 514 | I | 98.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 178.8 | -69.5 | 168.7 | 0 | 0 | 0 | 110.7 | A474 E475 A478 F483 L490 C510 D511 F516 D517 R518 | A474-I514 HydrophobicContact CB-CD1 3.98Å; E475-I514 HydrophobicContact CG-CD1 4.17Å; E475-I514 HydrophobicContact CG-CG1 4.34Å; A478-I514 HydrophobicContact CB-CB 4.44Å; A478-I514 HydrophobicContact CB-CD1 4.08Å; A478-I514 HydrophobicContact CB-CG1 3.85Å; A478-I514 HydrophobicContact CB-CG2 3.83Å; F483-I514 HydrophobicContact CD1-CG2 4.31Å; F483-I514 HydrophobicContact CE1-CG2 4.5Å; L490-I514 HydrophobicContact CD1-CD1 4.04Å; C510-I514 WeakPolarHBondContact O-CG1 3.49Å; C510-I514 PolarHBondContact O-N 3.12Å; D511-I514 PolarHBondContact O-N 3.26Å; I514-F516 VanDerWaalsContact C-N 3.34Å; I514-F516 PolarHBondContact O-N 2.96Å; I514-D517 PolarHBondContact O-N 3.31Å; I514-R518 WeakPolarHBondContact O-CB 3.43Å; I514-R518 PolarHBondContact O-N 3.44Å |
| 515 | Q | 97.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 42.8 Ų | 42.8 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 179.2 | -65.8 | -70 | 84.9 | 0 | 0 | 111.9 | D511 K513 A519 L531 | D511-Q515 WeakPolarHBondContact O-CB 3.17Å; D511-Q515 WeakPolarHBondContact O-CG 3.32Å; D511-Q515 PolarHBondContact O-N 2.96Å; K513-Q515 VanDerWaalsContact C-N 3.33Å; K513-Q515 PolarHBondContact O-N 3.02Å; Q515-A519 WeakPolarHBondContact O-CB 3.49Å; Q515-A519 PolarHBondContact O-N 3.2Å; Q515-L531 HydrophobicContact CB-CD1 3.87Å |
| 516 | F | 98.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -50.1 | 172.2 | 175.5 | -79.9 | 0 | 0 | 0 | 110.8 | Q512 K513 I514 R518 A519 M520 A528 L531 V532 I535 R546 V550 | Q512-F516 VanDerWaalsContact O-CB 3.24Å; Q512-F516 WeakPolarHBondContact O-CB 3.5Å; Q512-F516 PolarHBondContact O-N 3.38Å; K513-F516 WeakPolarHBondContact O-CB 3.38Å; K513-F516 PolarHBondContact O-N 2.98Å; I514-F516 VanDerWaalsContact C-N 3.34Å; I514-F516 PolarHBondContact O-N 2.96Å; F516-R518 VanDerWaalsContact C-N 3.28Å; F516-R518 PolarHBondContact O-N 3.1Å; F516-A519 PolarHBondContact O-N 3.41Å; F516-A519 VanDerWaalsContact O-N 3.14Å; F516-M520 HydrophobicContact CD1-CG 3.81Å; F516-M520 HydrophobicContact CE1-CG 3.45Å; F516-M520 VanDerWaalsContact CE1-CG 3.45Å; F516-M520 HydrophobicContact CE1-SD 4.31Å; F516-M520 HydrophobicContact CE2-CG 4.43Å; F516-M520 HydrophobicContact CG-CG 4.48Å; F516-M520 HydrophobicContact CZ-CG 3.79Å; F516-M520 HydrophobicContact CZ-SD 4.07Å; F516-M520 WeakPolarHBondContact O-CG 3.44Å; F516-M520 PolarHBondContact O-N 2.87Å; F516-A528 HydrophobicContact CD2-CB 3.98Å; F516-A528 WeakPolarHBondContact CD2-O 3.29Å; F516-A528 HydrophobicContact CE2-CB 3.98Å; F516-L531 HydrophobicContact CB-CD1 4.2Å; F516-V532 HydrophobicContact CD2-CG2 4.34Å; F516-V532 HydrophobicContact CE2-CG2 3.88Å; F516-I535 HydrophobicContact CB-CD1 4.11Å; F516-I535 HydrophobicContact CD2-CD1 4.43Å; F516-I535 HydrophobicContact CG-CD1 4.44Å; F516-R546 HydrophobicContact CD1-CG 4.35Å; F516-R546 HydrophobicContact CD2-CB 4.37Å; F516-R546 HydrophobicContact CE1-CB 4.13Å; F516-R546 HydrophobicContact CE1-CG 3.94Å; F516-R546 HydrophobicContact CE2-CB 3.75Å; F516-R546 HydrophobicContact CE2-CG 4.36Å; F516-R546 HydrophobicContact CZ-CB 3.6Å; F516-R546 HydrophobicContact CZ-CG 3.96Å; F516-V550 HydrophobicContact CE2-CG2 3.42Å; F516-V550 VanDerWaalsContact CE2-CG2 3.42Å; F516-V550 HydrophobicContact CZ-CG2 3.63Å |
| 517 | D | 96.4 | Very high | 95.2 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.4 | -40.2 | -178.2 | -65.7 | -26.7 | 0 | 0 | 0 | 110.5 | K513 I514 M520 N521 R546 | K513-D517 VanDerWaalsContact O-CG 3.27Å; K513-D517 PolarHBondContact O-N 3.15Å; I514-D517 PolarHBondContact O-N 3.31Å; D517-M520 PolarHBondContact O-N 3.37Å; D517-N521 WeakPolarHBondContact O-CB 3.35Å; D517-N521 PolarHBondContact O-N 2.82Å; D517-N521 PolarHBondContact O-ND2 3.25Å; D517-N521 VanDerWaalsContact O-ND2 3.13Å; D517-N521 PolarHBondContact O-OD1 3.02Å; D517-R546 IonicContact OD1-CZ 3.56Å; D517-R546 IonicContact OD1-NH1 3.08Å; D517-R546 PolarHBondContact OD1-NH1 3.19Å; D517-R546 IonicContact OD1-NH2 3.53Å; D517-R546 IonicContact OD2-NH1 3.55Å; D517-R546 IonicContact OD2-NH2 3.35Å |
| 518 | R | 95.7 | Very high | 95.2 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 173.2 | -171.1 | 177 | -176.8 | 175.4 | 2.9 | 112.6 | F483 I514 F516 M520 N521 D522 | F483-R518 HydrophobicContact CE1-CB 4.16Å; F483-R518 HydrophobicContact CE1-CG 4.43Å; F483-R518 HydrophobicContact CZ-CB 4.47Å; F483-R518 HydrophobicContact CZ-CG 4.5Å; I514-R518 WeakPolarHBondContact O-CB 3.43Å; I514-R518 PolarHBondContact O-N 3.44Å; F516-R518 VanDerWaalsContact C-N 3.28Å; F516-R518 PolarHBondContact O-N 3.1Å; R518-M520 VanDerWaalsContact C-N 3.32Å; R518-M520 PolarHBondContact O-N 2.87Å; R518-N521 PolarHBondContact O-N 3.45Å; R518-D522 PolarHBondContact O-N 2.9Å |
| 519 | A | 94.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q515 F516 G523 K524 L527 A528 | Q515-A519 WeakPolarHBondContact O-CB 3.49Å; Q515-A519 PolarHBondContact O-N 3.2Å; F516-A519 PolarHBondContact O-N 3.41Å; F516-A519 VanDerWaalsContact O-N 3.14Å; A519-G523 PolarHBondContact O-N 3.16Å; A519-K524 PolarHBondContact O-N 2.82Å; A519-L527 HydrophobicContact CB-CB 4.35Å; A519-L527 HydrophobicContact CB-CD2 4.17Å; A519-L527 HydrophobicContact CB-CG 4.24Å; A519-A528 HydrophobicContact CB-CB 4Å |
| 520 | M | 94.3 | Very high | 95.1 | Very high | 31 Ų | 31 | 44.5 Ų | 44.5 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 173.8 | -73.1 | -62.6 | -61.7 | 0 | 0 | 111.8 | F516 D517 R518 D522 G523 Y525 A528 V549 V550 A553 | F516-M520 HydrophobicContact CD1-CG 3.81Å; F516-M520 HydrophobicContact CE1-CG 3.45Å; F516-M520 VanDerWaalsContact CE1-CG 3.45Å; F516-M520 HydrophobicContact CE1-SD 4.31Å; F516-M520 HydrophobicContact CE2-CG 4.43Å; F516-M520 HydrophobicContact CG-CG 4.48Å; F516-M520 HydrophobicContact CZ-CG 3.79Å; F516-M520 HydrophobicContact CZ-SD 4.07Å; F516-M520 WeakPolarHBondContact O-CG 3.44Å; F516-M520 PolarHBondContact O-N 2.87Å; D517-M520 PolarHBondContact O-N 3.37Å; R518-M520 VanDerWaalsContact C-N 3.32Å; R518-M520 PolarHBondContact O-N 2.87Å; M520-D522 PolarHBondContact O-N 3.45Å; M520-G523 PolarHBondContact O-N 2.9Å; M520-Y525 HydrophobicContact CE-CD1 4.2Å; M520-Y525 HydrophobicContact CE-CE1 4.24Å; M520-Y525 HydrophobicContact SD-CD1 3.91Å; M520-Y525 HydrophobicContact SD-CE1 4.45Å; M520-A528 HydrophobicContact CG-CB 4.01Å; M520-A528 HydrophobicContact SD-CB 3.73Å; M520-V549 HydrophobicContact CE-CG1 3.81Å; M520-V550 HydrophobicContact SD-CG2 3.97Å; M520-A553 HydrophobicContact CE-CB 3.72Å |
| 521 | N | 92.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 177.9 | -67.2 | -24.4 | 0 | 0 | 0 | 112.5 | D517 R518 G523 L658 C706 | D517-N521 WeakPolarHBondContact O-CB 3.35Å; D517-N521 PolarHBondContact O-N 2.82Å; D517-N521 PolarHBondContact O-ND2 3.25Å; D517-N521 VanDerWaalsContact O-ND2 3.13Å; D517-N521 PolarHBondContact O-OD1 3.02Å; R518-N521 PolarHBondContact O-N 3.45Å; N521-G523 PolarHBondContact O-N 2.77Å; N521-L658 WeakPolarHBondContact OD1-CD1 3.48Å; N521-C706 WeakPolarHBondContact O-CA 3.35Å |
| 522 | D | 90.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -2.4 | 177.9 | -165.6 | 28.4 | 0 | 0 | 0 | 113.2 | R518 M520 K524 | R518-D522 PolarHBondContact O-N 2.9Å; M520-D522 PolarHBondContact O-N 3.45Å; D522-K524 HydrophobicContact CB-CG 4.49Å; D522-K524 PolarHBondContact O-N 3.46Å; D522-K524 WeakPolarHBondContact OD2-CD 3.44Å; D522-K524 WeakPolarHBondContact OD2-CE 3.41Å; D522-K524 IonicContact OD2-NZ 2.76Å; D522-K524 PolarHBondContact OD2-NZ 3.34Å |
| 523 | G | 88.5 | Confident | 95 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 10.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A519 M520 N521 Y525 | A519-G523 PolarHBondContact O-N 3.16Å; M520-G523 PolarHBondContact O-N 2.9Å; N521-G523 PolarHBondContact O-N 2.77Å; G523-Y525 VanDerWaalsContact C-N 3.28Å; G523-Y525 PolarHBondContact O-N 3.49Å |
| 524 | K | 90.7 | Very high | 94.9 | Very high | 95 Ų | 95 | 46.9 Ų | 46.9 | 41% | 0.413 | 25% | 0.245 | S | C | . | . | trans | -85.2 | 66.1 | 179.5 | -69.5 | -179.9 | 179.5 | 147.7 | 0 | 111.1 | A519 D522 H526 L527 A528 | A519-K524 PolarHBondContact O-N 2.82Å; D522-K524 HydrophobicContact CB-CG 4.49Å; D522-K524 PolarHBondContact O-N 3.46Å; D522-K524 WeakPolarHBondContact OD2-CD 3.44Å; D522-K524 WeakPolarHBondContact OD2-CE 3.41Å; D522-K524 IonicContact OD2-NZ 2.76Å; D522-K524 PolarHBondContact OD2-NZ 3.34Å; K524-H526 VanDerWaalsContact C-N 3.27Å; K524-H526 PolarHBondContact O-N 3.38Å; K524-L527 HydrophobicContact CB-CB 4.16Å; K524-L527 WeakPolarHBondContact O-CB 3.46Å; K524-L527 PolarHBondContact O-N 3.25Å; K524-A528 PolarHBondContact O-N 3.36Å; K524-A528 VanDerWaalsContact O-N 3.08Å | ||
| 525 | Y | 91.7 | Very high | 94.9 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -28.1 | -173.1 | -49.5 | -43.4 | 0 | 0 | 0 | 114.4 | M520 G523 A528 D529 A553 Q554 E708 H747 | M520-Y525 HydrophobicContact CE-CD1 4.2Å; M520-Y525 HydrophobicContact CE-CE1 4.24Å; M520-Y525 HydrophobicContact SD-CD1 3.91Å; M520-Y525 HydrophobicContact SD-CE1 4.45Å; G523-Y525 VanDerWaalsContact C-N 3.28Å; G523-Y525 PolarHBondContact O-N 3.49Å; Y525-A528 PolarHBondContact O-N 2.84Å; Y525-D529 WeakPolarHBondContact O-CB 3.37Å; Y525-D529 PolarHBondContact O-N 3.01Å; Y525-A553 HydrophobicContact CD1-CB 3.79Å; Y525-A553 HydrophobicContact CD2-CB 4.28Å; Y525-A553 HydrophobicContact CE1-CB 3.61Å; Y525-A553 HydrophobicContact CE2-CB 4.06Å; Y525-A553 HydrophobicContact CG-CB 4.13Å; Y525-Q554 HydrophobicContact CD2-CG 4.29Å; Y525-Q554 HydrophobicContact CG-CG 4.48Å; Y525-E708 VanDerWaalsContact OH-CD 3.27Å; Y525-E708 PolarHBondContact OH-OE1 3.33Å; Y525-E708 PolarHBondContact OH-OE2 2.96Å; Y525-H747 AromaticContact CD2-CD2 4Å; Y525-H747 AromaticContact CD2-NE2 3.74Å; Y525-H747 AromaticContact CE2-CD2 3.47Å; Y525-H747 VanDerWaalsContact CE2-CD2 3.47Å; Y525-H747 WeakPolarHBondContact CE2-CD2 3.46Å; Y525-H747 AromaticContact CE2-NE2 3.67Å |
| 526 | H | 91.7 | Very high | 94.9 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 64% | 0.644 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.5 | -39.7 | 174.7 | 62.9 | -81 | 0 | 0 | 0 | 111.7 | K524 D529 S530 | K524-H526 VanDerWaalsContact C-N 3.27Å; K524-H526 PolarHBondContact O-N 3.38Å; H526-D529 PolarHBondContact O-N 2.94Å; H526-S530 PolarHBondContact O-N 3.4Å; H526-S530 VanDerWaalsContact O-N 3.14Å |
| 527 | L | 94 | Very high | 94.8 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 175.6 | -178.2 | 63.3 | 0 | 0 | 0 | 110.3 | A519 K524 D529 S530 L531 | A519-L527 HydrophobicContact CB-CB 4.35Å; A519-L527 HydrophobicContact CB-CD2 4.17Å; A519-L527 HydrophobicContact CB-CG 4.24Å; K524-L527 HydrophobicContact CB-CB 4.16Å; K524-L527 WeakPolarHBondContact O-CB 3.46Å; K524-L527 PolarHBondContact O-N 3.25Å; L527-D529 VanDerWaalsContact C-N 3.28Å; L527-D529 PolarHBondContact O-N 3.26Å; L527-S530 PolarHBondContact O-N 3.37Å; L527-S530 PolarHBondContact O-OG 3.49Å; L527-L531 PolarHBondContact O-N 3.05Å |
| 528 | A | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F516 A519 M520 K524 Y525 S530 L531 V532 V550 | F516-A528 HydrophobicContact CD2-CB 3.98Å; F516-A528 WeakPolarHBondContact CD2-O 3.29Å; F516-A528 HydrophobicContact CE2-CB 3.98Å; A519-A528 HydrophobicContact CB-CB 4Å; M520-A528 HydrophobicContact CG-CB 4.01Å; M520-A528 HydrophobicContact SD-CB 3.73Å; K524-A528 PolarHBondContact O-N 3.36Å; K524-A528 VanDerWaalsContact O-N 3.08Å; Y525-A528 PolarHBondContact O-N 2.84Å; A528-S530 VanDerWaalsContact C-N 3.33Å; A528-S530 PolarHBondContact O-N 3.22Å; A528-L531 PolarHBondContact O-N 3.36Å; A528-V532 PolarHBondContact O-N 3.25Å; A528-V550 HydrophobicContact CB-CG2 4.02Å |
| 529 | D | 96.7 | Very high | 94.8 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 177.8 | -154.4 | 56.6 | 0 | 0 | 0 | 112.8 | Y525 H526 L527 L531 V532 K547 V550 | Y525-D529 WeakPolarHBondContact O-CB 3.37Å; Y525-D529 PolarHBondContact O-N 3.01Å; H526-D529 PolarHBondContact O-N 2.94Å; L527-D529 VanDerWaalsContact C-N 3.28Å; L527-D529 PolarHBondContact O-N 3.26Å; D529-L531 PolarHBondContact O-N 2.9Å; D529-V532 WeakPolarHBondContact O-CB 3.26Å; D529-V532 PolarHBondContact O-N 2.72Å; D529-K547 WeakPolarHBondContact OD1-CD 3.34Å; D529-K547 IonicContact OD1-NZ 3.55Å; D529-K547 PolarHBondContact OD1-NZ 3.11Å; D529-K547 IonicContact OD2-NZ 3.6Å; D529-K547 PolarHBondContact OD2-NZ 3.06Å; D529-V550 HydrophobicContact CB-CG1 3.99Å |
| 530 | S | 97 | Very high | 94.8 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -27.7 | 178 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | H526 L527 A528 T533 | H526-S530 PolarHBondContact O-N 3.4Å; H526-S530 VanDerWaalsContact O-N 3.14Å; L527-S530 PolarHBondContact O-N 3.37Å; L527-S530 PolarHBondContact O-OG 3.49Å; A528-S530 VanDerWaalsContact C-N 3.33Å; A528-S530 PolarHBondContact O-N 3.22Å; S530-T533 PolarHBondContact O-OG1 3.23Å; S530-T533 VanDerWaalsContact O-OG1 3.11Å |
| 531 | L | 98.1 | Very high | 95 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78.3 | -23.8 | 178.1 | -67.1 | 168.8 | 0 | 0 | 0 | 112.6 | Q515 F516 L527 A528 D529 T533 G534 I535 | Q515-L531 HydrophobicContact CB-CD1 3.87Å; F516-L531 HydrophobicContact CB-CD1 4.2Å; L527-L531 PolarHBondContact O-N 3.05Å; A528-L531 PolarHBondContact O-N 3.36Å; D529-L531 PolarHBondContact O-N 2.9Å; L531-T533 PolarHBondContact O-N 3.37Å; L531-G534 PolarHBondContact O-N 3.37Å; L531-I535 WeakPolarHBondContact O-CG1 3.31Å; L531-I535 PolarHBondContact O-N 2.75Å |
| 532 | V | 98.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -37 | -177.8 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | F516 A528 D529 I535 T536 G543 R546 K547 V550 | F516-V532 HydrophobicContact CD2-CG2 4.34Å; F516-V532 HydrophobicContact CE2-CG2 3.88Å; A528-V532 PolarHBondContact O-N 3.25Å; D529-V532 WeakPolarHBondContact O-CB 3.26Å; D529-V532 PolarHBondContact O-N 2.72Å; V532-I535 PolarHBondContact O-N 3.16Å; V532-T536 VanDerWaalsContact O-CB 3.32Å; V532-T536 WeakPolarHBondContact O-CB 3.46Å; V532-T536 PolarHBondContact O-N 2.62Å; V532-T536 PolarHBondContact O-OG1 3.01Å; V532-G543 WeakPolarHBondContact CG1-O 3.36Å; V532-R546 HydrophobicContact CG2-CB 4.48Å; V532-K547 HydrophobicContact CG1-CB 3.78Å; V532-K547 HydrophobicContact CG1-CD 4.21Å; V532-K547 HydrophobicContact CG1-CG 4.39Å; V532-V550 HydrophobicContact CG2-CG2 4.4Å |
| 533 | T | 95.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 47.5 Ų | 47.5 | 64% | 0.638 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | -179.6 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | S530 L531 T536 A537 | S530-T533 PolarHBondContact O-OG1 3.23Å; S530-T533 VanDerWaalsContact O-OG1 3.11Å; L531-T533 PolarHBondContact O-N 3.37Å; T533-T536 PolarHBondContact O-N 3.43Å; T533-A537 PolarHBondContact O-N 3.31Å |
| 534 | G | 96.4 | Very high | 96 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q512 L531 T536 A537 L538 | Q512-G534 PolarHBondContact OE1-O 2.66Å; L531-G534 PolarHBondContact O-N 3.37Å; G534-T536 VanDerWaalsContact C-N 3.3Å; G534-T536 PolarHBondContact O-N 3.34Å; G534-A537 WeakPolarHBondContact O-CB 3.33Å; G534-A537 PolarHBondContact O-N 2.78Å; G534-L538 PolarHBondContact O-N 3.35Å |
| 535 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 179.6 | -63.6 | 174.4 | 0 | 0 | 0 | 110 | L509 Q512 F516 L531 V532 A537 L538 N539 E542 | L509-I535 HydrophobicContact CD1-CG2 3.93Å; Q512-I535 HydrophobicContact CB-CD1 4.21Å; Q512-I535 HydrophobicContact CB-CG1 3.65Å; F516-I535 HydrophobicContact CB-CD1 4.11Å; F516-I535 HydrophobicContact CD2-CD1 4.43Å; F516-I535 HydrophobicContact CG-CD1 4.44Å; L531-I535 WeakPolarHBondContact O-CG1 3.31Å; L531-I535 PolarHBondContact O-N 2.75Å; V532-I535 PolarHBondContact O-N 3.16Å; I535-A537 VanDerWaalsContact C-N 3.31Å; I535-A537 PolarHBondContact O-N 2.91Å; I535-L538 PolarHBondContact O-N 3.43Å; I535-N539 CarbonylContact O-C 3.34Å; I535-N539 WeakPolarHBondContact O-CA 3.31Å; I535-N539 PolarHBondContact O-N 3.46Å; I535-E542 HydrophobicContact CG2-CB 4.03Å; I535-E542 HydrophobicContact CG2-CG 3.72Å |
| 536 | T | 98 | Very high | 96.7 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 179.2 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | V532 T533 G534 L538 N539 S540 G543 | V532-T536 VanDerWaalsContact O-CB 3.32Å; V532-T536 WeakPolarHBondContact O-CB 3.46Å; V532-T536 PolarHBondContact O-N 2.62Å; V532-T536 PolarHBondContact O-OG1 3.01Å; T533-T536 PolarHBondContact O-N 3.43Å; G534-T536 VanDerWaalsContact C-N 3.3Å; G534-T536 PolarHBondContact O-N 3.34Å; T536-L538 VanDerWaalsContact C-N 3.31Å; T536-L538 PolarHBondContact O-N 3.29Å; T536-N539 CarbonylContact O-C 3.59Å; T536-S540 WeakPolarHBondContact O-CA 3.14Å; T536-S540 PolarHBondContact O-N 3.41Å; T536-G543 WeakPolarHBondContact OG1-CA 3.17Å |
| 537 | A | 95.9 | Very high | 97 | Very high | 88 Ų | 88 | 42.8 Ų | 42.8 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.6 | -34.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T533 G534 I535 | T533-A537 PolarHBondContact O-N 3.31Å; G534-A537 WeakPolarHBondContact O-CB 3.33Å; G534-A537 PolarHBondContact O-N 2.78Å; I535-A537 VanDerWaalsContact C-N 3.31Å; I535-A537 PolarHBondContact O-N 2.91Å |
| 538 | L | 95 | Very high | 97.2 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 28% | 0.277 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -87.1 | -37.4 | 179.2 | -63.7 | 168.8 | 0 | 0 | 0 | 112.5 | Q505 M508 L509 G534 I535 T536 | Q505-L538 HydrophobicContact CB-CD2 4.03Å; Q505-L538 HydrophobicContact CG-CD2 4.02Å; M508-L538 HydrophobicContact CB-CD1 3.77Å; L509-L538 HydrophobicContact CB-CB 4.26Å; L509-L538 HydrophobicContact CB-CD1 3.98Å; L509-L538 HydrophobicContact CD1-CB 4.16Å; G534-L538 PolarHBondContact O-N 3.35Å; I535-L538 PolarHBondContact O-N 3.43Å; T536-L538 VanDerWaalsContact C-N 3.31Å; T536-L538 PolarHBondContact O-N 3.29Å |
| 539 | N | 96.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | trans | -149.7 | 99.9 | 178.4 | -174.9 | -31.5 | 0 | 0 | 0 | 110.3 | L509 I535 T536 I541 E542 G543 | L509-N539 HydrophobicContact CD1-CB 4.24Å; L509-N539 HydrophobicContact CD2-CB 4.02Å; I535-N539 CarbonylContact O-C 3.34Å; I535-N539 WeakPolarHBondContact O-CA 3.31Å; I535-N539 PolarHBondContact O-N 3.46Å; T536-N539 CarbonylContact O-C 3.59Å; N539-I541 VanDerWaalsContact C-N 3.33Å; N539-I541 PolarHBondContact O-N 3.31Å; N539-I541 PolarHBondContact OD1-N 3.26Å; N539-E542 HydrophobicContact CB-CB 3.95Å; N539-E542 PolarHBondContact O-N 2.89Å; N539-E542 PolarHBondContact OD1-N 3.39Å; N539-G543 PolarHBondContact O-N 3.46Å | ||
| 540 | S | 96.2 | Very high | 97.1 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.8 | -39.8 | -177 | 179.4 | 0 | 0 | 0 | 0 | 113.6 | T536 G543 V544 | T536-S540 WeakPolarHBondContact O-CA 3.14Å; T536-S540 PolarHBondContact O-N 3.41Å; S540-G543 PolarHBondContact O-N 3.11Å; S540-V544 VanDerWaalsContact O-CG2 3.31Å; S540-V544 WeakPolarHBondContact O-CG2 3.4Å; S540-V544 PolarHBondContact O-N 2.99Å |
| 541 | I | 97.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | -178.9 | -65.2 | 174.4 | 0 | 0 | 0 | 110.2 | N539 G543 V544 Y545 L567 L574 M579 | N539-I541 VanDerWaalsContact C-N 3.33Å; N539-I541 PolarHBondContact O-N 3.31Å; N539-I541 PolarHBondContact OD1-N 3.26Å; I541-G543 VanDerWaalsContact C-N 3.34Å; I541-V544 PolarHBondContact O-N 2.99Å; I541-Y545 PolarHBondContact O-N 3.38Å; I541-Y545 VanDerWaalsContact O-N 3.07Å; I541-L567 HydrophobicContact CG2-CD1 4.14Å; I541-L574 HydrophobicContact CD1-CD1 3.62Å; I541-M579 HydrophobicContact CG2-CB 4.36Å; I541-M579 HydrophobicContact CG2-CE 4.12Å; I541-M579 HydrophobicContact CG2-CG 3.65Å; I541-M579 HydrophobicContact CG2-SD 4.4Å |
| 542 | E | 97.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 34 Ų | 34 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 178 | -173.6 | 67.6 | -171.8 | 0 | 0 | 111.4 | I535 N539 Y545 R546 M579 | I535-E542 HydrophobicContact CG2-CB 4.03Å; I535-E542 HydrophobicContact CG2-CG 3.72Å; N539-E542 HydrophobicContact CB-CB 3.95Å; N539-E542 PolarHBondContact O-N 2.89Å; N539-E542 PolarHBondContact OD1-N 3.39Å; E542-Y545 PolarHBondContact O-N 3.48Å; E542-R546 WeakPolarHBondContact O-CB 3.5Å; E542-R546 WeakPolarHBondContact O-CG 3.44Å; E542-R546 PolarHBondContact O-N 3.33Å; E542-R546 IonicContact OE1-CZ 2.8Å; E542-R546 IonicContact OE1-NE 2.71Å; E542-R546 PolarHBondContact OE1-NE 3.03Å; E542-R546 IonicContact OE1-NH2 2.65Å; E542-R546 PolarHBondContact OE1-NH2 3.44Å; E542-M579 WeakPolarHBondContact OE2-CE 3.44Å |
| 543 | G | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V532 T536 N539 S540 I541 Y545 R546 K547 | V532-G543 WeakPolarHBondContact CG1-O 3.36Å; T536-G543 WeakPolarHBondContact OG1-CA 3.17Å; N539-G543 PolarHBondContact O-N 3.46Å; S540-G543 PolarHBondContact O-N 3.11Å; I541-G543 VanDerWaalsContact C-N 3.34Å; G543-Y545 VanDerWaalsContact C-N 3.35Å; G543-Y545 PolarHBondContact O-N 2.93Å; G543-R546 PolarHBondContact O-N 3.35Å; G543-K547 WeakPolarHBondContact O-CB 3.39Å; G543-K547 PolarHBondContact O-N 3.14Å |
| 544 | V | 97.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64 | -40.2 | 177 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | S540 I541 K547 A548 L567 | S540-V544 VanDerWaalsContact O-CG2 3.31Å; S540-V544 WeakPolarHBondContact O-CG2 3.4Å; S540-V544 PolarHBondContact O-N 2.99Å; I541-V544 PolarHBondContact O-N 2.99Å; V544-K547 PolarHBondContact O-N 3.16Å; V544-A548 PolarHBondContact O-N 3.13Å; V544-A548 VanDerWaalsContact O-N 3.15Å; V544-L567 HydrophobicContact CB-CD1 4.3Å; V544-L567 HydrophobicContact CG1-CB 4.3Å; V544-L567 HydrophobicContact CG1-CD1 4.17Å; V544-L567 HydrophobicContact CG1-CD2 4.19Å; V544-L567 HydrophobicContact CG1-CG 4.46Å |
| 545 | Y | 98.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 14% | 0.137 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -52.3 | 175.4 | 175.3 | -110.9 | 0 | 0 | 0 | 111.3 | I541 E542 G543 K547 A548 V549 L564 L567 M579 V583 S586 | I541-Y545 PolarHBondContact O-N 3.38Å; I541-Y545 VanDerWaalsContact O-N 3.07Å; E542-Y545 PolarHBondContact O-N 3.48Å; G543-Y545 VanDerWaalsContact C-N 3.35Å; G543-Y545 PolarHBondContact O-N 2.93Å; Y545-K547 VanDerWaalsContact C-N 3.32Å; Y545-K547 PolarHBondContact O-N 2.89Å; Y545-A548 WeakPolarHBondContact O-CB 3.15Å; Y545-A548 PolarHBondContact O-N 3.16Å; Y545-V549 HydrophobicContact CD1-CG2 4.49Å; Y545-V549 HydrophobicContact CE1-CG2 4.02Å; Y545-V549 HydrophobicContact CE2-CG2 4.22Å; Y545-V549 PolarHBondContact O-N 3.18Å; Y545-L564 HydrophobicContact CD2-CD2 4.32Å; Y545-L567 HydrophobicContact CD2-CD2 4.38Å; Y545-M579 HydrophobicContact CD1-CE 4.29Å; Y545-M579 HydrophobicContact CD1-SD 4.19Å; Y545-M579 HydrophobicContact CD2-SD 3.81Å; Y545-M579 HydrophobicContact CG-CE 4.18Å; Y545-M579 HydrophobicContact CG-SD 3.62Å; Y545-V583 HydrophobicContact CD2-CG2 4Å; Y545-V583 HydrophobicContact CE2-CG2 4.44Å; Y545-S586 VanDerWaalsContact CE2-OG 3.27Å; Y545-S586 WeakPolarHBondContact CE2-OG 3.47Å; Y545-S586 PolarHBondContact OH-OG 2.96Å |
| 546 | R | 98.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 179.9 | -74.1 | -177.7 | -174.7 | -96.5 | -9.1 | 112.8 | K513 F516 D517 V532 E542 G543 A548 V549 V550 | K513-R546 PolarHBondContact O-NH1 3.05Å; F516-R546 HydrophobicContact CD1-CG 4.35Å; F516-R546 HydrophobicContact CD2-CB 4.37Å; F516-R546 HydrophobicContact CE1-CB 4.13Å; F516-R546 HydrophobicContact CE1-CG 3.94Å; F516-R546 HydrophobicContact CE2-CB 3.75Å; F516-R546 HydrophobicContact CE2-CG 4.36Å; F516-R546 HydrophobicContact CZ-CB 3.6Å; F516-R546 HydrophobicContact CZ-CG 3.96Å; D517-R546 IonicContact OD1-CZ 3.56Å; D517-R546 IonicContact OD1-NH1 3.08Å; D517-R546 PolarHBondContact OD1-NH1 3.19Å; D517-R546 IonicContact OD1-NH2 3.53Å; D517-R546 IonicContact OD2-NH1 3.55Å; D517-R546 IonicContact OD2-NH2 3.35Å; V532-R546 HydrophobicContact CG2-CB 4.48Å; E542-R546 WeakPolarHBondContact O-CB 3.5Å; E542-R546 WeakPolarHBondContact O-CG 3.44Å; E542-R546 PolarHBondContact O-N 3.33Å; E542-R546 IonicContact OE1-CZ 2.8Å; E542-R546 IonicContact OE1-NE 2.71Å; E542-R546 PolarHBondContact OE1-NE 3.03Å; E542-R546 IonicContact OE1-NH2 2.65Å; E542-R546 PolarHBondContact OE1-NH2 3.44Å; G543-R546 PolarHBondContact O-N 3.35Å; R546-A548 VanDerWaalsContact C-N 3.3Å; R546-A548 PolarHBondContact O-N 2.99Å; R546-V549 PolarHBondContact O-N 3.02Å; R546-V550 WeakPolarHBondContact O-CG2 3.09Å; R546-V550 PolarHBondContact O-N 2.85Å |
| 547 | K | 98.2 | Very high | 94.5 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 170.6 | -173.2 | 52.6 | 175.5 | 179.4 | 0 | 111.2 | D529 V532 G543 V544 Y545 V549 V550 L551 L563 | D529-K547 WeakPolarHBondContact OD1-CD 3.34Å; D529-K547 IonicContact OD1-NZ 3.55Å; D529-K547 PolarHBondContact OD1-NZ 3.11Å; D529-K547 IonicContact OD2-NZ 3.6Å; D529-K547 PolarHBondContact OD2-NZ 3.06Å; V532-K547 HydrophobicContact CG1-CB 3.78Å; V532-K547 HydrophobicContact CG1-CD 4.21Å; V532-K547 HydrophobicContact CG1-CG 4.39Å; G543-K547 WeakPolarHBondContact O-CB 3.39Å; G543-K547 PolarHBondContact O-N 3.14Å; V544-K547 PolarHBondContact O-N 3.16Å; Y545-K547 VanDerWaalsContact C-N 3.32Å; Y545-K547 PolarHBondContact O-N 2.89Å; K547-V549 VanDerWaalsContact C-N 3.34Å; K547-V549 PolarHBondContact O-N 3.48Å; K547-V550 PolarHBondContact O-N 3.37Å; K547-L551 HydrophobicContact CG-CD1 4.28Å; K547-L551 VanDerWaalsContact O-CG 3.29Å; K547-L551 WeakPolarHBondContact O-CG 3.28Å; K547-L551 PolarHBondContact O-N 2.93Å; K547-L563 HydrophobicContact CB-CD1 4.44Å; K547-L563 HydrophobicContact CG-CD1 3.93Å |
| 548 | A | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V544 Y545 R546 V550 L551 Q552 L563 L564 | V544-A548 PolarHBondContact O-N 3.13Å; V544-A548 VanDerWaalsContact O-N 3.15Å; Y545-A548 WeakPolarHBondContact O-CB 3.15Å; Y545-A548 PolarHBondContact O-N 3.16Å; R546-A548 VanDerWaalsContact C-N 3.3Å; R546-A548 PolarHBondContact O-N 2.99Å; A548-V550 PolarHBondContact O-N 3.26Å; A548-L551 PolarHBondContact O-N 2.74Å; A548-Q552 VanDerWaalsContact O-CG 3.29Å; A548-Q552 WeakPolarHBondContact O-CG 3.46Å; A548-Q552 PolarHBondContact O-N 3.05Å; A548-L563 HydrophobicContact CB-CB 4.32Å; A548-L564 HydrophobicContact CB-CD1 4.28Å; A548-L564 HydrophobicContact CB-CD2 3.68Å; A548-L564 HydrophobicContact CB-CG 3.67Å |
| 549 | V | 95.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | M520 Y545 R546 K547 Q552 A553 | M520-V549 HydrophobicContact CE-CG1 3.81Å; Y545-V549 HydrophobicContact CD1-CG2 4.49Å; Y545-V549 HydrophobicContact CE1-CG2 4.02Å; Y545-V549 HydrophobicContact CE2-CG2 4.22Å; Y545-V549 PolarHBondContact O-N 3.18Å; R546-V549 PolarHBondContact O-N 3.02Å; K547-V549 VanDerWaalsContact C-N 3.34Å; K547-V549 PolarHBondContact O-N 3.48Å; V549-Q552 WeakPolarHBondContact O-CB 3.27Å; V549-Q552 PolarHBondContact O-N 3.02Å; V549-A553 PolarHBondContact O-N 3.25Å |
| 550 | V | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 174.1 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | F516 M520 A528 D529 V532 R546 K547 A548 Q552 A553 Q554 | F516-V550 HydrophobicContact CE2-CG2 3.42Å; F516-V550 VanDerWaalsContact CE2-CG2 3.42Å; F516-V550 HydrophobicContact CZ-CG2 3.63Å; M520-V550 HydrophobicContact SD-CG2 3.97Å; A528-V550 HydrophobicContact CB-CG2 4.02Å; D529-V550 HydrophobicContact CB-CG1 3.99Å; V532-V550 HydrophobicContact CG2-CG2 4.4Å; R546-V550 WeakPolarHBondContact O-CG2 3.09Å; R546-V550 PolarHBondContact O-N 2.85Å; K547-V550 PolarHBondContact O-N 3.37Å; A548-V550 PolarHBondContact O-N 3.26Å; V550-Q552 VanDerWaalsContact C-N 3.27Å; V550-Q552 PolarHBondContact O-N 3.06Å; V550-A553 WeakPolarHBondContact O-CB 3.42Å; V550-A553 PolarHBondContact O-N 2.73Å; V550-A553 VanDerWaalsContact O-N 3.1Å; V550-Q554 HydrophobicContact CG1-CG 4.3Å; V550-Q554 WeakPolarHBondContact O-CG 3.32Å; V550-Q554 PolarHBondContact O-N 3.03Å |
| 551 | L | 94 | Very high | 94 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 178 | -67.8 | 170.3 | 0 | 0 | 0 | 111.8 | K547 A548 Q554 N555 Q556 E559 A560 L563 | K547-L551 HydrophobicContact CG-CD1 4.28Å; K547-L551 VanDerWaalsContact O-CG 3.29Å; K547-L551 WeakPolarHBondContact O-CG 3.28Å; K547-L551 PolarHBondContact O-N 2.93Å; A548-L551 PolarHBondContact O-N 2.74Å; L551-Q554 CarbonylContact O-C 3.58Å; L551-Q554 PolarHBondContact O-N 3.2Å; L551-N555 PolarHBondContact O-N 3.35Å; L551-Q556 HydrophobicContact CB-CB 4.32Å; L551-Q556 HydrophobicContact CD2-CB 4.19Å; L551-Q556 PolarHBondContact O-N 3.31Å; L551-E559 HydrophobicContact CD1-CB 4.2Å; L551-A560 HydrophobicContact CB-CB 3.85Å; L551-L563 HydrophobicContact CD1-CD1 3.57Å |
| 552 | Q | 90.6 | Very high | 94 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 172.2 | -71.6 | 176.4 | -22.5 | 0 | 0 | 111.2 | A548 V549 V550 Q554 N555 A560 S586 L590 R593 | A548-Q552 VanDerWaalsContact O-CG 3.29Å; A548-Q552 WeakPolarHBondContact O-CG 3.46Å; A548-Q552 PolarHBondContact O-N 3.05Å; V549-Q552 WeakPolarHBondContact O-CB 3.27Å; V549-Q552 PolarHBondContact O-N 3.02Å; V550-Q552 VanDerWaalsContact C-N 3.27Å; V550-Q552 PolarHBondContact O-N 3.06Å; Q552-Q554 VanDerWaalsContact C-N 3.28Å; Q552-Q554 PolarHBondContact O-N 3.1Å; Q552-N555 PolarHBondContact O-N 3.35Å; Q552-A560 HydrophobicContact CG-CB 3.77Å; Q552-S586 PolarHBondContact NE2-O 3.27Å; Q552-L590 HydrophobicContact CG-CD1 4.47Å; Q552-L590 HydrophobicContact CG-CD2 3.75Å; Q552-L590 HydrophobicContact CG-CG 4.12Å; Q552-R593 PolarHBondContact O-NH1 3.47Å |
| 553 | A | 88.1 | Confident | 94 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M520 Y525 V549 V550 N555 | M520-A553 HydrophobicContact CE-CB 3.72Å; Y525-A553 HydrophobicContact CD1-CB 3.79Å; Y525-A553 HydrophobicContact CD2-CB 4.28Å; Y525-A553 HydrophobicContact CE1-CB 3.61Å; Y525-A553 HydrophobicContact CE2-CB 4.06Å; Y525-A553 HydrophobicContact CG-CB 4.13Å; V549-A553 PolarHBondContact O-N 3.25Å; V550-A553 WeakPolarHBondContact O-CB 3.42Å; V550-A553 PolarHBondContact O-N 2.73Å; V550-A553 VanDerWaalsContact O-N 3.1Å; A553-N555 PolarHBondContact O-N 3.44Å |
| 554 | Q | 89.4 | Confident | 94 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 6.7 | 174.2 | -65.3 | 176.2 | -1.2 | 0 | 0 | 114.4 | Y525 V550 L551 Q552 Q556 | Y525-Q554 HydrophobicContact CD2-CG 4.29Å; Y525-Q554 HydrophobicContact CG-CG 4.48Å; V550-Q554 HydrophobicContact CG1-CG 4.3Å; V550-Q554 WeakPolarHBondContact O-CG 3.32Å; V550-Q554 PolarHBondContact O-N 3.03Å; L551-Q554 CarbonylContact O-C 3.58Å; L551-Q554 PolarHBondContact O-N 3.2Å; Q552-Q554 VanDerWaalsContact C-N 3.28Å; Q552-Q554 PolarHBondContact O-N 3.1Å; Q554-Q556 HydrophobicContact CB-CG 4.43Å; Q554-Q556 PolarHBondContact O-N 2.98Å |
| 555 | N | 86.9 | Confident | 93.9 | Very high | 59 Ų | 59 | 42.2 Ų | 42.2 | 32% | 0.316 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 19.7 | -179.6 | -155 | 43.1 | 0 | 0 | 0 | 115.1 | L551 Q552 A553 M557 | L551-N555 PolarHBondContact O-N 3.35Å; Q552-N555 PolarHBondContact O-N 3.35Å; A553-N555 PolarHBondContact O-N 3.44Å; N555-M557 VanDerWaalsContact C-N 3.29Å; N555-M557 PolarHBondContact O-N 3.04Å; N555-M557 VanDerWaalsContact O-N 3.1Å; N555-M557 WeakPolarHBondContact OD1-CE 3.37Å |
| 556 | Q | 90.4 | Very high | 93.8 | Very high | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | trans | -86.3 | 66.7 | 174.9 | -64.6 | -170.7 | -13.5 | 0 | 0 | 110.8 | L551 Q554 S558 A560 | L551-Q556 HydrophobicContact CB-CB 4.32Å; L551-Q556 HydrophobicContact CD2-CB 4.19Å; L551-Q556 PolarHBondContact O-N 3.31Å; Q554-Q556 HydrophobicContact CB-CG 4.43Å; Q554-Q556 PolarHBondContact O-N 2.98Å; Q556-S558 PolarHBondContact O-N 2.76Å; Q556-A560 WeakPolarHBondContact O-CB 3.23Å; Q556-A560 PolarHBondContact O-N 3.45Å; Q556-A560 VanDerWaalsContact O-N 3.15Å | ||
| 557 | M | 88.1 | Confident | 93.8 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 32% | 0.32 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -38.7 | -168.7 | -57 | -174.4 | -153.3 | 0 | 0 | 114 | N555 H561 L590 R593 | N555-M557 VanDerWaalsContact C-N 3.29Å; N555-M557 PolarHBondContact O-N 3.04Å; N555-M557 VanDerWaalsContact O-N 3.1Å; N555-M557 WeakPolarHBondContact OD1-CE 3.37Å; M557-H561 WeakPolarHBondContact O-CB 3.41Å; M557-H561 PolarHBondContact O-N 3.15Å; M557-L590 HydrophobicContact CB-CD2 4.07Å; M557-L590 HydrophobicContact CG-CD2 4.21Å; M557-R593 HydrophobicContact CE-CB 4.21Å; M557-R593 HydrophobicContact SD-CB 4.33Å |
| 558 | S | 91.3 | Very high | 93.7 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 55% | 0.552 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67.7 | -45.7 | -175.5 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | Q556 H561 K562 | Q556-S558 PolarHBondContact O-N 2.76Å; S558-H561 PolarHBondContact O-N 3.42Å; S558-K562 WeakPolarHBondContact O-CG 3.47Å; S558-K562 PolarHBondContact O-N 2.93Å; S558-K562 VanDerWaalsContact O-N 3.11Å |
| 559 | E | 94.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 48.8 Ų | 48.8 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.7 | -40.8 | 177.5 | -68.6 | -54.1 | 128.5 | 0 | 0 | 111.5 | L551 H561 K562 L563 | L551-E559 HydrophobicContact CD1-CB 4.2Å; E559-H561 VanDerWaalsContact C-N 3.33Å; E559-H561 PolarHBondContact O-N 2.85Å; E559-K562 PolarHBondContact O-N 2.72Å; E559-K562 IonicContact OE1-NZ 2.62Å; E559-K562 PolarHBondContact OE1-NZ 2.79Å; E559-L563 PolarHBondContact O-N 2.93Å; E559-L563 VanDerWaalsContact O-N 3.08Å |
| 560 | A | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L551 Q552 Q556 K562 L563 L564 L590 | L551-A560 HydrophobicContact CB-CB 3.85Å; Q552-A560 HydrophobicContact CG-CB 3.77Å; Q556-A560 WeakPolarHBondContact O-CB 3.23Å; Q556-A560 PolarHBondContact O-N 3.45Å; Q556-A560 VanDerWaalsContact O-N 3.15Å; A560-K562 PolarHBondContact O-N 3.17Å; A560-L563 PolarHBondContact O-N 3.07Å; A560-L564 WeakPolarHBondContact O-CG 3.33Å; A560-L564 PolarHBondContact O-N 3.33Å; A560-L590 HydrophobicContact CB-CD1 4.24Å; A560-L590 HydrophobicContact CB-CD2 4.43Å |
| 561 | H | 94.3 | Very high | 93.7 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 26% | 0.255 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 178.9 | -174.2 | 86.5 | 0 | 0 | 0 | 112.2 | M557 S558 E559 L563 L564 Q565 L590 Y591 | M557-H561 WeakPolarHBondContact O-CB 3.41Å; M557-H561 PolarHBondContact O-N 3.15Å; S558-H561 PolarHBondContact O-N 3.42Å; E559-H561 VanDerWaalsContact C-N 3.33Å; E559-H561 PolarHBondContact O-N 2.85Å; H561-L563 VanDerWaalsContact C-N 3.34Å; H561-L563 PolarHBondContact O-N 3.07Å; H561-L564 PolarHBondContact O-N 2.74Å; H561-Q565 PolarHBondContact CE1-NE2 3.14Å; H561-Q565 WeakPolarHBondContact NE2-CG 3.29Å; H561-Q565 WeakPolarHBondContact O-CG 3.12Å; H561-Q565 PolarHBondContact O-N 3.48Å; H561-L590 HydrophobicContact CB-CD1 4.03Å; H561-Y591 PolarHBondContact CE1-OH 2.71Å |
| 562 | K | 96.3 | Very high | 93.8 | Very high | 108 Ų | 108 | 55.7 Ų | 55.7 | 47% | 0.47 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 177.9 | -72.8 | 172.6 | -170.9 | 169.6 | 0 | 112 | S558 E559 A560 K566 | S558-K562 WeakPolarHBondContact O-CG 3.47Å; S558-K562 PolarHBondContact O-N 2.93Å; S558-K562 VanDerWaalsContact O-N 3.11Å; E559-K562 PolarHBondContact O-N 2.72Å; E559-K562 IonicContact OE1-NZ 2.62Å; E559-K562 PolarHBondContact OE1-NZ 2.79Å; A560-K562 PolarHBondContact O-N 3.17Å; K562-K566 WeakPolarHBondContact O-CG 3.48Å; K562-K566 PolarHBondContact O-N 2.96Å |
| 563 | L | 97.1 | Very high | 93.8 | Very high | 50 Ų | 50 | 63 Ų | 63 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 178.1 | -72.4 | -178.9 | 0 | 0 | 0 | 111.6 | K547 A548 L551 E559 A560 H561 Q565 K566 L567 | K547-L563 HydrophobicContact CB-CD1 4.44Å; K547-L563 HydrophobicContact CG-CD1 3.93Å; A548-L563 HydrophobicContact CB-CB 4.32Å; L551-L563 HydrophobicContact CD1-CD1 3.57Å; E559-L563 PolarHBondContact O-N 2.93Å; E559-L563 VanDerWaalsContact O-N 3.08Å; A560-L563 PolarHBondContact O-N 3.07Å; H561-L563 VanDerWaalsContact C-N 3.34Å; H561-L563 PolarHBondContact O-N 3.07Å; L563-Q565 PolarHBondContact O-N 3.07Å; L563-K566 PolarHBondContact O-N 3.06Å; L563-L567 WeakPolarHBondContact O-CB 3.42Å; L563-L567 PolarHBondContact O-N 2.85Å |
| 564 | L | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | -180 | -70.9 | 168.2 | 0 | 0 | 0 | 112.3 | Y545 A548 A560 H561 L567 L568 V583 V587 L590 | Y545-L564 HydrophobicContact CD2-CD2 4.32Å; A548-L564 HydrophobicContact CB-CD1 4.28Å; A548-L564 HydrophobicContact CB-CD2 3.68Å; A548-L564 HydrophobicContact CB-CG 3.67Å; A560-L564 WeakPolarHBondContact O-CG 3.33Å; A560-L564 PolarHBondContact O-N 3.33Å; H561-L564 PolarHBondContact O-N 2.74Å; L564-L567 PolarHBondContact O-N 3.25Å; L564-L568 WeakPolarHBondContact O-CB 3.39Å; L564-L568 PolarHBondContact O-N 2.97Å; L564-V583 HydrophobicContact CB-CG1 4.13Å; L564-V583 HydrophobicContact CD2-CG1 4.05Å; L564-V583 HydrophobicContact CD2-CG2 4.26Å; L564-V583 WeakPolarHBondContact O-CG1 3.24Å; L564-V587 HydrophobicContact CB-CG2 3.64Å; L564-V587 HydrophobicContact CD1-CG2 3.85Å; L564-V587 HydrophobicContact CG-CG2 4.3Å; L564-L590 HydrophobicContact CD1-CD1 3.79Å |
| 565 | Q | 95.8 | Very high | 93.7 | Very high | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177 | -71.8 | -63.2 | -18.9 | 0 | 0 | 112.3 | H561 L563 L567 L568 V569 | H561-Q565 PolarHBondContact CE1-NE2 3.14Å; H561-Q565 WeakPolarHBondContact NE2-CG 3.29Å; H561-Q565 WeakPolarHBondContact O-CG 3.12Å; H561-Q565 PolarHBondContact O-N 3.48Å; L563-Q565 PolarHBondContact O-N 3.07Å; Q565-L567 VanDerWaalsContact C-N 3.33Å; Q565-L567 PolarHBondContact O-N 2.72Å; Q565-L568 PolarHBondContact O-N 3.24Å; Q565-V569 WeakPolarHBondContact O-CG2 3.32Å; Q565-V569 PolarHBondContact O-N 3.33Å |
| 566 | K | 96.8 | Very high | 93.9 | Very high | 155 Ų | 155 | 72.2 Ų | 72.2 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 174.9 | -73 | 177.8 | 179.4 | -179.9 | 0 | 111.3 | K562 L563 H570 | K562-K566 WeakPolarHBondContact O-CG 3.48Å; K562-K566 PolarHBondContact O-N 2.96Å; L563-K566 PolarHBondContact O-N 3.06Å; K566-H570 PolarHBondContact O-N 3.49Å; K566-H570 VanDerWaalsContact O-N 3.14Å |
| 567 | L | 97.6 | Very high | 94 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 179.3 | -172.9 | 62.8 | 0 | 0 | 0 | 111.9 | I541 V544 Y545 L563 L564 Q565 H570 C571 M579 V583 | I541-L567 HydrophobicContact CG2-CD1 4.14Å; V544-L567 HydrophobicContact CB-CD1 4.3Å; V544-L567 HydrophobicContact CG1-CB 4.3Å; V544-L567 HydrophobicContact CG1-CD1 4.17Å; V544-L567 HydrophobicContact CG1-CD2 4.19Å; V544-L567 HydrophobicContact CG1-CG 4.46Å; Y545-L567 HydrophobicContact CD2-CD2 4.38Å; L563-L567 WeakPolarHBondContact O-CB 3.42Å; L563-L567 PolarHBondContact O-N 2.85Å; L564-L567 PolarHBondContact O-N 3.25Å; Q565-L567 VanDerWaalsContact C-N 3.33Å; Q565-L567 PolarHBondContact O-N 2.72Å; L567-H570 PolarHBondContact O-N 3.05Å; L567-C571 WeakPolarHBondContact O-CB 3.2Å; L567-C571 PolarHBondContact O-N 3.26Å; L567-C571 PolarHBondContact O-SG 3.37Å; L567-M579 HydrophobicContact CD2-SD 4.44Å; L567-V583 HydrophobicContact CD2-CG2 3.68Å; L567-V583 HydrophobicContact CG-CG2 4.05Å |
| 568 | L | 97.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 68.9 Ų | 68.9 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.1 | -51.5 | 177.8 | -176.8 | 59.3 | 0 | 0 | 0 | 111.1 | L564 Q565 H570 C571 Q572 V580 V583 L584 | L564-L568 WeakPolarHBondContact O-CB 3.39Å; L564-L568 PolarHBondContact O-N 2.97Å; Q565-L568 PolarHBondContact O-N 3.24Å; L568-H570 VanDerWaalsContact C-N 3.27Å; L568-H570 PolarHBondContact O-N 2.98Å; L568-C571 PolarHBondContact O-N 3.39Å; L568-Q572 HydrophobicContact CD1-CG 4.37Å; L568-Q572 WeakPolarHBondContact O-CB 3.25Å; L568-Q572 VanDerWaalsContact O-CG 3.26Å; L568-Q572 WeakPolarHBondContact O-CG 3.23Å; L568-Q572 PolarHBondContact O-N 2.83Å; L568-V580 HydrophobicContact CD1-CB 4.49Å; L568-V580 HydrophobicContact CD1-CG1 3.93Å; L568-V580 HydrophobicContact CD1-CG2 4.49Å; L568-V583 HydrophobicContact CB-CG1 3.79Å; L568-V583 HydrophobicContact CD1-CB 4.47Å; L568-V583 HydrophobicContact CD1-CG1 4.14Å; L568-V583 HydrophobicContact CG-CG1 4.45Å; L568-L584 HydrophobicContact CD1-CD2 4.24Å; L568-L584 HydrophobicContact CD1-CG 4.29Å; L568-L584 HydrophobicContact CD2-CD2 4.11Å |
| 569 | V | 96.6 | Very high | 94.6 | Very high | 71 Ų | 71 | 65.8 Ų | 65.8 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 178.2 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | Q565 K573 | Q565-V569 WeakPolarHBondContact O-CG2 3.32Å; Q565-V569 PolarHBondContact O-N 3.33Å; V569-K573 HydrophobicContact CG1-CD 4.5Å; V569-K573 WeakPolarHBondContact O-CG 3.36Å; V569-K573 PolarHBondContact O-N 2.86Å |
| 570 | H | 96.2 | Very high | 94.8 | Very high | 92 Ų | 92 | 62.1 Ų | 62.1 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 178.2 | -173.3 | 67.7 | 0 | 0 | 0 | 112.3 | K566 L567 L568 Q572 K573 L574 | K566-H570 PolarHBondContact O-N 3.49Å; K566-H570 VanDerWaalsContact O-N 3.14Å; L567-H570 PolarHBondContact O-N 3.05Å; L568-H570 VanDerWaalsContact C-N 3.27Å; L568-H570 PolarHBondContact O-N 2.98Å; H570-Q572 PolarHBondContact O-N 3.45Å; H570-K573 WeakPolarHBondContact O-CB 3.43Å; H570-K573 PolarHBondContact O-N 3.42Å; H570-L574 VanDerWaalsContact NE2-CD1 3.33Å; H570-L574 WeakPolarHBondContact NE2-CD1 3.34Å; H570-L574 PolarHBondContact O-N 2.91Å; H570-L574 VanDerWaalsContact O-N 3.07Å |
| 571 | C | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | L567 L568 L574 K575 N576 M579 V580 | L567-C571 WeakPolarHBondContact O-CB 3.2Å; L567-C571 PolarHBondContact O-N 3.26Å; L567-C571 PolarHBondContact O-SG 3.37Å; L568-C571 PolarHBondContact O-N 3.39Å; C571-L574 CarbonylContact O-C 3.54Å; C571-L574 PolarHBondContact O-N 2.81Å; C571-K575 PolarHBondContact O-N 3.42Å; C571-N576 HydrophobicContact CB-CB 4.48Å; C571-N576 PolarHBondContact O-N 3.05Å; C571-M579 HydrophobicContact CB-CG 4.45Å; C571-M579 WeakPolarHBondContact SG-CG 3.37Å; C571-V580 HydrophobicContact CB-CG2 3.67Å |
| 572 | Q | 94.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.5 | -75.5 | 173.8 | -17.2 | 0 | 0 | 111.8 | L568 H570 L574 K575 V580 | L568-Q572 HydrophobicContact CD1-CG 4.37Å; L568-Q572 WeakPolarHBondContact O-CB 3.25Å; L568-Q572 VanDerWaalsContact O-CG 3.26Å; L568-Q572 WeakPolarHBondContact O-CG 3.23Å; L568-Q572 PolarHBondContact O-N 2.83Å; H570-Q572 PolarHBondContact O-N 3.45Å; Q572-L574 VanDerWaalsContact C-N 3.34Å; Q572-L574 PolarHBondContact O-N 3.05Å; Q572-K575 PolarHBondContact O-N 3.22Å; Q572-V580 HydrophobicContact CG-CG1 4.43Å; Q572-V580 HydrophobicContact CG-CG2 3.87Å |
| 573 | K | 91.3 | Very high | 95.2 | Very high | 161 Ų | 161 | 55.3 Ų | 55.3 | 70% | 0.7 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | 175.5 | -72.2 | 174.2 | -178.2 | -177.4 | 0 | 112.3 | V569 H570 K575 | V569-K573 HydrophobicContact CG1-CD 4.5Å; V569-K573 WeakPolarHBondContact O-CG 3.36Å; V569-K573 PolarHBondContact O-N 2.86Å; H570-K573 WeakPolarHBondContact O-CB 3.43Å; H570-K573 PolarHBondContact O-N 3.42Å; K573-K575 VanDerWaalsContact C-N 3.27Å; K573-K575 PolarHBondContact O-N 2.88Å |
| 574 | L | 87.8 | Confident | 95.2 | Very high | 98 Ų | 98 | 53 Ų | 53 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79 | -7.3 | 177.3 | -67 | -179.5 | 0 | 0 | 0 | 113.9 | I541 H570 C571 Q572 N576 | I541-L574 HydrophobicContact CD1-CD1 3.62Å; H570-L574 VanDerWaalsContact NE2-CD1 3.33Å; H570-L574 WeakPolarHBondContact NE2-CD1 3.34Å; H570-L574 PolarHBondContact O-N 2.91Å; H570-L574 VanDerWaalsContact O-N 3.07Å; C571-L574 CarbonylContact O-C 3.54Å; C571-L574 PolarHBondContact O-N 2.81Å; Q572-L574 VanDerWaalsContact C-N 3.34Å; Q572-L574 PolarHBondContact O-N 3.05Å; L574-N576 PolarHBondContact O-N 3.08Å |
| 575 | K | 87 | Confident | 95.1 | Very high | 167 Ų | 167 | 53 Ų | 53 | 73% | 0.726 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 34.5 | -173 | -53.8 | -177 | 179.9 | -179.6 | 0 | 113.4 | C571 Q572 K573 T577 | C571-K575 PolarHBondContact O-N 3.42Å; Q572-K575 PolarHBondContact O-N 3.22Å; K573-K575 VanDerWaalsContact C-N 3.27Å; K573-K575 PolarHBondContact O-N 2.88Å; K575-T577 PolarHBondContact O-N 3Å |
| 576 | N | 91.1 | Very high | 95 | Very high | 54 Ų | 54 | 50 Ų | 50 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | trans | -84.5 | 84.9 | 172.9 | -174.4 | -17.6 | 0 | 0 | 0 | 109.8 | C571 L574 E578 M579 V580 | C571-N576 HydrophobicContact CB-CB 4.48Å; C571-N576 PolarHBondContact O-N 3.05Å; L574-N576 PolarHBondContact O-N 3.08Å; N576-E578 PolarHBondContact O-N 2.8Å; N576-M579 HydrophobicContact CB-CB 4.42Å; N576-M579 PolarHBondContact O-N 2.83Å; N576-M579 PolarHBondContact OD1-N 3.27Å; N576-V580 VanDerWaalsContact O-CG2 3.31Å; N576-V580 WeakPolarHBondContact O-CG2 3.29Å; N576-V580 PolarHBondContact O-N 3.13Å | ||
| 577 | T | 93.5 | Very high | 94.9 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | -172.8 | -52.6 | 0 | 0 | 0 | 0 | 113.4 | K575 M579 V580 I581 L610 Y614 L616 | K575-T577 PolarHBondContact O-N 3Å; T577-M579 PolarHBondContact O-N 3.46Å; T577-V580 PolarHBondContact O-N 2.99Å; T577-I581 HydrophobicContact CG2-CD1 3.96Å; T577-I581 HydrophobicContact CG2-CG1 4.48Å; T577-I581 WeakPolarHBondContact O-CG1 3.29Å; T577-I581 PolarHBondContact O-N 2.95Å; T577-L610 HydrophobicContact CG2-CB 4.37Å; T577-Y614 HydrophobicContact CG2-CD1 4.19Å; T577-Y614 HydrophobicContact CG2-CD2 3.7Å; T577-Y614 HydrophobicContact CG2-CE1 4.4Å; T577-Y614 HydrophobicContact CG2-CE2 3.94Å; T577-Y614 HydrophobicContact CG2-CG 3.83Å; T577-L616 HydrophobicContact CG2-CD1 4.42Å |
| 578 | E | 95.1 | Very high | 94.6 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.1 | -51.6 | 178.1 | -69.5 | 176.6 | -105 | 0 | 0 | 110.4 | L431 N576 V580 I581 S582 L616 L619 | L431-E578 HydrophobicContact CD1-CG 4.2Å; L431-E578 VanDerWaalsContact CD1-OE1 3.24Å; L431-E578 WeakPolarHBondContact CD1-OE1 3.32Å; L431-E578 WeakPolarHBondContact CD1-OE2 3.09Å; N576-E578 PolarHBondContact O-N 2.8Å; E578-V580 PolarHBondContact O-N 2.81Å; E578-I581 PolarHBondContact O-N 3.37Å; E578-S582 PolarHBondContact O-N 3.44Å; E578-S582 PolarHBondContact O-OG 3.49Å; E578-L616 HydrophobicContact CG-CD1 3.82Å; E578-L616 HydrophobicContact CG-CD2 4.1Å; E578-L619 HydrophobicContact CB-CD1 4.17Å; E578-L619 HydrophobicContact CG-CD1 4.29Å |
| 579 | M | 96.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.4 | -35.5 | 179.3 | -172.2 | 56.9 | 64.8 | 0 | 0 | 112.7 | I541 E542 Y545 L567 C571 N576 T577 I581 S582 V583 | I541-M579 HydrophobicContact CG2-CB 4.36Å; I541-M579 HydrophobicContact CG2-CE 4.12Å; I541-M579 HydrophobicContact CG2-CG 3.65Å; I541-M579 HydrophobicContact CG2-SD 4.4Å; E542-M579 WeakPolarHBondContact OE2-CE 3.44Å; Y545-M579 HydrophobicContact CD1-CE 4.29Å; Y545-M579 HydrophobicContact CD1-SD 4.19Å; Y545-M579 HydrophobicContact CD2-SD 3.81Å; Y545-M579 HydrophobicContact CG-CE 4.18Å; Y545-M579 HydrophobicContact CG-SD 3.62Å; L567-M579 HydrophobicContact CD2-SD 4.44Å; C571-M579 HydrophobicContact CB-CG 4.45Å; C571-M579 WeakPolarHBondContact SG-CG 3.37Å; N576-M579 HydrophobicContact CB-CB 4.42Å; N576-M579 PolarHBondContact O-N 2.83Å; N576-M579 PolarHBondContact OD1-N 3.27Å; T577-M579 PolarHBondContact O-N 3.46Å; M579-I581 VanDerWaalsContact C-N 3.28Å; M579-I581 PolarHBondContact O-N 2.84Å; M579-S582 PolarHBondContact O-N 2.92Å; M579-V583 HydrophobicContact CG-CG2 4.27Å; M579-V583 WeakPolarHBondContact O-CB 3.36Å; M579-V583 VanDerWaalsContact O-CG2 3.23Å; M579-V583 WeakPolarHBondContact O-CG2 3.35Å; M579-V583 PolarHBondContact O-N 3.17Å; M579-V583 HydrophobicContact SD-CG2 4.17Å |
| 580 | V | 97.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57 | -45.3 | 173.6 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | L568 C571 Q572 N576 T577 E578 V583 L584 L610 | L568-V580 HydrophobicContact CD1-CB 4.49Å; L568-V580 HydrophobicContact CD1-CG1 3.93Å; L568-V580 HydrophobicContact CD1-CG2 4.49Å; C571-V580 HydrophobicContact CB-CG2 3.67Å; Q572-V580 HydrophobicContact CG-CG1 4.43Å; Q572-V580 HydrophobicContact CG-CG2 3.87Å; N576-V580 VanDerWaalsContact O-CG2 3.31Å; N576-V580 WeakPolarHBondContact O-CG2 3.29Å; N576-V580 PolarHBondContact O-N 3.13Å; T577-V580 PolarHBondContact O-N 2.99Å; E578-V580 PolarHBondContact O-N 2.81Å; V580-V583 PolarHBondContact O-N 3.21Å; V580-L584 HydrophobicContact CG1-CD1 4.19Å; V580-L584 VanDerWaalsContact O-CG 3.3Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 3.11Å; V580-L610 HydrophobicContact CG1-CD1 3.99Å |
| 581 | I | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 178.9 | -64.4 | 161.3 | 0 | 0 | 0 | 110.5 | T577 E578 M579 V583 L584 L585 A607 L610 L616 L619 | T577-I581 HydrophobicContact CG2-CD1 3.96Å; T577-I581 HydrophobicContact CG2-CG1 4.48Å; T577-I581 WeakPolarHBondContact O-CG1 3.29Å; T577-I581 PolarHBondContact O-N 2.95Å; E578-I581 PolarHBondContact O-N 3.37Å; M579-I581 VanDerWaalsContact C-N 3.28Å; M579-I581 PolarHBondContact O-N 2.84Å; I581-V583 VanDerWaalsContact C-N 3.25Å; I581-V583 PolarHBondContact O-N 3.28Å; I581-L584 WeakPolarHBondContact O-CB 3.46Å; I581-L584 PolarHBondContact O-N 2.96Å; I581-L585 HydrophobicContact CG2-CD1 4.1Å; I581-L585 HydrophobicContact CG2-CG 4.36Å; I581-L585 WeakPolarHBondContact O-CG 3.29Å; I581-L585 PolarHBondContact O-N 2.85Å; I581-A607 HydrophobicContact CG2-CB 4.09Å; I581-L610 HydrophobicContact CD1-CB 3.93Å; I581-L610 HydrophobicContact CG1-CB 3.9Å; I581-L610 HydrophobicContact CG1-CD1 4.4Å; I581-L616 HydrophobicContact CD1-CD1 3.77Å; I581-L619 HydrophobicContact CB-CD1 4.15Å; I581-L619 HydrophobicContact CD1-CD1 4.09Å; I581-L619 HydrophobicContact CG2-CB 3.94Å; I581-L619 HydrophobicContact CG2-CD1 4.23Å; I581-L619 HydrophobicContact CG2-CD2 4.36Å; I581-L619 HydrophobicContact CG2-CG 4.41Å |
| 582 | S | 97.7 | Very high | 92.4 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -38.8 | 178.1 | -55 | 0 | 0 | 0 | 0 | 112.7 | E578 M579 S586 | E578-S582 PolarHBondContact O-N 3.44Å; E578-S582 PolarHBondContact O-OG 3.49Å; M579-S582 PolarHBondContact O-N 2.92Å; S582-S586 WeakPolarHBondContact O-CB 3.44Å; S582-S586 PolarHBondContact O-N 2.78Å; S582-S586 PolarHBondContact O-OG 3.45Å |
| 583 | V | 98 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.9 | -43.6 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | Y545 L564 L567 L568 M579 V580 I581 L585 S586 V587 | Y545-V583 HydrophobicContact CD2-CG2 4Å; Y545-V583 HydrophobicContact CE2-CG2 4.44Å; L564-V583 HydrophobicContact CB-CG1 4.13Å; L564-V583 HydrophobicContact CD2-CG1 4.05Å; L564-V583 HydrophobicContact CD2-CG2 4.26Å; L564-V583 WeakPolarHBondContact O-CG1 3.24Å; L567-V583 HydrophobicContact CD2-CG2 3.68Å; L567-V583 HydrophobicContact CG-CG2 4.05Å; L568-V583 HydrophobicContact CB-CG1 3.79Å; L568-V583 HydrophobicContact CD1-CB 4.47Å; L568-V583 HydrophobicContact CD1-CG1 4.14Å; L568-V583 HydrophobicContact CG-CG1 4.45Å; M579-V583 HydrophobicContact CG-CG2 4.27Å; M579-V583 WeakPolarHBondContact O-CB 3.36Å; M579-V583 VanDerWaalsContact O-CG2 3.23Å; M579-V583 WeakPolarHBondContact O-CG2 3.35Å; M579-V583 PolarHBondContact O-N 3.17Å; M579-V583 HydrophobicContact SD-CG2 4.17Å; V580-V583 PolarHBondContact O-N 3.21Å; I581-V583 VanDerWaalsContact C-N 3.25Å; I581-V583 PolarHBondContact O-N 3.28Å; V583-L585 VanDerWaalsContact C-N 3.32Å; V583-L585 PolarHBondContact O-N 3.32Å; V583-S586 PolarHBondContact O-N 3.25Å; V583-V587 HydrophobicContact CG1-CG2 4.38Å; V583-V587 WeakPolarHBondContact O-CG2 3.36Å; V583-V587 PolarHBondContact O-N 3.4Å |
| 584 | L | 97.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 176 | -72.3 | 173.7 | 0 | 0 | 0 | 111.8 | L568 V580 I581 V587 A588 M603 Q606 A607 L610 | L568-L584 HydrophobicContact CD1-CD2 4.24Å; L568-L584 HydrophobicContact CD1-CG 4.29Å; L568-L584 HydrophobicContact CD2-CD2 4.11Å; V580-L584 HydrophobicContact CG1-CD1 4.19Å; V580-L584 VanDerWaalsContact O-CG 3.3Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 3.11Å; I581-L584 WeakPolarHBondContact O-CB 3.46Å; I581-L584 PolarHBondContact O-N 2.96Å; L584-V587 PolarHBondContact O-N 2.88Å; L584-A588 WeakPolarHBondContact O-CB 3.43Å; L584-A588 PolarHBondContact O-N 2.88Å; L584-M603 HydrophobicContact CD2-CB 4.38Å; L584-M603 HydrophobicContact CD2-CE 3.5Å; L584-M603 VanDerWaalsContact CD2-CE 3.5Å; L584-Q606 HydrophobicContact CD1-CB 4.35Å; L584-Q606 HydrophobicContact CD1-CG 4.02Å; L584-A607 HydrophobicContact CB-CB 4.16Å; L584-A607 HydrophobicContact CD1-CB 4.2Å; L584-L610 HydrophobicContact CD1-CD1 4.3Å |
| 585 | L | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.8 | -65.7 | 175.5 | 0 | 0 | 0 | 111.5 | I581 V583 V587 A588 E589 L604 A607 E622 T623 N626 | I581-L585 HydrophobicContact CG2-CD1 4.1Å; I581-L585 HydrophobicContact CG2-CG 4.36Å; I581-L585 WeakPolarHBondContact O-CG 3.29Å; I581-L585 PolarHBondContact O-N 2.85Å; V583-L585 VanDerWaalsContact C-N 3.32Å; V583-L585 PolarHBondContact O-N 3.32Å; L585-V587 VanDerWaalsContact C-N 3.33Å; L585-V587 PolarHBondContact O-N 3.46Å; L585-A588 WeakPolarHBondContact O-CB 3.5Å; L585-A588 PolarHBondContact O-N 2.98Å; L585-A588 VanDerWaalsContact O-N 3.17Å; L585-E589 PolarHBondContact O-N 3.02Å; L585-L604 HydrophobicContact CD2-CD2 3.8Å; L585-A607 HydrophobicContact CD2-CB 4.26Å; L585-E622 HydrophobicContact CD1-CB 4.2Å; L585-E622 HydrophobicContact CD1-CG 3.92Å; L585-T623 HydrophobicContact CD2-CG2 4.01Å; L585-N626 HydrophobicContact CD2-CB 4.33Å |
| 586 | S | 94.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -35.6 | 179.3 | -55 | 0 | 0 | 0 | 0 | 112.2 | Y545 Q552 S582 V583 E589 L590 | Y545-S586 VanDerWaalsContact CE2-OG 3.27Å; Y545-S586 WeakPolarHBondContact CE2-OG 3.47Å; Y545-S586 PolarHBondContact OH-OG 2.96Å; Q552-S586 PolarHBondContact NE2-O 3.27Å; S582-S586 WeakPolarHBondContact O-CB 3.44Å; S582-S586 PolarHBondContact O-N 2.78Å; S582-S586 PolarHBondContact O-OG 3.45Å; V583-S586 PolarHBondContact O-N 3.25Å; S586-E589 PolarHBondContact O-N 2.96Å; S586-L590 PolarHBondContact O-N 3.29Å |
| 587 | V | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.5 | -38 | 174.1 | 177 | 0 | 0 | 0 | 0 | 111.3 | L564 V583 L584 L585 E589 L590 Y591 M603 | L564-V587 HydrophobicContact CB-CG2 3.64Å; L564-V587 HydrophobicContact CD1-CG2 3.85Å; L564-V587 HydrophobicContact CG-CG2 4.3Å; V583-V587 HydrophobicContact CG1-CG2 4.38Å; V583-V587 WeakPolarHBondContact O-CG2 3.36Å; V583-V587 PolarHBondContact O-N 3.4Å; L584-V587 PolarHBondContact O-N 2.88Å; L585-V587 VanDerWaalsContact C-N 3.33Å; L585-V587 PolarHBondContact O-N 3.46Å; V587-E589 VanDerWaalsContact C-N 3.3Å; V587-E589 PolarHBondContact O-N 3.49Å; V587-L590 WeakPolarHBondContact O-CB 3.26Å; V587-L590 PolarHBondContact O-N 2.97Å; V587-Y591 HydrophobicContact CG1-CD2 3.99Å; V587-Y591 HydrophobicContact CG1-CE2 3.53Å; V587-Y591 VanDerWaalsContact O-CD2 3.26Å; V587-Y591 WeakPolarHBondContact O-CD2 3.3Å; V587-Y591 PolarHBondContact O-N 3.46Å; V587-M603 HydrophobicContact CB-CE 3.59Å; V587-M603 HydrophobicContact CB-SD 4.34Å; V587-M603 HydrophobicContact CG1-CE 3.43Å; V587-M603 VanDerWaalsContact CG1-CE 3.43Å; V587-M603 HydrophobicContact CG1-SD 3.68Å; V587-M603 HydrophobicContact CG2-CE 4.36Å |
| 588 | A | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L584 L585 L590 Y591 W592 A600 L604 | L584-A588 WeakPolarHBondContact O-CB 3.43Å; L584-A588 PolarHBondContact O-N 2.88Å; L585-A588 WeakPolarHBondContact O-CB 3.5Å; L585-A588 PolarHBondContact O-N 2.98Å; L585-A588 VanDerWaalsContact O-N 3.17Å; A588-L590 VanDerWaalsContact C-N 3.31Å; A588-L590 PolarHBondContact O-N 3.48Å; A588-Y591 PolarHBondContact O-N 2.61Å; A588-Y591 VanDerWaalsContact O-N 3.13Å; A588-W592 HydrophobicContact CB-CH2 4.48Å; A588-W592 HydrophobicContact CB-CZ2 4.32Å; A588-W592 PolarHBondContact O-N 2.97Å; A588-A600 HydrophobicContact CB-CB 4.01Å; A588-L604 HydrophobicContact CB-CD1 4.31Å; A588-L604 HydrophobicContact CB-CD2 3.49Å; A588-L604 VanDerWaalsContact CB-CD2 3.49Å; A588-L604 HydrophobicContact CB-CG 3.77Å |
| 589 | E | 89.4 | Confident | 87.5 | Confident | 44 Ų | 44 | 31.4 Ų | 31.4 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -38.3 | 174.3 | -79.3 | -174.9 | -169 | 0 | 0 | 113.3 | L585 S586 V587 Y591 W592 R593 | L585-E589 PolarHBondContact O-N 3.02Å; S586-E589 PolarHBondContact O-N 2.96Å; V587-E589 VanDerWaalsContact C-N 3.3Å; V587-E589 PolarHBondContact O-N 3.49Å; E589-Y591 VanDerWaalsContact C-N 3.34Å; E589-Y591 PolarHBondContact O-N 3.3Å; E589-W592 HydrophobicContact CB-CE3 4.31Å; E589-W592 HydrophobicContact CB-CZ3 4.24Å; E589-W592 HydrophobicContact CG-CE3 3.94Å; E589-W592 HydrophobicContact CG-CH2 4.23Å; E589-W592 HydrophobicContact CG-CZ3 3.44Å; E589-W592 VanDerWaalsContact CG-CZ3 3.44Å; E589-W592 PolarHBondContact O-N 3.44Å; E589-R593 PolarHBondContact O-N 2.94Å |
| 590 | L | 88.1 | Confident | 87.1 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.9 | -76.9 | 170.9 | 0 | 0 | 0 | 112.1 | Q552 M557 A560 H561 L564 S586 V587 A588 W592 R593 S594 | Q552-L590 HydrophobicContact CG-CD1 4.47Å; Q552-L590 HydrophobicContact CG-CD2 3.75Å; Q552-L590 HydrophobicContact CG-CG 4.12Å; M557-L590 HydrophobicContact CB-CD2 4.07Å; M557-L590 HydrophobicContact CG-CD2 4.21Å; A560-L590 HydrophobicContact CB-CD1 4.24Å; A560-L590 HydrophobicContact CB-CD2 4.43Å; H561-L590 HydrophobicContact CB-CD1 4.03Å; L564-L590 HydrophobicContact CD1-CD1 3.79Å; S586-L590 PolarHBondContact O-N 3.29Å; V587-L590 WeakPolarHBondContact O-CB 3.26Å; V587-L590 PolarHBondContact O-N 2.97Å; A588-L590 VanDerWaalsContact C-N 3.31Å; A588-L590 PolarHBondContact O-N 3.48Å; L590-W592 VanDerWaalsContact C-N 3.35Å; L590-W592 PolarHBondContact O-N 3.26Å; L590-R593 PolarHBondContact O-N 3.29Å; L590-S594 PolarHBondContact O-N 2.9Å |
| 591 | Y | 84.7 | Confident | 86.7 | Confident | 54 Ų | 54 | 32.4 Ų | 32.4 | 21% | 0.212 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.1 | -27.1 | -179.4 | -73.1 | -58.9 | 0 | 0 | 0 | 113.6 | H561 V587 A588 E589 S594 S595 S596 I599 M603 | H561-Y591 PolarHBondContact CE1-OH 2.71Å; V587-Y591 HydrophobicContact CG1-CD2 3.99Å; V587-Y591 HydrophobicContact CG1-CE2 3.53Å; V587-Y591 VanDerWaalsContact O-CD2 3.26Å; V587-Y591 WeakPolarHBondContact O-CD2 3.3Å; V587-Y591 PolarHBondContact O-N 3.46Å; A588-Y591 PolarHBondContact O-N 2.61Å; A588-Y591 VanDerWaalsContact O-N 3.13Å; E589-Y591 VanDerWaalsContact C-N 3.34Å; E589-Y591 PolarHBondContact O-N 3.3Å; Y591-S594 WeakPolarHBondContact CA-OG 3.28Å; Y591-S594 PolarHBondContact O-N 3.37Å; Y591-S594 PolarHBondContact O-OG 3.09Å; Y591-S595 PolarHBondContact O-N 3.07Å; Y591-S596 PolarHBondContact O-N 3.27Å; Y591-S596 PolarHBondContact O-OG 2.95Å; Y591-I599 HydrophobicContact CD1-CB 4.5Å; Y591-I599 HydrophobicContact CD1-CG2 4.22Å; Y591-I599 HydrophobicContact CD2-CG2 4.24Å; Y591-I599 HydrophobicContact CE1-CG2 4.02Å; Y591-I599 HydrophobicContact CE2-CG2 4Å; Y591-I599 HydrophobicContact CG-CG2 4.34Å; Y591-M603 HydrophobicContact CD2-SD 4.25Å; Y591-M603 HydrophobicContact CE2-SD 3.82Å |
| 592 | W | 78.2 | Confident | 86.4 | Confident | 29 Ų | 29 | 36.4 Ų | 36.4 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 170.7 | -62.2 | -32 | 0 | 0 | 0 | 112.1 | A588 E589 L590 S594 S595 L604 N626 F629 A630 I633 | A588-W592 HydrophobicContact CB-CH2 4.48Å; A588-W592 HydrophobicContact CB-CZ2 4.32Å; A588-W592 PolarHBondContact O-N 2.97Å; E589-W592 HydrophobicContact CB-CE3 4.31Å; E589-W592 HydrophobicContact CB-CZ3 4.24Å; E589-W592 HydrophobicContact CG-CE3 3.94Å; E589-W592 HydrophobicContact CG-CH2 4.23Å; E589-W592 HydrophobicContact CG-CZ3 3.44Å; E589-W592 VanDerWaalsContact CG-CZ3 3.44Å; E589-W592 PolarHBondContact O-N 3.44Å; L590-W592 VanDerWaalsContact C-N 3.35Å; L590-W592 PolarHBondContact O-N 3.26Å; W592-S594 PolarHBondContact O-N 3Å; W592-S595 PolarHBondContact O-N 3.36Å; W592-L604 HydrophobicContact CH2-CD2 4.48Å; W592-L604 HydrophobicContact CZ2-CD1 3.67Å; W592-L604 HydrophobicContact CZ2-CD2 4.29Å; W592-N626 HydrophobicContact CH2-CB 3.41Å; W592-N626 VanDerWaalsContact CH2-CB 3.41Å; W592-N626 VanDerWaalsContact CH2-CG 3.41Å; W592-N626 WeakPolarHBondContact CH2-OD1 3.41Å; W592-N626 HydrophobicContact CZ2-CB 4.03Å; W592-N626 VanDerWaalsContact CZ2-O 3.25Å; W592-N626 WeakPolarHBondContact CZ2-O 3.21Å; W592-N626 HydrophobicContact CZ3-CB 4.38Å; W592-N626 WeakPolarHBondContact CZ3-OD1 3.48Å; W592-F629 HydrophobicContact CB-CE1 4.48Å; W592-F629 AromaticContact CD2-CD1 3.87Å; W592-F629 HydrophobicContact CD2-CD1 3.87Å; W592-F629 HydrophobicContact CD2-CE1 4.09Å; W592-F629 AromaticContact CE3-CD1 3.7Å; W592-F629 HydrophobicContact CE3-CD1 3.7Å; W592-F629 AromaticContact CE3-CE1 3.91Å; W592-F629 HydrophobicContact CE3-CE1 3.91Å; W592-F629 HydrophobicContact CG-CD1 4.46Å; W592-F629 HydrophobicContact CG-CE1 4.34Å; W592-F629 HydrophobicContact CZ3-CD1 4.08Å; W592-A630 HydrophobicContact CZ2-CB 4.47Å; W592-I633 HydrophobicContact CG-CD1 4.38Å |
| 593 | R | 73.2 | Confident | 86.2 | Confident | 104 Ų | 104 | 36.8 Ų | 36.8 | 39% | 0.392 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.2 | -26.6 | 177.1 | -65.2 | -172.1 | -172.4 | -165.7 | 9.2 | 112.4 | Q552 M557 E589 L590 S595 | Q552-R593 PolarHBondContact O-NH1 3.47Å; M557-R593 HydrophobicContact CE-CB 4.21Å; M557-R593 HydrophobicContact SD-CB 4.33Å; E589-R593 PolarHBondContact O-N 2.94Å; L590-R593 PolarHBondContact O-N 3.29Å; R593-S595 VanDerWaalsContact C-N 3.32Å |
| 594 | S | 76.4 | Confident | 86 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 9.5 | 171.6 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | L590 Y591 W592 S596 | L590-S594 PolarHBondContact O-N 2.9Å; Y591-S594 WeakPolarHBondContact CA-OG 3.28Å; Y591-S594 PolarHBondContact O-N 3.37Å; Y591-S594 PolarHBondContact O-OG 3.09Å; W592-S594 PolarHBondContact O-N 3Å; S594-S596 VanDerWaalsContact C-N 3.32Å; S594-S596 PolarHBondContact O-N 2.8Å; S594-S596 PolarHBondContact OG-OG 3.26Å |
| 595 | S | 70.9 | Confident | 86 | Confident | 76 Ų | 76 | 41.6 Ų | 41.6 | 53% | 0.531 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 34.2 | 178.8 | -54.4 | 0 | 0 | 0 | 0 | 114.7 | Y591 W592 R593 P597 | Y591-S595 PolarHBondContact O-N 3.07Å; W592-S595 PolarHBondContact O-N 3.36Å; R593-S595 VanDerWaalsContact C-N 3.32Å; S595-P597 VanDerWaalsContact C-CD 3.44Å; S595-P597 WeakPolarHBondContact O-CD 3.45Å |
| 596 | S | 78.8 | Confident | 86 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | trans | -122.9 | 61.2 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 113 | Y591 S594 T598 I599 | Y591-S596 PolarHBondContact O-N 3.27Å; Y591-S596 PolarHBondContact O-OG 2.95Å; S594-S596 VanDerWaalsContact C-N 3.32Å; S594-S596 PolarHBondContact O-N 2.8Å; S594-S596 PolarHBondContact OG-OG 3.26Å; S596-T598 PolarHBondContact O-N 3.01Å; S596-I599 PolarHBondContact O-N 3.26Å | ||
| 597 | P | 72 | Confident | 86.1 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -29.7 | -173.7 | 27.5 | -36.6 | 0 | 0 | 0 | 113.5 | S595 I599 A600 L601 I633 L634 | S595-P597 VanDerWaalsContact C-CD 3.44Å; S595-P597 WeakPolarHBondContact O-CD 3.45Å; P597-I599 PolarHBondContact O-N 3.38Å; P597-A600 WeakPolarHBondContact O-CB 3.27Å; P597-A600 PolarHBondContact O-N 3.26Å; P597-L601 PolarHBondContact O-N 3.44Å; P597-I633 HydrophobicContact CB-CG2 4.33Å; P597-I633 HydrophobicContact CG-CG2 3.94Å; P597-L634 HydrophobicContact CB-CD2 4.44Å; P597-L634 HydrophobicContact CB-CG 4.5Å; P597-L634 HydrophobicContact CG-CD2 3.88Å; P597-L634 HydrophobicContact CG-CG 4.36Å |
| 598 | T | 81.8 | Confident | 86.3 | Confident | 98 Ų | 98 | 46.6 Ų | 46.6 | 60% | 0.601 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.2 | -30.2 | -178.8 | -29.9 | 0 | 0 | 0 | 0 | 112.5 | S596 P602 | S596-T598 PolarHBondContact O-N 3.01Å; T598-P602 WeakPolarHBondContact O-CD 3.03Å |
| 599 | I | 84.7 | Confident | 86.7 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -76.5 | -30.8 | 176.7 | -57.3 | 177.3 | 0 | 0 | 0 | 110.8 | Y591 S596 P597 P602 | Y591-I599 HydrophobicContact CD1-CB 4.5Å; Y591-I599 HydrophobicContact CD1-CG2 4.22Å; Y591-I599 HydrophobicContact CD2-CG2 4.24Å; Y591-I599 HydrophobicContact CE1-CG2 4.02Å; Y591-I599 HydrophobicContact CE2-CG2 4Å; Y591-I599 HydrophobicContact CG-CG2 4.34Å; S596-I599 PolarHBondContact O-N 3.26Å; P597-I599 PolarHBondContact O-N 3.38Å; I599-P602 WeakPolarHBondContact O-CD 3.36Å |
| 600 | A | 87 | Confident | 87 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.9 | -32.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A588 P597 M603 L604 | A588-A600 HydrophobicContact CB-CB 4.01Å; P597-A600 WeakPolarHBondContact O-CB 3.27Å; P597-A600 PolarHBondContact O-N 3.26Å; A600-M603 WeakPolarHBondContact O-CB 3.41Å; A600-M603 PolarHBondContact O-N 2.92Å; A600-M603 VanDerWaalsContact O-N 3.09Å; A600-L604 HydrophobicContact CB-CD1 4.35Å; A600-L604 WeakPolarHBondContact O-CG 3.35Å; A600-L604 PolarHBondContact O-N 2.82Å |
| 601 | L | 90.2 | Very high | 87.5 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.4 | -49.8 | -174.2 | -77.5 | 178 | 0 | 0 | 0 | 114.4 | P597 M603 L604 L605 L627 A630 L634 | P597-L601 PolarHBondContact O-N 3.44Å; L601-M603 VanDerWaalsContact C-N 3.25Å; L601-M603 PolarHBondContact O-N 2.67Å; L601-L604 PolarHBondContact O-N 3.41Å; L601-L605 WeakPolarHBondContact O-CG 3.35Å; L601-L605 PolarHBondContact O-N 3.37Å; L601-L627 HydrophobicContact CD2-CD2 4.13Å; L601-A630 HydrophobicContact CD2-CB 3.99Å; L601-L634 HydrophobicContact CD1-CD1 3.77Å; L601-L634 HydrophobicContact CG-CD1 4.5Å |
| 602 | P | 92.4 | Very high | 88 | Confident | 83 Ų | 83 | 52.2 Ų | 52.2 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.9 | -37.6 | 177.2 | -25.7 | 34.7 | 0 | 0 | 0 | 113.2 | T598 I599 L605 Q606 | T598-P602 WeakPolarHBondContact O-CD 3.03Å; I599-P602 WeakPolarHBondContact O-CD 3.36Å; P602-L605 PolarHBondContact O-N 3.17Å; P602-Q606 WeakPolarHBondContact O-CB 3.5Å; P602-Q606 PolarHBondContact O-N 3.42Å |
| 603 | M | 92.3 | Very high | 88.8 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 179.2 | -57.9 | -171.8 | 65 | 0 | 0 | 111.6 | L584 V587 Y591 A600 L601 Q606 A607 | L584-M603 HydrophobicContact CD2-CB 4.38Å; L584-M603 HydrophobicContact CD2-CE 3.5Å; L584-M603 VanDerWaalsContact CD2-CE 3.5Å; V587-M603 HydrophobicContact CB-CE 3.59Å; V587-M603 HydrophobicContact CB-SD 4.34Å; V587-M603 HydrophobicContact CG1-CE 3.43Å; V587-M603 VanDerWaalsContact CG1-CE 3.43Å; V587-M603 HydrophobicContact CG1-SD 3.68Å; V587-M603 HydrophobicContact CG2-CE 4.36Å; Y591-M603 HydrophobicContact CD2-SD 4.25Å; Y591-M603 HydrophobicContact CE2-SD 3.82Å; A600-M603 WeakPolarHBondContact O-CB 3.41Å; A600-M603 PolarHBondContact O-N 2.92Å; A600-M603 VanDerWaalsContact O-N 3.09Å; L601-M603 VanDerWaalsContact C-N 3.25Å; L601-M603 PolarHBondContact O-N 2.67Å; M603-Q606 WeakPolarHBondContact O-CB 3.38Å; M603-Q606 PolarHBondContact O-N 2.66Å; M603-A607 WeakPolarHBondContact O-CB 3.11Å; M603-A607 PolarHBondContact O-N 3.3Å |
| 604 | L | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 176.6 | -65.2 | 168.2 | 0 | 0 | 0 | 112 | L585 A588 W592 A600 L601 Q606 A607 L608 T623 N626 L627 A630 | L585-L604 HydrophobicContact CD2-CD2 3.8Å; A588-L604 HydrophobicContact CB-CD1 4.31Å; A588-L604 HydrophobicContact CB-CD2 3.49Å; A588-L604 VanDerWaalsContact CB-CD2 3.49Å; A588-L604 HydrophobicContact CB-CG 3.77Å; W592-L604 HydrophobicContact CH2-CD2 4.48Å; W592-L604 HydrophobicContact CZ2-CD1 3.67Å; W592-L604 HydrophobicContact CZ2-CD2 4.29Å; A600-L604 HydrophobicContact CB-CD1 4.35Å; A600-L604 WeakPolarHBondContact O-CG 3.35Å; A600-L604 PolarHBondContact O-N 2.82Å; L601-L604 PolarHBondContact O-N 3.41Å; L604-Q606 VanDerWaalsContact C-N 3.32Å; L604-A607 PolarHBondContact O-N 3.44Å; L604-L608 WeakPolarHBondContact O-CB 3.47Å; L604-L608 PolarHBondContact O-N 3.1Å; L604-T623 VanDerWaalsContact O-CG2 3.23Å; L604-T623 WeakPolarHBondContact O-CG2 3.38Å; L604-N626 HydrophobicContact CD2-CB 3.81Å; L604-L627 HydrophobicContact CB-CD2 3.42Å; L604-L627 VanDerWaalsContact CB-CD2 3.42Å; L604-L627 HydrophobicContact CB-CG 3.82Å; L604-L627 HydrophobicContact CD1-CD2 3.97Å; L604-L627 HydrophobicContact CD1-CG 4.38Å; L604-L627 HydrophobicContact CG-CD2 4.33Å; L604-A630 HydrophobicContact CD1-CB 4.3Å |
| 605 | L | 96 | Very high | 90.6 | Very high | 102 Ų | 102 | 56 Ų | 56 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 174.6 | -69.6 | 173.3 | 0 | 0 | 0 | 111.4 | L601 P602 L608 A609 L627 | L601-L605 WeakPolarHBondContact O-CG 3.35Å; L601-L605 PolarHBondContact O-N 3.37Å; P602-L605 PolarHBondContact O-N 3.17Å; L605-L608 PolarHBondContact O-N 3.13Å; L605-A609 WeakPolarHBondContact O-CB 3.39Å; L605-A609 PolarHBondContact O-N 3.49Å; L605-L627 HydrophobicContact CD2-CD2 4.28Å; L605-L627 HydrophobicContact CG-CD2 4.47Å |
| 606 | Q | 96.6 | Very high | 91.8 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 41% | 0.407 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 171.9 | -176.4 | -179.1 | 10.1 | 0 | 0 | 111.7 | L584 P602 M603 L604 L608 A609 L610 | L584-Q606 HydrophobicContact CD1-CB 4.35Å; L584-Q606 HydrophobicContact CD1-CG 4.02Å; P602-Q606 WeakPolarHBondContact O-CB 3.5Å; P602-Q606 PolarHBondContact O-N 3.42Å; M603-Q606 WeakPolarHBondContact O-CB 3.38Å; M603-Q606 PolarHBondContact O-N 2.66Å; L604-Q606 VanDerWaalsContact C-N 3.32Å; Q606-L608 VanDerWaalsContact C-N 3.26Å; Q606-L608 PolarHBondContact O-N 3.34Å; Q606-A609 PolarHBondContact O-N 3.02Å; Q606-L610 HydrophobicContact CG-CD1 4.2Å; Q606-L610 WeakPolarHBondContact O-CG 3.45Å; Q606-L610 PolarHBondContact O-N 3.3Å |
| 607 | A | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I581 L584 L585 M603 L604 S611 T623 | I581-A607 HydrophobicContact CG2-CB 4.09Å; L584-A607 HydrophobicContact CB-CB 4.16Å; L584-A607 HydrophobicContact CD1-CB 4.2Å; L585-A607 HydrophobicContact CD2-CB 4.26Å; M603-A607 WeakPolarHBondContact O-CB 3.11Å; M603-A607 PolarHBondContact O-N 3.3Å; L604-A607 PolarHBondContact O-N 3.44Å; A607-S611 VanDerWaalsContact O-CB 3.31Å; A607-S611 WeakPolarHBondContact O-CB 3.09Å; A607-S611 PolarHBondContact O-N 3.41Å; A607-S611 PolarHBondContact O-OG 2.94Å; A607-T623 HydrophobicContact CB-CG2 3.86Å |
| 608 | L | 97.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 178.3 | -173.3 | 61.8 | 0 | 0 | 0 | 111.6 | L604 L605 Q606 S611 K612 T623 V624 L627 | L604-L608 WeakPolarHBondContact O-CB 3.47Å; L604-L608 PolarHBondContact O-N 3.1Å; L605-L608 PolarHBondContact O-N 3.13Å; Q606-L608 VanDerWaalsContact C-N 3.26Å; Q606-L608 PolarHBondContact O-N 3.34Å; L608-S611 WeakPolarHBondContact CA-OG 3.4Å; L608-S611 PolarHBondContact O-OG 3.43Å; L608-K612 HydrophobicContact CD1-CD 4.31Å; L608-K612 HydrophobicContact CD1-CG 4.36Å; L608-K612 HydrophobicContact CG-CD 4.24Å; L608-K612 WeakPolarHBondContact O-CB 2.95Å; L608-K612 VanDerWaalsContact O-CG 3.32Å; L608-K612 WeakPolarHBondContact O-CG 3.46Å; L608-K612 PolarHBondContact O-N 3.02Å; L608-T623 HydrophobicContact CB-CG2 3.8Å; L608-T623 HydrophobicContact CD1-CG2 4.41Å; L608-V624 HydrophobicContact CD1-CG2 3.91Å; L608-L627 HydrophobicContact CB-CD1 4.27Å; L608-L627 HydrophobicContact CD2-CD1 3.7Å; L608-L627 HydrophobicContact CG-CD1 4.49Å |
| 609 | A | 97.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L605 Q606 K612 E613 | L605-A609 WeakPolarHBondContact O-CB 3.39Å; L605-A609 PolarHBondContact O-N 3.49Å; Q606-A609 PolarHBondContact O-N 3.02Å; A609-K612 PolarHBondContact O-N 2.9Å; A609-E613 VanDerWaalsContact O-CB 3.27Å; A609-E613 WeakPolarHBondContact O-CB 3.42Å; A609-E613 PolarHBondContact O-N 3Å |
| 610 | L | 97.2 | Very high | 94.8 | Very high | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | 178.6 | -70.3 | 173.5 | 0 | 0 | 0 | 112.1 | T577 V580 I581 L584 Q606 K612 E613 Y614 | T577-L610 HydrophobicContact CG2-CB 4.37Å; V580-L610 HydrophobicContact CG1-CD1 3.99Å; I581-L610 HydrophobicContact CD1-CB 3.93Å; I581-L610 HydrophobicContact CG1-CB 3.9Å; I581-L610 HydrophobicContact CG1-CD1 4.4Å; L584-L610 HydrophobicContact CD1-CD1 4.3Å; Q606-L610 HydrophobicContact CG-CD1 4.2Å; Q606-L610 WeakPolarHBondContact O-CG 3.45Å; Q606-L610 PolarHBondContact O-N 3.3Å; L610-K612 VanDerWaalsContact C-N 3.28Å; L610-K612 PolarHBondContact O-N 3.46Å; L610-E613 PolarHBondContact O-N 2.79Å; L610-Y614 HydrophobicContact CD2-CE2 4.25Å; L610-Y614 WeakPolarHBondContact O-CB 3.45Å; L610-Y614 WeakPolarHBondContact O-CD2 3.26Å; L610-Y614 PolarHBondContact O-N 3.03Å |
| 611 | S | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.7 | -36.3 | 178.8 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | A607 L608 R615 L616 A620 | A607-S611 VanDerWaalsContact O-CB 3.31Å; A607-S611 WeakPolarHBondContact O-CB 3.09Å; A607-S611 PolarHBondContact O-N 3.41Å; A607-S611 PolarHBondContact O-OG 2.94Å; L608-S611 WeakPolarHBondContact CA-OG 3.4Å; L608-S611 PolarHBondContact O-OG 3.43Å; S611-R615 CarbonylContact O-C 3.36Å; S611-R615 WeakPolarHBondContact O-CA 3.3Å; S611-R615 PolarHBondContact O-N 3.46Å; S611-L616 PolarHBondContact O-N 3.27Å; S611-A620 WeakPolarHBondContact OG-CA 2.89Å |
| 612 | K | 95.5 | Very high | 95.3 | Very high | 137 Ų | 137 | 49.5 Ų | 49.5 | 60% | 0.596 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -72.7 | -44.1 | 174 | -74.1 | -178.3 | 175.9 | -179.3 | 0 | 113 | L608 A609 L610 Y614 R615 | L608-K612 HydrophobicContact CD1-CD 4.31Å; L608-K612 HydrophobicContact CD1-CG 4.36Å; L608-K612 HydrophobicContact CG-CD 4.24Å; L608-K612 WeakPolarHBondContact O-CB 2.95Å; L608-K612 VanDerWaalsContact O-CG 3.32Å; L608-K612 WeakPolarHBondContact O-CG 3.46Å; L608-K612 PolarHBondContact O-N 3.02Å; A609-K612 PolarHBondContact O-N 2.9Å; L610-K612 VanDerWaalsContact C-N 3.28Å; L610-K612 PolarHBondContact O-N 3.46Å; K612-Y614 VanDerWaalsContact C-N 3.28Å; K612-Y614 PolarHBondContact O-N 3.32Å; K612-R615 PolarHBondContact O-N 3.12Å |
| 613 | E | 95 | Very high | 95.5 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 58% | 0.575 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -57.5 | -44.7 | 177.8 | 180 | -179.4 | 178.3 | 0 | 0 | 111 | A609 L610 | A609-E613 VanDerWaalsContact O-CB 3.27Å; A609-E613 WeakPolarHBondContact O-CB 3.42Å; A609-E613 PolarHBondContact O-N 3Å; L610-E613 PolarHBondContact O-N 2.79Å |
| 614 | Y | 94.3 | Very high | 95.6 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.7 | -179.1 | -71.6 | -100.9 | 0 | 0 | 0 | 114.1 | F390 T577 L610 K612 L616 | F390-Y614 VanDerWaalsContact O-CD1 3.32Å; F390-Y614 WeakPolarHBondContact O-CD1 2.97Å; F390-Y614 VanDerWaalsContact O-CE1 3.31Å; F390-Y614 WeakPolarHBondContact O-CE1 2.9Å; T577-Y614 HydrophobicContact CG2-CD1 4.19Å; T577-Y614 HydrophobicContact CG2-CD2 3.7Å; T577-Y614 HydrophobicContact CG2-CE1 4.4Å; T577-Y614 HydrophobicContact CG2-CE2 3.94Å; T577-Y614 HydrophobicContact CG2-CG 3.83Å; L610-Y614 HydrophobicContact CD2-CE2 4.25Å; L610-Y614 WeakPolarHBondContact O-CB 3.45Å; L610-Y614 WeakPolarHBondContact O-CD2 3.26Å; L610-Y614 PolarHBondContact O-N 3.03Å; K612-Y614 VanDerWaalsContact C-N 3.28Å; K612-Y614 PolarHBondContact O-N 3.32Å; Y614-L616 VanDerWaalsContact C-N 3.29Å; Y614-L616 PolarHBondContact O-N 3.18Å |
| 615 | R | 94.7 | Very high | 95.6 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 36% | 0.362 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 35.8 | 176.7 | -61.9 | 178.5 | -101.3 | -81.6 | 0.3 | 114.3 | G392 K393 Y432 S611 K612 Q617 | G392-R615 PolarHBondContact O-NE 3.02Å; G392-R615 PolarHBondContact O-NH2 2.66Å; K393-R615 PolarHBondContact O-NE 3Å; Y432-R615 HydrophobicContact CD1-CB 3.98Å; Y432-R615 HydrophobicContact CE1-CB 3.75Å; S611-R615 CarbonylContact O-C 3.36Å; S611-R615 WeakPolarHBondContact O-CA 3.3Å; S611-R615 PolarHBondContact O-N 3.46Å; K612-R615 PolarHBondContact O-N 3.12Å; R615-Q617 PolarHBondContact O-N 3.44Å; R615-Q617 VanDerWaalsContact O-N 3.17Å |
| 616 | L | 94.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | trans | -87.3 | 79.3 | 179 | -58.3 | 170 | 0 | 0 | 0 | 109.2 | L431 T577 E578 I581 S611 Y614 Y618 L619 A620 | L431-L616 HydrophobicContact CD1-CD2 3.49Å; L431-L616 VanDerWaalsContact CD1-CD2 3.49Å; L431-L616 HydrophobicContact CG-CD2 3.9Å; T577-L616 HydrophobicContact CG2-CD1 4.42Å; E578-L616 HydrophobicContact CG-CD1 3.82Å; E578-L616 HydrophobicContact CG-CD2 4.1Å; I581-L616 HydrophobicContact CD1-CD1 3.77Å; S611-L616 PolarHBondContact O-N 3.27Å; Y614-L616 VanDerWaalsContact C-N 3.29Å; Y614-L616 PolarHBondContact O-N 3.18Å; L616-Y618 VanDerWaalsContact C-N 3.31Å; L616-Y618 PolarHBondContact O-N 2.91Å; L616-L619 HydrophobicContact CB-CB 4.23Å; L616-L619 HydrophobicContact CB-CD1 4.15Å; L616-L619 HydrophobicContact CD1-CD1 3.97Å; L616-L619 PolarHBondContact O-N 3.46Å; L616-A620 WeakPolarHBondContact O-CB 3.4Å; L616-A620 PolarHBondContact O-N 2.94Å | ||
| 617 | Q | 94.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.3 | -39.8 | -170 | -178.4 | 60.2 | 52.5 | 0 | 0 | 113.2 | Y432 R615 A620 S621 P650 | Y432-Q617 VanDerWaalsContact O-CB 3.27Å; Y432-Q617 WeakPolarHBondContact O-CB 3.44Å; R615-Q617 PolarHBondContact O-N 3.44Å; R615-Q617 VanDerWaalsContact O-N 3.17Å; Q617-A620 PolarHBondContact O-N 3.37Å; Q617-S621 PolarHBondContact NE2-OG 2.72Å; Q617-S621 WeakPolarHBondContact O-CB 3.24Å; Q617-S621 PolarHBondContact O-N 3.43Å; Q617-S621 PolarHBondContact O-OG 3.39Å; Q617-S621 VanDerWaalsContact O-OG 3.08Å; Q617-P650 HydrophobicContact CG-CB 4.3Å |
| 618 | Y | 93.3 | Very high | 95.1 | Very high | 94 Ų | 94 | 37.5 Ų | 37.5 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.4 | -52.2 | 177.4 | 170.1 | -98.8 | 0 | 0 | 0 | 111.2 | L616 A620 S621 E622 D659 | L616-Y618 VanDerWaalsContact C-N 3.31Å; L616-Y618 PolarHBondContact O-N 2.91Å; Y618-A620 VanDerWaalsContact C-N 3.32Å; Y618-A620 PolarHBondContact O-N 3.35Å; Y618-S621 WeakPolarHBondContact O-CB 3.32Å; Y618-S621 PolarHBondContact O-N 2.85Å; Y618-E622 PolarHBondContact O-N 2.72Å; Y618-D659 WeakPolarHBondContact CE2-OD2 3.45Å; Y618-D659 PolarHBondContact OH-OD2 3.22Å |
| 619 | L | 95.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.3 | -32.1 | 178.7 | -66.3 | 172.6 | 0 | 0 | 0 | 112.5 | E578 I581 L616 T623 | E578-L619 HydrophobicContact CB-CD1 4.17Å; E578-L619 HydrophobicContact CG-CD1 4.29Å; I581-L619 HydrophobicContact CB-CD1 4.15Å; I581-L619 HydrophobicContact CD1-CD1 4.09Å; I581-L619 HydrophobicContact CG2-CB 3.94Å; I581-L619 HydrophobicContact CG2-CD1 4.23Å; I581-L619 HydrophobicContact CG2-CD2 4.36Å; I581-L619 HydrophobicContact CG2-CG 4.41Å; L616-L619 HydrophobicContact CB-CB 4.23Å; L616-L619 HydrophobicContact CB-CD1 4.15Å; L616-L619 HydrophobicContact CD1-CD1 3.97Å; L616-L619 PolarHBondContact O-N 3.46Å; L619-T623 WeakPolarHBondContact O-CB 3.32Å; L619-T623 PolarHBondContact O-N 3.03Å; L619-T623 PolarHBondContact O-OG1 3.23Å |
| 620 | A | 95.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S611 L616 Q617 Y618 T623 V624 | S611-A620 WeakPolarHBondContact OG-CA 2.89Å; L616-A620 WeakPolarHBondContact O-CB 3.4Å; L616-A620 PolarHBondContact O-N 2.94Å; Q617-A620 PolarHBondContact O-N 3.37Å; Y618-A620 VanDerWaalsContact C-N 3.32Å; Y618-A620 PolarHBondContact O-N 3.35Å; A620-T623 PolarHBondContact O-N 2.91Å; A620-V624 VanDerWaalsContact O-CG2 3.31Å; A620-V624 WeakPolarHBondContact O-CG2 3.37Å; A620-V624 PolarHBondContact O-N 3.39Å |
| 621 | S | 94.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.2 | -66 | 0 | 0 | 0 | 0 | 111.9 | Q617 Y618 T623 V624 L625 | Q617-S621 PolarHBondContact NE2-OG 2.72Å; Q617-S621 WeakPolarHBondContact O-CB 3.24Å; Q617-S621 PolarHBondContact O-N 3.43Å; Q617-S621 PolarHBondContact O-OG 3.39Å; Q617-S621 VanDerWaalsContact O-OG 3.08Å; Y618-S621 WeakPolarHBondContact O-CB 3.32Å; Y618-S621 PolarHBondContact O-N 2.85Å; S621-T623 VanDerWaalsContact C-N 3.32Å; S621-T623 PolarHBondContact O-N 3.34Å; S621-V624 PolarHBondContact O-N 3.41Å; S621-V624 VanDerWaalsContact O-N 3.16Å; S621-L625 PolarHBondContact O-N 2.65Å |
| 622 | E | 94 | Very high | 93.9 | Very high | 21 Ų | 21 | 37 Ų | 37 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -41.7 | 175.7 | -168.6 | 179.6 | 176.9 | 0 | 0 | 111.5 | L585 Y618 V624 L625 N626 | L585-E622 HydrophobicContact CD1-CB 4.2Å; L585-E622 HydrophobicContact CD1-CG 3.92Å; Y618-E622 PolarHBondContact O-N 2.72Å; E622-V624 VanDerWaalsContact C-N 3.31Å; E622-V624 PolarHBondContact O-N 2.86Å; E622-L625 PolarHBondContact O-N 3.07Å; E622-N626 WeakPolarHBondContact O-CB 3.39Å; E622-N626 PolarHBondContact O-N 2.87Å; E622-N626 PolarHBondContact O-ND2 2.76Å |
| 623 | T | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 175.2 | -53.8 | 0 | 0 | 0 | 0 | 112 | L585 L604 A607 L608 L619 A620 S621 N626 L627 | L585-T623 HydrophobicContact CD2-CG2 4.01Å; L604-T623 VanDerWaalsContact O-CG2 3.23Å; L604-T623 WeakPolarHBondContact O-CG2 3.38Å; A607-T623 HydrophobicContact CB-CG2 3.86Å; L608-T623 HydrophobicContact CB-CG2 3.8Å; L608-T623 HydrophobicContact CD1-CG2 4.41Å; L619-T623 WeakPolarHBondContact O-CB 3.32Å; L619-T623 PolarHBondContact O-N 3.03Å; L619-T623 PolarHBondContact O-OG1 3.23Å; A620-T623 PolarHBondContact O-N 2.91Å; S621-T623 VanDerWaalsContact C-N 3.32Å; S621-T623 PolarHBondContact O-N 3.34Å; T623-N626 WeakPolarHBondContact O-CB 3.37Å; T623-N626 PolarHBondContact O-N 3.39Å; T623-L627 HydrophobicContact CG2-CD1 4.2Å; T623-L627 WeakPolarHBondContact O-CG 2.99Å; T623-L627 PolarHBondContact O-N 3.45Å |
| 624 | V | 95.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | L608 A620 S621 E622 N626 L627 A628 L643 A647 | L608-V624 HydrophobicContact CD1-CG2 3.91Å; A620-V624 VanDerWaalsContact O-CG2 3.31Å; A620-V624 WeakPolarHBondContact O-CG2 3.37Å; A620-V624 PolarHBondContact O-N 3.39Å; S621-V624 PolarHBondContact O-N 3.41Å; S621-V624 VanDerWaalsContact O-N 3.16Å; E622-V624 VanDerWaalsContact C-N 3.31Å; E622-V624 PolarHBondContact O-N 2.86Å; V624-N626 PolarHBondContact O-N 3.2Å; V624-L627 PolarHBondContact O-N 3.48Å; V624-A628 WeakPolarHBondContact O-CB 3.33Å; V624-A628 PolarHBondContact O-N 2.87Å; V624-L643 HydrophobicContact CG1-CD1 4.02Å; V624-L643 HydrophobicContact CG1-CD2 4.36Å; V624-L643 HydrophobicContact CG1-CG 3.78Å; V624-A647 HydrophobicContact CB-CB 3.98Å; V624-A647 HydrophobicContact CG1-CB 3.51Å |
| 625 | L | 93.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -44.5 | 173.3 | -71.8 | 179.7 | 0 | 0 | 0 | 111.4 | S621 E622 A628 F629 L644 I651 D659 R662 A663 L666 | S621-L625 PolarHBondContact O-N 2.65Å; E622-L625 PolarHBondContact O-N 3.07Å; L625-A628 PolarHBondContact O-N 2.92Å; L625-F629 WeakPolarHBondContact O-CB 3.45Å; L625-F629 PolarHBondContact O-N 3.44Å; L625-L644 HydrophobicContact CD2-CD2 3.63Å; L625-I651 HydrophobicContact CD1-CD1 4.03Å; L625-I651 HydrophobicContact CD2-CD1 3.77Å; L625-I651 HydrophobicContact CG-CD1 3.79Å; L625-D659 HydrophobicContact CD1-CB 4.27Å; L625-R662 HydrophobicContact CD1-CB 4.34Å; L625-A663 HydrophobicContact CD2-CB 3.74Å; L625-L666 VanDerWaalsContact O-CD2 3.26Å; L625-L666 WeakPolarHBondContact O-CD2 3.3Å |
| 626 | N | 92.9 | Very high | 93 | Very high | 14 Ų | 14 | 29 Ų | 29 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | 179.5 | -80.1 | -44.2 | 0 | 0 | 0 | 112.7 | L585 W592 L604 E622 T623 V624 F629 A630 | L585-N626 HydrophobicContact CD2-CB 4.33Å; W592-N626 HydrophobicContact CH2-CB 3.41Å; W592-N626 VanDerWaalsContact CH2-CB 3.41Å; W592-N626 VanDerWaalsContact CH2-CG 3.41Å; W592-N626 WeakPolarHBondContact CH2-OD1 3.41Å; W592-N626 HydrophobicContact CZ2-CB 4.03Å; W592-N626 VanDerWaalsContact CZ2-O 3.25Å; W592-N626 WeakPolarHBondContact CZ2-O 3.21Å; W592-N626 HydrophobicContact CZ3-CB 4.38Å; W592-N626 WeakPolarHBondContact CZ3-OD1 3.48Å; L604-N626 HydrophobicContact CD2-CB 3.81Å; E622-N626 WeakPolarHBondContact O-CB 3.39Å; E622-N626 PolarHBondContact O-N 2.87Å; E622-N626 PolarHBondContact O-ND2 2.76Å; T623-N626 WeakPolarHBondContact O-CB 3.37Å; T623-N626 PolarHBondContact O-N 3.39Å; V624-N626 PolarHBondContact O-N 3.2Å; N626-F629 PolarHBondContact O-N 3.19Å; N626-A630 PolarHBondContact O-N 3.41Å |
| 627 | L | 93.4 | Very high | 93 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 172.6 | -79.2 | 168.1 | 0 | 0 | 0 | 112.7 | L601 L604 L605 L608 T623 V624 F629 A630 Q631 L643 | L601-L627 HydrophobicContact CD2-CD2 4.13Å; L604-L627 HydrophobicContact CB-CD2 3.42Å; L604-L627 VanDerWaalsContact CB-CD2 3.42Å; L604-L627 HydrophobicContact CB-CG 3.82Å; L604-L627 HydrophobicContact CD1-CD2 3.97Å; L604-L627 HydrophobicContact CD1-CG 4.38Å; L604-L627 HydrophobicContact CG-CD2 4.33Å; L605-L627 HydrophobicContact CD2-CD2 4.28Å; L605-L627 HydrophobicContact CG-CD2 4.47Å; L608-L627 HydrophobicContact CB-CD1 4.27Å; L608-L627 HydrophobicContact CD2-CD1 3.7Å; L608-L627 HydrophobicContact CG-CD1 4.49Å; T623-L627 HydrophobicContact CG2-CD1 4.2Å; T623-L627 WeakPolarHBondContact O-CG 2.99Å; T623-L627 PolarHBondContact O-N 3.45Å; V624-L627 PolarHBondContact O-N 3.48Å; L627-F629 VanDerWaalsContact C-N 3.31Å; L627-F629 PolarHBondContact O-N 3.44Å; L627-A630 WeakPolarHBondContact O-CB 3.47Å; L627-A630 PolarHBondContact O-N 3.01Å; L627-Q631 WeakPolarHBondContact O-CG 3.49Å; L627-Q631 PolarHBondContact O-N 3.39Å; L627-L643 HydrophobicContact CB-CD2 3.81Å |
| 628 | A | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V624 L625 Q631 L632 A640 L643 L644 L666 | V624-A628 WeakPolarHBondContact O-CB 3.33Å; V624-A628 PolarHBondContact O-N 2.87Å; L625-A628 PolarHBondContact O-N 2.92Å; A628-Q631 PolarHBondContact O-N 3.22Å; A628-L632 PolarHBondContact O-N 2.92Å; A628-A640 HydrophobicContact CB-CB 4.36Å; A628-A640 WeakPolarHBondContact O-CB 3.28Å; A628-L643 HydrophobicContact CB-CD2 4.28Å; A628-L644 HydrophobicContact CB-CD1 4Å; A628-L644 HydrophobicContact CB-CD2 3.64Å; A628-L644 HydrophobicContact CB-CG 3.53Å; A628-L666 HydrophobicContact CB-CD2 3.98Å |
| 629 | F | 91.7 | Very high | 93 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.4 | -175.8 | -117.6 | 0 | 0 | 0 | 112.1 | W592 L625 N626 L627 L632 I633 L666 L755 | W592-F629 HydrophobicContact CB-CE1 4.48Å; W592-F629 AromaticContact CD2-CD1 3.87Å; W592-F629 HydrophobicContact CD2-CD1 3.87Å; W592-F629 HydrophobicContact CD2-CE1 4.09Å; W592-F629 AromaticContact CE3-CD1 3.7Å; W592-F629 HydrophobicContact CE3-CD1 3.7Å; W592-F629 AromaticContact CE3-CE1 3.91Å; W592-F629 HydrophobicContact CE3-CE1 3.91Å; W592-F629 HydrophobicContact CG-CD1 4.46Å; W592-F629 HydrophobicContact CG-CE1 4.34Å; W592-F629 HydrophobicContact CZ3-CD1 4.08Å; L625-F629 WeakPolarHBondContact O-CB 3.45Å; L625-F629 PolarHBondContact O-N 3.44Å; N626-F629 PolarHBondContact O-N 3.19Å; L627-F629 VanDerWaalsContact C-N 3.31Å; L627-F629 PolarHBondContact O-N 3.44Å; F629-L632 WeakPolarHBondContact O-CB 3.23Å; F629-L632 PolarHBondContact O-N 3.28Å; F629-I633 HydrophobicContact CD1-CD1 3.93Å; F629-I633 HydrophobicContact CE1-CD1 3.5Å; F629-I633 HydrophobicContact CE1-CG1 4.44Å; F629-I633 HydrophobicContact CE2-CD1 4.35Å; F629-I633 HydrophobicContact CE2-CG1 4.46Å; F629-I633 HydrophobicContact CZ-CD1 3.74Å; F629-I633 HydrophobicContact CZ-CG1 4.28Å; F629-I633 WeakPolarHBondContact O-CG1 3.44Å; F629-I633 PolarHBondContact O-N 3Å; F629-L666 HydrophobicContact CB-CD1 4.18Å; F629-L666 HydrophobicContact CB-CD2 3.98Å; F629-L666 HydrophobicContact CD2-CD1 3.77Å; F629-L666 HydrophobicContact CG-CD1 4.47Å; F629-L755 HydrophobicContact CE2-CD1 4.13Å |
| 630 | A | 90.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W592 L601 L604 N626 L627 L632 I633 L634 | W592-A630 HydrophobicContact CZ2-CB 4.47Å; L601-A630 HydrophobicContact CD2-CB 3.99Å; L604-A630 HydrophobicContact CD1-CB 4.3Å; N626-A630 PolarHBondContact O-N 3.41Å; L627-A630 WeakPolarHBondContact O-CB 3.47Å; L627-A630 PolarHBondContact O-N 3.01Å; A630-L632 VanDerWaalsContact C-N 3.32Å; A630-L632 PolarHBondContact O-N 3.04Å; A630-I633 PolarHBondContact O-N 2.91Å; A630-L634 VanDerWaalsContact O-CG 3.27Å; A630-L634 WeakPolarHBondContact O-CG 3.3Å; A630-L634 PolarHBondContact O-N 3.32Å |
| 631 | Q | 91.3 | Very high | 92.8 | Very high | 41 Ų | 41 | 33.7 Ų | 33.7 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 175.2 | -75.1 | -177.8 | -19.4 | 0 | 0 | 112.3 | L627 A628 L634 G635 I636 Q639 A640 | L627-Q631 WeakPolarHBondContact O-CG 3.49Å; L627-Q631 PolarHBondContact O-N 3.39Å; A628-Q631 PolarHBondContact O-N 3.22Å; Q631-L634 CarbonylContact O-C 3.58Å; Q631-L634 PolarHBondContact O-N 2.99Å; Q631-G635 PolarHBondContact O-N 3.46Å; Q631-I636 HydrophobicContact CB-CD1 4Å; Q631-I636 HydrophobicContact CB-CG1 3.94Å; Q631-I636 HydrophobicContact CG-CD1 3.9Å; Q631-I636 HydrophobicContact CG-CG1 4.41Å; Q631-I636 WeakPolarHBondContact O-CG1 3.49Å; Q631-I636 PolarHBondContact O-N 3.31Å; Q631-I636 VanDerWaalsContact O-N 3.15Å; Q631-Q639 PolarHBondContact OE1-O 3.38Å; Q631-A640 HydrophobicContact CB-CB 3.85Å; Q631-A640 VanDerWaalsContact OE1-CA 3.23Å |
| 632 | L | 91.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.7 | -178.3 | 62 | 0 | 0 | 0 | 111.8 | A628 F629 A630 L634 G635 P637 A640 L666 K669 A673 L755 | A628-L632 PolarHBondContact O-N 2.92Å; F629-L632 WeakPolarHBondContact O-CB 3.23Å; F629-L632 PolarHBondContact O-N 3.28Å; A630-L632 VanDerWaalsContact C-N 3.32Å; A630-L632 PolarHBondContact O-N 3.04Å; L632-L634 VanDerWaalsContact C-N 3.26Å; L632-L634 PolarHBondContact O-N 2.85Å; L632-G635 PolarHBondContact O-N 2.91Å; L632-P637 HydrophobicContact CD1-CB 3.78Å; L632-A640 HydrophobicContact CB-CB 4.36Å; L632-L666 HydrophobicContact CD2-CD1 3.74Å; L632-K669 HydrophobicContact CD2-CB 3.65Å; L632-K669 HydrophobicContact CD2-CD 4.43Å; L632-A673 HydrophobicContact CD1-CB 3.74Å; L632-L755 HydrophobicContact CB-CD1 4.42Å; L632-L755 HydrophobicContact CD1-CD2 4.09Å; L632-L755 HydrophobicContact CD2-CD1 3.41Å; L632-L755 VanDerWaalsContact CD2-CD1 3.41Å; L632-L755 HydrophobicContact CD2-CD2 4.35Å; L632-L755 HydrophobicContact CD2-CG 4.46Å; L632-L755 HydrophobicContact CG-CD1 3.53Å; L632-L755 HydrophobicContact CG-CD2 3.77Å; L632-L755 HydrophobicContact CG-CG 4.28Å |
| 633 | I | 88 | Confident | 92.8 | Very high | 56 Ų | 56 | 38 Ų | 38 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -35.4 | 174.9 | -65.8 | 169.1 | 0 | 0 | 0 | 111.4 | W592 P597 F629 A630 G635 L755 | W592-I633 HydrophobicContact CG-CD1 4.38Å; P597-I633 HydrophobicContact CB-CG2 4.33Å; P597-I633 HydrophobicContact CG-CG2 3.94Å; F629-I633 HydrophobicContact CD1-CD1 3.93Å; F629-I633 HydrophobicContact CE1-CD1 3.5Å; F629-I633 HydrophobicContact CE1-CG1 4.44Å; F629-I633 HydrophobicContact CE2-CD1 4.35Å; F629-I633 HydrophobicContact CE2-CG1 4.46Å; F629-I633 HydrophobicContact CZ-CD1 3.74Å; F629-I633 HydrophobicContact CZ-CG1 4.28Å; F629-I633 WeakPolarHBondContact O-CG1 3.44Å; F629-I633 PolarHBondContact O-N 3Å; A630-I633 PolarHBondContact O-N 2.91Å; I633-G635 PolarHBondContact O-N 3.27Å; I633-L755 HydrophobicContact CG1-CD1 4.35Å |
| 634 | L | 89.5 | Confident | 92.7 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 0.1 | 176.8 | -68.2 | 169 | 0 | 0 | 0 | 113.7 | P597 L601 A630 Q631 L632 I636 | P597-L634 HydrophobicContact CB-CD2 4.44Å; P597-L634 HydrophobicContact CB-CG 4.5Å; P597-L634 HydrophobicContact CG-CD2 3.88Å; P597-L634 HydrophobicContact CG-CG 4.36Å; L601-L634 HydrophobicContact CD1-CD1 3.77Å; L601-L634 HydrophobicContact CG-CD1 4.5Å; A630-L634 VanDerWaalsContact O-CG 3.27Å; A630-L634 WeakPolarHBondContact O-CG 3.3Å; A630-L634 PolarHBondContact O-N 3.32Å; Q631-L634 CarbonylContact O-C 3.58Å; Q631-L634 PolarHBondContact O-N 2.99Å; L632-L634 VanDerWaalsContact C-N 3.26Å; L632-L634 PolarHBondContact O-N 2.85Å; L634-I636 HydrophobicContact CB-CG1 4.35Å |
| 635 | G | 90 | Very high | 92.6 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 21.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q631 L632 I633 P637 | Q631-G635 PolarHBondContact O-N 3.46Å; L632-G635 PolarHBondContact O-N 2.91Å; I633-G635 PolarHBondContact O-N 3.27Å; G635-P637 VanDerWaalsContact O-CD 3.24Å; G635-P637 WeakPolarHBondContact O-CD 3.37Å |
| 636 | I | 92.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | trans | -117.2 | 63.7 | 178 | 50.3 | 166.1 | 0 | 0 | 0 | 111.8 | Q631 L634 E638 Q639 A640 | Q631-I636 HydrophobicContact CB-CD1 4Å; Q631-I636 HydrophobicContact CB-CG1 3.94Å; Q631-I636 HydrophobicContact CG-CD1 3.9Å; Q631-I636 HydrophobicContact CG-CG1 4.41Å; Q631-I636 WeakPolarHBondContact O-CG1 3.49Å; Q631-I636 PolarHBondContact O-N 3.31Å; Q631-I636 VanDerWaalsContact O-N 3.15Å; L634-I636 HydrophobicContact CB-CG1 4.35Å; I636-E638 VanDerWaalsContact C-N 3.34Å; I636-E638 PolarHBondContact O-N 2.81Å; I636-Q639 HydrophobicContact CD1-CB 4.36Å; I636-Q639 PolarHBondContact O-N 3.38Å; I636-A640 PolarHBondContact O-N 2.89Å | ||
| 637 | P | 94.4 | Very high | 92 | Very high | 20 Ų | 20 | 49 Ų | 49 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -30.7 | -170.9 | 27.4 | -36.7 | 0 | 0 | 0 | 114.3 | L632 G635 Q639 A640 L641 A673 | L632-P637 HydrophobicContact CD1-CB 3.78Å; G635-P637 VanDerWaalsContact O-CD 3.24Å; G635-P637 WeakPolarHBondContact O-CD 3.37Å; P637-Q639 VanDerWaalsContact C-N 3.35Å; P637-Q639 PolarHBondContact O-N 2.79Å; P637-A640 WeakPolarHBondContact O-CB 3.47Å; P637-A640 PolarHBondContact O-N 2.91Å; P637-L641 WeakPolarHBondContact O-CB 3.37Å; P637-L641 PolarHBondContact O-N 3.45Å; P637-A673 HydrophobicContact CB-CB 3.67Å; P637-A673 HydrophobicContact CG-CB 3.95Å |
| 638 | E | 93.4 | Very high | 92 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.1 | -38.7 | 179 | -64.1 | -177.8 | 169.6 | 0 | 0 | 111.9 | I636 L641 S642 | I636-E638 VanDerWaalsContact C-N 3.34Å; I636-E638 PolarHBondContact O-N 2.81Å; E638-L641 PolarHBondContact O-N 3.21Å; E638-S642 WeakPolarHBondContact O-CB 3.34Å; E638-S642 PolarHBondContact O-N 3.08Å |
| 639 | Q | 94 | Very high | 92 | Very high | 111 Ų | 111 | 57.5 Ų | 57.5 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 174.6 | -64.7 | -177.5 | 26.2 | 0 | 0 | 111 | Q631 I636 P637 L641 S642 L643 | Q631-Q639 PolarHBondContact OE1-O 3.38Å; I636-Q639 HydrophobicContact CD1-CB 4.36Å; I636-Q639 PolarHBondContact O-N 3.38Å; P637-Q639 VanDerWaalsContact C-N 3.35Å; P637-Q639 PolarHBondContact O-N 2.79Å; Q639-L641 VanDerWaalsContact C-N 3.32Å; Q639-L641 PolarHBondContact O-N 3.03Å; Q639-S642 PolarHBondContact O-N 3.26Å; Q639-L643 WeakPolarHBondContact O-CB 3.29Å; Q639-L643 PolarHBondContact O-N 3.41Å |
| 640 | A | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A628 Q631 L632 I636 P637 L643 L644 | A628-A640 HydrophobicContact CB-CB 4.36Å; A628-A640 WeakPolarHBondContact O-CB 3.28Å; Q631-A640 HydrophobicContact CB-CB 3.85Å; Q631-A640 VanDerWaalsContact OE1-CA 3.23Å; L632-A640 HydrophobicContact CB-CB 4.36Å; I636-A640 PolarHBondContact O-N 2.89Å; P637-A640 WeakPolarHBondContact O-CB 3.47Å; P637-A640 PolarHBondContact O-N 2.91Å; A640-L643 PolarHBondContact O-N 3.07Å; A640-L644 VanDerWaalsContact O-CG 3.25Å; A640-L644 WeakPolarHBondContact O-CG 3.49Å; A640-L644 PolarHBondContact O-N 3.42Å |
| 641 | L | 94.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 178.3 | -169.8 | 67.1 | 0 | 0 | 0 | 111.6 | P637 E638 Q639 L643 L644 H645 V667 C670 Q671 | P637-L641 WeakPolarHBondContact O-CB 3.37Å; P637-L641 PolarHBondContact O-N 3.45Å; E638-L641 PolarHBondContact O-N 3.21Å; Q639-L641 VanDerWaalsContact C-N 3.32Å; Q639-L641 PolarHBondContact O-N 3.03Å; L641-L643 VanDerWaalsContact C-N 3.28Å; L641-L643 PolarHBondContact O-N 3.28Å; L641-L644 PolarHBondContact O-N 3.33Å; L641-H645 PolarHBondContact O-CD2 3.44Å; L641-H645 PolarHBondContact O-N 3.21Å; L641-V667 HydrophobicContact CD1-CG1 4.02Å; L641-C670 HydrophobicContact CB-CB 4.11Å; L641-C670 HydrophobicContact CD1-CB 4.09Å; L641-Q671 HydrophobicContact CD1-CG 4.27Å; L641-Q671 HydrophobicContact CD2-CG 4.44Å |
| 642 | S | 95 | Very high | 92.5 | Very high | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 112 | E638 Q639 | E638-S642 WeakPolarHBondContact O-CB 3.34Å; E638-S642 PolarHBondContact O-N 3.08Å; Q639-S642 PolarHBondContact O-N 3.26Å |
| 643 | L | 93.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 178.6 | -179.1 | 61.7 | 0 | 0 | 0 | 111.5 | V624 L627 A628 Q639 A640 L641 M646 | V624-L643 HydrophobicContact CG1-CD1 4.02Å; V624-L643 HydrophobicContact CG1-CD2 4.36Å; V624-L643 HydrophobicContact CG1-CG 3.78Å; L627-L643 HydrophobicContact CB-CD2 3.81Å; A628-L643 HydrophobicContact CB-CD2 4.28Å; Q639-L643 WeakPolarHBondContact O-CB 3.29Å; Q639-L643 PolarHBondContact O-N 3.41Å; A640-L643 PolarHBondContact O-N 3.07Å; L641-L643 VanDerWaalsContact C-N 3.28Å; L641-L643 PolarHBondContact O-N 3.28Å; L643-M646 PolarHBondContact O-N 3.33Å |
| 644 | L | 94.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.8 | -72.3 | 164 | 0 | 0 | 0 | 112.6 | L625 A628 A640 L641 M646 A647 I648 L666 V667 | L625-L644 HydrophobicContact CD2-CD2 3.63Å; A628-L644 HydrophobicContact CB-CD1 4Å; A628-L644 HydrophobicContact CB-CD2 3.64Å; A628-L644 HydrophobicContact CB-CG 3.53Å; A640-L644 VanDerWaalsContact O-CG 3.25Å; A640-L644 WeakPolarHBondContact O-CG 3.49Å; A640-L644 PolarHBondContact O-N 3.42Å; L641-L644 PolarHBondContact O-N 3.33Å; L644-M646 PolarHBondContact O-N 2.98Å; L644-M646 VanDerWaalsContact O-N 3.16Å; L644-A647 CarbonylContact O-C 3.47Å; L644-A647 PolarHBondContact O-N 2.89Å; L644-I648 PolarHBondContact O-N 2.99Å; L644-L666 HydrophobicContact CD1-CB 4.35Å; L644-L666 HydrophobicContact CD1-CD2 4.07Å; L644-L666 HydrophobicContact CD1-CG 3.74Å; L644-L666 HydrophobicContact CD2-CD2 3.84Å; L644-L666 HydrophobicContact CD2-CG 4.33Å; L644-L666 HydrophobicContact CG-CD2 4.49Å; L644-V667 HydrophobicContact CB-CG2 4.23Å; L644-V667 HydrophobicContact CD1-CG2 4.09Å |
| 645 | H | 91.6 | Very high | 93 | Very high | 108 Ų | 108 | 55 Ų | 55 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -30.1 | 177.4 | -78.1 | -54.5 | 0 | 0 | 0 | 112.7 | L641 A647 | L641-H645 PolarHBondContact O-CD2 3.44Å; L641-H645 PolarHBondContact O-N 3.21Å; H645-A647 VanDerWaalsContact C-N 3.32Å; H645-A647 PolarHBondContact O-N 3.47Å |
| 646 | M | 85.5 | Confident | 93.2 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 75% | 0.754 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.4 | 175.7 | -64.3 | -61.3 | -57.4 | 0 | 0 | 114.1 | L643 L644 | L643-M646 PolarHBondContact O-N 3.33Å; L644-M646 PolarHBondContact O-N 2.98Å; L644-M646 VanDerWaalsContact O-N 3.16Å |
| 647 | A | 89.9 | Confident | 93.4 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 5% | 0.05 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -11.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V624 L644 H645 E649 P650 I651 | V624-A647 HydrophobicContact CB-CB 3.98Å; V624-A647 HydrophobicContact CG1-CB 3.51Å; L644-A647 CarbonylContact O-C 3.47Å; L644-A647 PolarHBondContact O-N 2.89Å; H645-A647 VanDerWaalsContact C-N 3.32Å; H645-A647 PolarHBondContact O-N 3.47Å; A647-E649 PolarHBondContact O-N 2.82Å; A647-P650 WeakPolarHBondContact O-CD 3.37Å; A647-I651 HydrophobicContact CB-CD1 4.16Å; A647-I651 WeakPolarHBondContact O-CD1 3.36Å; A647-I651 VanDerWaalsContact O-CG1 3.24Å; A647-I651 WeakPolarHBondContact O-CG1 3.38Å; A647-I651 PolarHBondContact O-N 3.44Å |
| 648 | I | 94.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | -174.6 | -157.7 | 96.5 | 0 | 0 | 0 | 112.2 | L644 I651 L652 A663 M664 V667 | L644-I648 PolarHBondContact O-N 2.99Å; I648-I651 PolarHBondContact O-N 3.19Å; I648-L652 HydrophobicContact CG1-CD1 3.77Å; I648-L652 HydrophobicContact CG1-CG 4.14Å; I648-L652 WeakPolarHBondContact O-CB 3.47Å; I648-L652 WeakPolarHBondContact O-CG 3.3Å; I648-L652 PolarHBondContact O-N 3.11Å; I648-A663 HydrophobicContact CD1-CB 4.23Å; I648-M664 HydrophobicContact CD1-SD 3.94Å; I648-V667 HydrophobicContact CD1-CG2 3.82Å |
| 649 | E | 93.5 | Very high | 93.5 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 72% | 0.724 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.1 | -53 | -176.5 | 171.1 | -171.4 | 173.7 | 0 | 0 | 111.6 | A647 I651 L652 A653 | A647-E649 PolarHBondContact O-N 2.82Å; E649-I651 VanDerWaalsContact C-N 3.28Å; E649-I651 PolarHBondContact O-N 3.33Å; E649-L652 PolarHBondContact O-N 3.39Å; E649-A653 VanDerWaalsContact O-CB 3.23Å; E649-A653 WeakPolarHBondContact O-CB 3.42Å; E649-A653 PolarHBondContact O-N 3.3Å |
| 650 | P | 92.9 | Very high | 93.6 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 20% | 0.195 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.6 | -38.1 | 174.1 | -27.2 | 32.7 | 0 | 0 | 0 | 114.2 | Q617 A647 D654 G655 | Q617-P650 HydrophobicContact CG-CB 4.3Å; A647-P650 WeakPolarHBondContact O-CD 3.37Å; P650-D654 PolarHBondContact O-N 3.4Å; P650-G655 PolarHBondContact O-N 3.3Å |
| 651 | I | 95.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.1 | -47.9 | -179.9 | -67.1 | 165 | 0 | 0 | 0 | 110.6 | L625 A647 I648 E649 G655 D659 K660 A663 | L625-I651 HydrophobicContact CD1-CD1 4.03Å; L625-I651 HydrophobicContact CD2-CD1 3.77Å; L625-I651 HydrophobicContact CG-CD1 3.79Å; A647-I651 HydrophobicContact CB-CD1 4.16Å; A647-I651 WeakPolarHBondContact O-CD1 3.36Å; A647-I651 VanDerWaalsContact O-CG1 3.24Å; A647-I651 WeakPolarHBondContact O-CG1 3.38Å; A647-I651 PolarHBondContact O-N 3.44Å; I648-I651 PolarHBondContact O-N 3.19Å; E649-I651 VanDerWaalsContact C-N 3.28Å; E649-I651 PolarHBondContact O-N 3.33Å; I651-G655 VanDerWaalsContact O-CA 3.22Å; I651-G655 WeakPolarHBondContact O-CA 3.34Å; I651-G655 PolarHBondContact O-N 3.1Å; I651-D659 HydrophobicContact CG2-CB 4.24Å; I651-K660 HydrophobicContact CG2-CG 4.18Å; I651-K660 VanDerWaalsContact O-CE 3.24Å; I651-K660 WeakPolarHBondContact O-CE 3.16Å; I651-K660 WeakPolarHBondContact O-CG 3.46Å; I651-A663 HydrophobicContact CD1-CB 4.24Å; I651-A663 HydrophobicContact CG2-CB 4.01Å |
| 652 | L | 95 | Very high | 93.8 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.4 | -35.8 | -177.9 | -65.2 | -179.3 | 0 | 0 | 0 | 112 | I648 E649 K660 M664 Y700 | I648-L652 HydrophobicContact CG1-CD1 3.77Å; I648-L652 HydrophobicContact CG1-CG 4.14Å; I648-L652 WeakPolarHBondContact O-CB 3.47Å; I648-L652 WeakPolarHBondContact O-CG 3.3Å; I648-L652 PolarHBondContact O-N 3.11Å; E649-L652 PolarHBondContact O-N 3.39Å; L652-K660 HydrophobicContact CD2-CB 3.98Å; L652-K660 HydrophobicContact CD2-CD 4.45Å; L652-K660 HydrophobicContact CD2-CG 4.07Å; L652-K660 WeakPolarHBondContact O-CE 3.29Å; L652-K660 PolarHBondContact O-NZ 3.4Å; L652-M664 HydrophobicContact CD1-SD 4.49Å; L652-M664 HydrophobicContact CD2-SD 4.38Å; L652-Y700 HydrophobicContact CD2-CE2 4.14Å |
| 653 | A | 93.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.2 | -53.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E649 | E649-A653 VanDerWaalsContact O-CB 3.23Å; E649-A653 WeakPolarHBondContact O-CB 3.42Å; E649-A653 PolarHBondContact O-N 3.3Å |
| 654 | D | 92.5 | Very high | 94.1 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -122 | -11 | -166 | -75.9 | -56.7 | 0 | 0 | 0 | 115 | G433 R434 S435 P650 | G433-D654 WeakPolarHBondContact O-CB 3.34Å; G433-D654 VanDerWaalsContact O-OD2 3.13Å; R434-D654 IonicContact NH1-OD2 3.75Å; R434-D654 PolarHBondContact NH1-OD2 3.05Å; S435-D654 PolarHBondContact N-OD1 3.15Å; S435-D654 WeakPolarHBondContact OG-CA 3.01Å; S435-D654 PolarHBondContact OG-OD1 3.09Å; P650-D654 PolarHBondContact O-N 3.4Å |
| 655 | G | 92.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -72.1 | 166.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q480 P650 I651 K660 | Q480-G655 PolarHBondContact NE2-O 2.95Å; P650-G655 PolarHBondContact O-N 3.3Å; I651-G655 VanDerWaalsContact O-CA 3.22Å; I651-G655 WeakPolarHBondContact O-CA 3.34Å; I651-G655 PolarHBondContact O-N 3.1Å; G655-K660 WeakPolarHBondContact O-CE 3.27Å |
| 656 | A | 94.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | trans | -66.6 | 149.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E479 L658 D659 K660 | E479-A656 HydrophobicContact CB-CB 4.22Å; E479-A656 HydrophobicContact CG-CB 4.49Å; E479-A656 WeakPolarHBondContact O-CA 3.41Å; A656-L658 PolarHBondContact O-N 3.13Å; A656-D659 PolarHBondContact O-N 3.2Å; A656-K660 WeakPolarHBondContact O-CG 3.36Å; A656-K660 PolarHBondContact O-N 2.92Å | ||
| 657 | I | 96.1 | Very high | 95 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -31.1 | -176.6 | -160.3 | 66 | 0 | 0 | 0 | 112.6 | E479 K660 G661 Y700 K703 V704 | E479-I657 WeakPolarHBondContact O-CG2 3.21Å; E479-I657 PolarHBondContact O-N 3.36Å; I657-K660 HydrophobicContact CD1-CD 4.09Å; I657-K660 PolarHBondContact O-N 3.47Å; I657-G661 PolarHBondContact O-N 3.21Å; I657-Y700 HydrophobicContact CD1-CD1 3.27Å; I657-Y700 HydrophobicContact CD1-CE1 3.72Å; I657-Y700 HydrophobicContact CD1-CG 4.13Å; I657-Y700 HydrophobicContact CG1-CD1 4Å; I657-K703 HydrophobicContact CD1-CD 4.03Å; I657-K703 HydrophobicContact CG1-CB 4.25Å; I657-K703 HydrophobicContact CG1-CD 4.08Å; I657-V704 HydrophobicContact CG2-CB 4.42Å; I657-V704 HydrophobicContact CG2-CG1 3.19Å; I657-V704 HydrophobicContact CG2-CG2 4.39Å |
| 658 | L | 94.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 16% | 0.162 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 172.7 | -76.9 | 167 | 0 | 0 | 0 | 111.9 | N521 A656 G661 R662 F701 V704 C706 | N521-L658 WeakPolarHBondContact OD1-CD1 3.48Å; A656-L658 PolarHBondContact O-N 3.13Å; L658-G661 PolarHBondContact O-N 2.9Å; L658-R662 VanDerWaalsContact O-CG 3.27Å; L658-R662 WeakPolarHBondContact O-CG 3.42Å; L658-R662 PolarHBondContact O-N 3.45Å; L658-F701 HydrophobicContact CD2-CD1 4.29Å; L658-V704 HydrophobicContact CD2-CG2 3.59Å; L658-V704 HydrophobicContact CG-CG2 4.1Å; L658-C706 HydrophobicContact CD2-CB 4.36Å |
| 659 | D | 95.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.3 | -34.3 | -179.9 | -61.7 | -39.6 | 0 | 0 | 0 | 111.6 | Y618 L625 I651 A656 G661 R662 A663 | Y618-D659 WeakPolarHBondContact CE2-OD2 3.45Å; Y618-D659 PolarHBondContact OH-OD2 3.22Å; L625-D659 HydrophobicContact CD1-CB 4.27Å; I651-D659 HydrophobicContact CG2-CB 4.24Å; A656-D659 PolarHBondContact O-N 3.2Å; D659-G661 VanDerWaalsContact C-N 3.32Å; D659-G661 PolarHBondContact O-N 3.39Å; D659-R662 PolarHBondContact O-N 3.48Å; D659-R662 IonicContact OD1-NH1 3.68Å; D659-A663 VanDerWaalsContact O-CB 3.26Å; D659-A663 WeakPolarHBondContact O-CB 3.22Å; D659-A663 PolarHBondContact O-N 3.45Å |
| 660 | K | 97.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 19.1 Ų | 19.1 | 7% | 0.074 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 168.3 | -59.1 | -177 | -169.8 | -178.3 | 0 | 110.6 | Q480 I651 L652 G655 A656 I657 A663 M664 Y700 | Q480-K660 VanDerWaalsContact OE1-NZ 3.08Å; I651-K660 HydrophobicContact CG2-CG 4.18Å; I651-K660 VanDerWaalsContact O-CE 3.24Å; I651-K660 WeakPolarHBondContact O-CE 3.16Å; I651-K660 WeakPolarHBondContact O-CG 3.46Å; L652-K660 HydrophobicContact CD2-CB 3.98Å; L652-K660 HydrophobicContact CD2-CD 4.45Å; L652-K660 HydrophobicContact CD2-CG 4.07Å; L652-K660 WeakPolarHBondContact O-CE 3.29Å; L652-K660 PolarHBondContact O-NZ 3.4Å; G655-K660 WeakPolarHBondContact O-CE 3.27Å; A656-K660 WeakPolarHBondContact O-CG 3.36Å; A656-K660 PolarHBondContact O-N 2.92Å; I657-K660 HydrophobicContact CD1-CD 4.09Å; I657-K660 PolarHBondContact O-N 3.47Å; K660-A663 PolarHBondContact O-N 3.25Å; K660-M664 WeakPolarHBondContact O-CG 3.45Å; K660-M664 PolarHBondContact O-N 3.48Å; K660-Y700 HydrophobicContact CB-CD1 4.39Å; K660-Y700 HydrophobicContact CB-CD2 3.72Å; K660-Y700 HydrophobicContact CB-CE1 4.36Å; K660-Y700 HydrophobicContact CB-CE2 3.66Å; K660-Y700 HydrophobicContact CB-CG 4.07Å; K660-Y700 HydrophobicContact CD-CE1 4.3Å |
| 661 | G | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I657 L658 D659 F665 A697 F701 | I657-G661 PolarHBondContact O-N 3.21Å; L658-G661 PolarHBondContact O-N 2.9Å; D659-G661 VanDerWaalsContact C-N 3.32Å; D659-G661 PolarHBondContact O-N 3.39Å; G661-F665 VanDerWaalsContact O-CB 3.31Å; G661-F665 WeakPolarHBondContact O-CB 3.28Å; G661-F665 PolarHBondContact O-N 2.97Å; G661-A697 WeakPolarHBondContact O-CB 3.39Å; G661-F701 WeakPolarHBondContact O-CZ 3.37Å |
| 662 | R | 95.5 | Very high | 95.5 | Very high | 81 Ų | 81 | 21 Ų | 21 | 31% | 0.306 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.8 | -71.8 | 167.2 | 179.8 | -166.6 | -4.4 | 111.6 | L625 L658 D659 F665 L666 F701 | L625-R662 HydrophobicContact CD1-CB 4.34Å; L658-R662 VanDerWaalsContact O-CG 3.27Å; L658-R662 WeakPolarHBondContact O-CG 3.42Å; L658-R662 PolarHBondContact O-N 3.45Å; D659-R662 PolarHBondContact O-N 3.48Å; D659-R662 IonicContact OD1-NH1 3.68Å; R662-F665 PolarHBondContact O-N 3.35Å; R662-L666 VanDerWaalsContact O-CB 3.26Å; R662-L666 WeakPolarHBondContact O-CB 3.41Å; R662-L666 PolarHBondContact O-N 3.29Å; R662-F701 HydrophobicContact CG-CE1 4.3Å; R662-F701 HydrophobicContact CG-CZ 4.3Å |
| 663 | A | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.5 | -54 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L625 I648 I651 D659 K660 F665 L666 V667 | L625-A663 HydrophobicContact CD2-CB 3.74Å; I648-A663 HydrophobicContact CD1-CB 4.23Å; I651-A663 HydrophobicContact CD1-CB 4.24Å; I651-A663 HydrophobicContact CG2-CB 4.01Å; D659-A663 VanDerWaalsContact O-CB 3.26Å; D659-A663 WeakPolarHBondContact O-CB 3.22Å; D659-A663 PolarHBondContact O-N 3.45Å; K660-A663 PolarHBondContact O-N 3.25Å; A663-F665 VanDerWaalsContact C-N 3.31Å; A663-F665 PolarHBondContact O-N 3.03Å; A663-L666 PolarHBondContact O-N 3.18Å; A663-L666 VanDerWaalsContact O-N 3.13Å; A663-V667 WeakPolarHBondContact O-CG2 3.37Å; A663-V667 PolarHBondContact O-N 2.94Å |
| 664 | M | 97.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 17.5 Ų | 17.5 | 6% | 0.059 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.4 | -38 | -179.9 | -63 | -46.1 | -75.9 | 0 | 0 | 112.1 | I648 L652 K660 L666 A668 N693 E696 A697 Y700 | I648-M664 HydrophobicContact CD1-SD 3.94Å; L652-M664 HydrophobicContact CD1-SD 4.49Å; L652-M664 HydrophobicContact CD2-SD 4.38Å; K660-M664 WeakPolarHBondContact O-CG 3.45Å; K660-M664 PolarHBondContact O-N 3.48Å; M664-L666 VanDerWaalsContact C-N 3.34Å; M664-L666 PolarHBondContact O-N 2.6Å; M664-A668 PolarHBondContact O-N 3.5Å; M664-A668 VanDerWaalsContact O-N 3.07Å; M664-N693 HydrophobicContact CE-CB 4.2Å; M664-N693 WeakPolarHBondContact CE-OD1 3.32Å; M664-E696 VanDerWaalsContact CE-OE2 3.29Å; M664-E696 WeakPolarHBondContact CE-OE2 3.48Å; M664-E696 HydrophobicContact CG-CG 4.24Å; M664-A697 HydrophobicContact CB-CB 3.92Å; M664-Y700 HydrophobicContact CG-CD2 4.36Å; M664-Y700 HydrophobicContact CG-CE2 4.05Å |
| 665 | F | 96.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 16.3 Ų | 16.3 | 4% | 0.039 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.1 | -173.9 | -155.9 | 0 | 0 | 0 | 111.9 | G661 R662 A663 A668 K669 L694 A697 F701 D712 V713 F716 | G661-F665 VanDerWaalsContact O-CB 3.31Å; G661-F665 WeakPolarHBondContact O-CB 3.28Å; G661-F665 PolarHBondContact O-N 2.97Å; R662-F665 PolarHBondContact O-N 3.35Å; A663-F665 VanDerWaalsContact C-N 3.31Å; A663-F665 PolarHBondContact O-N 3.03Å; F665-A668 PolarHBondContact O-N 2.84Å; F665-K669 HydrophobicContact CD2-CG 4.3Å; F665-K669 VanDerWaalsContact CE1-CE 3.49Å; F665-K669 HydrophobicContact CE2-CD 4.37Å; F665-K669 HydrophobicContact CE2-CG 4.2Å; F665-K669 HydrophobicContact CZ-CD 4.49Å; F665-K669 WeakPolarHBondContact O-CG 3.45Å; F665-K669 PolarHBondContact O-N 3.11Å; F665-L694 HydrophobicContact CD2-CD2 3.47Å; F665-L694 VanDerWaalsContact CD2-CD2 3.47Å; F665-L694 HydrophobicContact CE2-CD2 3.72Å; F665-A697 HydrophobicContact CB-CB 4.01Å; F665-F701 HydrophobicContact CB-CE2 4.36Å; F665-D712 HydrophobicContact CE1-CB 4.18Å; F665-D712 HydrophobicContact CZ-CB 4.11Å; F665-V713 HydrophobicContact CD1-CG2 4.27Å; F665-V713 HydrophobicContact CD2-CG2 3.94Å; F665-V713 HydrophobicContact CE1-CG2 4.36Å; F665-V713 HydrophobicContact CE2-CG2 4.04Å; F665-V713 HydrophobicContact CG-CG2 4.05Å; F665-V713 HydrophobicContact CZ-CG2 4.23Å; F665-F716 HydrophobicContact CE2-CB 4.29Å; F665-F716 HydrophobicContact CE2-CD2 4.07Å; F665-F716 HydrophobicContact CE2-CG 4.08Å; F665-F716 HydrophobicContact CZ-CD2 4.06Å; F665-F716 HydrophobicContact CZ-CE2 4.49Å |
| 666 | L | 95.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 6% | 0.063 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.4 | -38.4 | -179.5 | -175.4 | 56.5 | 0 | 0 | 0 | 112.3 | L625 A628 F629 L632 L644 R662 A663 M664 A668 K669 C670 | L625-L666 VanDerWaalsContact O-CD2 3.26Å; L625-L666 WeakPolarHBondContact O-CD2 3.3Å; A628-L666 HydrophobicContact CB-CD2 3.98Å; F629-L666 HydrophobicContact CB-CD1 4.18Å; F629-L666 HydrophobicContact CB-CD2 3.98Å; F629-L666 HydrophobicContact CD2-CD1 3.77Å; F629-L666 HydrophobicContact CG-CD1 4.47Å; L632-L666 HydrophobicContact CD2-CD1 3.74Å; L644-L666 HydrophobicContact CD1-CB 4.35Å; L644-L666 HydrophobicContact CD1-CD2 4.07Å; L644-L666 HydrophobicContact CD1-CG 3.74Å; L644-L666 HydrophobicContact CD2-CD2 3.84Å; L644-L666 HydrophobicContact CD2-CG 4.33Å; L644-L666 HydrophobicContact CG-CD2 4.49Å; R662-L666 VanDerWaalsContact O-CB 3.26Å; R662-L666 WeakPolarHBondContact O-CB 3.41Å; R662-L666 PolarHBondContact O-N 3.29Å; A663-L666 PolarHBondContact O-N 3.18Å; A663-L666 VanDerWaalsContact O-N 3.13Å; M664-L666 VanDerWaalsContact C-N 3.34Å; M664-L666 PolarHBondContact O-N 2.6Å; L666-A668 VanDerWaalsContact C-N 3.33Å; L666-A668 PolarHBondContact O-N 3.48Å; L666-K669 PolarHBondContact O-N 3.21Å; L666-C670 PolarHBondContact O-N 3.13Å; L666-C670 PolarHBondContact O-SG 3.05Å |
| 667 | V | 97.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 4% | 0.036 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.6 | -49.5 | 170.7 | 168 | 0 | 0 | 0 | 0 | 110.2 | L641 L644 I648 A663 K669 C670 Q671 | L641-V667 HydrophobicContact CD1-CG1 4.02Å; L644-V667 HydrophobicContact CB-CG2 4.23Å; L644-V667 HydrophobicContact CD1-CG2 4.09Å; I648-V667 HydrophobicContact CD1-CG2 3.82Å; A663-V667 WeakPolarHBondContact O-CG2 3.37Å; A663-V667 PolarHBondContact O-N 2.94Å; V667-K669 VanDerWaalsContact C-N 3.34Å; V667-K669 PolarHBondContact O-N 3.25Å; V667-C670 PolarHBondContact O-N 3.33Å; V667-Q671 HydrophobicContact CG1-CG 4.39Å; V667-Q671 WeakPolarHBondContact O-CG 3.3Å; V667-Q671 PolarHBondContact O-N 2.81Å |
| 668 | A | 96.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M664 F665 L666 C670 Q671 V672 A690 N693 L694 | M664-A668 PolarHBondContact O-N 3.5Å; M664-A668 VanDerWaalsContact O-N 3.07Å; F665-A668 PolarHBondContact O-N 2.84Å; L666-A668 VanDerWaalsContact C-N 3.33Å; L666-A668 PolarHBondContact O-N 3.48Å; A668-C670 PolarHBondContact O-N 2.69Å; A668-Q671 PolarHBondContact O-N 3.4Å; A668-V672 VanDerWaalsContact O-CG2 3.25Å; A668-V672 WeakPolarHBondContact O-CG2 3.43Å; A668-V672 PolarHBondContact O-N 2.98Å; A668-A690 HydrophobicContact CB-CB 4.29Å; A668-A690 WeakPolarHBondContact CB-O 3.49Å; A668-N693 HydrophobicContact CB-CB 3.98Å; A668-L694 HydrophobicContact CB-CD2 3.77Å; A668-L694 HydrophobicContact CB-CG 3.71Å |
| 669 | K | 95.5 | Very high | 94.4 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.3 | -69.5 | -178.5 | 179.5 | -176.7 | 0 | 112.4 | L632 F665 L666 V667 V672 A673 F716 | L632-K669 HydrophobicContact CD2-CB 3.65Å; L632-K669 HydrophobicContact CD2-CD 4.43Å; F665-K669 HydrophobicContact CD2-CG 4.3Å; F665-K669 VanDerWaalsContact CE1-CE 3.49Å; F665-K669 HydrophobicContact CE2-CD 4.37Å; F665-K669 HydrophobicContact CE2-CG 4.2Å; F665-K669 HydrophobicContact CZ-CD 4.49Å; F665-K669 WeakPolarHBondContact O-CG 3.45Å; F665-K669 PolarHBondContact O-N 3.11Å; L666-K669 PolarHBondContact O-N 3.21Å; V667-K669 VanDerWaalsContact C-N 3.34Å; V667-K669 PolarHBondContact O-N 3.25Å; K669-V672 PolarHBondContact O-N 3.03Å; K669-A673 WeakPolarHBondContact O-CB 3.23Å; K669-A673 PolarHBondContact O-N 3.4Å; K669-F716 HydrophobicContact CD-CZ 4.34Å; K669-F716 HydrophobicContact CG-CD1 4.44Å; K669-F716 HydrophobicContact CG-CE1 3.93Å; K669-F716 HydrophobicContact CG-CZ 4.12Å |
| 670 | C | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | L641 L666 V667 A668 V672 A673 S674 | L641-C670 HydrophobicContact CB-CB 4.11Å; L641-C670 HydrophobicContact CD1-CB 4.09Å; L666-C670 PolarHBondContact O-N 3.13Å; L666-C670 PolarHBondContact O-SG 3.05Å; V667-C670 PolarHBondContact O-N 3.33Å; A668-C670 PolarHBondContact O-N 2.69Å; C670-V672 VanDerWaalsContact C-N 3.35Å; C670-V672 PolarHBondContact O-N 2.99Å; C670-A673 PolarHBondContact O-N 3.32Å; C670-S674 WeakPolarHBondContact O-CB 3.31Å; C670-S674 PolarHBondContact O-N 2.93Å; C670-S674 PolarHBondContact O-OG 3.01Å |
| 671 | Q | 94.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 176.1 | -73.2 | 174.3 | -38.5 | 0 | 0 | 112 | L641 V667 A668 S674 A675 A690 N693 | L641-Q671 HydrophobicContact CD1-CG 4.27Å; L641-Q671 HydrophobicContact CD2-CG 4.44Å; V667-Q671 HydrophobicContact CG1-CG 4.39Å; V667-Q671 WeakPolarHBondContact O-CG 3.3Å; V667-Q671 PolarHBondContact O-N 2.81Å; A668-Q671 PolarHBondContact O-N 3.4Å; Q671-S674 PolarHBondContact O-N 3.26Å; Q671-A675 VanDerWaalsContact O-CB 3.28Å; Q671-A675 WeakPolarHBondContact O-CB 3.19Å; Q671-A675 PolarHBondContact O-N 2.89Å; Q671-A690 HydrophobicContact CB-CB 4.15Å; Q671-A690 VanDerWaalsContact OE1-CA 3.31Å; Q671-N693 PolarHBondContact NE2-ND2 3.21Å; Q671-N693 PolarHBondContact OE1-ND2 2.86Å |
| 672 | V | 94.8 | Very high | 93 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 21% | 0.212 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | A668 K669 C670 A675 L687 A690 L720 | A668-V672 VanDerWaalsContact O-CG2 3.25Å; A668-V672 WeakPolarHBondContact O-CG2 3.43Å; A668-V672 PolarHBondContact O-N 2.98Å; K669-V672 PolarHBondContact O-N 3.03Å; C670-V672 VanDerWaalsContact C-N 3.35Å; C670-V672 PolarHBondContact O-N 2.99Å; V672-A675 PolarHBondContact O-N 3.37Å; V672-L687 HydrophobicContact CB-CD2 4.4Å; V672-L687 HydrophobicContact CG1-CD2 4.28Å; V672-L687 HydrophobicContact CG2-CD2 3.99Å; V672-A690 HydrophobicContact CG2-CB 3.76Å; V672-L720 HydrophobicContact CG1-CD2 3.93Å; V672-L720 HydrophobicContact CG2-CD1 3.68Å; V672-L720 HydrophobicContact CG2-CD2 3.68Å; V672-L720 HydrophobicContact CG2-CG 4.29Å |
| 673 | A | 93.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L632 P637 K669 C670 A676 | L632-A673 HydrophobicContact CD1-CB 3.74Å; P637-A673 HydrophobicContact CB-CB 3.67Å; P637-A673 HydrophobicContact CG-CB 3.95Å; K669-A673 WeakPolarHBondContact O-CB 3.23Å; K669-A673 PolarHBondContact O-N 3.4Å; C670-A673 PolarHBondContact O-N 3.32Å; A673-A676 WeakPolarHBondContact O-CB 3.34Å; A673-A676 PolarHBondContact O-N 3.02Å |
| 674 | S | 92.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -38 | 174.1 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | C670 Q671 A676 S677 | C670-S674 WeakPolarHBondContact O-CB 3.31Å; C670-S674 PolarHBondContact O-N 2.93Å; C670-S674 PolarHBondContact O-OG 3.01Å; Q671-S674 PolarHBondContact O-N 3.26Å; S674-A676 PolarHBondContact O-N 3.1Å; S674-S677 PolarHBondContact O-N 2.67Å; S674-S677 PolarHBondContact O-OG 2.89Å |
| 675 | A | 92.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -65.2 | -10.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q671 V672 S677 Y678 K683 A686 L687 | Q671-A675 VanDerWaalsContact O-CB 3.28Å; Q671-A675 WeakPolarHBondContact O-CB 3.19Å; Q671-A675 PolarHBondContact O-N 2.89Å; V672-A675 PolarHBondContact O-N 3.37Å; A675-S677 PolarHBondContact O-N 3.27Å; A675-Y678 HydrophobicContact CB-CD2 4.11Å; A675-Y678 HydrophobicContact CB-CE2 4.46Å; A675-Y678 PolarHBondContact O-N 2.59Å; A675-K683 HydrophobicContact CB-CG 4.43Å; A675-K683 WeakPolarHBondContact O-CD 3.49Å; A675-A686 HydrophobicContact CB-CB 3.82Å; A675-L687 HydrophobicContact CB-CD2 4.31Å |
| 676 | A | 88.5 | Confident | 92.2 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -62 | -29.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A673 S674 | A673-A676 WeakPolarHBondContact O-CB 3.34Å; A673-A676 PolarHBondContact O-N 3.02Å; S674-A676 PolarHBondContact O-N 3.1Å |
| 677 | S | 87.3 | Confident | 92.1 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 62% | 0.622 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -91.8 | -3.4 | 179.6 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | S674 A675 | S674-S677 PolarHBondContact O-N 2.67Å; S674-S677 PolarHBondContact O-OG 2.89Å; A675-S677 PolarHBondContact O-N 3.27Å |
| 678 | Y | 90.1 | Very high | 92 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 35% | 0.353 | 31% | 0.312 | S | S | . | . | trans | -88.4 | 149.6 | -173.3 | -63.1 | -7 | 0 | 0 | 0 | 113 | A675 A686 | A675-Y678 HydrophobicContact CB-CD2 4.11Å; A675-Y678 HydrophobicContact CB-CE2 4.46Å; A675-Y678 PolarHBondContact O-N 2.59Å; Y678-A686 HydrophobicContact CD2-CB 4.15Å; Y678-A686 HydrophobicContact CE2-CB 4.17Å | ||
| 679 | D | 89.9 | Confident | 92 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 66% | 0.663 | 32% | 0.324 | S | S | * | . | trans | -69 | 155.8 | 171.5 | -61.6 | -40.9 | 0 | 0 | 0 | 112.4 | K682 K683 | D679-K682 PolarHBondContact O-N 3.38Å; D679-K683 PolarHBondContact O-N 3.41Å | ||
| 680 | Q | 82.8 | Confident | 92 | Very high | 141 Ų | 141 | 57.2 Ų | 57.2 | 66% | 0.659 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 105.4 | 165.9 | -63.8 | -64.1 | 0.4 | 0 | 0 | 107.5 | ||
| 681 | P | 87.4 | Confident | 92.1 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 56% | 0.558 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -116.2 | -12.1 | 47.1 | 38.6 | -34.2 | 0 | 0 | 0 | 116.4 | K683 A684 E685 | P681-K683 PolarHBondContact O-N 3.17Å; P681-A684 WeakPolarHBondContact O-CA 3.23Å; P681-A684 WeakPolarHBondContact O-CB 3.46Å; P681-A684 PolarHBondContact O-N 3.23Å; P681-E685 PolarHBondContact O-N 2.66Å |
| 682 | K | 91.1 | Very high | 92.2 | Very high | 132 Ų | 132 | 62.4 Ų | 62.4 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57 | -34.8 | -179.3 | -71.3 | -179.2 | 176.8 | 177.1 | 0 | 112.4 | D679 A684 E685 A686 | D679-K682 PolarHBondContact O-N 3.38Å; K682-A684 VanDerWaalsContact C-N 3.34Å; K682-E685 PolarHBondContact O-N 3.11Å; K682-A686 WeakPolarHBondContact O-CB 3.38Å; K682-A686 PolarHBondContact O-N 3.03Å |
| 683 | K | 91.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 62 Ų | 62 | 25% | 0.252 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 172.7 | -178.8 | 166.9 | -179.6 | 170.4 | 0 | 111.6 | A675 D679 P681 A686 L687 | A675-K683 HydrophobicContact CB-CG 4.43Å; A675-K683 WeakPolarHBondContact O-CD 3.49Å; D679-K683 PolarHBondContact O-N 3.41Å; P681-K683 PolarHBondContact O-N 3.17Å; K683-A686 PolarHBondContact O-N 3.17Å; K683-L687 VanDerWaalsContact O-CG 3.26Å; K683-L687 WeakPolarHBondContact O-CG 3.45Å; K683-L687 PolarHBondContact O-N 2.96Å |
| 684 | A | 91.9 | Very high | 92.5 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P681 K682 A686 L687 E688 L724 | P681-A684 WeakPolarHBondContact O-CA 3.23Å; P681-A684 WeakPolarHBondContact O-CB 3.46Å; P681-A684 PolarHBondContact O-N 3.23Å; K682-A684 VanDerWaalsContact C-N 3.34Å; A684-A686 PolarHBondContact O-N 3.31Å; A684-L687 PolarHBondContact O-N 3.41Å; A684-E688 WeakPolarHBondContact O-CG 3.44Å; A684-E688 PolarHBondContact O-N 2.82Å; A684-L724 HydrophobicContact CB-CD2 3.96Å |
| 685 | E | 93.2 | Very high | 92.8 | Very high | 122 Ų | 122 | 63.1 Ų | 63.1 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.1 | -45.7 | 176.3 | -66.5 | 173.8 | 177.3 | 0 | 0 | 112.1 | P681 K682 L687 E688 A689 | P681-E685 PolarHBondContact O-N 2.66Å; K682-E685 PolarHBondContact O-N 3.11Å; E685-L687 VanDerWaalsContact C-N 3.32Å; E685-L687 PolarHBondContact O-N 3.41Å; E685-E688 PolarHBondContact O-N 3.33Å; E685-A689 PolarHBondContact O-N 3.41Å |
| 686 | A | 92.9 | Very high | 93 | Very high | 19 Ų | 19 | 66.3 Ų | 66.3 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.7 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A675 Y678 K682 K683 A684 A690 | A675-A686 HydrophobicContact CB-CB 3.82Å; Y678-A686 HydrophobicContact CD2-CB 4.15Å; Y678-A686 HydrophobicContact CE2-CB 4.17Å; K682-A686 WeakPolarHBondContact O-CB 3.38Å; K682-A686 PolarHBondContact O-N 3.03Å; K683-A686 PolarHBondContact O-N 3.17Å; A684-A686 PolarHBondContact O-N 3.31Å; A686-A690 WeakPolarHBondContact O-CB 3.47Å; A686-A690 PolarHBondContact O-N 3.5Å |
| 687 | L | 95 | Very high | 93.5 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.9 | -35.4 | 175.4 | -67.3 | -173.5 | 0 | 0 | 0 | 112.2 | V672 A675 K683 A684 E685 A690 I691 L720 T723 L724 | V672-L687 HydrophobicContact CB-CD2 4.4Å; V672-L687 HydrophobicContact CG1-CD2 4.28Å; V672-L687 HydrophobicContact CG2-CD2 3.99Å; A675-L687 HydrophobicContact CB-CD2 4.31Å; K683-L687 VanDerWaalsContact O-CG 3.26Å; K683-L687 WeakPolarHBondContact O-CG 3.45Å; K683-L687 PolarHBondContact O-N 2.96Å; A684-L687 PolarHBondContact O-N 3.41Å; E685-L687 VanDerWaalsContact C-N 3.32Å; E685-L687 PolarHBondContact O-N 3.41Å; L687-A690 PolarHBondContact O-N 3.21Å; L687-I691 WeakPolarHBondContact O-CG1 3.3Å; L687-I691 PolarHBondContact O-N 3.47Å; L687-L720 HydrophobicContact CD2-CD2 3.98Å; L687-T723 HydrophobicContact CD1-CG2 3.7Å; L687-L724 HydrophobicContact CB-CD1 4.24Å; L687-L724 HydrophobicContact CB-CD2 4.14Å; L687-L724 HydrophobicContact CB-CG 4.31Å; L687-L724 HydrophobicContact CD1-CD2 4.23Å; L687-L724 HydrophobicContact CD1-CG 4.4Å |
| 688 | E | 94.6 | Very high | 94 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 174.5 | -71.5 | -172.8 | 150.8 | 0 | 0 | 111.5 | A684 E685 A690 I691 E692 L724 K726 | A684-E688 WeakPolarHBondContact O-CG 3.44Å; A684-E688 PolarHBondContact O-N 2.82Å; E685-E688 PolarHBondContact O-N 3.33Å; E688-A690 VanDerWaalsContact C-N 3.29Å; E688-A690 PolarHBondContact O-N 3.43Å; E688-I691 WeakPolarHBondContact O-CB 3.48Å; E688-I691 PolarHBondContact O-N 3.42Å; E688-E692 PolarHBondContact O-N 3.02Å; E688-E692 VanDerWaalsContact O-N 3.14Å; E688-L724 HydrophobicContact CG-CD1 3.81Å; E688-K726 IonicContact OE1-NZ 2.72Å; E688-K726 PolarHBondContact OE1-NZ 3.41Å |
| 689 | A | 95.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 61.8 Ų | 61.8 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | E685 I691 E692 N693 | E685-A689 PolarHBondContact O-N 3.41Å; A689-I691 VanDerWaalsContact C-N 3.3Å; A689-I691 PolarHBondContact O-N 3.02Å; A689-E692 PolarHBondContact O-N 3.18Å; A689-N693 PolarHBondContact O-N 3.45Å; A689-N693 VanDerWaalsContact O-N 3.16Å; A689-N693 PolarHBondContact O-ND2 3.3Å |
| 690 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A668 Q671 V672 A686 L687 E688 N693 L694 L720 | A668-A690 HydrophobicContact CB-CB 4.29Å; A668-A690 WeakPolarHBondContact CB-O 3.49Å; Q671-A690 HydrophobicContact CB-CB 4.15Å; Q671-A690 VanDerWaalsContact OE1-CA 3.31Å; V672-A690 HydrophobicContact CG2-CB 3.76Å; A686-A690 WeakPolarHBondContact O-CB 3.47Å; A686-A690 PolarHBondContact O-N 3.5Å; L687-A690 PolarHBondContact O-N 3.21Å; E688-A690 VanDerWaalsContact C-N 3.29Å; E688-A690 PolarHBondContact O-N 3.43Å; A690-N693 PolarHBondContact O-N 3.29Å; A690-L694 VanDerWaalsContact O-CG 3.25Å; A690-L694 WeakPolarHBondContact O-CG 3.33Å; A690-L694 PolarHBondContact O-N 2.86Å; A690-L720 HydrophobicContact CB-CD1 4.05Å |
| 691 | I | 97.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.9 | -71.6 | 164.3 | 0 | 0 | 0 | 111.5 | L687 E688 A689 L694 N695 L720 Y721 L724 | L687-I691 WeakPolarHBondContact O-CG1 3.3Å; L687-I691 PolarHBondContact O-N 3.47Å; E688-I691 WeakPolarHBondContact O-CB 3.48Å; E688-I691 PolarHBondContact O-N 3.42Å; A689-I691 VanDerWaalsContact C-N 3.3Å; A689-I691 PolarHBondContact O-N 3.02Å; I691-L694 PolarHBondContact O-N 2.87Å; I691-N695 PolarHBondContact O-N 3.26Å; I691-N695 PolarHBondContact O-ND2 3.45Å; I691-L720 HydrophobicContact CD1-CB 3.95Å; I691-L720 HydrophobicContact CG1-CB 3.93Å; I691-L720 HydrophobicContact CG1-CD1 3.86Å; I691-Y721 HydrophobicContact CD1-CD1 3.89Å; I691-Y721 HydrophobicContact CD1-CE1 3.76Å; I691-Y721 HydrophobicContact CD1-CG 4.49Å; I691-Y721 HydrophobicContact CG2-CE1 4.14Å; I691-Y721 HydrophobicContact CG2-CE2 4.47Å; I691-Y721 VanDerWaalsContact CG2-OH 3.31Å; I691-Y721 WeakPolarHBondContact CG2-OH 3.48Å; I691-L724 HydrophobicContact CD1-CD1 3.58Å |
| 692 | E | 97.4 | Very high | 95.8 | Very high | 136 Ų | 136 | 49 Ų | 49 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.3 | -48.3 | 174.4 | -66 | -177.9 | 168 | 0 | 0 | 111.2 | E688 A689 L694 N695 E696 | E688-E692 PolarHBondContact O-N 3.02Å; E688-E692 VanDerWaalsContact O-N 3.14Å; A689-E692 PolarHBondContact O-N 3.18Å; E692-L694 VanDerWaalsContact C-N 3.3Å; E692-L694 PolarHBondContact O-N 3.39Å; E692-N695 WeakPolarHBondContact O-CB 3.44Å; E692-N695 PolarHBondContact O-N 3.13Å; E692-E696 PolarHBondContact O-N 2.89Å |
| 693 | N | 97.3 | Very high | 96 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.144 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 175.7 | -70.5 | -37.1 | 0 | 0 | 0 | 112.6 | M664 A668 Q671 A689 A690 E696 A697 | M664-N693 HydrophobicContact CE-CB 4.2Å; M664-N693 WeakPolarHBondContact CE-OD1 3.32Å; A668-N693 HydrophobicContact CB-CB 3.98Å; Q671-N693 PolarHBondContact NE2-ND2 3.21Å; Q671-N693 PolarHBondContact OE1-ND2 2.86Å; A689-N693 PolarHBondContact O-N 3.45Å; A689-N693 VanDerWaalsContact O-N 3.16Å; A689-N693 PolarHBondContact O-ND2 3.3Å; A690-N693 PolarHBondContact O-N 3.29Å; N693-E696 PolarHBondContact O-N 2.8Å; N693-A697 WeakPolarHBondContact O-CB 3.34Å; N693-A697 PolarHBondContact O-N 3.25Å |
| 694 | L | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 173.3 | -71.1 | 171.5 | 0 | 0 | 0 | 112.4 | F665 A668 A690 I691 E692 E696 A697 K698 V713 F716 Q717 L720 | F665-L694 HydrophobicContact CD2-CD2 3.47Å; F665-L694 VanDerWaalsContact CD2-CD2 3.47Å; F665-L694 HydrophobicContact CE2-CD2 3.72Å; A668-L694 HydrophobicContact CB-CD2 3.77Å; A668-L694 HydrophobicContact CB-CG 3.71Å; A690-L694 VanDerWaalsContact O-CG 3.25Å; A690-L694 WeakPolarHBondContact O-CG 3.33Å; A690-L694 PolarHBondContact O-N 2.86Å; I691-L694 PolarHBondContact O-N 2.87Å; E692-L694 VanDerWaalsContact C-N 3.3Å; E692-L694 PolarHBondContact O-N 3.39Å; L694-E696 VanDerWaalsContact C-N 3.33Å; L694-A697 PolarHBondContact O-N 3.19Å; L694-K698 VanDerWaalsContact O-CB 3.32Å; L694-K698 WeakPolarHBondContact O-CB 3.42Å; L694-K698 PolarHBondContact O-N 3.49Å; L694-V713 HydrophobicContact CB-CG1 4.04Å; L694-V713 HydrophobicContact CD2-CG1 4.07Å; L694-V713 VanDerWaalsContact O-CG1 3.31Å; L694-V713 WeakPolarHBondContact O-CG1 3.37Å; L694-F716 HydrophobicContact CD1-CB 4.09Å; L694-F716 HydrophobicContact CD2-CB 4.27Å; L694-Q717 HydrophobicContact CB-CG 3.81Å; L694-Q717 HydrophobicContact CD1-CG 3.76Å; L694-Q717 HydrophobicContact CG-CG 4.37Å; L694-L720 HydrophobicContact CD1-CD1 3.71Å |
| 695 | N | 98.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.8 | -72.9 | -39.2 | 0 | 0 | 0 | 110.9 | I691 E692 K698 N699 Q717 | I691-N695 PolarHBondContact O-N 3.26Å; I691-N695 PolarHBondContact O-ND2 3.45Å; E692-N695 WeakPolarHBondContact O-CB 3.44Å; E692-N695 PolarHBondContact O-N 3.13Å; N695-K698 WeakPolarHBondContact O-CB 3.33Å; N695-K698 PolarHBondContact O-N 2.89Å; N695-N699 PolarHBondContact O-N 3.48Å; N695-N699 PolarHBondContact O-ND2 3.33Å; N695-N699 PolarHBondContact O-OD1 2.79Å; N695-Q717 PolarHBondContact OD1-NE2 3.31Å |
| 696 | E | 97.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 44 Ų | 44 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 176.5 | -169 | 169.1 | -179.1 | 0 | 0 | 112 | M664 E692 N693 L694 K698 N699 Y700 | M664-E696 VanDerWaalsContact CE-OE2 3.29Å; M664-E696 WeakPolarHBondContact CE-OE2 3.48Å; M664-E696 HydrophobicContact CG-CG 4.24Å; E692-E696 PolarHBondContact O-N 2.89Å; N693-E696 PolarHBondContact O-N 2.8Å; L694-E696 VanDerWaalsContact C-N 3.33Å; E696-K698 VanDerWaalsContact C-N 3.28Å; E696-K698 PolarHBondContact O-N 3.35Å; E696-N699 WeakPolarHBondContact O-CB 3.23Å; E696-N699 PolarHBondContact O-N 3.4Å; E696-N699 VanDerWaalsContact O-N 3.1Å; E696-Y700 HydrophobicContact CG-CD2 4.07Å; E696-Y700 HydrophobicContact CG-CE2 3.58Å; E696-Y700 WeakPolarHBondContact O-CD2 3.31Å; E696-Y700 PolarHBondContact O-N 3.17Å; E696-Y700 PolarHBondContact OE1-OH 3.26Å; E696-Y700 VanDerWaalsContact OE1-OH 3.13Å |
| 697 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.6 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | G661 M664 F665 N693 L694 N699 Y700 F701 V713 | G661-A697 WeakPolarHBondContact O-CB 3.39Å; M664-A697 HydrophobicContact CB-CB 3.92Å; F665-A697 HydrophobicContact CB-CB 4.01Å; N693-A697 WeakPolarHBondContact O-CB 3.34Å; N693-A697 PolarHBondContact O-N 3.25Å; L694-A697 PolarHBondContact O-N 3.19Å; A697-N699 PolarHBondContact O-N 3.38Å; A697-Y700 PolarHBondContact O-N 3.32Å; A697-F701 HydrophobicContact CB-CE2 4.19Å; A697-F701 WeakPolarHBondContact O-CD2 3.49Å; A697-F701 WeakPolarHBondContact O-CG 3.5Å; A697-F701 PolarHBondContact O-N 2.71Å; A697-V713 HydrophobicContact CB-CG2 4.37Å |
| 698 | K | 97.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.1 | -176.2 | -179.9 | 175.4 | -175 | 0 | 111.8 | L694 N695 E696 Y700 F701 A702 I710 V713 V714 | L694-K698 VanDerWaalsContact O-CB 3.32Å; L694-K698 WeakPolarHBondContact O-CB 3.42Å; L694-K698 PolarHBondContact O-N 3.49Å; N695-K698 WeakPolarHBondContact O-CB 3.33Å; N695-K698 PolarHBondContact O-N 2.89Å; E696-K698 VanDerWaalsContact C-N 3.28Å; E696-K698 PolarHBondContact O-N 3.35Å; K698-Y700 VanDerWaalsContact C-N 3.3Å; K698-Y700 PolarHBondContact O-N 3.39Å; K698-F701 PolarHBondContact O-N 2.82Å; K698-A702 VanDerWaalsContact O-CB 3.29Å; K698-A702 WeakPolarHBondContact O-CB 3.3Å; K698-A702 PolarHBondContact O-N 3.48Å; K698-I710 HydrophobicContact CG-CG2 4.31Å; K698-V713 HydrophobicContact CB-CG1 3.96Å; K698-V714 HydrophobicContact CD-CG2 4.24Å |
| 699 | N | 97.7 | Very high | 95.6 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 54% | 0.54 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 178.5 | -69.4 | -19.8 | 0 | 0 | 0 | 111.3 | N695 E696 A697 A702 K703 | N695-N699 PolarHBondContact O-N 3.48Å; N695-N699 PolarHBondContact O-ND2 3.33Å; N695-N699 PolarHBondContact O-OD1 2.79Å; E696-N699 WeakPolarHBondContact O-CB 3.23Å; E696-N699 PolarHBondContact O-N 3.4Å; E696-N699 VanDerWaalsContact O-N 3.1Å; A697-N699 PolarHBondContact O-N 3.38Å; N699-A702 PolarHBondContact O-N 2.93Å; N699-K703 PolarHBondContact O-N 2.91Å |
| 700 | Y | 97.7 | Very high | 95.6 | Very high | 36 Ų | 36 | 47.5 Ų | 47.5 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -47 | 175.3 | -69.4 | -42 | 0 | 0 | 0 | 112.8 | L652 I657 K660 M664 E696 A697 K698 A702 K703 | L652-Y700 HydrophobicContact CD2-CE2 4.14Å; I657-Y700 HydrophobicContact CD1-CD1 3.27Å; I657-Y700 HydrophobicContact CD1-CE1 3.72Å; I657-Y700 HydrophobicContact CD1-CG 4.13Å; I657-Y700 HydrophobicContact CG1-CD1 4Å; K660-Y700 HydrophobicContact CB-CD1 4.39Å; K660-Y700 HydrophobicContact CB-CD2 3.72Å; K660-Y700 HydrophobicContact CB-CE1 4.36Å; K660-Y700 HydrophobicContact CB-CE2 3.66Å; K660-Y700 HydrophobicContact CB-CG 4.07Å; K660-Y700 HydrophobicContact CD-CE1 4.3Å; M664-Y700 HydrophobicContact CG-CD2 4.36Å; M664-Y700 HydrophobicContact CG-CE2 4.05Å; E696-Y700 HydrophobicContact CG-CD2 4.07Å; E696-Y700 HydrophobicContact CG-CE2 3.58Å; E696-Y700 WeakPolarHBondContact O-CD2 3.31Å; E696-Y700 PolarHBondContact O-N 3.17Å; E696-Y700 PolarHBondContact OE1-OH 3.26Å; E696-Y700 VanDerWaalsContact OE1-OH 3.13Å; A697-Y700 PolarHBondContact O-N 3.32Å; K698-Y700 VanDerWaalsContact C-N 3.3Å; K698-Y700 PolarHBondContact O-N 3.39Å; Y700-A702 VanDerWaalsContact C-N 3.27Å; Y700-A702 PolarHBondContact O-N 3.45Å; Y700-K703 WeakPolarHBondContact O-CB 3.45Å; Y700-K703 PolarHBondContact O-N 3.02Å |
| 701 | F | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -30.4 | 177.1 | -63.5 | -45.5 | 0 | 0 | 0 | 113.1 | L658 G661 R662 F665 A697 K698 K703 V704 D705 C706 R709 I710 V713 | L658-F701 HydrophobicContact CD2-CD1 4.29Å; G661-F701 WeakPolarHBondContact O-CZ 3.37Å; R662-F701 HydrophobicContact CG-CE1 4.3Å; R662-F701 HydrophobicContact CG-CZ 4.3Å; F665-F701 HydrophobicContact CB-CE2 4.36Å; A697-F701 HydrophobicContact CB-CE2 4.19Å; A697-F701 WeakPolarHBondContact O-CD2 3.49Å; A697-F701 WeakPolarHBondContact O-CG 3.5Å; A697-F701 PolarHBondContact O-N 2.71Å; K698-F701 PolarHBondContact O-N 2.82Å; F701-K703 VanDerWaalsContact C-N 3.33Å; F701-V704 WeakPolarHBondContact O-CG2 3.26Å; F701-V704 PolarHBondContact O-N 3.08Å; F701-D705 PolarHBondContact O-N 3.37Å; F701-C706 HydrophobicContact CB-CB 4.4Å; F701-C706 PolarHBondContact O-N 3.08Å; F701-R709 HydrophobicContact CB-CB 4.35Å; F701-R709 HydrophobicContact CD1-CB 3.9Å; F701-R709 HydrophobicContact CD1-CG 4.34Å; F701-R709 HydrophobicContact CD2-CB 3.66Å; F701-R709 HydrophobicContact CE1-CB 4.05Å; F701-R709 HydrophobicContact CE1-CG 4.2Å; F701-R709 HydrophobicContact CE2-CB 3.82Å; F701-R709 HydrophobicContact CG-CB 3.71Å; F701-R709 HydrophobicContact CZ-CB 4Å; F701-R709 HydrophobicContact CZ-CG 4.33Å; F701-I710 HydrophobicContact CB-CD1 4.43Å; F701-I710 HydrophobicContact CB-CG1 3.71Å; F701-V713 HydrophobicContact CD2-CG2 4.04Å; F701-V713 HydrophobicContact CE2-CG2 3.9Å |
| 702 | A | 95.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 49 Ų | 49 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -33.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K698 N699 Y700 V704 D705 I710 | K698-A702 VanDerWaalsContact O-CB 3.29Å; K698-A702 WeakPolarHBondContact O-CB 3.3Å; K698-A702 PolarHBondContact O-N 3.48Å; N699-A702 PolarHBondContact O-N 2.93Å; Y700-A702 VanDerWaalsContact C-N 3.27Å; Y700-A702 PolarHBondContact O-N 3.45Å; A702-V704 PolarHBondContact O-N 3.43Å; A702-V704 VanDerWaalsContact O-N 3.15Å; A702-D705 PolarHBondContact O-N 2.7Å; A702-I710 HydrophobicContact CB-CD1 4.28Å |
| 703 | K | 95.3 | Very high | 95.1 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 54% | 0.539 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18 | 176.6 | -72.6 | 179.7 | 177.6 | -174.3 | 0 | 114 | I657 N699 Y700 F701 | I657-K703 HydrophobicContact CD1-CD 4.03Å; I657-K703 HydrophobicContact CG1-CB 4.25Å; I657-K703 HydrophobicContact CG1-CD 4.08Å; N699-K703 PolarHBondContact O-N 2.91Å; Y700-K703 WeakPolarHBondContact O-CB 3.45Å; Y700-K703 PolarHBondContact O-N 3.02Å; F701-K703 VanDerWaalsContact C-N 3.33Å |
| 704 | V | 93.9 | Very high | 95 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 13.9 | 179.3 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | F483 I657 L658 F701 A702 C706 | F483-V704 HydrophobicContact CE2-CB 4.25Å; F483-V704 HydrophobicContact CE2-CG1 3.93Å; F483-V704 HydrophobicContact CZ-CG1 4.22Å; I657-V704 HydrophobicContact CG2-CB 4.42Å; I657-V704 HydrophobicContact CG2-CG1 3.19Å; I657-V704 HydrophobicContact CG2-CG2 4.39Å; L658-V704 HydrophobicContact CD2-CG2 3.59Å; L658-V704 HydrophobicContact CG-CG2 4.1Å; F701-V704 WeakPolarHBondContact O-CG2 3.26Å; F701-V704 PolarHBondContact O-N 3.08Å; A702-V704 PolarHBondContact O-N 3.43Å; A702-V704 VanDerWaalsContact O-N 3.15Å; V704-C706 HydrophobicContact CG2-CB 4.03Å; V704-C706 PolarHBondContact O-N 3.42Å; V704-C706 VanDerWaalsContact O-N 3.1Å |
| 705 | D | 90.8 | Very high | 94.8 | Very high | 98 Ų | 98 | 45 Ų | 45 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 31.9 | -179.9 | -62.9 | -48 | 0 | 0 | 0 | 114.1 | F701 A702 K707 | F701-D705 PolarHBondContact O-N 3.37Å; A702-D705 PolarHBondContact O-N 2.7Å; D705-K707 VanDerWaalsContact C-N 3.32Å; D705-K707 PolarHBondContact O-N 3.12Å |
| 706 | C | 92.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | trans | -80.6 | 77.9 | -177.1 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | N521 L658 F701 V704 E708 R709 I710 | N521-C706 WeakPolarHBondContact O-CA 3.35Å; L658-C706 HydrophobicContact CD2-CB 4.36Å; F701-C706 HydrophobicContact CB-CB 4.4Å; F701-C706 PolarHBondContact O-N 3.08Å; V704-C706 HydrophobicContact CG2-CB 4.03Å; V704-C706 PolarHBondContact O-N 3.42Å; V704-C706 VanDerWaalsContact O-N 3.1Å; C706-E708 VanDerWaalsContact C-N 3.3Å; C706-E708 PolarHBondContact O-N 3.1Å; C706-R709 PolarHBondContact O-N 3.24Å; C706-R709 VanDerWaalsContact SG-CG 3.51Å; C706-I710 WeakPolarHBondContact O-CG1 3.42Å; C706-I710 PolarHBondContact O-N 3.49Å; C706-I710 VanDerWaalsContact O-N 3.07Å | ||
| 707 | K | 91 | Very high | 94.7 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 30% | 0.3 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.1 | -37.7 | -173.5 | -66.5 | -175.3 | -178.4 | -168.1 | 0 | 113.8 | D705 R709 I710 R711 L740 E743 L744 | D705-K707 VanDerWaalsContact C-N 3.32Å; D705-K707 PolarHBondContact O-N 3.12Å; K707-R709 PolarHBondContact O-N 3.49Å; K707-I710 PolarHBondContact O-N 2.93Å; K707-R711 WeakPolarHBondContact O-CB 3.19Å; K707-R711 PolarHBondContact O-N 3.35Å; K707-L740 HydrophobicContact CB-CD2 4.4Å; K707-L740 HydrophobicContact CG-CD2 4.39Å; K707-E743 IonicContact NZ-OE2 3.98Å; K707-E743 PolarHBondContact NZ-OE2 3.41Å; K707-L744 HydrophobicContact CB-CD1 4.37Å; K707-L744 HydrophobicContact CB-CD2 3.99Å; K707-L744 HydrophobicContact CB-CG 4.4Å |
| 708 | E | 89.1 | Confident | 94.6 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 178.9 | -64.2 | -170.1 | 145.9 | 0 | 0 | 111.8 | Y525 C706 R711 D712 L744 | Y525-E708 VanDerWaalsContact OH-CD 3.27Å; Y525-E708 PolarHBondContact OH-OE1 3.33Å; Y525-E708 PolarHBondContact OH-OE2 2.96Å; C706-E708 VanDerWaalsContact C-N 3.3Å; C706-E708 PolarHBondContact O-N 3.1Å; E708-R711 WeakPolarHBondContact O-CB 3.42Å; E708-R711 PolarHBondContact O-N 3.01Å; E708-D712 VanDerWaalsContact O-CG 3.3Å; E708-D712 PolarHBondContact O-N 3.34Å; E708-D712 VanDerWaalsContact O-N 3.14Å; E708-L744 HydrophobicContact CB-CD1 4.45Å; E708-L744 HydrophobicContact CG-CD1 3.98Å; E708-L744 HydrophobicContact CG-CD2 3.63Å; E708-L744 HydrophobicContact CG-CG 4.43Å |
| 709 | R | 92.4 | Very high | 94.4 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.9 | -37.2 | 179.1 | -62 | -60.9 | -173.4 | 177.7 | 5.9 | 111.7 | F701 C706 K707 R711 D712 V713 | F701-R709 HydrophobicContact CB-CB 4.35Å; F701-R709 HydrophobicContact CD1-CB 3.9Å; F701-R709 HydrophobicContact CD1-CG 4.34Å; F701-R709 HydrophobicContact CD2-CB 3.66Å; F701-R709 HydrophobicContact CE1-CB 4.05Å; F701-R709 HydrophobicContact CE1-CG 4.2Å; F701-R709 HydrophobicContact CE2-CB 3.82Å; F701-R709 HydrophobicContact CG-CB 3.71Å; F701-R709 HydrophobicContact CZ-CB 4Å; F701-R709 HydrophobicContact CZ-CG 4.33Å; C706-R709 PolarHBondContact O-N 3.24Å; C706-R709 VanDerWaalsContact SG-CG 3.51Å; K707-R709 PolarHBondContact O-N 3.49Å; R709-R711 VanDerWaalsContact C-N 3.32Å; R709-R711 PolarHBondContact O-N 3.44Å; R709-D712 PolarHBondContact O-N 3.12Å; R709-V713 WeakPolarHBondContact O-CG2 2.98Å; R709-V713 PolarHBondContact O-N 3.19Å |
| 710 | I | 94.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 173.6 | -63.6 | 167.4 | 0 | 0 | 0 | 110.4 | K698 F701 A702 C706 K707 D712 V713 V714 L740 | K698-I710 HydrophobicContact CG-CG2 4.31Å; F701-I710 HydrophobicContact CB-CD1 4.43Å; F701-I710 HydrophobicContact CB-CG1 3.71Å; A702-I710 HydrophobicContact CB-CD1 4.28Å; C706-I710 WeakPolarHBondContact O-CG1 3.42Å; C706-I710 PolarHBondContact O-N 3.49Å; C706-I710 VanDerWaalsContact O-N 3.07Å; K707-I710 PolarHBondContact O-N 2.93Å; I710-D712 VanDerWaalsContact C-N 3.33Å; I710-D712 PolarHBondContact O-N 2.91Å; I710-V713 PolarHBondContact O-N 3.47Å; I710-V714 HydrophobicContact CG2-CG2 4.2Å; I710-V714 WeakPolarHBondContact O-CB 3.33Å; I710-V714 VanDerWaalsContact O-CG2 3.23Å; I710-V714 WeakPolarHBondContact O-CG2 3.39Å; I710-V714 PolarHBondContact O-N 3.48Å; I710-L740 HydrophobicContact CB-CD1 4.28Å; I710-L740 HydrophobicContact CG2-CD1 3.65Å |
| 711 | R | 92.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 38 Ų | 38 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 175.9 | -179.4 | -160.7 | 65.3 | -159 | -2.2 | 110.9 | K707 E708 R709 V713 V714 Y715 F737 L740 L744 | K707-R711 WeakPolarHBondContact O-CB 3.19Å; K707-R711 PolarHBondContact O-N 3.35Å; E708-R711 WeakPolarHBondContact O-CB 3.42Å; E708-R711 PolarHBondContact O-N 3.01Å; R709-R711 VanDerWaalsContact C-N 3.32Å; R709-R711 PolarHBondContact O-N 3.44Å; R711-V713 PolarHBondContact O-N 2.96Å; R711-V714 PolarHBondContact O-N 3.3Å; R711-Y715 WeakPolarHBondContact O-CB 3.31Å; R711-Y715 PolarHBondContact O-N 2.89Å; R711-F737 HydrophobicContact CG-CD2 3.5Å; R711-F737 VanDerWaalsContact CG-CD2 3.5Å; R711-F737 HydrophobicContact CG-CE2 3.59Å; R711-L740 HydrophobicContact CB-CB 4.1Å; R711-L740 HydrophobicContact CB-CD1 4.29Å; R711-L740 HydrophobicContact CG-CB 4.34Å; R711-L744 HydrophobicContact CB-CD1 4.28Å |
| 712 | D | 92.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | -179.3 | -65.1 | -5.9 | 0 | 0 | 0 | 112.1 | F665 E708 R709 I710 F716 I752 | F665-D712 HydrophobicContact CE1-CB 4.18Å; F665-D712 HydrophobicContact CZ-CB 4.11Å; E708-D712 VanDerWaalsContact O-CG 3.3Å; E708-D712 PolarHBondContact O-N 3.34Å; E708-D712 VanDerWaalsContact O-N 3.14Å; R709-D712 PolarHBondContact O-N 3.12Å; I710-D712 VanDerWaalsContact C-N 3.33Å; I710-D712 PolarHBondContact O-N 2.91Å; D712-F716 PolarHBondContact O-N 3.48Å; D712-F716 VanDerWaalsContact O-N 3.13Å; D712-I752 HydrophobicContact CB-CD1 3.87Å |
| 713 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 111 | F665 L694 A697 K698 F701 R709 I710 R711 Y715 F716 Q717 | F665-V713 HydrophobicContact CD1-CG2 4.27Å; F665-V713 HydrophobicContact CD2-CG2 3.94Å; F665-V713 HydrophobicContact CE1-CG2 4.36Å; F665-V713 HydrophobicContact CE2-CG2 4.04Å; F665-V713 HydrophobicContact CG-CG2 4.05Å; F665-V713 HydrophobicContact CZ-CG2 4.23Å; L694-V713 HydrophobicContact CB-CG1 4.04Å; L694-V713 HydrophobicContact CD2-CG1 4.07Å; L694-V713 VanDerWaalsContact O-CG1 3.31Å; L694-V713 WeakPolarHBondContact O-CG1 3.37Å; A697-V713 HydrophobicContact CB-CG2 4.37Å; K698-V713 HydrophobicContact CB-CG1 3.96Å; F701-V713 HydrophobicContact CD2-CG2 4.04Å; F701-V713 HydrophobicContact CE2-CG2 3.9Å; R709-V713 WeakPolarHBondContact O-CG2 2.98Å; R709-V713 PolarHBondContact O-N 3.19Å; I710-V713 PolarHBondContact O-N 3.47Å; R711-V713 PolarHBondContact O-N 2.96Å; V713-Y715 VanDerWaalsContact C-N 3.3Å; V713-Y715 PolarHBondContact O-N 3.38Å; V713-F716 WeakPolarHBondContact O-CB 3.46Å; V713-F716 PolarHBondContact O-N 2.95Å; V713-F716 VanDerWaalsContact O-N 3.12Å; V713-Q717 HydrophobicContact CG1-CG 4.42Å; V713-Q717 WeakPolarHBondContact O-CG 3.33Å; V713-Q717 PolarHBondContact O-N 3.3Å |
| 714 | V | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -34.1 | -178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | K698 I710 R711 Q717 A718 C733 L736 F737 | K698-V714 HydrophobicContact CD-CG2 4.24Å; I710-V714 HydrophobicContact CG2-CG2 4.2Å; I710-V714 WeakPolarHBondContact O-CB 3.33Å; I710-V714 VanDerWaalsContact O-CG2 3.23Å; I710-V714 WeakPolarHBondContact O-CG2 3.39Å; I710-V714 PolarHBondContact O-N 3.48Å; R711-V714 PolarHBondContact O-N 3.3Å; V714-Q717 PolarHBondContact O-N 3.43Å; V714-A718 PolarHBondContact O-N 3.46Å; V714-C733 HydrophobicContact CG1-CB 3.79Å; V714-C733 WeakPolarHBondContact CG1-O 3.48Å; V714-L736 HydrophobicContact CG1-CB 4.09Å; V714-L736 HydrophobicContact CG1-CD2 4.16Å; V714-L736 HydrophobicContact CG1-CG 4.23Å; V714-L736 HydrophobicContact CG2-CD2 3.73Å; V714-L736 HydrophobicContact CG2-CG 4.36Å; V714-F737 HydrophobicContact CG1-CB 4.18Å |
| 715 | Y | 94.5 | Very high | 93.7 | Very high | 81 Ų | 81 | 43.8 Ų | 43.8 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 170.2 | 173.9 | -104.9 | 0 | 0 | 0 | 111.6 | R711 V713 Q717 A718 R719 F737 I752 | R711-Y715 WeakPolarHBondContact O-CB 3.31Å; R711-Y715 PolarHBondContact O-N 2.89Å; V713-Y715 VanDerWaalsContact C-N 3.3Å; V713-Y715 PolarHBondContact O-N 3.38Å; Y715-Q717 PolarHBondContact O-N 3.03Å; Y715-A718 PolarHBondContact O-N 2.89Å; Y715-R719 PolarHBondContact O-N 3.08Å; Y715-F737 HydrophobicContact CD2-CD2 4.37Å; Y715-F737 HydrophobicContact CD2-CE2 4.12Å; Y715-F737 HydrophobicContact CD2-CZ 4.39Å; Y715-F737 HydrophobicContact CG-CD2 4.48Å; Y715-F737 HydrophobicContact CG-CE2 4.3Å; Y715-I752 HydrophobicContact CD1-CD1 3.77Å; Y715-I752 HydrophobicContact CE1-CD1 4.28Å |
| 716 | F | 94.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 175.1 | -101.1 | -98.7 | 0 | 0 | 0 | 111.6 | F665 K669 L694 D712 V713 A718 R719 L720 I752 | F665-F716 HydrophobicContact CE2-CB 4.29Å; F665-F716 HydrophobicContact CE2-CD2 4.07Å; F665-F716 HydrophobicContact CE2-CG 4.08Å; F665-F716 HydrophobicContact CZ-CD2 4.06Å; F665-F716 HydrophobicContact CZ-CE2 4.49Å; K669-F716 HydrophobicContact CD-CZ 4.34Å; K669-F716 HydrophobicContact CG-CD1 4.44Å; K669-F716 HydrophobicContact CG-CE1 3.93Å; K669-F716 HydrophobicContact CG-CZ 4.12Å; L694-F716 HydrophobicContact CD1-CB 4.09Å; L694-F716 HydrophobicContact CD2-CB 4.27Å; D712-F716 PolarHBondContact O-N 3.48Å; D712-F716 VanDerWaalsContact O-N 3.13Å; V713-F716 WeakPolarHBondContact O-CB 3.46Å; V713-F716 PolarHBondContact O-N 2.95Å; V713-F716 VanDerWaalsContact O-N 3.12Å; F716-A718 VanDerWaalsContact C-N 3.33Å; F716-A718 PolarHBondContact O-N 3.45Å; F716-R719 PolarHBondContact O-N 3.26Å; F716-R719 VanDerWaalsContact O-N 3.14Å; F716-L720 WeakPolarHBondContact O-CG 3.43Å; F716-L720 PolarHBondContact O-N 3.04Å; F716-I752 HydrophobicContact CD2-CD1 4.47Å; F716-I752 HydrophobicContact CE2-CD1 4.35Å; F716-I752 HydrophobicContact CE2-CG2 4.35Å |
| 717 | Q | 96.8 | Very high | 94 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57 | -44.4 | 176.6 | -69.9 | -177.2 | -42.6 | 0 | 0 | 112.2 | L694 N695 V713 V714 Y715 R719 L720 Y721 | L694-Q717 HydrophobicContact CB-CG 3.81Å; L694-Q717 HydrophobicContact CD1-CG 3.76Å; L694-Q717 HydrophobicContact CG-CG 4.37Å; N695-Q717 PolarHBondContact OD1-NE2 3.31Å; V713-Q717 HydrophobicContact CG1-CG 4.42Å; V713-Q717 WeakPolarHBondContact O-CG 3.33Å; V713-Q717 PolarHBondContact O-N 3.3Å; V714-Q717 PolarHBondContact O-N 3.43Å; Y715-Q717 PolarHBondContact O-N 3.03Å; Q717-R719 VanDerWaalsContact C-N 3.32Å; Q717-R719 PolarHBondContact O-N 2.8Å; Q717-L720 PolarHBondContact O-N 3.31Å; Q717-Y721 HydrophobicContact CB-CD2 4.29Å; Q717-Y721 HydrophobicContact CB-CE2 4.16Å; Q717-Y721 WeakPolarHBondContact O-CB 3.42Å; Q717-Y721 WeakPolarHBondContact O-CD2 3.35Å; Q717-Y721 PolarHBondContact O-N 3.46Å |
| 718 | A | 95.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V714 Y715 F716 H722 R730 C733 | V714-A718 PolarHBondContact O-N 3.46Å; Y715-A718 PolarHBondContact O-N 2.89Å; F716-A718 VanDerWaalsContact C-N 3.33Å; F716-A718 PolarHBondContact O-N 3.45Å; A718-H722 WeakPolarHBondContact O-CB 3.48Å; A718-H722 PolarHBondContact O-N 3.13Å; A718-R730 WeakPolarHBondContact O-CG 3.4Å; A718-C733 HydrophobicContact CB-CB 3.75Å |
| 719 | R | 94.8 | Very high | 94.5 | Very high | 111 Ų | 111 | 51.7 Ų | 51.7 | 42% | 0.419 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.3 | -68.4 | -179 | 69.3 | -166 | 2.2 | 111.6 | Y715 F716 Q717 H722 T723 | Y715-R719 PolarHBondContact O-N 3.08Å; F716-R719 PolarHBondContact O-N 3.26Å; F716-R719 VanDerWaalsContact O-N 3.14Å; Q717-R719 VanDerWaalsContact C-N 3.32Å; Q717-R719 PolarHBondContact O-N 2.8Å; R719-H722 WeakPolarHBondContact O-CB 3.43Å; R719-H722 PolarHBondContact O-N 2.96Å; R719-T723 PolarHBondContact O-N 3.23Å; R719-T723 PolarHBondContact O-OG1 2.62Å; R719-T723 VanDerWaalsContact O-OG1 3.14Å |
| 720 | L | 95 | Very high | 94.7 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67 | -44.3 | -179.3 | -60.7 | -169.2 | 0 | 0 | 0 | 112.5 | V672 L687 A690 I691 L694 F716 Q717 H722 T723 L724 | V672-L720 HydrophobicContact CG1-CD2 3.93Å; V672-L720 HydrophobicContact CG2-CD1 3.68Å; V672-L720 HydrophobicContact CG2-CD2 3.68Å; V672-L720 HydrophobicContact CG2-CG 4.29Å; L687-L720 HydrophobicContact CD2-CD2 3.98Å; A690-L720 HydrophobicContact CB-CD1 4.05Å; I691-L720 HydrophobicContact CD1-CB 3.95Å; I691-L720 HydrophobicContact CG1-CB 3.93Å; I691-L720 HydrophobicContact CG1-CD1 3.86Å; L694-L720 HydrophobicContact CD1-CD1 3.71Å; F716-L720 WeakPolarHBondContact O-CG 3.43Å; F716-L720 PolarHBondContact O-N 3.04Å; Q717-L720 PolarHBondContact O-N 3.31Å; L720-H722 VanDerWaalsContact C-N 3.26Å; L720-H722 PolarHBondContact O-N 2.91Å; L720-T723 PolarHBondContact O-N 3.36Å; L720-T723 VanDerWaalsContact O-N 3.13Å; L720-L724 PolarHBondContact O-N 3.35Å |
| 721 | Y | 96.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 174.6 | -74.9 | -53.4 | 0 | 0 | 0 | 112.3 | I691 Q717 L724 G725 K726 E729 | I691-Y721 HydrophobicContact CD1-CD1 3.89Å; I691-Y721 HydrophobicContact CD1-CE1 3.76Å; I691-Y721 HydrophobicContact CD1-CG 4.49Å; I691-Y721 HydrophobicContact CG2-CE1 4.14Å; I691-Y721 HydrophobicContact CG2-CE2 4.47Å; I691-Y721 VanDerWaalsContact CG2-OH 3.31Å; I691-Y721 WeakPolarHBondContact CG2-OH 3.48Å; Q717-Y721 HydrophobicContact CB-CD2 4.29Å; Q717-Y721 HydrophobicContact CB-CE2 4.16Å; Q717-Y721 WeakPolarHBondContact O-CB 3.42Å; Q717-Y721 WeakPolarHBondContact O-CD2 3.35Å; Q717-Y721 PolarHBondContact O-N 3.46Å; Y721-L724 PolarHBondContact O-N 3.38Å; Y721-G725 PolarHBondContact O-N 2.91Å; Y721-G725 VanDerWaalsContact O-N 3.15Å; Y721-K726 HydrophobicContact CD1-CB 3.8Å; Y721-K726 HydrophobicContact CD1-CD 3.88Å; Y721-K726 HydrophobicContact CD1-CG 4.42Å; Y721-K726 HydrophobicContact CE1-CD 4.13Å; Y721-K726 HydrophobicContact CG-CB 4.41Å; Y721-K726 PolarHBondContact O-N 3.43Å; Y721-E729 HydrophobicContact CD1-CB 3.71Å; Y721-E729 HydrophobicContact CD1-CG 4.34Å; Y721-E729 HydrophobicContact CD2-CB 3.71Å; Y721-E729 HydrophobicContact CE1-CB 3.83Å; Y721-E729 HydrophobicContact CE1-CG 4.12Å; Y721-E729 HydrophobicContact CE2-CB 3.85Å; Y721-E729 HydrophobicContact CG-CB 3.65Å |
| 722 | H | 95.3 | Very high | 94.9 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 172.9 | -178.2 | 46.7 | 0 | 0 | 0 | 111.9 | A718 R719 L720 L724 G725 R730 | A718-H722 WeakPolarHBondContact O-CB 3.48Å; A718-H722 PolarHBondContact O-N 3.13Å; R719-H722 WeakPolarHBondContact O-CB 3.43Å; R719-H722 PolarHBondContact O-N 2.96Å; L720-H722 VanDerWaalsContact C-N 3.26Å; L720-H722 PolarHBondContact O-N 2.91Å; H722-L724 VanDerWaalsContact C-N 3.28Å; H722-L724 PolarHBondContact O-N 3.19Å; H722-G725 PolarHBondContact O-N 2.98Å; H722-G725 VanDerWaalsContact O-N 3.1Å; H722-R730 HydrophobicContact CB-CG 4.09Å |
| 723 | T | 91.6 | Very high | 95.1 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 177.4 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | L687 R719 L720 G725 | L687-T723 HydrophobicContact CD1-CG2 3.7Å; R719-T723 PolarHBondContact O-N 3.23Å; R719-T723 PolarHBondContact O-OG1 2.62Å; R719-T723 VanDerWaalsContact O-OG1 3.14Å; L720-T723 PolarHBondContact O-N 3.36Å; L720-T723 VanDerWaalsContact O-N 3.13Å; T723-G725 VanDerWaalsContact C-N 3.31Å |
| 724 | L | 93 | Very high | 95 | Very high | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.2 | 175.8 | -68.2 | 174.2 | 0 | 0 | 0 | 114 | A684 L687 E688 I691 L720 Y721 H722 K726 | A684-L724 HydrophobicContact CB-CD2 3.96Å; L687-L724 HydrophobicContact CB-CD1 4.24Å; L687-L724 HydrophobicContact CB-CD2 4.14Å; L687-L724 HydrophobicContact CB-CG 4.31Å; L687-L724 HydrophobicContact CD1-CD2 4.23Å; L687-L724 HydrophobicContact CD1-CG 4.4Å; E688-L724 HydrophobicContact CG-CD1 3.81Å; I691-L724 HydrophobicContact CD1-CD1 3.58Å; L720-L724 PolarHBondContact O-N 3.35Å; Y721-L724 PolarHBondContact O-N 3.38Å; H722-L724 VanDerWaalsContact C-N 3.28Å; H722-L724 PolarHBondContact O-N 3.19Å; L724-K726 HydrophobicContact CB-CD 4.45Å; L724-K726 HydrophobicContact CB-CG 4.27Å; L724-K726 PolarHBondContact O-N 3.33Å |
| 725 | G | 91.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 69.2 Ų | 69.2 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 8.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y721 H722 T723 T727 | Y721-G725 PolarHBondContact O-N 2.91Å; Y721-G725 VanDerWaalsContact O-N 3.15Å; H722-G725 PolarHBondContact O-N 2.98Å; H722-G725 VanDerWaalsContact O-N 3.1Å; T723-G725 VanDerWaalsContact C-N 3.31Å; G725-T727 PolarHBondContact O-N 3.06Å |
| 726 | K | 94.1 | Very high | 94.9 | Very high | 72 Ų | 72 | 67.6 Ų | 67.6 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | trans | -80.8 | 77.9 | 179.2 | -69.1 | -175.7 | -175.7 | 172.3 | 0 | 110.6 | E688 Y721 L724 E729 R730 | E688-K726 IonicContact OE1-NZ 2.72Å; E688-K726 PolarHBondContact OE1-NZ 3.41Å; Y721-K726 HydrophobicContact CD1-CB 3.8Å; Y721-K726 HydrophobicContact CD1-CD 3.88Å; Y721-K726 HydrophobicContact CD1-CG 4.42Å; Y721-K726 HydrophobicContact CE1-CD 4.13Å; Y721-K726 HydrophobicContact CG-CB 4.41Å; Y721-K726 PolarHBondContact O-N 3.43Å; L724-K726 HydrophobicContact CB-CD 4.45Å; L724-K726 HydrophobicContact CB-CG 4.27Å; L724-K726 PolarHBondContact O-N 3.33Å; K726-E729 HydrophobicContact CB-CB 4.48Å; K726-E729 WeakPolarHBondContact CB-OE2 3.45Å; K726-R730 WeakPolarHBondContact O-CB 3.28Å; K726-R730 PolarHBondContact O-N 3.49Å; K726-R730 VanDerWaalsContact O-N 3.11Å | ||
| 727 | T | 94.5 | Very high | 94.8 | Very high | 78 Ų | 78 | 68.8 Ų | 68.8 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.3 | -34.4 | -168.4 | 55 | 0 | 0 | 0 | 0 | 114.6 | G725 N731 | G725-T727 PolarHBondContact O-N 3.06Å; T727-N731 PolarHBondContact O-N 3.36Å; T727-N731 VanDerWaalsContact O-N 3.09Å; T727-N731 PolarHBondContact O-ND2 3.2Å; T727-N731 PolarHBondContact O-OD1 3Å |
| 728 | Q | 96 | Very high | 94.6 | Very high | 155 Ų | 155 | 76.7 Ų | 76.7 | 72% | 0.724 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.5 | -46.7 | -179.1 | -65.6 | -174.7 | 2 | 0 | 0 | 111 | N731 R732 | Q728-N731 PolarHBondContact O-N 3.2Å; Q728-R732 PolarHBondContact O-N 3.3Å |
| 729 | E | 95.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 80.4 Ų | 80.4 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 178.5 | -62.9 | 85.6 | 163.7 | 0 | 0 | 110.9 | Y721 K726 N731 R732 C733 | Y721-E729 HydrophobicContact CD1-CB 3.71Å; Y721-E729 HydrophobicContact CD1-CG 4.34Å; Y721-E729 HydrophobicContact CD2-CB 3.71Å; Y721-E729 HydrophobicContact CE1-CB 3.83Å; Y721-E729 HydrophobicContact CE1-CG 4.12Å; Y721-E729 HydrophobicContact CE2-CB 3.85Å; Y721-E729 HydrophobicContact CG-CB 3.65Å; K726-E729 HydrophobicContact CB-CB 4.48Å; K726-E729 WeakPolarHBondContact CB-OE2 3.45Å; E729-N731 VanDerWaalsContact C-N 3.31Å; E729-N731 PolarHBondContact O-N 2.87Å; E729-R732 PolarHBondContact O-N 3.01Å; E729-C733 PolarHBondContact O-N 2.92Å; E729-C733 PolarHBondContact O-SG 3.31Å |
| 730 | R | 95.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 76 Ų | 76 | 30% | 0.302 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -52.7 | -50.1 | 171.7 | 179.1 | -157 | 71.6 | 178.2 | -1.4 | 111.3 | A718 H722 K726 R732 C733 A734 | A718-R730 WeakPolarHBondContact O-CG 3.4Å; H722-R730 HydrophobicContact CB-CG 4.09Å; K726-R730 WeakPolarHBondContact O-CB 3.28Å; K726-R730 PolarHBondContact O-N 3.49Å; K726-R730 VanDerWaalsContact O-N 3.11Å; R730-R732 VanDerWaalsContact C-N 3.34Å; R730-R732 PolarHBondContact O-N 3.26Å; R730-C733 PolarHBondContact O-N 3.25Å; R730-A734 WeakPolarHBondContact O-CB 3.4Å; R730-A734 PolarHBondContact O-N 3.29Å |
| 731 | N | 96.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 79.5 Ų | 79.5 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | -178.1 | -71.7 | -10 | 0 | 0 | 0 | 111.8 | T727 Q728 E729 A734 M735 | T727-N731 PolarHBondContact O-N 3.36Å; T727-N731 VanDerWaalsContact O-N 3.09Å; T727-N731 PolarHBondContact O-ND2 3.2Å; T727-N731 PolarHBondContact O-OD1 3Å; Q728-N731 PolarHBondContact O-N 3.2Å; E729-N731 VanDerWaalsContact C-N 3.31Å; E729-N731 PolarHBondContact O-N 2.87Å; N731-A734 PolarHBondContact O-N 3.17Å; N731-M735 WeakPolarHBondContact O-CB 3.3Å; N731-M735 PolarHBondContact O-N 3.38Å |
| 732 | R | 96.6 | Very high | 93.2 | Very high | 192 Ų | 192 | 84.4 Ų | 84.4 | 73% | 0.725 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61 | -46.9 | 175 | -174.9 | -179.9 | -179.9 | 179.2 | 0.7 | 111.6 | Q728 E729 R730 M735 L736 | Q728-R732 PolarHBondContact O-N 3.3Å; E729-R732 PolarHBondContact O-N 3.01Å; R730-R732 VanDerWaalsContact C-N 3.34Å; R730-R732 PolarHBondContact O-N 3.26Å; R732-M735 PolarHBondContact O-N 2.96Å; R732-L736 PolarHBondContact O-N 3.3Å; R732-L736 VanDerWaalsContact O-N 3.11Å |
| 733 | C | 94.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 84.4 Ų | 84.4 | 9% | 0.088 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.9 | -71 | 0 | 0 | 0 | 0 | 111.4 | V714 A718 E729 R730 M735 L736 F737 | V714-C733 HydrophobicContact CG1-CB 3.79Å; V714-C733 WeakPolarHBondContact CG1-O 3.48Å; A718-C733 HydrophobicContact CB-CB 3.75Å; E729-C733 PolarHBondContact O-N 2.92Å; E729-C733 PolarHBondContact O-SG 3.31Å; R730-C733 PolarHBondContact O-N 3.25Å; C733-M735 VanDerWaalsContact C-N 3.32Å; C733-M735 PolarHBondContact O-N 3.5Å; C733-L736 PolarHBondContact O-N 2.88Å; C733-F737 WeakPolarHBondContact O-CB 3.37Å; C733-F737 PolarHBondContact O-N 2.9Å |
| 734 | A | 93.9 | Very high | 92 | Very high | 45 Ų | 45 | 81 Ų | 81 | 37% | 0.372 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R730 N731 R738 | R730-A734 WeakPolarHBondContact O-CB 3.4Å; R730-A734 PolarHBondContact O-N 3.29Å; N731-A734 PolarHBondContact O-N 3.17Å; A734-R738 PolarHBondContact O-N 3.27Å |
| 735 | M | 95.5 | Very high | 90.8 | Very high | 109 Ų | 109 | 82.3 Ų | 82.3 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.4 | -176.3 | -173.8 | 74.4 | 0 | 0 | 111.5 | N731 R732 C733 R738 Q739 | N731-M735 WeakPolarHBondContact O-CB 3.3Å; N731-M735 PolarHBondContact O-N 3.38Å; R732-M735 PolarHBondContact O-N 2.96Å; C733-M735 VanDerWaalsContact C-N 3.32Å; C733-M735 PolarHBondContact O-N 3.5Å; M735-R738 PolarHBondContact O-N 3.27Å; M735-Q739 WeakPolarHBondContact O-CG 3.43Å; M735-Q739 PolarHBondContact O-N 2.79Å |
| 736 | L | 93.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 85.6 Ų | 85.6 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 178.7 | 179 | 62.9 | 0 | 0 | 0 | 111.9 | V714 R732 C733 R738 Q739 L740 | V714-L736 HydrophobicContact CG1-CB 4.09Å; V714-L736 HydrophobicContact CG1-CD2 4.16Å; V714-L736 HydrophobicContact CG1-CG 4.23Å; V714-L736 HydrophobicContact CG2-CD2 3.73Å; V714-L736 HydrophobicContact CG2-CG 4.36Å; R732-L736 PolarHBondContact O-N 3.3Å; R732-L736 VanDerWaalsContact O-N 3.11Å; C733-L736 PolarHBondContact O-N 2.88Å; L736-R738 VanDerWaalsContact C-N 3.32Å; L736-R738 PolarHBondContact O-N 3.47Å; L736-Q739 PolarHBondContact O-N 3.07Å; L736-L740 HydrophobicContact CD1-CD1 4.25Å; L736-L740 HydrophobicContact CD1-CG 4.33Å; L736-L740 HydrophobicContact CG-CD1 4.13Å; L736-L740 WeakPolarHBondContact O-CG 3.41Å; L736-L740 PolarHBondContact O-N 3.04Å |
| 737 | F | 93 | Very high | 87.5 | Confident | 35 Ų | 35 | 85.3 Ų | 85.3 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57 | -46.7 | 172.4 | 168.4 | -92.6 | 0 | 0 | 0 | 111.1 | R711 V714 Y715 C733 Q739 L740 H741 L751 | R711-F737 HydrophobicContact CG-CD2 3.5Å; R711-F737 VanDerWaalsContact CG-CD2 3.5Å; R711-F737 HydrophobicContact CG-CE2 3.59Å; V714-F737 HydrophobicContact CG1-CB 4.18Å; Y715-F737 HydrophobicContact CD2-CD2 4.37Å; Y715-F737 HydrophobicContact CD2-CE2 4.12Å; Y715-F737 HydrophobicContact CD2-CZ 4.39Å; Y715-F737 HydrophobicContact CG-CD2 4.48Å; Y715-F737 HydrophobicContact CG-CE2 4.3Å; C733-F737 WeakPolarHBondContact O-CB 3.37Å; C733-F737 PolarHBondContact O-N 2.9Å; F737-Q739 PolarHBondContact O-N 2.94Å; F737-L740 PolarHBondContact O-N 2.96Å; F737-H741 HydrophobicContact CE1-CB 4.41Å; F737-H741 HydrophobicContact CZ-CB 4.44Å; F737-H741 WeakPolarHBondContact O-CB 3.4Å; F737-H741 PolarHBondContact O-N 3.29Å; F737-L751 HydrophobicContact CE2-CD2 3.7Å; F737-L751 HydrophobicContact CZ-CD1 4.34Å; F737-L751 HydrophobicContact CZ-CD2 3.53Å |
| 738 | R | 91.1 | Very high | 85.2 | Confident | 169 Ų | 169 | 84.2 Ų | 84.2 | 64% | 0.638 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 178.9 | -177.1 | 175.8 | -179.8 | 142.4 | -1 | 111.9 | A734 M735 L736 H741 Q742 | A734-R738 PolarHBondContact O-N 3.27Å; M735-R738 PolarHBondContact O-N 3.27Å; L736-R738 VanDerWaalsContact C-N 3.32Å; L736-R738 PolarHBondContact O-N 3.47Å; R738-H741 PolarHBondContact O-N 2.93Å; R738-Q742 VanDerWaalsContact O-CG 3.28Å; R738-Q742 WeakPolarHBondContact O-CG 3.44Å; R738-Q742 PolarHBondContact O-N 2.86Å |
| 739 | Q | 92.4 | Very high | 83 | Confident | 91 Ų | 91 | 80.1 Ų | 80.1 | 43% | 0.425 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.9 | -53 | 176.3 | -72.6 | 172.7 | -19 | 0 | 0 | 111.1 | M735 L736 F737 H741 Q742 E743 | M735-Q739 WeakPolarHBondContact O-CG 3.43Å; M735-Q739 PolarHBondContact O-N 2.79Å; L736-Q739 PolarHBondContact O-N 3.07Å; F737-Q739 PolarHBondContact O-N 2.94Å; Q739-H741 VanDerWaalsContact C-N 3.34Å; Q739-H741 PolarHBondContact O-N 2.73Å; Q739-Q742 PolarHBondContact O-N 3.14Å; Q739-E743 PolarHBondContact O-N 3.25Å; Q739-E743 VanDerWaalsContact O-N 3.17Å |
| 740 | L | 89.4 | Confident | 80.6 | Confident | 18 Ų | 18 | 80 Ų | 80 | 9% | 0.094 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 179.8 | -68.5 | 170.9 | 0 | 0 | 0 | 112.7 | K707 I710 R711 L736 F737 Q742 E743 L744 | K707-L740 HydrophobicContact CB-CD2 4.4Å; K707-L740 HydrophobicContact CG-CD2 4.39Å; I710-L740 HydrophobicContact CB-CD1 4.28Å; I710-L740 HydrophobicContact CG2-CD1 3.65Å; R711-L740 HydrophobicContact CB-CB 4.1Å; R711-L740 HydrophobicContact CB-CD1 4.29Å; R711-L740 HydrophobicContact CG-CB 4.34Å; L736-L740 HydrophobicContact CD1-CD1 4.25Å; L736-L740 HydrophobicContact CD1-CG 4.33Å; L736-L740 HydrophobicContact CG-CD1 4.13Å; L736-L740 WeakPolarHBondContact O-CG 3.41Å; L736-L740 PolarHBondContact O-N 3.04Å; F737-L740 PolarHBondContact O-N 2.96Å; L740-Q742 VanDerWaalsContact C-N 3.3Å; L740-Q742 PolarHBondContact O-N 3.13Å; L740-E743 PolarHBondContact O-N 2.96Å; L740-L744 WeakPolarHBondContact O-CD1 3.38Å; L740-L744 VanDerWaalsContact O-CG 3.31Å; L740-L744 WeakPolarHBondContact O-CG 3.49Å; L740-L744 PolarHBondContact O-N 2.9Å; L740-L744 VanDerWaalsContact O-N 3.09Å |
| 741 | H | 85.8 | Confident | 78.3 | Confident | 81 Ų | 81 | 79.8 Ų | 79.8 | 38% | 0.375 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 178.7 | -171.6 | 71 | 0 | 0 | 0 | 112.5 | F737 R738 Q739 | F737-H741 HydrophobicContact CE1-CB 4.41Å; F737-H741 HydrophobicContact CZ-CB 4.44Å; F737-H741 WeakPolarHBondContact O-CB 3.4Å; F737-H741 PolarHBondContact O-N 3.29Å; R738-H741 PolarHBondContact O-N 2.93Å; Q739-H741 VanDerWaalsContact C-N 3.34Å; Q739-H741 PolarHBondContact O-N 2.73Å |
| 742 | Q | 86.6 | Confident | 75.8 | Confident | 135 Ų | 135 | 78 Ų | 78 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.4 | -31.2 | 174.5 | -73.6 | 175.8 | -22.3 | 0 | 0 | 112.8 | R738 Q739 L740 | R738-Q742 VanDerWaalsContact O-CG 3.28Å; R738-Q742 WeakPolarHBondContact O-CG 3.44Å; R738-Q742 PolarHBondContact O-N 2.86Å; Q739-Q742 PolarHBondContact O-N 3.14Å; L740-Q742 VanDerWaalsContact C-N 3.3Å; L740-Q742 PolarHBondContact O-N 3.13Å |
| 743 | E | 83.6 | Confident | 73.1 | Confident | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -75.8 | -31 | 176.8 | -71.9 | -179.1 | -162.4 | 0 | 0 | 113.3 | K707 Q739 L740 | K707-E743 IonicContact NZ-OE2 3.98Å; K707-E743 PolarHBondContact NZ-OE2 3.41Å; Q739-E743 PolarHBondContact O-N 3.25Å; Q739-E743 VanDerWaalsContact O-N 3.17Å; L740-E743 PolarHBondContact O-N 2.96Å |
| 744 | L | 79 | Confident | 70.6 | Confident | 17 Ų | 17 | 79.7 Ų | 79.7 | 9% | 0.089 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -82.1 | 138 | -176 | -73.9 | 165.6 | 0 | 0 | 0 | 111.3 | K707 E708 R711 L740 | K707-L744 HydrophobicContact CB-CD1 4.37Å; K707-L744 HydrophobicContact CB-CD2 3.99Å; K707-L744 HydrophobicContact CB-CG 4.4Å; E708-L744 HydrophobicContact CB-CD1 4.45Å; E708-L744 HydrophobicContact CG-CD1 3.98Å; E708-L744 HydrophobicContact CG-CD2 3.63Å; E708-L744 HydrophobicContact CG-CG 4.43Å; R711-L744 HydrophobicContact CB-CD1 4.28Å; L740-L744 WeakPolarHBondContact O-CD1 3.38Å; L740-L744 VanDerWaalsContact O-CG 3.31Å; L740-L744 WeakPolarHBondContact O-CG 3.49Å; L740-L744 PolarHBondContact O-N 2.9Å; L740-L744 VanDerWaalsContact O-N 3.09Å |
| 745 | P | 66.9 | Low | 68 | Low | 68 Ų | 68 | 81.6 Ų | 81.6 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | trans | -63.8 | 143.9 | 176 | -13.5 | 27.3 | 0 | 0 | 0 | 110.5 | H747 | P745-H747 WeakPolarHBondContact CB-NE2 3.33Å; P745-H747 VanDerWaalsContact CG-NE2 3.31Å; P745-H747 WeakPolarHBondContact CG-NE2 3.13Å; P745-H747 PolarHBondContact O-N 3.13Å | ||
| 746 | S | 58.7 | Low | 66.6 | Low | 122 Ų | 122 | 80.3 Ų | 80.3 | 85% | 0.853 | 43% | 0.425 | S | S | * | . | trans | -72.7 | 76.6 | 172.2 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | G748 | S746-G748 PolarHBondContact O-N 3.37Š| ||
| 747 | H | 56.9 | Low | 65.2 | Low | 65 Ų | 65 | 82 Ų | 82 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | trans | -74.7 | 22 | -175.9 | -74.8 | -50.3 | 0 | 0 | 0 | 115 | Y525 P745 V749 | Y525-H747 AromaticContact CD2-CD2 4Å; Y525-H747 AromaticContact CD2-NE2 3.74Å; Y525-H747 AromaticContact CE2-CD2 3.47Å; Y525-H747 VanDerWaalsContact CE2-CD2 3.47Å; Y525-H747 WeakPolarHBondContact CE2-CD2 3.46Å; Y525-H747 AromaticContact CE2-NE2 3.67Å; P745-H747 WeakPolarHBondContact CB-NE2 3.33Å; P745-H747 VanDerWaalsContact CG-NE2 3.31Å; P745-H747 WeakPolarHBondContact CG-NE2 3.13Å; P745-H747 PolarHBondContact O-N 3.13Å; H747-V749 HydrophobicContact CB-CG2 4.18Å; H747-V749 PolarHBondContact O-N 2.86Å | ||
| 748 | G | 47.7 | Very low | 63.6 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 58% | 0.577 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 61.9 | 4.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | S746 P750 | S746-G748 PolarHBondContact O-N 3.37Å; G748-P750 WeakPolarHBondContact O-CD 3.33Å |
| 749 | V | 49 | Very low | 62 | Low | 69 Ų | 69 | 79.6 Ų | 79.6 | 42% | 0.418 | 44% | 0.439 | S | S | . | . | trans | -71.4 | 110 | 170.4 | -176.3 | 0 | 0 | 0 | 0 | 105.9 | H747 L751 | H747-V749 HydrophobicContact CB-CG2 4.18Å; H747-V749 PolarHBondContact O-N 2.86Å; V749-L751 PolarHBondContact O-N 3.13Å | ||
| 750 | P | 44.9 | Very low | 60.1 | Low | 73 Ų | 73 | 78.9 Ų | 78.9 | 47% | 0.474 | 44% | 0.44 | S | S | . | . | trans | -56.9 | 138.5 | 175.5 | 21.8 | -28.1 | 0 | 0 | 0 | 108.4 | G748 I752 | G748-P750 WeakPolarHBondContact O-CD 3.33Å; P750-I752 VanDerWaalsContact C-N 3.33Å; P750-I752 PolarHBondContact O-N 3.5Å | ||
| 751 | L | 47.2 | Very low | 58.2 | Low | 75 Ų | 75 | 83 Ų | 83 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -52 | 101.3 | 165.7 | -96.9 | 150.9 | 0 | 0 | 0 | 107.9 | F737 V749 N753 | F737-L751 HydrophobicContact CE2-CD2 3.7Å; F737-L751 HydrophobicContact CZ-CD1 4.34Å; F737-L751 HydrophobicContact CZ-CD2 3.53Å; V749-L751 PolarHBondContact O-N 3.13Å; L751-N753 PolarHBondContact O-N 2.69Å |
| 752 | I | 44.5 | Very low | 56.2 | Low | 44 Ų | 44 | 83.1 Ų | 83.1 | 23% | 0.226 | 47% | 0.47 | C | S | . | . | trans | 35.2 | 83.5 | 166.2 | -54.5 | 167.1 | 0 | 0 | 0 | 113.1 | D712 Y715 F716 P750 | D712-I752 HydrophobicContact CB-CD1 3.87Å; Y715-I752 HydrophobicContact CD1-CD1 3.77Å; Y715-I752 HydrophobicContact CE1-CD1 4.28Å; F716-I752 HydrophobicContact CD2-CD1 4.47Å; F716-I752 HydrophobicContact CE2-CD1 4.35Å; F716-I752 HydrophobicContact CE2-CG2 4.35Å; P750-I752 VanDerWaalsContact C-N 3.33Å; P750-I752 PolarHBondContact O-N 3.5Å | ||
| 753 | N | 41.1 | Very low | 53.8 | Low | 109 Ų | 109 | 79.2 Ų | 79.2 | 58% | 0.583 | 46% | 0.457 | S | S | * | . | trans | -79.9 | 121.4 | 165.1 | -83.9 | -13.7 | 0 | 0 | 0 | 109.6 | L751 | L751-N753 PolarHBondContact O-N 2.69Š| ||
| 754 | H | 41.1 | Very low | 51.4 | Low | 132 Ų | 132 | 76.3 Ų | 76.3 | 61% | 0.611 | 45% | 0.451 | S | S | * | . | trans | 104.7 | 15 | 151.3 | -55.6 | -51.8 | 0 | 0 | 0 | 122.9 | ||||
| 755 | L | 39.5 | Very low | 48.9 | Very low | 85 Ų | 85 | 81.6 Ų | 81.6 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | trans | -138.4 | 0 | 161.2 | -78.4 | 158.9 | 0 | 0 | 0 | 113.8 | F629 L632 I633 | F629-L755 HydrophobicContact CE2-CD1 4.13Å; L632-L755 HydrophobicContact CB-CD1 4.42Å; L632-L755 HydrophobicContact CD1-CD2 4.09Å; L632-L755 HydrophobicContact CD2-CD1 3.41Å; L632-L755 VanDerWaalsContact CD2-CD1 3.41Å; L632-L755 HydrophobicContact CD2-CD2 4.35Å; L632-L755 HydrophobicContact CD2-CG 4.46Å; L632-L755 HydrophobicContact CG-CD1 3.53Å; L632-L755 HydrophobicContact CG-CD2 3.77Å; L632-L755 HydrophobicContact CG-CG 4.28Å; I633-L755 HydrophobicContact CG1-CD1 4.35Å |
Retrieved 755 of 755 residues in 152 ms
(Link to these results)