| 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 | 29.9 | Very low | 50.6 | Low | 241 Ų | 241 | 83.4 Ų | 83.4 | 100% | 1.187 | 46% | 0.455 | S | S | * | . | 0 | 84.6 | 0 | -167.7 | -175.6 | -70.1 | 0 | 0 | 107.3 | A3 | M1-A3 PolarHBondContact O-N 2.69Š| |||
| 2 | M | 35.8 | Very low | 52.4 | Low | 195 Ų | 195 | 77.7 Ų | 77.7 | 96% | 0.961 | 42% | 0.423 | S | S | * | . | trans | -70.9 | 95.8 | -179.2 | -77.5 | -156.1 | -175.5 | 0 | 0 | 109 | K4 | M2-K4 PolarHBondContact O-N 3.14Š| ||
| 3 | A | 38.7 | Very low | 54.3 | Low | 73 Ų | 73 | 80.5 Ų | 80.5 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | trans | -63.5 | 108.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | M1 L5 | M1-A3 PolarHBondContact O-N 2.69Å; A3-L5 PolarHBondContact O-N 3.22Å | ||
| 4 | K | 40.6 | Very low | 55.8 | Low | 206 Ų | 206 | 80 Ų | 80 | 90% | 0.896 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 117.6 | 168.5 | -77.8 | -176.7 | 174.6 | -176 | 0 | 107.3 | M2 | M2-K4 PolarHBondContact O-N 3.14Š|
| 5 | L | 45.9 | Very low | 57.4 | Low | 21 Ų | 21 | 78.1 Ų | 78.1 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -51.1 | 142.1 | 171.8 | -69.2 | 170.4 | 0 | 0 | 0 | 109.4 | A3 V9 E37 M40 V41 | A3-L5 PolarHBondContact O-N 3.22Å; L5-V9 HydrophobicContact CB-CB 4.11Å; L5-V9 HydrophobicContact CB-CG1 4.15Å; L5-V9 HydrophobicContact CD1-CG1 3.8Å; L5-V9 HydrophobicContact CD2-CB 4.42Å; L5-V9 HydrophobicContact CD2-CG1 3.86Å; L5-V9 HydrophobicContact CG-CG1 4.14Å; L5-E37 WeakPolarHBondContact CD1-OE2 3.47Å; L5-E37 HydrophobicContact CD2-CB 4.07Å; L5-E37 WeakPolarHBondContact CD2-OE2 3.42Å; L5-E37 WeakPolarHBondContact CG-OE2 3.14Å; L5-M40 HydrophobicContact CD1-CE 3.52Å; L5-M40 HydrophobicContact CD2-CE 4.22Å; L5-M40 HydrophobicContact CG-CE 4.45Å; L5-V41 HydrophobicContact CD2-CG2 3.89Å |
| 6 | C | 56.4 | Low | 58.9 | Low | 58 Ų | 58 | 73.3 Ų | 73.3 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 144.4 | 173.2 | 68 | 0 | 0 | 0 | 0 | 109.5 | G8 V9 C10 | C6-G8 PolarHBondContact O-N 3.11Å; C6-V9 WeakPolarHBondContact O-CB 3.45Å; C6-V9 PolarHBondContact O-N 2.68Å; C6-V9 WeakPolarHBondContact SG-CG2 3.4Å; C6-C10 PolarHBondContact O-N 3.03Å |
| 7 | C | 57.7 | Low | 60.4 | Low | 56 Ų | 56 | 71.7 Ų | 71.7 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -40.5 | -44.6 | -176.8 | 151.2 | 0 | 0 | 0 | 0 | 113.1 | V9 C10 T11 E277 | C7-V9 PolarHBondContact O-N 3.17Å; C7-C10 WeakPolarHBondContact O-CB 3.19Å; C7-C10 PolarHBondContact O-N 3.29Å; C7-T11 PolarHBondContact O-N 3.48Å; C7-T11 VanDerWaalsContact O-N 3.15Å; C7-T11 PolarHBondContact O-OG1 3Å; C7-T11 VanDerWaalsContact O-OG1 3.06Å; C7-E277 HydrophobicContact CB-CG 4.02Å; C7-E277 WeakPolarHBondContact SG-CG 3.32Å |
| 8 | G | 61.2 | Low | 61.8 | Low | 10 Ų | 10 | 74.4 Ų | 74.4 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C6 H12 Y44 | C6-G8 PolarHBondContact O-N 3.11Å; G8-H12 PolarHBondContact O-ND1 3.26Å; G8-Y44 VanDerWaalsContact CA-CE2 3.45Å; G8-Y44 WeakPolarHBondContact CA-OH 3.44Å; G8-Y44 WeakPolarHBondContact O-CD2 3.47Å; G8-Y44 WeakPolarHBondContact O-CE2 3.49Å |
| 9 | V | 66.4 | Low | 63 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110 | L5 C6 C7 T11 H12 R13 L16 M40 V41 Y44 | L5-V9 HydrophobicContact CB-CB 4.11Å; L5-V9 HydrophobicContact CB-CG1 4.15Å; L5-V9 HydrophobicContact CD1-CG1 3.8Å; L5-V9 HydrophobicContact CD2-CB 4.42Å; L5-V9 HydrophobicContact CD2-CG1 3.86Å; L5-V9 HydrophobicContact CG-CG1 4.14Å; C6-V9 WeakPolarHBondContact O-CB 3.45Å; C6-V9 PolarHBondContact O-N 2.68Å; C6-V9 WeakPolarHBondContact SG-CG2 3.4Å; C7-V9 PolarHBondContact O-N 3.17Å; V9-T11 VanDerWaalsContact C-N 3.3Å; V9-T11 PolarHBondContact O-N 2.9Å; V9-H12 CarbonylContact O-C 3.56Å; V9-H12 PolarHBondContact O-N 2.97Å; V9-R13 WeakPolarHBondContact O-CA 3.43Å; V9-R13 PolarHBondContact O-N 3.03Å; V9-L16 HydrophobicContact CB-CD1 4.26Å; V9-L16 HydrophobicContact CG1-CD1 3.77Å; V9-M40 HydrophobicContact CG1-CB 3.69Å; V9-M40 HydrophobicContact CG1-SD 4.49Å; V9-V41 HydrophobicContact CG2-CB 4.39Å; V9-V41 HydrophobicContact CG2-CG2 4.05Å; V9-Y44 VanDerWaalsContact CG2-CB 3.45Å; V9-Y44 HydrophobicContact CG2-CD1 4.13Å; V9-Y44 HydrophobicContact CG2-CD2 4.39Å; V9-Y44 HydrophobicContact CG2-CG 3.73Å |
| 10 | C | 64.4 | Low | 64.3 | Low | 39 Ų | 39 | 69 Ų | 69 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | C6 C7 H12 R13 T279 | C6-C10 PolarHBondContact O-N 3.03Å; C7-C10 WeakPolarHBondContact O-CB 3.19Å; C7-C10 PolarHBondContact O-N 3.29Å; C10-H12 PolarHBondContact O-N 3.06Å; C10-H12 VanDerWaalsContact O-N 3.13Å; C10-R13 WeakPolarHBondContact O-CB 3.07Å; C10-R13 PolarHBondContact O-N 3.19Å; C10-R13 VanDerWaalsContact O-N 3.14Å; C10-T279 HydrophobicContact CB-CG2 3.41Å; C10-T279 VanDerWaalsContact CB-CG2 3.41Å |
| 11 | T | 59.5 | Low | 65.4 | Low | 18 Ų | 18 | 73 Ų | 73 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.5 | -30 | 176.4 | -47.3 | 0 | 0 | 0 | 0 | 113.3 | C7 V9 V82 I278 | C7-T11 PolarHBondContact O-N 3.48Å; C7-T11 VanDerWaalsContact O-N 3.15Å; C7-T11 PolarHBondContact O-OG1 3Å; C7-T11 VanDerWaalsContact O-OG1 3.06Å; V9-T11 VanDerWaalsContact C-N 3.3Å; V9-T11 PolarHBondContact O-N 2.9Å; T11-V82 HydrophobicContact CG2-CG1 4.37Å; T11-V82 HydrophobicContact CG2-CG2 4.03Å; T11-I278 HydrophobicContact CG2-CD1 4.04Å |
| 12 | H | 72.3 | Confident | 68 | Low | 15 Ų | 15 | 64.9 Ų | 64.9 | 7% | 0.069 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 15.4 | -176.9 | -56.4 | 86.7 | 0 | 0 | 0 | 112.4 | G8 V9 C10 C14 Q15 L16 Y44 Y48 | G8-H12 PolarHBondContact O-ND1 3.26Å; V9-H12 CarbonylContact O-C 3.56Å; V9-H12 PolarHBondContact O-N 2.97Å; C10-H12 PolarHBondContact O-N 3.06Å; C10-H12 VanDerWaalsContact O-N 3.13Å; H12-C14 VanDerWaalsContact C-N 3.35Å; H12-C14 PolarHBondContact O-N 2.99Å; H12-Q15 VanDerWaalsContact C-OE1 3.31Å; H12-Q15 PolarHBondContact O-N 3.37Å; H12-Q15 VanDerWaalsContact O-N 3.09Å; H12-Q15 PolarHBondContact O-OE1 3.49Å; H12-L16 HydrophobicContact CB-CD1 3.78Å; H12-L16 HydrophobicContact CB-CG 3.88Å; H12-L16 WeakPolarHBondContact O-CB 3.31Å; H12-L16 VanDerWaalsContact O-CG 3.25Å; H12-L16 WeakPolarHBondContact O-CG 3.36Å; H12-L16 PolarHBondContact O-N 2.75Å; H12-Y44 AromaticContact CE1-CE2 3.97Å; H12-Y44 AromaticContact ND1-CD2 3.91Å; H12-Y44 AromaticContact ND1-CE2 3.55Å; H12-Y48 HydrophobicContact CB-CE2 3.95Å; H12-Y48 AromaticContact CD2-CE1 3.88Å; H12-Y48 AromaticContact CD2-CE2 3.61Å; H12-Y48 AromaticContact CD2-CZ 3.27Å; H12-Y48 PolarHBondContact CD2-OH 3.5Å; H12-Y48 AromaticContact CG-CE2 3.57Å; H12-Y48 AromaticContact CG-CZ 3.76Å; H12-Y48 AromaticContact ND1-CE2 3.98Å; H12-Y48 AromaticContact NE2-CE1 3.73Å; H12-Y48 AromaticContact NE2-CZ 3.62Å |
| 13 | R | 77.7 | Confident | 70.3 | Confident | 114 Ų | 114 | 55.6 Ų | 55.6 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.8 | -46.6 | -168 | -173.7 | 179 | -176.1 | 159.7 | 10.7 | 112.4 | V9 C10 Q15 L16 E17 M40 | V9-R13 WeakPolarHBondContact O-CA 3.43Å; V9-R13 PolarHBondContact O-N 3.03Å; C10-R13 WeakPolarHBondContact O-CB 3.07Å; C10-R13 PolarHBondContact O-N 3.19Å; C10-R13 VanDerWaalsContact O-N 3.14Å; R13-Q15 VanDerWaalsContact C-N 3.34Å; R13-Q15 PolarHBondContact O-N 3.36Å; R13-L16 PolarHBondContact O-N 3.11Å; R13-E17 HydrophobicContact CG-CG 4.37Å; R13-E17 IonicContact NE-OE1 3.66Å; R13-E17 PolarHBondContact NE-OE1 3.39Å; R13-E17 WeakPolarHBondContact O-CB 3.41Å; R13-E17 WeakPolarHBondContact O-CG 3.23Å; R13-E17 PolarHBondContact O-N 3.25Å; R13-M40 HydrophobicContact CG-SD 4.06Å |
| 14 | C | 75 | Confident | 72.6 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | H12 K18 | H12-C14 VanDerWaalsContact C-N 3.35Å; H12-C14 PolarHBondContact O-N 2.99Å; C14-K18 VanDerWaalsContact O-CG 3.32Å; C14-K18 WeakPolarHBondContact O-CG 3.31Å; C14-K18 PolarHBondContact O-N 2.98Å |
| 15 | Q | 78.8 | Confident | 74.7 | Confident | 51 Ų | 51 | 55 Ų | 55 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71 | -43.1 | 177.9 | -63 | 81.1 | 2.9 | 0 | 0 | 111.7 | H12 R13 K18 M19 Y76 V80 | H12-Q15 VanDerWaalsContact C-OE1 3.31Å; H12-Q15 PolarHBondContact O-N 3.37Å; H12-Q15 VanDerWaalsContact O-N 3.09Å; H12-Q15 PolarHBondContact O-OE1 3.49Å; R13-Q15 VanDerWaalsContact C-N 3.34Å; R13-Q15 PolarHBondContact O-N 3.36Å; Q15-K18 PolarHBondContact O-N 3.38Å; Q15-M19 WeakPolarHBondContact O-CB 3.45Å; Q15-M19 PolarHBondContact O-N 2.99Å; Q15-Y76 WeakPolarHBondContact CB-O 3.43Å; Q15-V80 HydrophobicContact CG-CG2 4.47Å |
| 16 | L | 82.8 | Confident | 76.6 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 179.3 | -68.2 | 173.4 | 0 | 0 | 0 | 111.4 | V9 H12 R13 M19 R20 M40 L43 Y44 Y48 | V9-L16 HydrophobicContact CB-CD1 4.26Å; V9-L16 HydrophobicContact CG1-CD1 3.77Å; H12-L16 HydrophobicContact CB-CD1 3.78Å; H12-L16 HydrophobicContact CB-CG 3.88Å; H12-L16 WeakPolarHBondContact O-CB 3.31Å; H12-L16 VanDerWaalsContact O-CG 3.25Å; H12-L16 WeakPolarHBondContact O-CG 3.36Å; H12-L16 PolarHBondContact O-N 2.75Å; R13-L16 PolarHBondContact O-N 3.11Å; L16-M19 PolarHBondContact O-N 3.1Å; L16-R20 VanDerWaalsContact O-CB 3.22Å; L16-R20 WeakPolarHBondContact O-CB 3.39Å; L16-R20 PolarHBondContact O-N 3.41Å; L16-M40 HydrophobicContact CB-CG 4.28Å; L16-L43 HydrophobicContact CD2-CB 3.69Å; L16-Y44 HydrophobicContact CD1-CD2 4.23Å; L16-Y44 HydrophobicContact CD1-CG 4.49Å; L16-Y48 HydrophobicContact CD2-CE2 4.4Å |
| 17 | E | 83.8 | Confident | 77.8 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 172.9 | -81.4 | -164.1 | -156.9 | 0 | 0 | 112.1 | R13 M19 R20 R21 M40 | R13-E17 HydrophobicContact CG-CG 4.37Å; R13-E17 IonicContact NE-OE1 3.66Å; R13-E17 PolarHBondContact NE-OE1 3.39Å; R13-E17 WeakPolarHBondContact O-CB 3.41Å; R13-E17 WeakPolarHBondContact O-CG 3.23Å; R13-E17 PolarHBondContact O-N 3.25Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.44Å; E17-R20 PolarHBondContact O-N 3.35Å; E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.1Å; E17-R21 PolarHBondContact O-N 3.18Å; E17-R21 IonicContact OE2-CZ 3.81Å; E17-R21 IonicContact OE2-NH2 2.86Å; E17-R21 PolarHBondContact OE2-NH2 2.78Å; E17-M40 HydrophobicContact CG-SD 3.71Å |
| 18 | K | 85 | Confident | 79 | Confident | 121 Ų | 121 | 59.3 Ų | 59.3 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 174.6 | -73.1 | 173.4 | -176.3 | 176.5 | 0 | 111 | C14 Q15 K22 Y76 | C14-K18 VanDerWaalsContact O-CG 3.32Å; C14-K18 WeakPolarHBondContact O-CG 3.31Å; C14-K18 PolarHBondContact O-N 2.98Å; Q15-K18 PolarHBondContact O-N 3.38Å; K18-K22 WeakPolarHBondContact O-CB 3.49Å; K18-K22 PolarHBondContact O-N 3.44Å; K18-K22 VanDerWaalsContact O-N 3.09Å; K18-Y76 HydrophobicContact CB-CD1 3.86Å; K18-Y76 HydrophobicContact CB-CE1 3.8Å |
| 19 | M | 85.9 | Confident | 80 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 177 | -175.5 | 163.9 | 175.3 | 0 | 0 | 111.6 | Q15 L16 E17 K22 A23 L43 F46 C47 F69 L72 K73 Y76 | Q15-M19 WeakPolarHBondContact O-CB 3.45Å; Q15-M19 PolarHBondContact O-N 2.99Å; L16-M19 PolarHBondContact O-N 3.1Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.44Å; M19-K22 PolarHBondContact O-N 3.12Å; M19-A23 WeakPolarHBondContact O-CB 3.19Å; M19-A23 PolarHBondContact O-N 3.3Å; M19-L43 HydrophobicContact CE-CD2 3.77Å; M19-L43 HydrophobicContact CG-CD1 4.35Å; M19-L43 HydrophobicContact CG-CD2 4.06Å; M19-L43 HydrophobicContact SD-CD2 4.22Å; M19-F46 HydrophobicContact CE-CD1 4.17Å; M19-F46 HydrophobicContact CE-CE1 4.36Å; M19-C47 VanDerWaalsContact SD-SG 3.66Å; M19-F69 HydrophobicContact CE-CD1 3.9Å; M19-L72 HydrophobicContact CE-CB 3.65Å; M19-L72 HydrophobicContact CG-CB 4.08Å; M19-L72 HydrophobicContact CG-CD1 4.45Å; M19-L72 HydrophobicContact SD-CB 4.26Å; M19-K73 HydrophobicContact CE-CB 4.44Å; M19-Y76 HydrophobicContact CB-CD2 4.16Å; M19-Y76 HydrophobicContact CB-CG 4.06Å; M19-Y76 HydrophobicContact CG-CD2 4.31Å |
| 20 | R | 88.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 67 Ų | 67 | 14% | 0.143 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -52.8 | 176.8 | -176.3 | -171.9 | 67.8 | 88.3 | -7.2 | 111.6 | L16 E17 K22 A23 Y24 F32 A39 L43 | L16-R20 VanDerWaalsContact O-CB 3.22Å; L16-R20 WeakPolarHBondContact O-CB 3.39Å; L16-R20 PolarHBondContact O-N 3.41Å; E17-R20 PolarHBondContact O-N 3.35Å; R20-K22 PolarHBondContact O-N 3.43Å; R20-A23 WeakPolarHBondContact O-CB 3.43Å; R20-A23 PolarHBondContact O-N 3.47Å; R20-A23 VanDerWaalsContact O-N 3.11Å; R20-Y24 PolarHBondContact O-N 3.31Å; R20-F32 WeakPolarHBondContact CD-O 3.38Å; R20-F32 HydrophobicContact CG-CB 4.16Å; R20-F32 HydrophobicContact CG-CD1 4.26Å; R20-F32 WeakPolarHBondContact CG-O 3.36Å; R20-F32 PolarHBondContact NH1-O 2.96Å; R20-A39 HydrophobicContact CG-CB 4.17Å; R20-L43 HydrophobicContact CB-CD1 3.64Å; R20-L43 HydrophobicContact CG-CD1 4.32Å |
| 21 | R | 87.1 | Confident | 81.7 | Confident | 153 Ų | 153 | 66.8 Ų | 66.8 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.3 | -37.6 | 178 | -68 | 177 | -160.8 | -167.8 | 7.3 | 111.2 | E17 K25 | E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.1Å; E17-R21 PolarHBondContact O-N 3.18Å; E17-R21 IonicContact OE2-CZ 3.81Å; E17-R21 IonicContact OE2-NH2 2.86Å; E17-R21 PolarHBondContact OE2-NH2 2.78Å; R21-K25 WeakPolarHBondContact O-CB 3.07Å; R21-K25 PolarHBondContact O-N 3.01Å; R21-K25 VanDerWaalsContact O-N 3.1Å |
| 22 | K | 85.1 | Confident | 82.7 | Confident | 70 Ų | 70 | 65.9 Ų | 65.9 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.8 | -36.4 | 177 | -162.5 | 68.5 | 176 | -178 | 0 | 113 | K18 M19 R20 K25 K26 L72 Y76 | K18-K22 WeakPolarHBondContact O-CB 3.49Å; K18-K22 PolarHBondContact O-N 3.44Å; K18-K22 VanDerWaalsContact O-N 3.09Å; M19-K22 PolarHBondContact O-N 3.12Å; R20-K22 PolarHBondContact O-N 3.43Å; K22-K25 PolarHBondContact O-N 3.14Å; K22-K26 WeakPolarHBondContact O-CB 3.13Å; K22-K26 PolarHBondContact O-N 2.96Å; K22-L72 HydrophobicContact CB-CD2 4.02Å; K22-L72 HydrophobicContact CG-CD2 3.64Å; K22-Y76 HydrophobicContact CB-CE2 4.17Å; K22-Y76 HydrophobicContact CG-CE2 4.17Å |
| 23 | A | 83.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | M19 R20 K25 K26 T27 F32 F69 L72 | M19-A23 WeakPolarHBondContact O-CB 3.19Å; M19-A23 PolarHBondContact O-N 3.3Å; R20-A23 WeakPolarHBondContact O-CB 3.43Å; R20-A23 PolarHBondContact O-N 3.47Å; R20-A23 VanDerWaalsContact O-N 3.11Å; A23-K25 PolarHBondContact O-N 2.67Å; A23-K26 PolarHBondContact O-N 2.61Å; A23-T27 WeakPolarHBondContact O-CB 3.36Å; A23-T27 WeakPolarHBondContact O-CG2 3.39Å; A23-T27 PolarHBondContact O-N 3.12Å; A23-T27 PolarHBondContact O-OG1 3.21Å; A23-F32 HydrophobicContact CB-CD1 3.96Å; A23-F32 HydrophobicContact CB-CD2 4.12Å; A23-F32 HydrophobicContact CB-CE1 4.09Å; A23-F32 HydrophobicContact CB-CE2 4.25Å; A23-F32 HydrophobicContact CB-CG 4Å; A23-F32 HydrophobicContact CB-CZ 4.26Å; A23-F69 HydrophobicContact CB-CE1 3.55Å; A23-F69 HydrophobicContact CB-CZ 3.66Å; A23-L72 HydrophobicContact CB-CD1 4.05Å |
| 24 | Y | 86.2 | Confident | 83.5 | Confident | 99 Ų | 99 | 67.5 Ų | 67.5 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.7 | -54.8 | 173.2 | 179.3 | -123.2 | 0 | 0 | 0 | 111.2 | R20 K26 T27 G28 N29 A33 | R20-Y24 PolarHBondContact O-N 3.31Å; Y24-K26 PolarHBondContact O-N 3.03Å; Y24-K26 VanDerWaalsContact O-N 3.09Å; Y24-T27 PolarHBondContact O-N 3.28Å; Y24-G28 PolarHBondContact O-N 3.29Å; Y24-N29 WeakPolarHBondContact CD2-O 3.45Å; Y24-A33 HydrophobicContact CD1-CB 4.44Å; Y24-A33 HydrophobicContact CD2-CB 4Å; Y24-A33 HydrophobicContact CE1-CB 4.31Å; Y24-A33 HydrophobicContact CE2-CB 3.88Å; Y24-A33 HydrophobicContact CG-CB 4.29Å |
| 25 | K | 85.8 | Confident | 83.9 | Confident | 169 Ų | 169 | 67.2 Ų | 67.2 | 74% | 0.735 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.1 | -29 | -179.3 | -173.6 | 170.4 | -176.1 | 169.1 | 0 | 114.2 | R21 K22 A23 | R21-K25 WeakPolarHBondContact O-CB 3.07Å; R21-K25 PolarHBondContact O-N 3.01Å; R21-K25 VanDerWaalsContact O-N 3.1Å; K22-K25 PolarHBondContact O-N 3.14Å; A23-K25 PolarHBondContact O-N 2.67Å |
| 26 | K | 84.2 | Confident | 84 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -96.9 | -23.1 | -176.3 | -79.3 | -163.6 | 161.8 | -154.7 | 0 | 114.7 | K22 A23 Y24 L68 | K22-K26 WeakPolarHBondContact O-CB 3.13Å; K22-K26 PolarHBondContact O-N 2.96Å; A23-K26 PolarHBondContact O-N 2.61Å; Y24-K26 PolarHBondContact O-N 3.03Å; Y24-K26 VanDerWaalsContact O-N 3.09Å; K26-L68 HydrophobicContact CB-CD1 4.19Å; K26-L68 HydrophobicContact CB-CD2 3.73Å; K26-L68 HydrophobicContact CD-CD1 3.35Å; K26-L68 HydrophobicContact CD-CD2 4.46Å; K26-L68 HydrophobicContact CG-CD1 4.41Å |
| 27 | T | 82.7 | Confident | 83.7 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 27% | 0.27 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -106.1 | -21.8 | -177.6 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | A23 Y24 N29 L68 F69 | A23-T27 WeakPolarHBondContact O-CB 3.36Å; A23-T27 WeakPolarHBondContact O-CG2 3.39Å; A23-T27 PolarHBondContact O-N 3.12Å; A23-T27 PolarHBondContact O-OG1 3.21Å; Y24-T27 PolarHBondContact O-N 3.28Å; T27-N29 PolarHBondContact O-N 3.45Å; T27-N29 WeakPolarHBondContact OG1-CB 3.32Å; T27-N29 PolarHBondContact OG1-N 2.89Å; T27-L68 HydrophobicContact CG2-CD2 3.44Å; T27-L68 VanDerWaalsContact CG2-CD2 3.44Å; T27-F69 HydrophobicContact CG2-CE2 4.35Å |
| 28 | G | 82.8 | Confident | 83.5 | Confident | 56 Ų | 56 | 70 Ų | 70 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | trans | 65.9 | 8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y24 E30 | Y24-G28 PolarHBondContact O-N 3.29Å; G28-E30 PolarHBondContact O-N 3.31Å | ||
| 29 | N | 82.5 | Confident | 83.4 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | trans | -79.9 | 107.2 | -175.8 | -175.9 | -15.2 | 0 | 0 | 0 | 110.5 | Y24 T27 F31 F32 | Y24-N29 WeakPolarHBondContact CD2-O 3.45Å; T27-N29 PolarHBondContact O-N 3.45Å; T27-N29 WeakPolarHBondContact OG1-CB 3.32Å; T27-N29 PolarHBondContact OG1-N 2.89Å; N29-F31 PolarHBondContact O-N 2.84Å; N29-F31 VanDerWaalsContact O-N 3.1Å; N29-F31 WeakPolarHBondContact OD1-CB 3.47Å; N29-F31 PolarHBondContact OD1-N 2.64Å; N29-F31 VanDerWaalsContact OD1-N 3.09Å; N29-F32 HydrophobicContact CB-CD2 4.01Å; N29-F32 HydrophobicContact CB-CE2 4.22Å; N29-F32 PolarHBondContact O-N 2.89Å; N29-F32 VanDerWaalsContact O-N 3.08Å | ||
| 30 | E | 83.1 | Confident | 83.3 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.8 | -178.2 | -64.5 | -176.4 | 159.5 | 0 | 0 | 113.7 | G28 F32 A33 D34 | G28-E30 PolarHBondContact O-N 3.31Å; E30-F32 PolarHBondContact O-N 2.94Å; E30-F32 VanDerWaalsContact O-N 3.08Å; E30-A33 CarbonylContact O-C 3.57Å; E30-A33 WeakPolarHBondContact O-CA 3.35Å; E30-A33 WeakPolarHBondContact O-CB 3.45Å; E30-A33 PolarHBondContact O-N 3.34Å; E30-D34 PolarHBondContact O-N 2.88Å |
| 31 | F | 82.2 | Confident | 82.7 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -50.1 | -39.4 | 172 | 170.1 | -104 | 0 | 0 | 0 | 112.8 | N29 A33 D35 L38 A39 L42 | N29-F31 PolarHBondContact O-N 2.84Å; N29-F31 VanDerWaalsContact O-N 3.1Å; N29-F31 WeakPolarHBondContact OD1-CB 3.47Å; N29-F31 PolarHBondContact OD1-N 2.64Å; N29-F31 VanDerWaalsContact OD1-N 3.09Å; F31-A33 PolarHBondContact O-N 2.85Å; F31-D35 HydrophobicContact CE2-CB 4.33Å; F31-D35 PolarHBondContact O-N 3.48Å; F31-L38 HydrophobicContact CE2-CB 4.35Å; F31-L38 HydrophobicContact CE2-CD2 3.95Å; F31-L38 HydrophobicContact CE2-CG 4.08Å; F31-L38 HydrophobicContact CZ-CB 4.35Å; F31-L38 HydrophobicContact CZ-CD2 4.37Å; F31-L38 HydrophobicContact CZ-CG 4.03Å; F31-A39 HydrophobicContact CD1-CB 4.45Å; F31-A39 HydrophobicContact CE1-CB 3.82Å; F31-A39 HydrophobicContact CZ-CB 4.08Å; F31-L42 HydrophobicContact CE1-CD1 3.75Å; F31-L42 HydrophobicContact CZ-CD1 3.48Å; F31-L42 VanDerWaalsContact CZ-CD1 3.48Å; F31-L42 HydrophobicContact CZ-CG 4.48Å |
| 32 | F | 82.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.6 | -14.8 | 179 | -68.5 | -72 | 0 | 0 | 0 | 113.1 | R20 A23 N29 E30 A39 L43 I62 F69 | R20-F32 WeakPolarHBondContact CD-O 3.38Å; R20-F32 HydrophobicContact CG-CB 4.16Å; R20-F32 HydrophobicContact CG-CD1 4.26Å; R20-F32 WeakPolarHBondContact CG-O 3.36Å; R20-F32 PolarHBondContact NH1-O 2.96Å; A23-F32 HydrophobicContact CB-CD1 3.96Å; A23-F32 HydrophobicContact CB-CD2 4.12Å; A23-F32 HydrophobicContact CB-CE1 4.09Å; A23-F32 HydrophobicContact CB-CE2 4.25Å; A23-F32 HydrophobicContact CB-CG 4Å; A23-F32 HydrophobicContact CB-CZ 4.26Å; N29-F32 HydrophobicContact CB-CD2 4.01Å; N29-F32 HydrophobicContact CB-CE2 4.22Å; N29-F32 PolarHBondContact O-N 2.89Å; N29-F32 VanDerWaalsContact O-N 3.08Å; E30-F32 PolarHBondContact O-N 2.94Å; E30-F32 VanDerWaalsContact O-N 3.08Å; F32-A39 HydrophobicContact CD1-CB 3.99Å; F32-L43 HydrophobicContact CE1-CD2 4.23Å; F32-L43 HydrophobicContact CE1-CG 4.4Å; F32-I62 HydrophobicContact CZ-CG1 4.35Å; F32-F69 HydrophobicContact CE1-CE1 4.04Å; F32-F69 AromaticContact CE1-CZ 3.94Å; F32-F69 HydrophobicContact CE1-CZ 3.94Å; F32-F69 HydrophobicContact CE2-CE2 4.43Å; F32-F69 AromaticContact CE2-CZ 3.65Å; F32-F69 HydrophobicContact CE2-CZ 3.65Å; F32-F69 AromaticContact CZ-CE1 3.77Å; F32-F69 HydrophobicContact CZ-CE1 3.77Å; F32-F69 HydrophobicContact CZ-CE2 4.15Å; F32-F69 AromaticContact CZ-CZ 3.21Å; F32-F69 HydrophobicContact CZ-CZ 3.21Å |
| 33 | A | 83.5 | Confident | 82.1 | Confident | 37 Ų | 37 | 54 Ų | 54 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -98.9 | -48.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y24 E30 F31 | Y24-A33 HydrophobicContact CD1-CB 4.44Å; Y24-A33 HydrophobicContact CD2-CB 4Å; Y24-A33 HydrophobicContact CE1-CB 4.31Å; Y24-A33 HydrophobicContact CE2-CB 3.88Å; Y24-A33 HydrophobicContact CG-CB 4.29Å; E30-A33 CarbonylContact O-C 3.57Å; E30-A33 WeakPolarHBondContact O-CA 3.35Å; E30-A33 WeakPolarHBondContact O-CB 3.45Å; E30-A33 PolarHBondContact O-N 3.34Å; F31-A33 PolarHBondContact O-N 2.85Å |
| 34 | D | 83 | Confident | 81.8 | Confident | 126 Ų | 126 | 56.3 Ų | 56.3 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -73.5 | -38.2 | -169.4 | -62.5 | -16.8 | 0 | 0 | 0 | 113.4 | E30 | E30-D34 PolarHBondContact O-N 2.88Å |
| 35 | D | 82 | Confident | 81.2 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | trans | -120.4 | 74 | 177.5 | -164.7 | -20.9 | 0 | 0 | 0 | 110.4 | F31 E37 L38 A39 | F31-D35 HydrophobicContact CE2-CB 4.33Å; F31-D35 PolarHBondContact O-N 3.48Å; D35-E37 PolarHBondContact O-N 2.97Å; D35-L38 HydrophobicContact CB-CB 4.22Å; D35-L38 PolarHBondContact O-N 2.97Å; D35-L38 WeakPolarHBondContact OD1-CB 3.39Å; D35-L38 PolarHBondContact OD1-N 3.18Å; D35-L38 VanDerWaalsContact OD2-CB 3.24Å; D35-L38 WeakPolarHBondContact OD2-CB 3.43Å; D35-L38 WeakPolarHBondContact OD2-CD2 3.3Å; D35-A39 WeakPolarHBondContact O-CB 3.41Å; D35-A39 PolarHBondContact O-N 2.84Å | ||
| 36 | S | 80.8 | Confident | 80.8 | Confident | 39 Ų | 39 | 46.2 Ų | 46.2 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -37.1 | -176.4 | 62.5 | 0 | 0 | 0 | 0 | 113 | M40 | S36-M40 WeakPolarHBondContact O-CB 3.45Å; S36-M40 VanDerWaalsContact O-CG 3.26Å; S36-M40 WeakPolarHBondContact O-CG 3.38Å; S36-M40 PolarHBondContact O-N 2.84Å |
| 37 | E | 78 | Confident | 80.4 | Confident | 60 Ų | 60 | 40.8 Ų | 40.8 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.6 | -50.2 | -176.3 | -60.2 | -57.8 | 114.6 | 0 | 0 | 110.6 | L5 D35 A39 M40 V41 | L5-E37 WeakPolarHBondContact CD1-OE2 3.47Å; L5-E37 HydrophobicContact CD2-CB 4.07Å; L5-E37 WeakPolarHBondContact CD2-OE2 3.42Å; L5-E37 WeakPolarHBondContact CG-OE2 3.14Å; D35-E37 PolarHBondContact O-N 2.97Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.82Å; E37-M40 PolarHBondContact O-N 2.82Å; E37-M40 VanDerWaalsContact OE1-CE 3.22Å; E37-M40 WeakPolarHBondContact OE1-CE 3.29Å; E37-V41 WeakPolarHBondContact O-CG2 3.29Å; E37-V41 PolarHBondContact O-N 2.88Å |
| 38 | L | 79.4 | Confident | 80 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.4 | -41 | 176.2 | -173.6 | 56 | 0 | 0 | 0 | 111 | F31 D35 M40 V41 L42 L58 | F31-L38 HydrophobicContact CE2-CB 4.35Å; F31-L38 HydrophobicContact CE2-CD2 3.95Å; F31-L38 HydrophobicContact CE2-CG 4.08Å; F31-L38 HydrophobicContact CZ-CB 4.35Å; F31-L38 HydrophobicContact CZ-CD2 4.37Å; F31-L38 HydrophobicContact CZ-CG 4.03Å; D35-L38 HydrophobicContact CB-CB 4.22Å; D35-L38 PolarHBondContact O-N 2.97Å; D35-L38 WeakPolarHBondContact OD1-CB 3.39Å; D35-L38 PolarHBondContact OD1-N 3.18Å; D35-L38 VanDerWaalsContact OD2-CB 3.24Å; D35-L38 WeakPolarHBondContact OD2-CB 3.43Å; D35-L38 WeakPolarHBondContact OD2-CD2 3.3Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 3.35Å; L38-V41 PolarHBondContact O-N 2.9Å; L38-L42 WeakPolarHBondContact O-CG 2.99Å; L38-L42 PolarHBondContact O-N 2.74Å; L38-L58 HydrophobicContact CD2-CD2 4.12Å; L38-L58 HydrophobicContact CG-CD2 4.5Å |
| 39 | A | 82.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R20 F31 F32 D35 E37 L42 L43 | R20-A39 HydrophobicContact CG-CB 4.17Å; F31-A39 HydrophobicContact CD1-CB 4.45Å; F31-A39 HydrophobicContact CE1-CB 3.82Å; F31-A39 HydrophobicContact CZ-CB 4.08Å; F32-A39 HydrophobicContact CD1-CB 3.99Å; D35-A39 WeakPolarHBondContact O-CB 3.41Å; D35-A39 PolarHBondContact O-N 2.84Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.82Å; A39-L42 PolarHBondContact O-N 3.43Å; A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.32Å; A39-L43 PolarHBondContact O-N 3.44Å |
| 40 | M | 83.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.6 | -76.4 | -165.2 | -63.9 | 0 | 0 | 112.6 | L5 V9 R13 L16 E17 S36 E37 L38 L42 L43 Y44 | L5-M40 HydrophobicContact CD1-CE 3.52Å; L5-M40 HydrophobicContact CD2-CE 4.22Å; L5-M40 HydrophobicContact CG-CE 4.45Å; V9-M40 HydrophobicContact CG1-CB 3.69Å; V9-M40 HydrophobicContact CG1-SD 4.49Å; R13-M40 HydrophobicContact CG-SD 4.06Å; L16-M40 HydrophobicContact CB-CG 4.28Å; E17-M40 HydrophobicContact CG-SD 3.71Å; S36-M40 WeakPolarHBondContact O-CB 3.45Å; S36-M40 VanDerWaalsContact O-CG 3.26Å; S36-M40 WeakPolarHBondContact O-CG 3.38Å; S36-M40 PolarHBondContact O-N 2.84Å; E37-M40 PolarHBondContact O-N 2.82Å; E37-M40 VanDerWaalsContact OE1-CE 3.22Å; E37-M40 WeakPolarHBondContact OE1-CE 3.29Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 3.35Å; M40-L42 VanDerWaalsContact C-N 3.31Å; M40-L42 PolarHBondContact O-N 3.09Å; M40-L43 PolarHBondContact O-N 3.39Å; M40-Y44 WeakPolarHBondContact O-CB 3.36Å; M40-Y44 PolarHBondContact O-N 3.35Å |
| 41 | V | 76.8 | Confident | 76.7 | Confident | 42 Ų | 42 | 44 Ų | 44 | 26% | 0.255 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | L5 V9 E37 L38 Y44 E45 | L5-V41 HydrophobicContact CD2-CG2 3.89Å; V9-V41 HydrophobicContact CG2-CB 4.39Å; V9-V41 HydrophobicContact CG2-CG2 4.05Å; E37-V41 WeakPolarHBondContact O-CG2 3.29Å; E37-V41 PolarHBondContact O-N 2.88Å; L38-V41 PolarHBondContact O-N 2.9Å; V41-Y44 PolarHBondContact O-N 3.33Å; V41-E45 PolarHBondContact O-N 2.82Å |
| 42 | L | 77.4 | Confident | 75.3 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.7 | -40.3 | 179.5 | -63.8 | -177.6 | 0 | 0 | 0 | 113.3 | F31 L38 A39 M40 Y44 E45 F46 L58 I62 | F31-L42 HydrophobicContact CE1-CD1 3.75Å; F31-L42 HydrophobicContact CZ-CD1 3.48Å; F31-L42 VanDerWaalsContact CZ-CD1 3.48Å; F31-L42 HydrophobicContact CZ-CG 4.48Å; L38-L42 WeakPolarHBondContact O-CG 2.99Å; L38-L42 PolarHBondContact O-N 2.74Å; A39-L42 PolarHBondContact O-N 3.43Å; M40-L42 VanDerWaalsContact C-N 3.31Å; M40-L42 PolarHBondContact O-N 3.09Å; L42-Y44 VanDerWaalsContact C-N 3.27Å; L42-Y44 PolarHBondContact O-N 3.3Å; L42-E45 PolarHBondContact O-N 2.8Å; L42-F46 VanDerWaalsContact O-CB 3.28Å; L42-F46 WeakPolarHBondContact O-CB 3.37Å; L42-F46 PolarHBondContact O-N 2.85Å; L42-L58 HydrophobicContact CD1-CB 3.71Å; L42-L58 HydrophobicContact CD1-CD2 3.93Å; L42-L58 HydrophobicContact CD1-CG 4.38Å; L42-L58 HydrophobicContact CD2-CB 3.37Å; L42-L58 HydrophobicContact CD2-CD1 4.01Å; L42-L58 HydrophobicContact CD2-CD2 4.41Å; L42-L58 HydrophobicContact CD2-CG 4.12Å; L42-L58 HydrophobicContact CG-CB 4.15Å; L42-I62 HydrophobicContact CB-CD1 3.82Å |
| 43 | L | 81.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 173.9 | -70.1 | 171 | 0 | 0 | 0 | 110.7 | L16 M19 R20 F32 A39 M40 F46 C47 I62 F69 | L16-L43 HydrophobicContact CD2-CB 3.69Å; M19-L43 HydrophobicContact CE-CD2 3.77Å; M19-L43 HydrophobicContact CG-CD1 4.35Å; M19-L43 HydrophobicContact CG-CD2 4.06Å; M19-L43 HydrophobicContact SD-CD2 4.22Å; R20-L43 HydrophobicContact CB-CD1 3.64Å; R20-L43 HydrophobicContact CG-CD1 4.32Å; F32-L43 HydrophobicContact CE1-CD2 4.23Å; F32-L43 HydrophobicContact CE1-CG 4.4Å; A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.32Å; A39-L43 PolarHBondContact O-N 3.44Å; M40-L43 PolarHBondContact O-N 3.39Å; L43-F46 PolarHBondContact O-N 2.83Å; L43-C47 VanDerWaalsContact O-CB 3.27Å; L43-C47 WeakPolarHBondContact O-CB 3.32Å; L43-C47 PolarHBondContact O-N 3.08Å; L43-C47 PolarHBondContact O-SG 2.79Å; L43-I62 HydrophobicContact CD2-CD1 4.29Å; L43-F69 HydrophobicContact CD2-CD1 3.92Å; L43-F69 HydrophobicContact CD2-CE1 3.67Å |
| 44 | Y | 77.9 | Confident | 71.8 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -50.9 | 172.8 | 177.6 | -94.9 | 0 | 0 | 0 | 111.6 | G8 V9 H12 L16 M40 V41 L42 F46 C47 Y48 G49 | G8-Y44 VanDerWaalsContact CA-CE2 3.45Å; G8-Y44 WeakPolarHBondContact CA-OH 3.44Å; G8-Y44 WeakPolarHBondContact O-CD2 3.47Å; G8-Y44 WeakPolarHBondContact O-CE2 3.49Å; V9-Y44 VanDerWaalsContact CG2-CB 3.45Å; V9-Y44 HydrophobicContact CG2-CD1 4.13Å; V9-Y44 HydrophobicContact CG2-CD2 4.39Å; V9-Y44 HydrophobicContact CG2-CG 3.73Å; H12-Y44 AromaticContact CE1-CE2 3.97Å; H12-Y44 AromaticContact ND1-CD2 3.91Å; H12-Y44 AromaticContact ND1-CE2 3.55Å; L16-Y44 HydrophobicContact CD1-CD2 4.23Å; L16-Y44 HydrophobicContact CD1-CG 4.49Å; M40-Y44 WeakPolarHBondContact O-CB 3.36Å; M40-Y44 PolarHBondContact O-N 3.35Å; V41-Y44 PolarHBondContact O-N 3.33Å; L42-Y44 VanDerWaalsContact C-N 3.27Å; L42-Y44 PolarHBondContact O-N 3.3Å; Y44-F46 PolarHBondContact O-N 2.91Å; Y44-C47 PolarHBondContact O-N 3.33Å; Y44-Y48 AromaticContact CD2-CD2 3.33Å; Y44-Y48 HydrophobicContact CD2-CD2 3.33Å; Y44-Y48 HydrophobicContact CD2-CE2 4.04Å; Y44-Y48 HydrophobicContact CD2-CG 4.15Å; Y44-Y48 AromaticContact CE2-CD2 3.52Å; Y44-Y48 HydrophobicContact CE2-CD2 3.52Å; Y44-Y48 HydrophobicContact CE2-CE2 4.38Å; Y44-Y48 AromaticContact CE2-CG 3.89Å; Y44-Y48 HydrophobicContact CE2-CG 3.89Å; Y44-Y48 HydrophobicContact CG-CD2 4.12Å; Y44-Y48 WeakPolarHBondContact O-CA 3.49Å; Y44-Y48 PolarHBondContact O-N 3.03Å; Y44-G49 PolarHBondContact O-N 3.18Å |
| 45 | E | 74.7 | Confident | 70.3 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -28.9 | 177.4 | -81.1 | -77.2 | 171.3 | 0 | 0 | 112.6 | V41 L42 G49 R53 | V41-E45 PolarHBondContact O-N 2.82Å; L42-E45 PolarHBondContact O-N 2.8Å; E45-G49 WeakPolarHBondContact O-CA 3.42Å; E45-G49 PolarHBondContact O-N 2.97Å; E45-G49 VanDerWaalsContact OE2-CA 3.31Å; E45-G49 WeakPolarHBondContact OE2-CA 3.47Å; E45-R53 WeakPolarHBondContact OE1-CD 3.26Å; E45-R53 IonicContact OE1-CZ 3.79Å; E45-R53 IonicContact OE1-NH1 2.58Å; E45-R53 PolarHBondContact OE1-NH1 3.5Å |
| 46 | F | 77 | Confident | 68.7 | Low | 35 Ų | 35 | 59.1 Ų | 59.1 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.3 | -40.9 | 173.5 | 177.6 | -100.1 | 0 | 0 | 0 | 112.8 | M19 L42 L43 Y44 I62 F69 K73 | M19-F46 HydrophobicContact CE-CD1 4.17Å; M19-F46 HydrophobicContact CE-CE1 4.36Å; L42-F46 VanDerWaalsContact O-CB 3.28Å; L42-F46 WeakPolarHBondContact O-CB 3.37Å; L42-F46 PolarHBondContact O-N 2.85Å; L43-F46 PolarHBondContact O-N 2.83Å; Y44-F46 PolarHBondContact O-N 2.91Å; F46-I62 HydrophobicContact CB-CD1 3.92Å; F46-I62 HydrophobicContact CB-CG2 4.39Å; F46-I62 HydrophobicContact CD1-CG2 4.22Å; F46-I62 HydrophobicContact CD2-CG2 3.53Å; F46-I62 HydrophobicContact CE1-CG2 4.4Å; F46-I62 HydrophobicContact CE2-CG2 3.73Å; F46-I62 HydrophobicContact CG-CD1 4.4Å; F46-I62 HydrophobicContact CG-CG2 3.78Å; F46-I62 HydrophobicContact CZ-CG2 4.17Å; F46-F69 HydrophobicContact CD1-CB 4.41Å; F46-F69 HydrophobicContact CE1-CB 3.65Å; F46-F69 WeakPolarHBondContact CE1-O 3.42Å; F46-F69 HydrophobicContact CE2-CB 4.43Å; F46-F69 HydrophobicContact CZ-CB 3.65Å; F46-K73 HydrophobicContact CD1-CD 4.42Å; F46-K73 HydrophobicContact CE1-CB 3.94Å; F46-K73 HydrophobicContact CE1-CD 4.05Å; F46-K73 PolarHBondContact O-NZ 3.41Å |
| 47 | C | 76.5 | Confident | 67 | Low | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -76.7 | -44.7 | -179.1 | -71.9 | 0 | 0 | 0 | 0 | 112 | M19 L43 Y44 K73 A77 | M19-C47 VanDerWaalsContact SD-SG 3.66Å; L43-C47 VanDerWaalsContact O-CB 3.27Å; L43-C47 WeakPolarHBondContact O-CB 3.32Å; L43-C47 PolarHBondContact O-N 3.08Å; L43-C47 PolarHBondContact O-SG 2.79Å; Y44-C47 PolarHBondContact O-N 3.33Å; C47-K73 WeakPolarHBondContact O-CE 3.34Å; C47-K73 PolarHBondContact O-NZ 3.01Å; C47-A77 HydrophobicContact CB-CB 4.01Å |
| 48 | Y | 73.4 | Confident | 65.8 | Low | 72 Ų | 72 | 64.4 Ų | 64.4 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -11.2 | -165.4 | -47.9 | -73.6 | 0 | 0 | 0 | 114.1 | H12 L16 Y44 A77 | H12-Y48 HydrophobicContact CB-CE2 3.95Å; H12-Y48 AromaticContact CD2-CE1 3.88Å; H12-Y48 AromaticContact CD2-CE2 3.61Å; H12-Y48 AromaticContact CD2-CZ 3.27Å; H12-Y48 PolarHBondContact CD2-OH 3.5Å; H12-Y48 AromaticContact CG-CE2 3.57Å; H12-Y48 AromaticContact CG-CZ 3.76Å; H12-Y48 AromaticContact ND1-CE2 3.98Å; H12-Y48 AromaticContact NE2-CE1 3.73Å; H12-Y48 AromaticContact NE2-CZ 3.62Å; L16-Y48 HydrophobicContact CD2-CE2 4.4Å; Y44-Y48 AromaticContact CD2-CD2 3.33Å; Y44-Y48 HydrophobicContact CD2-CD2 3.33Å; Y44-Y48 HydrophobicContact CD2-CE2 4.04Å; Y44-Y48 HydrophobicContact CD2-CG 4.15Å; Y44-Y48 AromaticContact CE2-CD2 3.52Å; Y44-Y48 HydrophobicContact CE2-CD2 3.52Å; Y44-Y48 HydrophobicContact CE2-CE2 4.38Å; Y44-Y48 AromaticContact CE2-CG 3.89Å; Y44-Y48 HydrophobicContact CE2-CG 3.89Å; Y44-Y48 HydrophobicContact CG-CD2 4.12Å; Y44-Y48 WeakPolarHBondContact O-CA 3.49Å; Y44-Y48 PolarHBondContact O-N 3.03Å; Y48-A77 HydrophobicContact CE1-CB 4.22Å; Y48-A77 WeakPolarHBondContact OH-CA 3.44Å |
| 49 | G | 66.1 | Low | 64.6 | Low | 23 Ų | 23 | 63.1 Ų | 63.1 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -70.3 | 158.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y44 E45 | Y44-G49 PolarHBondContact O-N 3.18Å; E45-G49 WeakPolarHBondContact O-CA 3.42Å; E45-G49 PolarHBondContact O-N 2.97Å; E45-G49 VanDerWaalsContact OE2-CA 3.31Å; E45-G49 WeakPolarHBondContact OE2-CA 3.47Å |
| 50 | K | 59.8 | Low | 63.2 | Low | 138 Ų | 138 | 66.3 Ų | 66.3 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | trans | -74.5 | 144.5 | 174.2 | -68.6 | -174.2 | -179.9 | -180 | 0 | 109.9 | N52 R59 | K50-N52 PolarHBondContact O-N 3.44Å; K50-N52 VanDerWaalsContact O-N 3.12Å; K50-R59 PolarHBondContact O-NH2 3.49Å | ||
| 51 | P | 53.5 | Low | 62.1 | Low | 106 Ų | 106 | 68.4 Ų | 68.4 | 69% | 0.688 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.6 | -177.1 | 17.4 | -28.2 | 0 | 0 | 0 | 114.5 | R59 | P51-R59 PolarHBondContact O-NH1 3.14Š|
| 52 | N | 52.3 | Low | 61.3 | Low | 164 Ų | 164 | 66.4 Ų | 66.4 | 88% | 0.877 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 15.3 | -171.5 | -87.9 | 8.7 | 0 | 0 | 0 | 117.4 | K50 | K50-N52 PolarHBondContact O-N 3.44Å; K50-N52 VanDerWaalsContact O-N 3.12Å |
| 53 | R | 47.2 | Very low | 60.3 | Low | 137 Ų | 137 | 70 Ų | 70 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | trans | -80.5 | 142.5 | 174.9 | -80.6 | -172.4 | 176.5 | -178.5 | -3.7 | 112.6 | E45 S55 | E45-R53 WeakPolarHBondContact OE1-CD 3.26Å; E45-R53 IonicContact OE1-CZ 3.79Å; E45-R53 IonicContact OE1-NH1 2.58Å; E45-R53 PolarHBondContact OE1-NH1 3.5Å; R53-S55 PolarHBondContact O-N 3.09Å | ||
| 54 | S | 45.4 | Very low | 59.6 | Low | 128 Ų | 128 | 77.6 Ų | 77.6 | 90% | 0.895 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -60.2 | 6.5 | -177.5 | 38.4 | 0 | 0 | 0 | 0 | 116.3 | H56 | S54-H56 PolarHBondContact O-N 2.88Š|
| 55 | S | 51.7 | Low | 59.3 | Low | 23 Ų | 23 | 77.4 Ų | 77.4 | 16% | 0.161 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 25.5 | 175 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | R53 L57 L58 R59 | R53-S55 PolarHBondContact O-N 3.09Å; S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 2.96Å; S55-L58 PolarHBondContact O-N 2.95Å; S55-R59 PolarHBondContact O-N 3.35Å |
| 56 | H | 46.8 | Very low | 58.9 | Low | 128 Ų | 128 | 77.8 Ų | 77.8 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.9 | -44.7 | -171.7 | -147.9 | 87.8 | 0 | 0 | 0 | 111.8 | S54 L58 R59 I60 | S54-H56 PolarHBondContact O-N 2.88Å; H56-L58 VanDerWaalsContact C-N 3.33Å; H56-L58 PolarHBondContact O-N 3.31Å; H56-R59 WeakPolarHBondContact O-CB 3.47Å; H56-R59 PolarHBondContact O-N 2.9Å; H56-I60 WeakPolarHBondContact O-CG1 3.34Å; H56-I60 PolarHBondContact O-N 2.91Å |
| 57 | L | 47 | Very low | 58.8 | Low | 145 Ų | 145 | 82.9 Ų | 82.9 | 76% | 0.759 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.1 | -38 | 176.5 | -73.6 | 168.1 | 0 | 0 | 0 | 112.6 | S55 I60 | S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 2.96Å; L57-I60 HydrophobicContact CD2-CD1 3.86Å; L57-I60 VanDerWaalsContact O-CB 3.25Å; L57-I60 WeakPolarHBondContact O-CB 3.45Å; L57-I60 PolarHBondContact O-N 3.13Å |
| 58 | L | 51.3 | Low | 58.9 | Low | 65 Ų | 65 | 83.8 Ų | 83.8 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -74.8 | -33 | 178.1 | -71.5 | 156.9 | 0 | 0 | 0 | 112 | L38 L42 S55 H56 I60 N61 | L38-L58 HydrophobicContact CD2-CD2 4.12Å; L38-L58 HydrophobicContact CG-CD2 4.5Å; L42-L58 HydrophobicContact CD1-CB 3.71Å; L42-L58 HydrophobicContact CD1-CD2 3.93Å; L42-L58 HydrophobicContact CD1-CG 4.38Å; L42-L58 HydrophobicContact CD2-CB 3.37Å; L42-L58 HydrophobicContact CD2-CD1 4.01Å; L42-L58 HydrophobicContact CD2-CD2 4.41Å; L42-L58 HydrophobicContact CD2-CG 4.12Å; L42-L58 HydrophobicContact CG-CB 4.15Å; S55-L58 PolarHBondContact O-N 2.95Å; H56-L58 VanDerWaalsContact C-N 3.33Å; H56-L58 PolarHBondContact O-N 3.31Å; L58-I60 PolarHBondContact O-N 3.1Å; L58-N61 PolarHBondContact O-N 2.73Å |
| 59 | R | 55.1 | Low | 59.2 | Low | 32 Ų | 32 | 80.3 Ų | 80.3 | 12% | 0.121 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.6 | -26.1 | 169.4 | -80.2 | 179.4 | 169.5 | 154.2 | -1.3 | 112.1 | K50 P51 S55 H56 N61 I62 L63 | K50-R59 PolarHBondContact O-NH2 3.49Å; P51-R59 PolarHBondContact O-NH1 3.14Å; S55-R59 PolarHBondContact O-N 3.35Å; H56-R59 WeakPolarHBondContact O-CB 3.47Å; H56-R59 PolarHBondContact O-N 2.9Å; R59-N61 PolarHBondContact O-N 2.8Å; R59-I62 CarbonylContact O-C 3.55Å; R59-I62 WeakPolarHBondContact O-CA 3.23Å; R59-I62 PolarHBondContact O-N 3.21Å; R59-L63 HydrophobicContact CB-CD1 3.92Å; R59-L63 HydrophobicContact CB-CG 4.3Å; R59-L63 WeakPolarHBondContact O-CB 3.33Å; R59-L63 VanDerWaalsContact O-CG 3.28Å; R59-L63 WeakPolarHBondContact O-CG 3.29Å; R59-L63 PolarHBondContact O-N 3.02Å |
| 60 | I | 52.6 | Low | 59.7 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 34% | 0.338 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.3 | -39.6 | 179.2 | -64.8 | 175 | 0 | 0 | 0 | 111.3 | H56 L57 L58 I62 L63 K64 | H56-I60 WeakPolarHBondContact O-CG1 3.34Å; H56-I60 PolarHBondContact O-N 2.91Å; L57-I60 HydrophobicContact CD2-CD1 3.86Å; L57-I60 VanDerWaalsContact O-CB 3.25Å; L57-I60 WeakPolarHBondContact O-CB 3.45Å; L57-I60 PolarHBondContact O-N 3.13Å; L58-I60 PolarHBondContact O-N 3.1Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 3.41Å; I60-L63 PolarHBondContact O-N 3.27Å; I60-K64 HydrophobicContact CG2-CD 4.31Å; I60-K64 HydrophobicContact CG2-CG 4.18Å; I60-K64 WeakPolarHBondContact O-CB 3.45Å; I60-K64 VanDerWaalsContact O-CG 3.31Å; I60-K64 WeakPolarHBondContact O-CG 3.49Å; I60-K64 PolarHBondContact O-N 2.75Å |
| 61 | N | 59.3 | Low | 60.6 | Low | 45 Ų | 45 | 86.3 Ų | 86.3 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 178.5 | -78.5 | -19.1 | 0 | 0 | 0 | 112.9 | L58 R59 | L58-N61 PolarHBondContact O-N 2.73Å; R59-N61 PolarHBondContact O-N 2.8Å |
| 62 | I | 60.2 | Low | 61.9 | Low | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -78.4 | -39.7 | 174.6 | -63.8 | -179.8 | 0 | 0 | 0 | 110.5 | F32 L42 L43 F46 R59 I60 S65 A66 F69 | F32-I62 HydrophobicContact CZ-CG1 4.35Å; L42-I62 HydrophobicContact CB-CD1 3.82Å; L43-I62 HydrophobicContact CD2-CD1 4.29Å; F46-I62 HydrophobicContact CB-CD1 3.92Å; F46-I62 HydrophobicContact CB-CG2 4.39Å; F46-I62 HydrophobicContact CD1-CG2 4.22Å; F46-I62 HydrophobicContact CD2-CG2 3.53Å; F46-I62 HydrophobicContact CE1-CG2 4.4Å; F46-I62 HydrophobicContact CE2-CG2 3.73Å; F46-I62 HydrophobicContact CG-CD1 4.4Å; F46-I62 HydrophobicContact CG-CG2 3.78Å; F46-I62 HydrophobicContact CZ-CG2 4.17Å; R59-I62 CarbonylContact O-C 3.55Å; R59-I62 WeakPolarHBondContact O-CA 3.23Å; R59-I62 PolarHBondContact O-N 3.21Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 3.41Å; I62-S65 CarbonylContact O-C 3.27Å; I62-S65 VanDerWaalsContact O-C 3.27Å; I62-S65 PolarHBondContact O-N 3.04Å; I62-A66 PolarHBondContact O-N 2.91Å; I62-F69 HydrophobicContact CB-CD2 4.31Å; I62-F69 HydrophobicContact CB-CE2 4.49Å; I62-F69 HydrophobicContact CB-CG 4.41Å; I62-F69 HydrophobicContact CG1-CE1 4.49Å; I62-F69 HydrophobicContact CG2-CB 3.67Å; I62-F69 HydrophobicContact CG2-CD1 3.82Å; I62-F69 HydrophobicContact CG2-CD2 3.74Å; I62-F69 HydrophobicContact CG2-CE1 4.43Å; I62-F69 HydrophobicContact CG2-CE2 4.35Å; I62-F69 HydrophobicContact CG2-CG 3.46Å; I62-F69 VanDerWaalsContact CG2-CG 3.46Å; I62-F69 WeakPolarHBondContact O-CD2 3.23Å |
| 63 | L | 57 | Low | 63 | Low | 82 Ų | 82 | 77.5 Ų | 77.5 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -75.1 | -27.5 | -175.3 | -69.5 | 173.4 | 0 | 0 | 0 | 113.2 | R59 I60 S65 A66 | R59-L63 HydrophobicContact CB-CD1 3.92Å; R59-L63 HydrophobicContact CB-CG 4.3Å; R59-L63 WeakPolarHBondContact O-CB 3.33Å; R59-L63 VanDerWaalsContact O-CG 3.28Å; R59-L63 WeakPolarHBondContact O-CG 3.29Å; R59-L63 PolarHBondContact O-N 3.02Å; I60-L63 PolarHBondContact O-N 3.27Å; L63-S65 PolarHBondContact O-N 3.43Å; L63-A66 HydrophobicContact CD2-CB 4.18Å; L63-A66 VanDerWaalsContact O-CB 3.29Å; L63-A66 WeakPolarHBondContact O-CB 3.42Å; L63-A66 PolarHBondContact O-N 3.4Å |
| 64 | K | 66.9 | Low | 64.5 | Low | 161 Ų | 161 | 75.2 Ų | 75.2 | 70% | 0.7 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -25.1 | 169.4 | -81 | 177.7 | 178.8 | -179.8 | 0 | 112.3 | I60 | I60-K64 HydrophobicContact CG2-CD 4.31Å; I60-K64 HydrophobicContact CG2-CG 4.18Å; I60-K64 WeakPolarHBondContact O-CB 3.45Å; I60-K64 VanDerWaalsContact O-CG 3.31Å; I60-K64 WeakPolarHBondContact O-CG 3.49Å; I60-K64 PolarHBondContact O-N 2.75Å |
| 65 | S | 70.6 | Confident | 66 | Low | 43 Ų | 43 | 76 Ų | 76 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | 42.7 | 171.3 | -50.3 | 0 | 0 | 0 | 0 | 111.2 | I62 L63 E67 L68 F69 | I62-S65 CarbonylContact O-C 3.27Å; I62-S65 VanDerWaalsContact O-C 3.27Å; I62-S65 PolarHBondContact O-N 3.04Å; L63-S65 PolarHBondContact O-N 3.43Å; S65-E67 PolarHBondContact O-N 3.21Å; S65-L68 WeakPolarHBondContact O-CA 3.49Å; S65-L68 WeakPolarHBondContact O-CB 3.21Å; S65-L68 PolarHBondContact O-N 2.89Å; S65-F69 WeakPolarHBondContact O-CD2 3.48Å; S65-F69 PolarHBondContact O-N 3.42Å |
| 66 | A | 67.9 | Low | 67 | Low | 30 Ų | 30 | 76.9 Ų | 76.9 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -49.9 | -40.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I62 L63 F69 K70 | I62-A66 PolarHBondContact O-N 2.91Å; L63-A66 HydrophobicContact CD2-CB 4.18Å; L63-A66 VanDerWaalsContact O-CB 3.29Å; L63-A66 WeakPolarHBondContact O-CB 3.42Å; L63-A66 PolarHBondContact O-N 3.4Å; A66-F69 PolarHBondContact O-N 3.36Å; A66-K70 WeakPolarHBondContact O-CG 3.45Å; A66-K70 PolarHBondContact O-N 3.22Å |
| 67 | E | 73.7 | Confident | 68 | Low | 141 Ų | 141 | 71.9 Ų | 71.9 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | -179 | -153.3 | -179.9 | -170.5 | 0 | 0 | 112.7 | S65 K70 K71 | S65-E67 PolarHBondContact O-N 3.21Å; E67-K70 PolarHBondContact O-N 3.45Å; E67-K71 WeakPolarHBondContact O-CG 3.32Å; E67-K71 PolarHBondContact O-N 3.01Å; E67-K71 VanDerWaalsContact O-N 3.14Å |
| 68 | L | 79.6 | Confident | 68.6 | Low | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 171.2 | 168.1 | 63.2 | 0 | 0 | 0 | 110.5 | K26 T27 S65 K70 K71 L72 | K26-L68 HydrophobicContact CB-CD1 4.19Å; K26-L68 HydrophobicContact CB-CD2 3.73Å; K26-L68 HydrophobicContact CD-CD1 3.35Å; K26-L68 HydrophobicContact CD-CD2 4.46Å; K26-L68 HydrophobicContact CG-CD1 4.41Å; T27-L68 HydrophobicContact CG2-CD2 3.44Å; T27-L68 VanDerWaalsContact CG2-CD2 3.44Å; S65-L68 WeakPolarHBondContact O-CA 3.49Å; S65-L68 WeakPolarHBondContact O-CB 3.21Å; S65-L68 PolarHBondContact O-N 2.89Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 3.23Å; L68-K71 WeakPolarHBondContact O-CB 3.41Å; L68-K71 PolarHBondContact O-N 2.91Å; L68-K71 VanDerWaalsContact O-N 3.15Å; L68-L72 HydrophobicContact CD1-CD1 4.16Å; L68-L72 HydrophobicContact CD1-CD2 4.49Å; L68-L72 HydrophobicContact CD1-CG 4.04Å; L68-L72 HydrophobicContact CG-CD1 4.05Å; L68-L72 HydrophobicContact CG-CG 4.33Å; L68-L72 WeakPolarHBondContact O-CG 3.21Å; L68-L72 PolarHBondContact O-N 2.87Å |
| 69 | F | 78.4 | Confident | 68.7 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.1 | -31.8 | -178.2 | -76.8 | -82.3 | 0 | 0 | 0 | 112.8 | M19 A23 T27 F32 L43 F46 I62 S65 A66 K71 L72 K73 | M19-F69 HydrophobicContact CE-CD1 3.9Å; A23-F69 HydrophobicContact CB-CE1 3.55Å; A23-F69 HydrophobicContact CB-CZ 3.66Å; T27-F69 HydrophobicContact CG2-CE2 4.35Å; F32-F69 HydrophobicContact CE1-CE1 4.04Å; F32-F69 AromaticContact CE1-CZ 3.94Å; F32-F69 HydrophobicContact CE1-CZ 3.94Å; F32-F69 HydrophobicContact CE2-CE2 4.43Å; F32-F69 AromaticContact CE2-CZ 3.65Å; F32-F69 HydrophobicContact CE2-CZ 3.65Å; F32-F69 AromaticContact CZ-CE1 3.77Å; F32-F69 HydrophobicContact CZ-CE1 3.77Å; F32-F69 HydrophobicContact CZ-CE2 4.15Å; F32-F69 AromaticContact CZ-CZ 3.21Å; F32-F69 HydrophobicContact CZ-CZ 3.21Å; L43-F69 HydrophobicContact CD2-CD1 3.92Å; L43-F69 HydrophobicContact CD2-CE1 3.67Å; F46-F69 HydrophobicContact CD1-CB 4.41Å; F46-F69 HydrophobicContact CE1-CB 3.65Å; F46-F69 WeakPolarHBondContact CE1-O 3.42Å; F46-F69 HydrophobicContact CE2-CB 4.43Å; F46-F69 HydrophobicContact CZ-CB 3.65Å; I62-F69 HydrophobicContact CB-CD2 4.31Å; I62-F69 HydrophobicContact CB-CE2 4.49Å; I62-F69 HydrophobicContact CB-CG 4.41Å; I62-F69 HydrophobicContact CG1-CE1 4.49Å; I62-F69 HydrophobicContact CG2-CB 3.67Å; I62-F69 HydrophobicContact CG2-CD1 3.82Å; I62-F69 HydrophobicContact CG2-CD2 3.74Å; I62-F69 HydrophobicContact CG2-CE1 4.43Å; I62-F69 HydrophobicContact CG2-CE2 4.35Å; I62-F69 HydrophobicContact CG2-CG 3.46Å; I62-F69 VanDerWaalsContact CG2-CG 3.46Å; I62-F69 WeakPolarHBondContact O-CD2 3.23Å; S65-F69 WeakPolarHBondContact O-CD2 3.48Å; S65-F69 PolarHBondContact O-N 3.42Å; A66-F69 PolarHBondContact O-N 3.36Å; F69-K71 VanDerWaalsContact C-N 3.35Å; F69-L72 HydrophobicContact CD1-CD1 3.96Å; F69-L72 HydrophobicContact CE1-CD1 4.05Å; F69-L72 PolarHBondContact O-N 3.1Å; F69-K73 VanDerWaalsContact O-CB 3.29Å; F69-K73 WeakPolarHBondContact O-CB 3.49Å; F69-K73 PolarHBondContact O-N 3.02Å |
| 70 | K | 77.8 | Confident | 68.4 | Low | 147 Ų | 147 | 75 Ų | 75 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58 | -45.8 | 167.9 | -76.9 | 177.3 | -177.8 | 179.6 | 0 | 111.4 | A66 E67 L68 K73 A74 | A66-K70 WeakPolarHBondContact O-CG 3.45Å; A66-K70 PolarHBondContact O-N 3.22Å; E67-K70 PolarHBondContact O-N 3.45Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 3.23Å; K70-K73 PolarHBondContact O-N 3.29Å; K70-A74 PolarHBondContact O-N 3.4Å |
| 71 | K | 78.9 | Confident | 67.8 | Low | 139 Ų | 139 | 80.3 Ų | 80.3 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 175.8 | -69.4 | 174.6 | -176.9 | 173 | 0 | 112.3 | E67 L68 F69 K75 | E67-K71 WeakPolarHBondContact O-CG 3.32Å; E67-K71 PolarHBondContact O-N 3.01Å; E67-K71 VanDerWaalsContact O-N 3.14Å; L68-K71 WeakPolarHBondContact O-CB 3.41Å; L68-K71 PolarHBondContact O-N 2.91Å; L68-K71 VanDerWaalsContact O-N 3.15Å; F69-K71 VanDerWaalsContact C-N 3.35Å; K71-K75 WeakPolarHBondContact O-CB 3.49Å; K71-K75 PolarHBondContact O-N 2.79Å; K71-K75 VanDerWaalsContact O-N 3.16Å |
| 72 | L | 79.7 | Confident | 67.1 | Low | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.6 | -68.5 | 177 | 0 | 0 | 0 | 111.4 | M19 K22 A23 L68 F69 K75 Y76 | M19-L72 HydrophobicContact CE-CB 3.65Å; M19-L72 HydrophobicContact CG-CB 4.08Å; M19-L72 HydrophobicContact CG-CD1 4.45Å; M19-L72 HydrophobicContact SD-CB 4.26Å; K22-L72 HydrophobicContact CB-CD2 4.02Å; K22-L72 HydrophobicContact CG-CD2 3.64Å; A23-L72 HydrophobicContact CB-CD1 4.05Å; L68-L72 HydrophobicContact CD1-CD1 4.16Å; L68-L72 HydrophobicContact CD1-CD2 4.49Å; L68-L72 HydrophobicContact CD1-CG 4.04Å; L68-L72 HydrophobicContact CG-CD1 4.05Å; L68-L72 HydrophobicContact CG-CG 4.33Å; L68-L72 WeakPolarHBondContact O-CG 3.21Å; L68-L72 PolarHBondContact O-N 2.87Å; F69-L72 HydrophobicContact CD1-CD1 3.96Å; F69-L72 HydrophobicContact CE1-CD1 4.05Å; F69-L72 PolarHBondContact O-N 3.1Å; L72-K75 PolarHBondContact O-N 2.94Å; L72-K75 VanDerWaalsContact O-N 3.17Å; L72-Y76 HydrophobicContact CB-CD2 4.21Å; L72-Y76 HydrophobicContact CD2-CD2 3.92Å; L72-Y76 HydrophobicContact CD2-CE2 3.54Å; L72-Y76 WeakPolarHBondContact O-CB 3.4Å; L72-Y76 VanDerWaalsContact O-CD2 3.28Å; L72-Y76 WeakPolarHBondContact O-CD2 3.41Å; L72-Y76 PolarHBondContact O-N 3.46Å |
| 73 | K | 76.6 | Confident | 66.3 | Low | 79 Ų | 79 | 84.6 Ų | 84.6 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59 | -51.1 | 175.4 | 177.9 | 175 | -177.5 | 163 | 0 | 110.7 | M19 F46 C47 F69 K70 K75 Y76 A77 | M19-K73 HydrophobicContact CE-CB 4.44Å; F46-K73 HydrophobicContact CD1-CD 4.42Å; F46-K73 HydrophobicContact CE1-CB 3.94Å; F46-K73 HydrophobicContact CE1-CD 4.05Å; F46-K73 PolarHBondContact O-NZ 3.41Å; C47-K73 WeakPolarHBondContact O-CE 3.34Å; C47-K73 PolarHBondContact O-NZ 3.01Å; F69-K73 VanDerWaalsContact O-CB 3.29Å; F69-K73 WeakPolarHBondContact O-CB 3.49Å; F69-K73 PolarHBondContact O-N 3.02Å; K70-K73 PolarHBondContact O-N 3.29Å; K73-K75 PolarHBondContact O-N 2.87Å; K73-K75 VanDerWaalsContact O-N 3.15Å; K73-Y76 PolarHBondContact O-N 2.87Å; K73-A77 HydrophobicContact CG-CB 3.88Å; K73-A77 WeakPolarHBondContact O-CA 3.27Å; K73-A77 WeakPolarHBondContact O-CB 3.46Å; K73-A77 PolarHBondContact O-N 2.95Å |
| 74 | A | 78 | Confident | 66 | Low | 88 Ų | 88 | 90.5 Ų | 90.5 | 73% | 0.727 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -56.6 | -32.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K70 | K70-A74 PolarHBondContact O-N 3.4Å |
| 75 | K | 77.7 | Confident | 65.4 | Low | 146 Ų | 146 | 85.6 Ų | 85.6 | 64% | 0.635 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -85.3 | -41.6 | -178.7 | -175.7 | 170 | -175.5 | 166.4 | 0 | 114.5 | K71 L72 K73 | K71-K75 WeakPolarHBondContact O-CB 3.49Å; K71-K75 PolarHBondContact O-N 2.79Å; K71-K75 VanDerWaalsContact O-N 3.16Å; L72-K75 PolarHBondContact O-N 2.94Å; L72-K75 VanDerWaalsContact O-N 3.17Å; K73-K75 PolarHBondContact O-N 2.87Å; K73-K75 VanDerWaalsContact O-N 3.15Å |
| 76 | Y | 72.7 | Confident | 64.9 | Low | 40 Ų | 40 | 85.2 Ų | 85.2 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -108.2 | -29.2 | -168.3 | -65.9 | -74.3 | 0 | 0 | 0 | 113.1 | Q15 K18 M19 K22 L72 K73 C78 | Q15-Y76 WeakPolarHBondContact CB-O 3.43Å; K18-Y76 HydrophobicContact CB-CD1 3.86Å; K18-Y76 HydrophobicContact CB-CE1 3.8Å; M19-Y76 HydrophobicContact CB-CD2 4.16Å; M19-Y76 HydrophobicContact CB-CG 4.06Å; M19-Y76 HydrophobicContact CG-CD2 4.31Å; K22-Y76 HydrophobicContact CB-CE2 4.17Å; K22-Y76 HydrophobicContact CG-CE2 4.17Å; L72-Y76 HydrophobicContact CB-CD2 4.21Å; L72-Y76 HydrophobicContact CD2-CD2 3.92Å; L72-Y76 HydrophobicContact CD2-CE2 3.54Å; L72-Y76 WeakPolarHBondContact O-CB 3.4Å; L72-Y76 VanDerWaalsContact O-CD2 3.28Å; L72-Y76 WeakPolarHBondContact O-CD2 3.41Å; L72-Y76 PolarHBondContact O-N 3.46Å; K73-Y76 PolarHBondContact O-N 2.87Å; Y76-C78 PolarHBondContact O-N 2.91Å |
| 77 | A | 66.3 | Low | 65.2 | Low | 23 Ų | 23 | 87.9 Ų | 87.9 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -78.9 | 52.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | C47 Y48 K73 | C47-A77 HydrophobicContact CB-CB 4.01Å; Y48-A77 HydrophobicContact CE1-CB 4.22Å; Y48-A77 WeakPolarHBondContact OH-CA 3.44Å; K73-A77 HydrophobicContact CG-CB 3.88Å; K73-A77 WeakPolarHBondContact O-CA 3.27Å; K73-A77 WeakPolarHBondContact O-CB 3.46Å; K73-A77 PolarHBondContact O-N 2.95Å |
| 78 | C | 60 | Low | 65.8 | Low | 85 Ų | 85 | 81.7 Ų | 81.7 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | trans | -61.5 | 151.2 | 167.4 | -162.6 | 0 | 0 | 0 | 0 | 108 | Y76 V80 | Y76-C78 PolarHBondContact O-N 2.91Å; C78-V80 PolarHBondContact O-N 3.27Å | ||
| 79 | H | 53.9 | Low | 66.3 | Low | 180 Ų | 180 | 80.5 Ų | 80.5 | 83% | 0.833 | 42% | 0.416 | S | S | * | . | trans | -61.8 | 86.5 | 170.5 | -66.8 | -74.2 | 0 | 0 | 0 | 108.6 | Q81 | H79-Q81 VanDerWaalsContact C-N 3.33Å; H79-Q81 PolarHBondContact O-N 2.95Å | ||
| 80 | V | 47.8 | Very low | 66.9 | Low | 42 Ų | 42 | 84 Ų | 84 | 26% | 0.255 | 43% | 0.431 | S | S | . | . | trans | -54.4 | 114.3 | 151.7 | -178.5 | 0 | 0 | 0 | 0 | 103 | Q15 C78 V82 | Q15-V80 HydrophobicContact CG-CG2 4.47Å; C78-V80 PolarHBondContact O-N 3.27Å; V80-V82 HydrophobicContact CB-CG2 4.33Å; V80-V82 HydrophobicContact CG1-CG2 4.16Å; V80-V82 PolarHBondContact O-N 3.3Å | ||
| 81 | Q | 41.1 | Very low | 67.7 | Low | 179 Ų | 179 | 77.2 Ų | 77.2 | 84% | 0.836 | 40% | 0.402 | S | S | * | . | trans | -64.6 | 79.9 | 162.5 | -69.5 | -174.5 | 9.9 | 0 | 0 | 104.6 | H79 P83 | H79-Q81 VanDerWaalsContact C-N 3.33Å; H79-Q81 PolarHBondContact O-N 2.95Å; Q81-P83 VanDerWaalsContact O-CD 3.31Å; Q81-P83 WeakPolarHBondContact O-CD 3.29Å | ||
| 82 | V | 45 | Very low | 68.5 | Low | 49 Ų | 49 | 70.6 Ų | 70.6 | 30% | 0.297 | 37% | 0.373 | S | S | . | . | trans | -54.3 | 119.9 | 165.1 | -176.2 | 0 | 0 | 0 | 0 | 102.3 | T11 V80 K84 | T11-V82 HydrophobicContact CG2-CG1 4.37Å; T11-V82 HydrophobicContact CG2-CG2 4.03Å; V80-V82 HydrophobicContact CB-CG2 4.33Å; V80-V82 HydrophobicContact CG1-CG2 4.16Å; V80-V82 PolarHBondContact O-N 3.3Å; V82-K84 PolarHBondContact O-N 2.82Å | ||
| 83 | P | 43.5 | Very low | 69.3 | Low | 86 Ų | 86 | 70.3 Ų | 70.3 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | trans | -46.1 | 118.7 | 173.1 | -23.7 | 31.4 | 0 | 0 | 0 | 105.3 | Q81 L85 | Q81-P83 VanDerWaalsContact O-CD 3.31Å; Q81-P83 WeakPolarHBondContact O-CD 3.29Å; P83-L85 VanDerWaalsContact C-N 3.27Å; P83-L85 PolarHBondContact O-N 3.47Å | ||
| 84 | K | 50.2 | Low | 70.3 | Confident | 205 Ų | 205 | 66.6 Ų | 66.6 | 89% | 0.891 | 36% | 0.355 | S | S | * | . | trans | -56.4 | 103.4 | -176.3 | -80.6 | -176.3 | 179.8 | 175.6 | 0 | 105.5 | V82 | V82-K84 PolarHBondContact O-N 2.82Š| ||
| 85 | L | 53.8 | Low | 71.2 | Confident | 58 Ų | 58 | 62.4 Ų | 62.4 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | trans | -49.1 | 132.9 | 175.3 | -94.5 | 153.8 | 0 | 0 | 0 | 105.9 | P83 T87 V272 G276 | P83-L85 VanDerWaalsContact C-N 3.27Å; P83-L85 PolarHBondContact O-N 3.47Å; L85-T87 PolarHBondContact O-N 3.49Å; L85-V272 HydrophobicContact CD2-CG1 3.9Å; L85-V272 WeakPolarHBondContact CD2-O 3.4Å; L85-G276 VanDerWaalsContact CD2-N 3.34Å | ||
| 86 | P | 60.2 | Low | 72.1 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | trans | -51.9 | 122.9 | 175 | 18.9 | -28.6 | 0 | 0 | 0 | 107.7 | V88 P367 | P86-V88 HydrophobicContact CB-CG2 4.33Å; P86-V88 PolarHBondContact O-N 3.14Å; P86-P367 HydrophobicContact CB-CB 3.57Å; P86-P367 HydrophobicContact CG-CB 3.37Å; P86-P367 HydrophobicContact CG-CG 4.15Å | ||
| 87 | T | 74.1 | Confident | 73.3 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | trans | -74.4 | 82.2 | -176.9 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | L85 | L85-T87 PolarHBondContact O-N 3.49Š| ||
| 88 | V | 86.2 | Confident | 74.7 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 133 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 109 | P86 Y91 H151 V272 P367 L371 | P86-V88 HydrophobicContact CB-CG2 4.33Å; P86-V88 PolarHBondContact O-N 3.14Å; V88-Y91 HydrophobicContact CG1-CE2 4.42Å; V88-H151 WeakPolarHBondContact O-CB 3.33Å; V88-H151 PolarHBondContact O-CD2 2.59Å; V88-V272 HydrophobicContact CB-CG2 4.37Å; V88-V272 HydrophobicContact CG2-CG2 3.85Å; V88-P367 HydrophobicContact CG2-CB 3.62Å; V88-P367 HydrophobicContact CG2-CG 4.49Å; V88-L371 WeakPolarHBondContact CG1-O 3.44Å |
| 89 | P | 90.8 | Very high | 76.5 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 157.8 | 170.6 | -24.4 | 34.2 | 0 | 0 | 0 | 111.9 | Y91 L129 F149 L371 | P89-Y91 HydrophobicContact CB-CE1 4.47Å; P89-Y91 HydrophobicContact CB-CE2 4.19Å; P89-L129 HydrophobicContact CB-CD2 4.47Å; P89-L129 HydrophobicContact CG-CB 3.91Å; P89-L129 HydrophobicContact CG-CD1 4.41Å; P89-L129 HydrophobicContact CG-CD2 4.15Å; P89-L129 HydrophobicContact CG-CG 4.38Å; P89-F149 CarbonylContact C-O 3.58Å; P89-F149 VanDerWaalsContact CA-O 3.27Å; P89-F149 WeakPolarHBondContact CA-O 3.38Å; P89-F149 VanDerWaalsContact CB-O 3.32Å; P89-F149 WeakPolarHBondContact CB-O 3.4Å; P89-L371 HydrophobicContact CG-CB 4.34Å |
| 90 | K | 90.4 | Very high | 78.5 | Confident | 73 Ų | 73 | 50 Ų | 50 | 32% | 0.317 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.8 | 167.3 | -68.6 | -165.1 | 178.8 | -175.7 | 0 | 109.5 | F149 S153 L155 | K90-F149 HydrophobicContact CB-CB 4.41Å; K90-F149 PolarHBondContact N-O 3.14Å; K90-F149 WeakPolarHBondContact O-CB 3.27Å; K90-F149 PolarHBondContact O-N 2.8Å; K90-S153 WeakPolarHBondContact CD-O 3.21Å; K90-S153 WeakPolarHBondContact CE-O 3.46Å; K90-S153 PolarHBondContact NZ-O 2.74Å; K90-L155 HydrophobicContact CB-CD1 3.59Å; K90-L155 HydrophobicContact CB-CG 4.5Å; K90-L155 HydrophobicContact CD-CD1 3.97Å; K90-L155 HydrophobicContact CD-CG 4.23Å; K90-L155 HydrophobicContact CG-CD1 4.45Å |
| 91 | Y | 94.4 | Very high | 80.8 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 142.4 | -179.3 | -61.7 | -82.3 | 0 | 0 | 0 | 111.3 | V88 P89 L146 L147 A148 Q169 D170 K171 L371 T372 | V88-Y91 HydrophobicContact CG1-CE2 4.42Å; P89-Y91 HydrophobicContact CB-CE1 4.47Å; P89-Y91 HydrophobicContact CB-CE2 4.19Å; Y91-L146 HydrophobicContact CD1-CD2 3.94Å; Y91-L146 HydrophobicContact CD1-CG 4.27Å; Y91-L146 HydrophobicContact CG-CD2 4.41Å; Y91-L147 CarbonylContact C-O 3.53Å; Y91-L147 VanDerWaalsContact CA-O 3.28Å; Y91-L147 WeakPolarHBondContact CA-O 3.31Å; Y91-A148 HydrophobicContact CD1-CB 3.87Å; Y91-A148 HydrophobicContact CE1-CB 3.73Å; Y91-Q169 CarbonylContact C-O 3.53Å; Y91-Q169 WeakPolarHBondContact CB-O 3.46Å; Y91-Q169 PolarHBondContact O-N 2.92Å; Y91-Q169 VanDerWaalsContact O-N 3.15Å; Y91-D170 WeakPolarHBondContact CD2-OD1 3.39Å; Y91-K171 HydrophobicContact CD1-CB 3.97Å; Y91-K171 HydrophobicContact CD2-CB 3.91Å; Y91-K171 HydrophobicContact CE1-CB 3.94Å; Y91-K171 HydrophobicContact CE1-CD 4.05Å; Y91-K171 HydrophobicContact CE2-CB 3.88Å; Y91-K171 HydrophobicContact CG-CB 3.95Å; Y91-L371 WeakPolarHBondContact CE2-O 3.41Å; Y91-L371 PolarHBondContact OH-O 2.89Å; Y91-T372 HydrophobicContact CE2-CG2 4.43Å |
| 92 | V | 95.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 122.6 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | L147 F149 L155 F160 L166 I167 I168 | V92-L147 PolarHBondContact N-O 2.99Å; V92-L147 WeakPolarHBondContact O-CB 3.34Å; V92-L147 PolarHBondContact O-N 3.35Å; V92-F149 HydrophobicContact CB-CD2 4.35Å; V92-F149 HydrophobicContact CB-CE2 3.86Å; V92-F149 HydrophobicContact CG2-CD2 3.74Å; V92-F149 HydrophobicContact CG2-CE2 3.61Å; V92-L155 HydrophobicContact CG2-CD1 3.42Å; V92-L155 VanDerWaalsContact CG2-CD1 3.42Å; V92-F160 HydrophobicContact CG1-CD1 4.28Å; V92-F160 HydrophobicContact CG2-CD1 4.1Å; V92-L166 HydrophobicContact CG1-CB 3.69Å; V92-L166 HydrophobicContact CG1-CD2 3.82Å; V92-L166 HydrophobicContact CG1-CG 4.24Å; V92-I167 CarbonylContact C-O 3.58Å; V92-I167 WeakPolarHBondContact CA-O 3.13Å; V92-I168 HydrophobicContact CG2-CG1 4.35Å |
| 93 | R | 96.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.9 | 174.3 | -171.1 | 173.5 | 65 | 86.4 | -6.8 | 109.6 | D145 L146 I167 Q169 S200 T204 | R93-D145 CarbonylContact C-O 3.54Å; R93-D145 WeakPolarHBondContact CA-O 3.34Å; R93-L146 HydrophobicContact CB-CD1 3.96Å; R93-I167 HydrophobicContact CB-CB 4.48Å; R93-I167 PolarHBondContact N-O 3.42Å; R93-I167 PolarHBondContact O-N 2.89Å; R93-Q169 HydrophobicContact CB-CB 4.47Å; R93-S200 PolarHBondContact NH2-OG 3.17Å; R93-T204 PolarHBondContact NH1-OG1 2.63Å |
| 94 | I | 97.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130.7 | 167.7 | -59.2 | 177 | 0 | 0 | 0 | 107.6 | S96 T99 A101 V104 D145 L147 L166 | I94-S96 PolarHBondContact O-N 3.44Å; I94-T99 HydrophobicContact CG2-CG2 4Å; I94-A101 HydrophobicContact CD1-CB 4.07Å; I94-V104 HydrophobicContact CD1-CB 4.05Å; I94-V104 HydrophobicContact CD1-CG1 3.92Å; I94-V104 HydrophobicContact CD1-CG2 4.37Å; I94-V104 HydrophobicContact CG1-CB 4.37Å; I94-V104 HydrophobicContact CG1-CG1 4.05Å; I94-V104 HydrophobicContact CG1-CG2 4.26Å; I94-V104 HydrophobicContact CG2-CG2 3.79Å; I94-D145 HydrophobicContact CB-CB 4.01Å; I94-D145 WeakPolarHBondContact CG1-O 3.36Å; I94-D145 PolarHBondContact N-O 2.98Å; I94-L147 HydrophobicContact CD1-CD1 4.01Å; I94-L147 HydrophobicContact CD1-CD2 4.12Å; I94-L147 HydrophobicContact CD1-CG 4.07Å; I94-L147 HydrophobicContact CG1-CD1 4.01Å; I94-L147 HydrophobicContact CG1-CG 4.08Å; I94-L166 HydrophobicContact CG1-CD2 4.17Å |
| 95 | N | 97.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -87 | 84.7 | 176.6 | -174.3 | 10.2 | 0 | 0 | 0 | 110.5 | L97 I98 T99 G164 Y165 I167 F232 | N95-L97 PolarHBondContact O-N 3.33Å; N95-L97 WeakPolarHBondContact OD1-CB 3.34Å; N95-L97 PolarHBondContact OD1-N 3.19Å; N95-I98 HydrophobicContact CB-CG1 4.31Å; N95-I98 PolarHBondContact O-N 2.9Å; N95-I98 VanDerWaalsContact O-N 3.11Å; N95-T99 WeakPolarHBondContact O-CG2 3.45Å; N95-T99 PolarHBondContact O-N 3.23Å; N95-G164 WeakPolarHBondContact CB-O 3.33Å; N95-G164 PolarHBondContact ND2-O 2.93Å; N95-Y165 WeakPolarHBondContact CB-O 3.48Å; N95-Y165 PolarHBondContact N-O 3.29Å; N95-I167 HydrophobicContact CB-CD1 3.9Å; N95-I167 HydrophobicContact CB-CG1 4.27Å; N95-F232 WeakPolarHBondContact ND2-CA 3.31Å; N95-F232 PolarHBondContact ND2-O 3.03Å | ||
| 96 | S | 97.4 | Very high | 92.3 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -2.6 | -178.5 | 27.7 | 0 | 0 | 0 | 0 | 115 | I94 I98 T99 D145 T204 | I94-S96 PolarHBondContact O-N 3.44Å; S96-I98 VanDerWaalsContact C-N 3.33Å; S96-T99 WeakPolarHBondContact CA-O 3.49Å; S96-D145 VanDerWaalsContact CB-OD2 3.24Å; S96-D145 WeakPolarHBondContact CB-OD2 3.08Å; S96-D145 PolarHBondContact OG-OD2 3.43Å; S96-T204 WeakPolarHBondContact OG-CG2 3.48Å |
| 97 | L | 97.7 | Very high | 93.7 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.7 | 168.9 | -65.3 | 179.3 | 0 | 0 | 0 | 113.3 | N95 A203 N208 V234 | N95-L97 PolarHBondContact O-N 3.33Å; N95-L97 WeakPolarHBondContact OD1-CB 3.34Å; N95-L97 PolarHBondContact OD1-N 3.19Å; L97-A203 HydrophobicContact CD1-CB 4.01Å; L97-N208 HydrophobicContact CD2-CB 4.4Å; L97-V234 HydrophobicContact CD1-CG2 4Å |
| 98 | I | 96.7 | Very high | 94.5 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 33% | 0.333 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | -1.8 | -171.4 | 66.8 | 173.8 | 0 | 0 | 0 | 114.4 | N95 S96 Y165 | N95-I98 HydrophobicContact CB-CG1 4.31Å; N95-I98 PolarHBondContact O-N 2.9Å; N95-I98 VanDerWaalsContact O-N 3.11Å; S96-I98 VanDerWaalsContact C-N 3.33Å; I98-Y165 HydrophobicContact CD1-CD1 3.9Å; I98-Y165 HydrophobicContact CD1-CE1 4.15Å; I98-Y165 HydrophobicContact CG1-CD1 3.94Å; I98-Y165 HydrophobicContact CG1-CE1 4.31Å |
| 99 | T | 95.8 | Very high | 94.7 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 13% | 0.129 | 22% | 0.222 | C | C | . | . | trans | -152.3 | 167.2 | 174.2 | -171 | 0 | 0 | 0 | 0 | 110.7 | I94 N95 S96 E103 V104 Y165 | I94-T99 HydrophobicContact CG2-CG2 4Å; N95-T99 WeakPolarHBondContact O-CG2 3.45Å; N95-T99 PolarHBondContact O-N 3.23Å; S96-T99 WeakPolarHBondContact CA-O 3.49Å; T99-E103 PolarHBondContact OG1-OE2 3.4Å; T99-V104 HydrophobicContact CG2-CG2 3.84Å; T99-Y165 HydrophobicContact CG2-CD1 4.1Å | ||
| 100 | S | 96.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 27% | 0.266 | 25% | 0.25 | S | C | . | . | trans | -101.3 | 154.7 | 172.1 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | Q102 E103 V104 | S100-Q102 PolarHBondContact O-N 3.34Å; S100-E103 PolarHBondContact N-OE2 2.97Å; S100-E103 PolarHBondContact O-N 3.04Å; S100-E103 VanDerWaalsContact O-N 3.15Å; S100-E103 VanDerWaalsContact OG-CD 3.31Å; S100-E103 WeakPolarHBondContact OG-CG 3.33Å; S100-E103 PolarHBondContact OG-N 3.5Å; S100-E103 PolarHBondContact OG-OE2 3.35Å; S100-V104 PolarHBondContact O-N 2.82Å; S100-V104 VanDerWaalsContact O-N 3.16Å | ||
| 101 | A | 95.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 49 Ų | 49 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.3 | -40 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I94 E103 V104 H105 | I94-A101 HydrophobicContact CD1-CB 4.07Å; A101-E103 VanDerWaalsContact C-N 3.33Å; A101-E103 PolarHBondContact O-N 3.5Å; A101-V104 PolarHBondContact O-N 3.02Å; A101-H105 VanDerWaalsContact C-CD2 3.49Å; A101-H105 PolarHBondContact O-CD2 2.84Å; A101-H105 VanDerWaalsContact O-CG 3.24Å; A101-H105 PolarHBondContact O-N 2.85Å |
| 102 | Q | 96.7 | Very high | 94.1 | Very high | 127 Ų | 127 | 51.2 Ų | 51.2 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 179.2 | -63.9 | 80.3 | 4.3 | 0 | 0 | 112.7 | S100 R106 | S100-Q102 PolarHBondContact O-N 3.34Å; Q102-R106 WeakPolarHBondContact O-CB 3.37Å; Q102-R106 VanDerWaalsContact O-CG 3.31Å; Q102-R106 WeakPolarHBondContact O-CG 3.49Å; Q102-R106 PolarHBondContact O-N 3.14Å; Q102-R106 VanDerWaalsContact O-N 3.14Å; Q102-R106 PolarHBondContact O-NE 3.47Å |
| 103 | E | 95.2 | Very high | 93.9 | Very high | 89 Ų | 89 | 51.6 Ų | 51.6 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 175.3 | -74.1 | 167.7 | 149.4 | 0 | 0 | 111.6 | T99 S100 A101 H105 R106 Y107 | T99-E103 PolarHBondContact OG1-OE2 3.4Å; S100-E103 PolarHBondContact N-OE2 2.97Å; S100-E103 PolarHBondContact O-N 3.04Å; S100-E103 VanDerWaalsContact O-N 3.15Å; S100-E103 VanDerWaalsContact OG-CD 3.31Å; S100-E103 WeakPolarHBondContact OG-CG 3.33Å; S100-E103 PolarHBondContact OG-N 3.5Å; S100-E103 PolarHBondContact OG-OE2 3.35Å; A101-E103 VanDerWaalsContact C-N 3.33Å; A101-E103 PolarHBondContact O-N 3.5Å; E103-H105 PolarHBondContact O-N 2.91Å; E103-R106 PolarHBondContact O-N 3.35Å; E103-Y107 WeakPolarHBondContact O-CB 3.43Å; E103-Y107 PolarHBondContact O-N 2.97Å |
| 104 | V | 94.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 176.3 | 168.3 | 0 | 0 | 0 | 0 | 111 | I94 T99 S100 A101 R106 Y107 L108 L147 L166 | I94-V104 HydrophobicContact CD1-CB 4.05Å; I94-V104 HydrophobicContact CD1-CG1 3.92Å; I94-V104 HydrophobicContact CD1-CG2 4.37Å; I94-V104 HydrophobicContact CG1-CB 4.37Å; I94-V104 HydrophobicContact CG1-CG1 4.05Å; I94-V104 HydrophobicContact CG1-CG2 4.26Å; I94-V104 HydrophobicContact CG2-CG2 3.79Å; T99-V104 HydrophobicContact CG2-CG2 3.84Å; S100-V104 PolarHBondContact O-N 2.82Å; S100-V104 VanDerWaalsContact O-N 3.16Å; A101-V104 PolarHBondContact O-N 3.02Å; V104-R106 VanDerWaalsContact C-N 3.34Å; V104-R106 PolarHBondContact O-N 3.15Å; V104-Y107 PolarHBondContact O-N 3.18Å; V104-L108 HydrophobicContact CG1-CD1 3.78Å; V104-L108 HydrophobicContact CG1-CG 4.17Å; V104-L108 WeakPolarHBondContact O-CB 3.4Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.41Å; V104-L108 PolarHBondContact O-N 3.17Å; V104-L147 HydrophobicContact CG1-CD1 3.99Å; V104-L166 HydrophobicContact CG1-CD2 3.77Å; V104-L166 HydrophobicContact CG2-CD2 4.21Å |
| 105 | H | 94.8 | Very high | 93.8 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 179.5 | -65.5 | -51.2 | 0 | 0 | 0 | 112.2 | A101 E103 L108 N109 M115 Y137 | A101-H105 VanDerWaalsContact C-CD2 3.49Å; A101-H105 PolarHBondContact O-CD2 2.84Å; A101-H105 VanDerWaalsContact O-CG 3.24Å; A101-H105 PolarHBondContact O-N 2.85Å; E103-H105 PolarHBondContact O-N 2.91Å; H105-L108 PolarHBondContact O-N 3.07Å; H105-N109 WeakPolarHBondContact O-CB 3.28Å; H105-N109 PolarHBondContact O-N 3.44Å; H105-M115 VanDerWaalsContact CE1-SD 3.53Å; H105-Y137 AromaticContact CE1-CE2 3.95Å; H105-Y137 AromaticContact ND1-CE2 3.56Å; H105-Y137 AromaticContact ND1-CZ 3.71Å; H105-Y137 PolarHBondContact ND1-OH 3.04Å |
| 106 | R | 94.8 | Very high | 93.7 | Very high | 156 Ų | 156 | 62 Ų | 62 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 173.9 | -79.8 | -180 | -79.5 | 144.6 | -11.4 | 111.8 | Q102 E103 V104 N109 S110 | Q102-R106 WeakPolarHBondContact O-CB 3.37Å; Q102-R106 VanDerWaalsContact O-CG 3.31Å; Q102-R106 WeakPolarHBondContact O-CG 3.49Å; Q102-R106 PolarHBondContact O-N 3.14Å; Q102-R106 VanDerWaalsContact O-N 3.14Å; Q102-R106 PolarHBondContact O-NE 3.47Å; E103-R106 PolarHBondContact O-N 3.35Å; V104-R106 VanDerWaalsContact C-N 3.34Å; V104-R106 PolarHBondContact O-N 3.15Å; R106-N109 PolarHBondContact O-N 3.14Å; R106-S110 WeakPolarHBondContact O-CB 3.48Å; R106-S110 PolarHBondContact O-N 2.93Å |
| 107 | Y | 90.7 | Very high | 93.5 | Very high | 103 Ų | 103 | 64.7 Ų | 64.7 | 40% | 0.404 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.6 | -50.7 | 176 | 167.3 | -105.8 | 0 | 0 | 0 | 111.6 | E103 V104 N109 S110 V111 | E103-Y107 WeakPolarHBondContact O-CB 3.43Å; E103-Y107 PolarHBondContact O-N 2.97Å; V104-Y107 PolarHBondContact O-N 3.18Å; Y107-N109 VanDerWaalsContact C-N 3.32Å; Y107-N109 PolarHBondContact O-N 3.42Å; Y107-S110 WeakPolarHBondContact O-CB 3.47Å; Y107-S110 PolarHBondContact O-N 2.83Å; Y107-S110 PolarHBondContact O-OG 3.26Å; Y107-V111 HydrophobicContact CD2-CG1 4.29Å; Y107-V111 HydrophobicContact CE1-CG2 4.47Å; Y107-V111 HydrophobicContact CE2-CG1 3.78Å; Y107-V111 PolarHBondContact O-N 3.11Å; Y107-V111 VanDerWaalsContact O-N 3.11Å |
| 108 | L | 90 | Very high | 92.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -45 | 179.5 | -72.9 | 178.6 | 0 | 0 | 0 | 111.4 | V104 H105 S110 V111 G112 W113 Y137 L147 F149 F160 | V104-L108 HydrophobicContact CG1-CD1 3.78Å; V104-L108 HydrophobicContact CG1-CG 4.17Å; V104-L108 WeakPolarHBondContact O-CB 3.4Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.41Å; V104-L108 PolarHBondContact O-N 3.17Å; H105-L108 PolarHBondContact O-N 3.07Å; L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 2.88Å; L108-V111 CarbonylContact O-C 3.6Å; L108-V111 WeakPolarHBondContact O-CG2 3.39Å; L108-V111 PolarHBondContact O-N 3.02Å; L108-G112 PolarHBondContact O-N 3.43Å; L108-W113 HydrophobicContact CB-CB 4.03Å; L108-W113 HydrophobicContact CD2-CG 4.31Å; L108-W113 WeakPolarHBondContact O-CB 3.35Å; L108-W113 PolarHBondContact O-N 2.94Å; L108-Y137 HydrophobicContact CB-CE1 4Å; L108-Y137 HydrophobicContact CD1-CD2 4.14Å; L108-Y137 HydrophobicContact CD1-CE1 4.03Å; L108-Y137 HydrophobicContact CD1-CE2 3.61Å; L108-L147 HydrophobicContact CD1-CD1 3.73Å; L108-F149 HydrophobicContact CD1-CZ 4.16Å; L108-F160 HydrophobicContact CD2-CE1 3.93Å; L108-F160 HydrophobicContact CD2-CE2 4.01Å; L108-F160 HydrophobicContact CD2-CZ 3.33Å |
| 109 | N | 91.3 | Very high | 92.4 | Very high | 114 Ų | 114 | 64 Ų | 64 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.6 | -42.6 | 174.3 | -174.8 | 71.9 | 0 | 0 | 0 | 112.2 | H105 R106 Y107 V111 G112 W113 | H105-N109 WeakPolarHBondContact O-CB 3.28Å; H105-N109 PolarHBondContact O-N 3.44Å; R106-N109 PolarHBondContact O-N 3.14Å; Y107-N109 VanDerWaalsContact C-N 3.32Å; Y107-N109 PolarHBondContact O-N 3.42Å; N109-V111 PolarHBondContact O-N 2.97Å; N109-G112 PolarHBondContact O-N 3.12Å; N109-W113 WeakPolarHBondContact CA-O 3.49Å |
| 110 | S | 89.6 | Confident | 92 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 62% | 0.622 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.3 | -26.6 | 179 | 78.3 | 0 | 0 | 0 | 0 | 113.7 | R106 Y107 L108 | R106-S110 WeakPolarHBondContact O-CB 3.48Å; R106-S110 PolarHBondContact O-N 2.93Å; Y107-S110 WeakPolarHBondContact O-CB 3.47Å; Y107-S110 PolarHBondContact O-N 2.83Å; Y107-S110 PolarHBondContact O-OG 3.26Å; L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 2.88Å |
| 111 | V | 85.3 | Confident | 91.8 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 16.4 | 176.6 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | Y107 L108 N109 | Y107-V111 HydrophobicContact CD2-CG1 4.29Å; Y107-V111 HydrophobicContact CE1-CG2 4.47Å; Y107-V111 HydrophobicContact CE2-CG1 3.78Å; Y107-V111 PolarHBondContact O-N 3.11Å; Y107-V111 VanDerWaalsContact O-N 3.11Å; L108-V111 CarbonylContact O-C 3.6Å; L108-V111 WeakPolarHBondContact O-CG2 3.39Å; L108-V111 PolarHBondContact O-N 3.02Å; N109-V111 PolarHBondContact O-N 2.97Å |
| 112 | G | 87.4 | Confident | 91.4 | Very high | 52 Ų | 52 | 69.7 Ų | 69.7 | 54% | 0.536 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 10.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L108 N109 | L108-G112 PolarHBondContact O-N 3.43Å; N109-G112 PolarHBondContact O-N 3.12Å |
| 113 | W | 91.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 70.8 Ų | 70.8 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 130.2 | 172.7 | -69.2 | 89.7 | 0 | 0 | 0 | 111.9 | L108 N109 Y135 Q136 Y137 F149 L155 F160 | L108-W113 HydrophobicContact CB-CB 4.03Å; L108-W113 HydrophobicContact CD2-CG 4.31Å; L108-W113 WeakPolarHBondContact O-CB 3.35Å; L108-W113 PolarHBondContact O-N 2.94Å; N109-W113 WeakPolarHBondContact CA-O 3.49Å; W113-Y135 CarbonylContact C-O 3.59Å; W113-Y135 VanDerWaalsContact CA-O 3.31Å; W113-Y135 WeakPolarHBondContact CA-O 3.48Å; W113-Y135 HydrophobicContact CD2-CD1 4.26Å; W113-Y135 VanDerWaalsContact CE3-CA 3.42Å; W113-Y135 HydrophobicContact CH2-CD1 4.44Å; W113-Y135 HydrophobicContact CZ2-CD1 4.12Å; W113-Y135 HydrophobicContact CZ2-CE1 4.5Å; W113-Y135 VanDerWaalsContact CZ3-CA 3.47Å; W113-Q136 WeakPolarHBondContact CZ3-O 3.47Å; W113-Y137 HydrophobicContact CB-CD1 3.76Å; W113-Y137 HydrophobicContact CB-CE1 3.79Å; W113-Y137 HydrophobicContact CE3-CD1 4.39Å; W113-F149 HydrophobicContact CD2-CD1 4.32Å; W113-F149 HydrophobicContact CD2-CE1 4.02Å; W113-F149 AromaticContact CE3-CD1 3.73Å; W113-F149 HydrophobicContact CE3-CD1 3.73Å; W113-F149 AromaticContact CE3-CE1 3.8Å; W113-F149 HydrophobicContact CE3-CE1 3.8Å; W113-F149 AromaticContact CH2-CD1 3.68Å; W113-F149 HydrophobicContact CH2-CD1 3.68Å; W113-F149 HydrophobicContact CH2-CE1 4.27Å; W113-F149 HydrophobicContact CZ2-CD1 4.24Å; W113-F149 HydrophobicContact CZ2-CE1 4.45Å; W113-F149 AromaticContact CZ3-CD1 3.42Å; W113-F149 HydrophobicContact CZ3-CD1 3.42Å; W113-F149 VanDerWaalsContact CZ3-CD1 3.42Å; W113-F149 AromaticContact CZ3-CE1 3.97Å; W113-F149 HydrophobicContact CZ3-CE1 3.97Å; W113-L155 HydrophobicContact CZ2-CD2 4.46Å; W113-F160 HydrophobicContact CZ2-CZ 4.48Å; W113-F160 AromaticContact NE1-CZ 3.89Å |
| 114 | E | 94.8 | Very high | 91 | Very high | 104 Ų | 104 | 72 Ų | 72 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126.1 | 174.3 | -177.9 | -170.7 | -167.1 | 0 | 0 | 110.5 | L116 Y135 Q136 Y137 | E114-L116 HydrophobicContact CG-CD2 4.47Å; E114-Y135 PolarHBondContact N-O 3.41Å; E114-Q136 HydrophobicContact CB-CG 4.39Å; E114-Q136 CarbonylContact O-C 3.35Å; E114-Q136 WeakPolarHBondContact O-CA 3.22Å; E114-Q136 PolarHBondContact OE2-NE2 2.96Å; E114-Y137 VanDerWaalsContact O-CD1 3.25Å; E114-Y137 WeakPolarHBondContact O-CD1 3.38Å; E114-Y137 PolarHBondContact O-N 2.73Å |
| 115 | M | 96.4 | Very high | 90.9 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.2 | 172.5 | -165.1 | 178.5 | 87.1 | 0 | 0 | 110.3 | H105 Y137 | H105-M115 VanDerWaalsContact CE1-SD 3.53Å; M115-Y137 CarbonylContact C-O 3.55Å; M115-Y137 WeakPolarHBondContact CA-O 3.41Å; M115-Y137 HydrophobicContact CB-CD1 4.47Å; M115-Y137 HydrophobicContact CB-CE1 3.77Å; M115-Y137 HydrophobicContact CB-CE2 4.17Å; M115-Y137 HydrophobicContact CG-CD2 4.42Å; M115-Y137 HydrophobicContact CG-CE1 4.33Å; M115-Y137 HydrophobicContact CG-CE2 3.84Å; M115-Y137 HydrophobicContact SD-CE2 4.29Å |
| 116 | L | 96.5 | Very high | 90.7 | Very high | 23 Ų | 23 | 72.2 Ų | 72.2 | 12% | 0.12 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 145.9 | 172.2 | -58.9 | -179.6 | 0 | 0 | 0 | 110.4 | E114 L128 M132 Q136 Y137 C138 | E114-L116 HydrophobicContact CG-CD2 4.47Å; L116-L128 HydrophobicContact CB-CD2 4.39Å; L116-L128 HydrophobicContact CD1-CD1 3.75Å; L116-M132 HydrophobicContact CD1-CG 4.15Å; L116-Q136 HydrophobicContact CD1-CB 3.91Å; L116-Q136 HydrophobicContact CD1-CG 4.39Å; L116-Q136 HydrophobicContact CG-CB 4.16Å; L116-Y137 PolarHBondContact N-O 2.78Å; L116-C138 HydrophobicContact CB-CB 4.34Å |
| 117 | P | 92.6 | Very high | 90.6 | Very high | 105 Ų | 105 | 69.4 Ų | 69.4 | 68% | 0.682 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 143 | 178.6 | 27.4 | -34.8 | 0 | 0 | 0 | 111.2 | P119 | P117-P119 VanDerWaalsContact O-CD 3.32Å; P117-P119 WeakPolarHBondContact O-CD 3.05Å |
| 118 | V | 82.9 | Confident | 90.7 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 124 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | C139 F141 | V118-C139 HydrophobicContact CG2-CB 3.66Å; V118-F141 HydrophobicContact CG1-CD2 4.35Å |
| 119 | P | 87.4 | Confident | 90.8 | Very high | 19 Ų | 19 | 67 Ų | 67 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 148.8 | -179.5 | -26 | 39 | 0 | 0 | 0 | 112.6 | P117 S121 K124 A125 L128 | P117-P119 VanDerWaalsContact O-CD 3.32Å; P117-P119 WeakPolarHBondContact O-CD 3.05Å; P119-S121 PolarHBondContact O-N 3.09Å; P119-K124 HydrophobicContact CB-CB 3.54Å; P119-K124 HydrophobicContact CG-CB 4.49Å; P119-A125 HydrophobicContact CB-CB 4.4Å; P119-A125 HydrophobicContact CG-CB 4.41Å; P119-L128 HydrophobicContact CG-CB 3.95Å; P119-L128 HydrophobicContact CG-CD2 3.58Å; P119-L128 HydrophobicContact CG-CG 4.37Å |
| 120 | P | 88.2 | Confident | 90.7 | Very high | 112 Ų | 112 | 68 Ų | 68 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -73.2 | -3.2 | -172.1 | 30.7 | -37.8 | 0 | 0 | 0 | 114.1 | K124 | P120-K124 HydrophobicContact CG-CD 4.14Š|
| 121 | S | 91.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -147.8 | 152.2 | -179.7 | 76 | 0 | 0 | 0 | 0 | 112.2 | P119 K123 K124 A125 | P119-S121 PolarHBondContact O-N 3.09Å; S121-K123 PolarHBondContact O-N 3.06Å; S121-K123 VanDerWaalsContact O-N 3.17Å; S121-K124 PolarHBondContact O-N 3.04Å; S121-K124 VanDerWaalsContact O-N 3.13Å; S121-K124 PolarHBondContact OG-N 2.86Å; S121-A125 PolarHBondContact O-N 3.16Å |
| 122 | R | 87.7 | Confident | 91.1 | Very high | 41 Ų | 41 | 66.2 Ų | 66.2 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.9 | -36.7 | 177.3 | -175.3 | 177.4 | 178.6 | -171.5 | -0.4 | 112.9 | K126 F141 K349 D370 | R122-K126 WeakPolarHBondContact O-CG 3.29Å; R122-K126 PolarHBondContact O-N 2.95Å; R122-F141 HydrophobicContact CB-CD1 4.25Å; R122-F141 HydrophobicContact CB-CE1 3.97Å; R122-F141 HydrophobicContact CB-CZ 4.44Å; R122-K349 VanDerWaalsContact NH1-N 3.1Å; R122-D370 IonicContact NH2-OD1 2.8Å; R122-D370 PolarHBondContact NH2-OD1 3.25Å |
| 123 | K | 90.3 | Very high | 91.2 | Very high | 150 Ų | 150 | 71 Ų | 71 | 65% | 0.652 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.2 | -51.6 | 178.3 | -175.4 | -178.4 | 175 | -175.5 | 0 | 110.8 | S121 A125 K126 E127 | S121-K123 PolarHBondContact O-N 3.06Å; S121-K123 VanDerWaalsContact O-N 3.17Å; K123-A125 VanDerWaalsContact C-N 3.32Å; K123-A125 PolarHBondContact O-N 2.86Å; K123-K126 PolarHBondContact O-N 3.21Å; K123-E127 VanDerWaalsContact CE-OE1 3.24Å; K123-E127 WeakPolarHBondContact CE-OE1 3.41Å; K123-E127 WeakPolarHBondContact O-CG 3.38Å; K123-E127 PolarHBondContact O-N 3.28Å |
| 124 | K | 92.9 | Very high | 90.9 | Very high | 115 Ų | 115 | 79.2 Ų | 79.2 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 178.6 | -68.5 | -175.2 | 174.6 | -177.5 | 0 | 112 | P119 P120 S121 E127 L128 | P119-K124 HydrophobicContact CB-CB 3.54Å; P119-K124 HydrophobicContact CG-CB 4.49Å; P120-K124 HydrophobicContact CG-CD 4.14Å; S121-K124 PolarHBondContact O-N 3.04Å; S121-K124 VanDerWaalsContact O-N 3.13Å; S121-K124 PolarHBondContact OG-N 2.86Å; K124-E127 PolarHBondContact O-N 3.29Å; K124-L128 WeakPolarHBondContact O-CB 3.37Å; K124-L128 PolarHBondContact O-N 3.38Å |
| 125 | A | 92.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 78.4 Ų | 78.4 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P119 S121 K123 E127 L128 L129 F141 | P119-A125 HydrophobicContact CB-CB 4.4Å; P119-A125 HydrophobicContact CG-CB 4.41Å; S121-A125 PolarHBondContact O-N 3.16Å; K123-A125 VanDerWaalsContact C-N 3.32Å; K123-A125 PolarHBondContact O-N 2.86Å; A125-E127 VanDerWaalsContact C-N 3.31Å; A125-E127 PolarHBondContact O-N 3Å; A125-L128 PolarHBondContact O-N 2.88Å; A125-L129 VanDerWaalsContact O-CG 3.27Å; A125-L129 WeakPolarHBondContact O-CG 3.27Å; A125-L129 PolarHBondContact O-N 2.87Å; A125-F141 HydrophobicContact CB-CB 3.87Å; A125-F141 HydrophobicContact CB-CD2 4.1Å; A125-F141 HydrophobicContact CB-CG 4.1Å |
| 126 | K | 91.2 | Very high | 90.3 | Very high | 44 Ų | 44 | 75.3 Ų | 75.3 | 19% | 0.191 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 175.5 | -73.9 | -177.4 | 177.6 | -170.2 | 0 | 113 | R122 K123 K130 R369 D370 L371 | R122-K126 WeakPolarHBondContact O-CG 3.29Å; R122-K126 PolarHBondContact O-N 2.95Å; K123-K126 PolarHBondContact O-N 3.21Å; K126-K130 WeakPolarHBondContact O-CG 3.24Å; K126-K130 PolarHBondContact O-N 3.02Å; K126-R369 WeakPolarHBondContact CE-O 3.38Å; K126-R369 PolarHBondContact NZ-O 3.26Å; K126-D370 IonicContact NZ-OD1 3.77Å; K126-D370 PolarHBondContact NZ-OD1 3.23Å; K126-D370 VanDerWaalsContact NZ-OD1 3.08Å; K126-L371 HydrophobicContact CB-CD1 4.39Å; K126-L371 HydrophobicContact CG-CD1 4.49Å |
| 127 | E | 91.9 | Very high | 90.2 | Very high | 97 Ų | 97 | 74.4 Ų | 74.4 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 175.2 | -72.4 | 166 | -173.1 | 0 | 0 | 111.2 | K123 K124 A125 L129 K130 T131 | K123-E127 VanDerWaalsContact CE-OE1 3.24Å; K123-E127 WeakPolarHBondContact CE-OE1 3.41Å; K123-E127 WeakPolarHBondContact O-CG 3.38Å; K123-E127 PolarHBondContact O-N 3.28Å; K124-E127 PolarHBondContact O-N 3.29Å; A125-E127 VanDerWaalsContact C-N 3.31Å; A125-E127 PolarHBondContact O-N 3Å; E127-L129 PolarHBondContact O-N 2.91Å; E127-K130 PolarHBondContact O-N 3.08Å; E127-K130 VanDerWaalsContact O-N 3.16Å; E127-T131 PolarHBondContact O-N 3.21Å; E127-T131 PolarHBondContact O-OG1 3.27Å |
| 128 | L | 93.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 69.6 Ų | 69.6 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56 | -50.1 | 175.5 | -179 | 65.9 | 0 | 0 | 0 | 111.2 | L116 P119 K124 A125 K130 T131 M132 C138 | L116-L128 HydrophobicContact CB-CD2 4.39Å; L116-L128 HydrophobicContact CD1-CD1 3.75Å; P119-L128 HydrophobicContact CG-CB 3.95Å; P119-L128 HydrophobicContact CG-CD2 3.58Å; P119-L128 HydrophobicContact CG-CG 4.37Å; K124-L128 WeakPolarHBondContact O-CB 3.37Å; K124-L128 PolarHBondContact O-N 3.38Å; A125-L128 PolarHBondContact O-N 2.88Å; L128-K130 PolarHBondContact O-N 3.38Å; L128-T131 PolarHBondContact O-N 2.82Å; L128-T131 PolarHBondContact O-OG1 3.21Å; L128-M132 HydrophobicContact CD1-CG 4.35Å; L128-M132 HydrophobicContact CG-CG 4.18Å; L128-M132 VanDerWaalsContact O-CG 3.25Å; L128-M132 WeakPolarHBondContact O-CG 3.42Å; L128-M132 PolarHBondContact O-N 2.86Å; L128-C138 HydrophobicContact CD2-CB 4.04Å |
| 129 | L | 92.5 | Very high | 91 | Very high | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.6 | -25.6 | -179 | -71.9 | 178.5 | 0 | 0 | 0 | 113.8 | P89 A125 E127 M132 A148 L371 | P89-L129 HydrophobicContact CB-CD2 4.47Å; P89-L129 HydrophobicContact CG-CB 3.91Å; P89-L129 HydrophobicContact CG-CD1 4.41Å; P89-L129 HydrophobicContact CG-CD2 4.15Å; P89-L129 HydrophobicContact CG-CG 4.38Å; A125-L129 VanDerWaalsContact O-CG 3.27Å; A125-L129 WeakPolarHBondContact O-CG 3.27Å; A125-L129 PolarHBondContact O-N 2.87Å; E127-L129 PolarHBondContact O-N 2.91Å; L129-M132 HydrophobicContact CD2-CE 3.75Å; L129-A148 HydrophobicContact CD2-CB 3.33Å; L129-L371 HydrophobicContact CB-CD1 3.7Å; L129-L371 HydrophobicContact CD1-CD1 4.13Å |
| 130 | K | 89.8 | Confident | 91.4 | Very high | 135 Ų | 135 | 67.7 Ų | 67.7 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -84.9 | -20.6 | 177.1 | -69.7 | 172.5 | -179.9 | -178.3 | 0 | 113.5 | K126 E127 L128 L371 | K126-K130 WeakPolarHBondContact O-CG 3.24Å; K126-K130 PolarHBondContact O-N 3.02Å; E127-K130 PolarHBondContact O-N 3.08Å; E127-K130 VanDerWaalsContact O-N 3.16Å; L128-K130 PolarHBondContact O-N 3.38Å; K130-L371 HydrophobicContact CG-CD1 4.02Å; K130-L371 HydrophobicContact CG-CD2 4.33Å |
| 131 | T | 90.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -114.7 | -6.8 | -170.5 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | E127 L128 K133 | E127-T131 PolarHBondContact O-N 3.21Å; E127-T131 PolarHBondContact O-OG1 3.27Å; L128-T131 PolarHBondContact O-N 2.82Å; L128-T131 PolarHBondContact O-OG1 3.21Å; T131-K133 PolarHBondContact O-N 3.01Å |
| 132 | M | 91.5 | Very high | 91.8 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -52 | 130.3 | 177.6 | -65.6 | -167.2 | -65.7 | 0 | 0 | 111.6 | L116 L128 L129 A148 P150 | L116-M132 HydrophobicContact CD1-CG 4.15Å; L128-M132 HydrophobicContact CD1-CG 4.35Å; L128-M132 HydrophobicContact CG-CG 4.18Å; L128-M132 VanDerWaalsContact O-CG 3.25Å; L128-M132 WeakPolarHBondContact O-CG 3.42Å; L128-M132 PolarHBondContact O-N 2.86Å; L129-M132 HydrophobicContact CD2-CE 3.75Å; M132-A148 HydrophobicContact CE-CB 4.37Å; M132-P150 HydrophobicContact CB-CB 4.48Å; M132-P150 HydrophobicContact CB-CG 3.85Å |
| 133 | K | 88.7 | Confident | 92.1 | Very high | 152 Ų | 152 | 64.3 Ų | 64.3 | 66% | 0.661 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 167.9 | 176.8 | -58.6 | 177 | -176.4 | 173.7 | 0 | 110.4 | T131 Q136 P150 | T131-K133 PolarHBondContact O-N 3.01Å; K133-Q136 HydrophobicContact CB-CG 4.33Å; K133-Q136 WeakPolarHBondContact O-CB 3.14Å; K133-Q136 PolarHBondContact O-N 3.31Å; K133-P150 WeakPolarHBondContact O-CG 3.38Å |
| 134 | R | 85 | Confident | 92.3 | Very high | 181 Ų | 181 | 65 Ų | 65 | 68% | 0.683 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 141 | 172.5 | -170.4 | -178.5 | 168.6 | 165.6 | -8 | 109.8 | Q136 | R134-Q136 PolarHBondContact O-N 3.12Š|
| 135 | Y | 85.4 | Confident | 92.5 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 18.3 | -176.7 | -58.6 | -66.9 | 0 | 0 | 0 | 115.3 | W113 E114 | W113-Y135 CarbonylContact C-O 3.59Å; W113-Y135 VanDerWaalsContact CA-O 3.31Å; W113-Y135 WeakPolarHBondContact CA-O 3.48Å; W113-Y135 HydrophobicContact CD2-CD1 4.26Å; W113-Y135 VanDerWaalsContact CE3-CA 3.42Å; W113-Y135 HydrophobicContact CH2-CD1 4.44Å; W113-Y135 HydrophobicContact CZ2-CD1 4.12Å; W113-Y135 HydrophobicContact CZ2-CE1 4.5Å; W113-Y135 VanDerWaalsContact CZ3-CA 3.47Å; E114-Y135 PolarHBondContact N-O 3.41Å |
| 136 | Q | 92.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 61 Ų | 61 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 151.9 | 167.1 | -62.1 | -175.7 | -40.9 | 0 | 0 | 110.5 | W113 E114 L116 K133 R134 P150 | W113-Q136 WeakPolarHBondContact CZ3-O 3.47Å; E114-Q136 HydrophobicContact CB-CG 4.39Å; E114-Q136 CarbonylContact O-C 3.35Å; E114-Q136 WeakPolarHBondContact O-CA 3.22Å; E114-Q136 PolarHBondContact OE2-NE2 2.96Å; L116-Q136 HydrophobicContact CD1-CB 3.91Å; L116-Q136 HydrophobicContact CD1-CG 4.39Å; L116-Q136 HydrophobicContact CG-CB 4.16Å; K133-Q136 HydrophobicContact CB-CG 4.33Å; K133-Q136 WeakPolarHBondContact O-CB 3.14Å; K133-Q136 PolarHBondContact O-N 3.31Å; R134-Q136 PolarHBondContact O-N 3.12Å; Q136-P150 WeakPolarHBondContact O-CD 3.28Å |
| 137 | Y | 95.1 | Very high | 93 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 166.6 | 172.4 | 75 | -75.5 | 0 | 0 | 0 | 110.6 | H105 L108 W113 E114 M115 L116 L147 A148 F149 | H105-Y137 AromaticContact CE1-CE2 3.95Å; H105-Y137 AromaticContact ND1-CE2 3.56Å; H105-Y137 AromaticContact ND1-CZ 3.71Å; H105-Y137 PolarHBondContact ND1-OH 3.04Å; L108-Y137 HydrophobicContact CB-CE1 4Å; L108-Y137 HydrophobicContact CD1-CD2 4.14Å; L108-Y137 HydrophobicContact CD1-CE1 4.03Å; L108-Y137 HydrophobicContact CD1-CE2 3.61Å; W113-Y137 HydrophobicContact CB-CD1 3.76Å; W113-Y137 HydrophobicContact CB-CE1 3.79Å; W113-Y137 HydrophobicContact CE3-CD1 4.39Å; E114-Y137 VanDerWaalsContact O-CD1 3.25Å; E114-Y137 WeakPolarHBondContact O-CD1 3.38Å; E114-Y137 PolarHBondContact O-N 2.73Å; M115-Y137 CarbonylContact C-O 3.55Å; M115-Y137 WeakPolarHBondContact CA-O 3.41Å; M115-Y137 HydrophobicContact CB-CD1 4.47Å; M115-Y137 HydrophobicContact CB-CE1 3.77Å; M115-Y137 HydrophobicContact CB-CE2 4.17Å; M115-Y137 HydrophobicContact CG-CD2 4.42Å; M115-Y137 HydrophobicContact CG-CE1 4.33Å; M115-Y137 HydrophobicContact CG-CE2 3.84Å; M115-Y137 HydrophobicContact SD-CE2 4.29Å; L116-Y137 PolarHBondContact N-O 2.78Å; Y137-L147 HydrophobicContact CD2-CB 4.43Å; Y137-L147 HydrophobicContact CD2-CD1 4.16Å; Y137-L147 HydrophobicContact CD2-CD2 4.23Å; Y137-L147 HydrophobicContact CE2-CD1 4.05Å; Y137-L147 HydrophobicContact CE2-CD2 4.16Å; Y137-A148 VanDerWaalsContact CA-O 3.31Å; Y137-A148 WeakPolarHBondContact CA-O 3.46Å; Y137-A148 WeakPolarHBondContact CB-O 3.41Å; Y137-F149 VanDerWaalsContact CB-CE1 3.46Å; Y137-F149 HydrophobicContact CD1-CE1 4.44Å; Y137-F149 HydrophobicContact CD2-CE1 4.4Å; Y137-F149 HydrophobicContact CD2-CZ 4.21Å; Y137-F149 AromaticContact CG-CE1 3.88Å; Y137-F149 HydrophobicContact CG-CE1 3.88Å; Y137-F149 HydrophobicContact CG-CZ 4.15Å |
| 138 | C | 96.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 160.7 | 172.6 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | L116 L128 L147 A148 | L116-C138 HydrophobicContact CB-CB 4.34Å; L128-C138 HydrophobicContact CD2-CB 4.04Å; C138-L147 WeakPolarHBondContact O-CA 3.23Å; C138-A148 PolarHBondContact N-O 3.38Å; C138-A148 VanDerWaalsContact N-O 3.15Å; C138-A148 PolarHBondContact O-N 2.91Å |
| 139 | C | 96.4 | Very high | 93.1 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 25% | 0.25 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 145.9 | 166.8 | -53.4 | 0 | 0 | 0 | 0 | 109.8 | V118 L146 L147 | V118-C139 HydrophobicContact CG2-CB 3.66Å; C139-L146 CarbonylContact C-O 3.57Å; C139-L147 HydrophobicContact CB-CD2 4.47Å |
| 140 | D | 95.5 | Very high | 93 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | trans | -69.1 | 146.6 | 178.3 | -171.8 | 66.3 | 0 | 0 | 0 | 111.4 | H142 V143 L146 K171 | D140-H142 PolarHBondContact OD2-N 2.74Å; D140-V143 PolarHBondContact OD2-N 3Å; D140-L146 HydrophobicContact CB-CB 3.77Å; D140-L146 HydrophobicContact CB-CD2 3.95Å; D140-L146 HydrophobicContact CB-CG 4.09Å; D140-L146 WeakPolarHBondContact CB-O 3.46Å; D140-L146 PolarHBondContact N-O 3.08Å; D140-K171 WeakPolarHBondContact OD1-CD 3.45Å; D140-K171 WeakPolarHBondContact OD1-CE 3.4Å; D140-K171 IonicContact OD1-NZ 3.74Å; D140-K171 PolarHBondContact OD1-NZ 3.45Å; D140-K171 WeakPolarHBondContact OD2-CE 3.42Å; D140-K171 IonicContact OD2-NZ 2.87Å; D140-K171 PolarHBondContact OD2-NZ 3.45Å | ||
| 141 | F | 93.7 | Very high | 92.5 | Very high | 79 Ų | 79 | 51.1 Ų | 51.1 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -73.4 | -28.2 | -178.9 | -175.7 | -91.5 | 0 | 0 | 0 | 113.9 | V118 R122 A125 | V118-F141 HydrophobicContact CG1-CD2 4.35Å; R122-F141 HydrophobicContact CB-CD1 4.25Å; R122-F141 HydrophobicContact CB-CE1 3.97Å; R122-F141 HydrophobicContact CB-CZ 4.44Å; A125-F141 HydrophobicContact CB-CB 3.87Å; A125-F141 HydrophobicContact CB-CD2 4.1Å; A125-F141 HydrophobicContact CB-CG 4.1Å |
| 142 | H | 93.5 | Very high | 91.6 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 22% | 0.218 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -109.1 | -30.1 | -174 | -56.8 | 121.1 | 0 | 0 | 0 | 113.4 | D140 K171 M178 W348 | D140-H142 PolarHBondContact OD2-N 2.74Å; H142-K171 VanDerWaalsContact ND1-CE 3.26Å; H142-K171 WeakPolarHBondContact ND1-CE 3.46Å; H142-K171 PolarHBondContact ND1-NZ 3.25Å; H142-M178 WeakPolarHBondContact O-CE 3.33Å; H142-W348 AromaticContact CE1-CE3 3.86Å; H142-W348 AromaticContact CE1-CZ3 3.53Å; H142-W348 AromaticContact ND1-CE3 3.85Å; H142-W348 AromaticContact ND1-CZ3 3.29Å; H142-W348 VanDerWaalsContact ND1-CZ3 3.29Å; H142-W348 WeakPolarHBondContact ND1-CZ3 3.44Å |
| 143 | V | 95.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -114.1 | 117.1 | -171.5 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | D140 L146 K171 C174 L175 M178 Y201 | D140-V143 PolarHBondContact OD2-N 3Å; V143-L146 HydrophobicContact CB-CB 3.71Å; V143-L146 HydrophobicContact CB-CD2 3.82Å; V143-L146 HydrophobicContact CB-CG 4.39Å; V143-L146 HydrophobicContact CG1-CB 3.86Å; V143-L146 HydrophobicContact CG1-CD2 4.27Å; V143-L146 HydrophobicContact CG2-CD2 3.97Å; V143-L146 WeakPolarHBondContact O-CB 3.49Å; V143-L146 PolarHBondContact O-N 3.26Å; V143-K171 HydrophobicContact CG2-CG 4.2Å; V143-C174 HydrophobicContact CG1-CB 3.92Å; V143-C174 HydrophobicContact CG2-CB 4.21Å; V143-L175 HydrophobicContact CG2-CD2 4.44Å; V143-M178 HydrophobicContact CB-SD 4.29Å; V143-M178 HydrophobicContact CG1-SD 4.05Å; V143-M178 HydrophobicContact CG2-SD 3.71Å; V143-Y201 WeakPolarHBondContact CG1-OH 3.21Å |
| 144 | E | 94.5 | Very high | 90.1 | Very high | 164 Ų | 164 | 44.1 Ų | 44.1 | 77% | 0.766 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 146.9 | 171.8 | -174.6 | 172.2 | -165.9 | 0 | 0 | 110.6 | L146 | E144-L146 PolarHBondContact O-N 3.23Š|
| 145 | D | 96.2 | Very high | 89.6 | Confident | 40 Ų | 40 | 35.5 Ų | 35.5 | 21% | 0.214 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 10.3 | -179.1 | -77.4 | -16.2 | 0 | 0 | 0 | 115.1 | R93 I94 S96 | R93-D145 CarbonylContact C-O 3.54Å; R93-D145 WeakPolarHBondContact CA-O 3.34Å; I94-D145 HydrophobicContact CB-CB 4.01Å; I94-D145 WeakPolarHBondContact CG1-O 3.36Å; I94-D145 PolarHBondContact N-O 2.98Å; S96-D145 VanDerWaalsContact CB-OD2 3.24Å; S96-D145 WeakPolarHBondContact CB-OD2 3.08Å; S96-D145 PolarHBondContact OG-OD2 3.43Å |
| 146 | L | 97.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.8 | 172.6 | -168.3 | 72.2 | 0 | 0 | 0 | 110 | Y91 R93 C139 D140 V143 E144 K171 | Y91-L146 HydrophobicContact CD1-CD2 3.94Å; Y91-L146 HydrophobicContact CD1-CG 4.27Å; Y91-L146 HydrophobicContact CG-CD2 4.41Å; R93-L146 HydrophobicContact CB-CD1 3.96Å; C139-L146 CarbonylContact C-O 3.57Å; D140-L146 HydrophobicContact CB-CB 3.77Å; D140-L146 HydrophobicContact CB-CD2 3.95Å; D140-L146 HydrophobicContact CB-CG 4.09Å; D140-L146 WeakPolarHBondContact CB-O 3.46Å; D140-L146 PolarHBondContact N-O 3.08Å; V143-L146 HydrophobicContact CB-CB 3.71Å; V143-L146 HydrophobicContact CB-CD2 3.82Å; V143-L146 HydrophobicContact CB-CG 4.39Å; V143-L146 HydrophobicContact CG1-CB 3.86Å; V143-L146 HydrophobicContact CG1-CD2 4.27Å; V143-L146 HydrophobicContact CG2-CD2 3.97Å; V143-L146 WeakPolarHBondContact O-CB 3.49Å; V143-L146 PolarHBondContact O-N 3.26Å; E144-L146 PolarHBondContact O-N 3.23Å; L146-K171 HydrophobicContact CD2-CB 3.72Å; L146-K171 HydrophobicContact CD2-CD 4.45Å; L146-K171 HydrophobicContact CD2-CG 3.83Å |
| 147 | L | 96.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.1 | 177 | -56.4 | -176.8 | 0 | 0 | 0 | 110.1 | Y91 V92 I94 V104 L108 Y137 C138 C139 F149 | Y91-L147 CarbonylContact C-O 3.53Å; Y91-L147 VanDerWaalsContact CA-O 3.28Å; Y91-L147 WeakPolarHBondContact CA-O 3.31Å; V92-L147 PolarHBondContact N-O 2.99Å; V92-L147 WeakPolarHBondContact O-CB 3.34Å; V92-L147 PolarHBondContact O-N 3.35Å; I94-L147 HydrophobicContact CD1-CD1 4.01Å; I94-L147 HydrophobicContact CD1-CD2 4.12Å; I94-L147 HydrophobicContact CD1-CG 4.07Å; I94-L147 HydrophobicContact CG1-CD1 4.01Å; I94-L147 HydrophobicContact CG1-CG 4.08Å; V104-L147 HydrophobicContact CG1-CD1 3.99Å; L108-L147 HydrophobicContact CD1-CD1 3.73Å; Y137-L147 HydrophobicContact CD2-CB 4.43Å; Y137-L147 HydrophobicContact CD2-CD1 4.16Å; Y137-L147 HydrophobicContact CD2-CD2 4.23Å; Y137-L147 HydrophobicContact CE2-CD1 4.05Å; Y137-L147 HydrophobicContact CE2-CD2 4.16Å; C138-L147 WeakPolarHBondContact O-CA 3.23Å; C139-L147 HydrophobicContact CB-CD2 4.47Å; L147-F149 HydrophobicContact CB-CD2 4.41Å; L147-F149 HydrophobicContact CB-CE2 3.57Å; L147-F149 HydrophobicContact CB-CZ 4.11Å; L147-F149 HydrophobicContact CD1-CE2 4.34Å; L147-F149 HydrophobicContact CD1-CZ 4.18Å |
| 148 | A | 95.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y91 L129 M132 Y137 C138 | Y91-A148 HydrophobicContact CD1-CB 3.87Å; Y91-A148 HydrophobicContact CE1-CB 3.73Å; L129-A148 HydrophobicContact CD2-CB 3.33Å; M132-A148 HydrophobicContact CE-CB 4.37Å; Y137-A148 VanDerWaalsContact CA-O 3.31Å; Y137-A148 WeakPolarHBondContact CA-O 3.46Å; Y137-A148 WeakPolarHBondContact CB-O 3.41Å; C138-A148 PolarHBondContact N-O 3.38Å; C138-A148 VanDerWaalsContact N-O 3.15Å; C138-A148 PolarHBondContact O-N 2.91Å |
| 149 | F | 92.5 | Very high | 84 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 150.9 | -179.3 | -64.4 | -92.6 | 0 | 0 | 0 | 110.4 | P89 K90 V92 L108 W113 Y137 L147 L155 F160 | P89-F149 CarbonylContact C-O 3.58Å; P89-F149 VanDerWaalsContact CA-O 3.27Å; P89-F149 WeakPolarHBondContact CA-O 3.38Å; P89-F149 VanDerWaalsContact CB-O 3.32Å; P89-F149 WeakPolarHBondContact CB-O 3.4Å; K90-F149 HydrophobicContact CB-CB 4.41Å; K90-F149 PolarHBondContact N-O 3.14Å; K90-F149 WeakPolarHBondContact O-CB 3.27Å; K90-F149 PolarHBondContact O-N 2.8Å; V92-F149 HydrophobicContact CB-CD2 4.35Å; V92-F149 HydrophobicContact CB-CE2 3.86Å; V92-F149 HydrophobicContact CG2-CD2 3.74Å; V92-F149 HydrophobicContact CG2-CE2 3.61Å; L108-F149 HydrophobicContact CD1-CZ 4.16Å; W113-F149 HydrophobicContact CD2-CD1 4.32Å; W113-F149 HydrophobicContact CD2-CE1 4.02Å; W113-F149 AromaticContact CE3-CD1 3.73Å; W113-F149 HydrophobicContact CE3-CD1 3.73Å; W113-F149 AromaticContact CE3-CE1 3.8Å; W113-F149 HydrophobicContact CE3-CE1 3.8Å; W113-F149 AromaticContact CH2-CD1 3.68Å; W113-F149 HydrophobicContact CH2-CD1 3.68Å; W113-F149 HydrophobicContact CH2-CE1 4.27Å; W113-F149 HydrophobicContact CZ2-CD1 4.24Å; W113-F149 HydrophobicContact CZ2-CE1 4.45Å; W113-F149 AromaticContact CZ3-CD1 3.42Å; W113-F149 HydrophobicContact CZ3-CD1 3.42Å; W113-F149 VanDerWaalsContact CZ3-CD1 3.42Å; W113-F149 AromaticContact CZ3-CE1 3.97Å; W113-F149 HydrophobicContact CZ3-CE1 3.97Å; Y137-F149 VanDerWaalsContact CB-CE1 3.46Å; Y137-F149 HydrophobicContact CD1-CE1 4.44Å; Y137-F149 HydrophobicContact CD2-CE1 4.4Å; Y137-F149 HydrophobicContact CD2-CZ 4.21Å; Y137-F149 AromaticContact CG-CE1 3.88Å; Y137-F149 HydrophobicContact CG-CE1 3.88Å; Y137-F149 HydrophobicContact CG-CZ 4.15Å; L147-F149 HydrophobicContact CB-CD2 4.41Å; L147-F149 HydrophobicContact CB-CE2 3.57Å; L147-F149 HydrophobicContact CB-CZ 4.11Å; L147-F149 HydrophobicContact CD1-CE2 4.34Å; L147-F149 HydrophobicContact CD1-CZ 4.18Å; F149-L155 HydrophobicContact CB-CD2 4.18Å; F149-L155 HydrophobicContact CD1-CD2 4Å; F149-L155 HydrophobicContact CD2-CD1 4.28Å; F149-L155 HydrophobicContact CD2-CD2 4.28Å; F149-L155 HydrophobicContact CG-CD1 4.46Å; F149-L155 HydrophobicContact CG-CD2 3.88Å; F149-F160 AromaticContact CE1-CE1 3.81Å; F149-F160 HydrophobicContact CE1-CE1 3.81Å; F149-F160 HydrophobicContact CE1-CZ 4.11Å; F149-F160 HydrophobicContact CE2-CE1 4.05Å; F149-F160 AromaticContact CZ-CE1 3.54Å; F149-F160 HydrophobicContact CZ-CE1 3.54Å; F149-F160 HydrophobicContact CZ-CZ 4.22Å |
| 150 | P | 88.7 | Confident | 83 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | trans | -53.3 | 148 | 177.9 | -21.3 | 23.7 | 0 | 0 | 0 | 112.4 | M132 K133 Q136 G152 S153 | M132-P150 HydrophobicContact CB-CB 4.48Å; M132-P150 HydrophobicContact CB-CG 3.85Å; K133-P150 WeakPolarHBondContact O-CG 3.38Å; Q136-P150 WeakPolarHBondContact O-CD 3.28Å; P150-G152 PolarHBondContact O-N 2.96Å; P150-S153 WeakPolarHBondContact O-CB 3.15Å; P150-S153 PolarHBondContact O-N 3.42Å; P150-S153 PolarHBondContact O-OG 2.88Å | ||
| 151 | H | 80.6 | Confident | 81.8 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 140 | 170.8 | 171.3 | -91.5 | 0 | 0 | 0 | 111 | V88 S153 | V88-H151 WeakPolarHBondContact O-CB 3.33Å; V88-H151 PolarHBondContact O-CD2 2.59Å; H151-S153 VanDerWaalsContact C-N 3.29Å; H151-S153 PolarHBondContact O-N 3.3Å |
| 152 | G | 72.2 | Confident | 81 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -4.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P150 N154 | P150-G152 PolarHBondContact O-N 2.96Å; G152-N154 PolarHBondContact O-N 3.24Å |
| 153 | S | 75.5 | Confident | 80.5 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | trans | -54.9 | 131.3 | 172.8 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | K90 P150 H151 L155 | K90-S153 WeakPolarHBondContact CD-O 3.21Å; K90-S153 WeakPolarHBondContact CE-O 3.46Å; K90-S153 PolarHBondContact NZ-O 2.74Å; P150-S153 WeakPolarHBondContact O-CB 3.15Å; P150-S153 PolarHBondContact O-N 3.42Å; P150-S153 PolarHBondContact O-OG 2.88Å; H151-S153 VanDerWaalsContact C-N 3.29Å; H151-S153 PolarHBondContact O-N 3.3Å; S153-L155 PolarHBondContact O-N 3.45Å | ||
| 154 | N | 73 | Confident | 80.2 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | trans | -95.3 | 63.5 | -177.7 | -167 | 4.6 | 0 | 0 | 0 | 111.9 | G152 F156 A157 E158 | G152-N154 PolarHBondContact O-N 3.24Å; N154-F156 PolarHBondContact O-N 2.82Å; N154-F156 VanDerWaalsContact O-N 3.13Å; N154-A157 HydrophobicContact CB-CB 4.16Å; N154-A157 VanDerWaalsContact CG-CB 3.44Å; N154-A157 WeakPolarHBondContact ND2-CB 3.21Å; N154-A157 WeakPolarHBondContact O-CA 3.19Å; N154-A157 WeakPolarHBondContact O-CB 3.43Å; N154-A157 PolarHBondContact O-N 2.58Å; N154-E158 WeakPolarHBondContact O-CG 3.14Å; N154-E158 PolarHBondContact O-N 2.63Å; N154-E158 VanDerWaalsContact O-N 3.09Å | ||
| 155 | L | 74 | Confident | 80.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.1 | -171 | -53.9 | 175.1 | 0 | 0 | 0 | 114 | K90 V92 W113 F149 S153 E158 G159 F160 I168 | K90-L155 HydrophobicContact CB-CD1 3.59Å; K90-L155 HydrophobicContact CB-CG 4.5Å; K90-L155 HydrophobicContact CD-CD1 3.97Å; K90-L155 HydrophobicContact CD-CG 4.23Å; K90-L155 HydrophobicContact CG-CD1 4.45Å; V92-L155 HydrophobicContact CG2-CD1 3.42Å; V92-L155 VanDerWaalsContact CG2-CD1 3.42Å; W113-L155 HydrophobicContact CZ2-CD2 4.46Å; F149-L155 HydrophobicContact CB-CD2 4.18Å; F149-L155 HydrophobicContact CD1-CD2 4Å; F149-L155 HydrophobicContact CD2-CD1 4.28Å; F149-L155 HydrophobicContact CD2-CD2 4.28Å; F149-L155 HydrophobicContact CG-CD1 4.46Å; F149-L155 HydrophobicContact CG-CD2 3.88Å; S153-L155 PolarHBondContact O-N 3.45Å; L155-E158 PolarHBondContact O-N 2.78Å; L155-G159 PolarHBondContact O-N 3.4Å; L155-F160 HydrophobicContact CB-CB 4.34Å; L155-F160 HydrophobicContact CB-CD1 4.16Å; L155-F160 HydrophobicContact CB-CG 4.25Å; L155-F160 HydrophobicContact CD2-CD1 4.06Å; L155-F160 HydrophobicContact CD2-CE1 3.84Å; L155-F160 HydrophobicContact CD2-CZ 4.29Å; L155-F160 WeakPolarHBondContact O-CB 3.41Å; L155-F160 PolarHBondContact O-N 3.1Å; L155-I168 HydrophobicContact CB-CD1 4.05Å |
| 156 | F | 63.9 | Low | 80 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 53% | 0.531 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -42.5 | 172.9 | -75.4 | -76.8 | 0 | 0 | 0 | 112.5 | N154 E158 G159 N161 I168 | N154-F156 PolarHBondContact O-N 2.82Å; N154-F156 VanDerWaalsContact O-N 3.13Å; F156-E158 VanDerWaalsContact C-N 3.28Å; F156-E158 PolarHBondContact O-N 3.47Å; F156-G159 PolarHBondContact O-N 3.32Å; F156-N161 HydrophobicContact CD1-CB 3.79Å; F156-N161 HydrophobicContact CE1-CB 3.89Å; F156-N161 PolarHBondContact O-OD1 2.89Å; F156-I168 HydrophobicContact CD1-CD1 3.92Å; F156-I168 HydrophobicContact CD2-CD1 3.68Å; F156-I168 HydrophobicContact CE1-CD1 3.71Å; F156-I168 HydrophobicContact CE2-CD1 3.46Å; F156-I168 VanDerWaalsContact CE2-CD1 3.46Å; F156-I168 HydrophobicContact CG-CD1 3.9Å; F156-I168 HydrophobicContact CZ-CD1 3.47Å; F156-I168 VanDerWaalsContact CZ-CD1 3.47Å |
| 157 | A | 54.8 | Low | 79.8 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 60% | 0.603 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N154 G159 | N154-A157 HydrophobicContact CB-CB 4.16Å; N154-A157 VanDerWaalsContact CG-CB 3.44Å; N154-A157 WeakPolarHBondContact ND2-CB 3.21Å; N154-A157 WeakPolarHBondContact O-CA 3.19Å; N154-A157 WeakPolarHBondContact O-CB 3.43Å; N154-A157 PolarHBondContact O-N 2.58Å; A157-G159 PolarHBondContact O-N 2.82Å |
| 158 | E | 64.2 | Low | 79.6 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 0.8 | 170.8 | -54.6 | -65.6 | 167.5 | 0 | 0 | 112.3 | N154 L155 F156 F160 | N154-E158 WeakPolarHBondContact O-CG 3.14Å; N154-E158 PolarHBondContact O-N 2.63Å; N154-E158 VanDerWaalsContact O-N 3.09Å; L155-E158 PolarHBondContact O-N 2.78Å; F156-E158 VanDerWaalsContact C-N 3.28Å; F156-E158 PolarHBondContact O-N 3.47Å; E158-F160 HydrophobicContact CB-CD2 3.72Å; E158-F160 HydrophobicContact CB-CE2 3.67Å |
| 159 | G | 69.6 | Low | 79.5 | Confident | 15 Ų | 15 | 48 Ų | 48 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 13.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | L155 F156 A157 N161 K162 | L155-G159 PolarHBondContact O-N 3.4Å; F156-G159 PolarHBondContact O-N 3.32Å; A157-G159 PolarHBondContact O-N 2.82Å; G159-N161 PolarHBondContact O-N 3.33Å; G159-N161 VanDerWaalsContact O-N 3.08Å; G159-K162 VanDerWaalsContact O-CB 3.31Å; G159-K162 WeakPolarHBondContact O-CB 3.35Å; G159-K162 WeakPolarHBondContact O-CG 3.27Å; G159-K162 PolarHBondContact O-N 3.32Å |
| 160 | F | 74.5 | Confident | 79.6 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.7 | -174.1 | -77.2 | -147.3 | 0 | 0 | 0 | 112.9 | V92 L108 W113 F149 L155 E158 K162 L166 | V92-F160 HydrophobicContact CG1-CD1 4.28Å; V92-F160 HydrophobicContact CG2-CD1 4.1Å; L108-F160 HydrophobicContact CD2-CE1 3.93Å; L108-F160 HydrophobicContact CD2-CE2 4.01Å; L108-F160 HydrophobicContact CD2-CZ 3.33Å; W113-F160 HydrophobicContact CZ2-CZ 4.48Å; W113-F160 AromaticContact NE1-CZ 3.89Å; F149-F160 AromaticContact CE1-CE1 3.81Å; F149-F160 HydrophobicContact CE1-CE1 3.81Å; F149-F160 HydrophobicContact CE1-CZ 4.11Å; F149-F160 HydrophobicContact CE2-CE1 4.05Å; F149-F160 AromaticContact CZ-CE1 3.54Å; F149-F160 HydrophobicContact CZ-CE1 3.54Å; F149-F160 HydrophobicContact CZ-CZ 4.22Å; L155-F160 HydrophobicContact CB-CB 4.34Å; L155-F160 HydrophobicContact CB-CD1 4.16Å; L155-F160 HydrophobicContact CB-CG 4.25Å; L155-F160 HydrophobicContact CD2-CD1 4.06Å; L155-F160 HydrophobicContact CD2-CE1 3.84Å; L155-F160 HydrophobicContact CD2-CZ 4.29Å; L155-F160 WeakPolarHBondContact O-CB 3.41Å; L155-F160 PolarHBondContact O-N 3.1Å; E158-F160 HydrophobicContact CB-CD2 3.72Å; E158-F160 HydrophobicContact CB-CE2 3.67Å; F160-K162 VanDerWaalsContact C-N 3.28Å; F160-K162 PolarHBondContact O-N 2.93Å; F160-L166 HydrophobicContact CB-CB 4.28Å; F160-L166 HydrophobicContact CB-CD1 4.22Å; F160-L166 HydrophobicContact CD1-CD1 3.63Å; F160-L166 HydrophobicContact CD2-CD1 4.3Å; F160-L166 HydrophobicContact CE1-CD1 3.99Å; F160-L166 HydrophobicContact CG-CD1 3.8Å; F160-L166 HydrophobicContact CZ-CD1 4.49Å; F160-L166 VanDerWaalsContact O-CB 3.29Å; F160-L166 WeakPolarHBondContact O-CB 3.37Å |
| 161 | N | 71.6 | Confident | 80 | Confident | 83 Ų | 83 | 49 Ų | 49 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 4.2 | 176.2 | 66 | -58.9 | 0 | 0 | 0 | 113.9 | F156 G159 | F156-N161 HydrophobicContact CD1-CB 3.79Å; F156-N161 HydrophobicContact CE1-CB 3.89Å; F156-N161 PolarHBondContact O-OD1 2.89Å; G159-N161 PolarHBondContact O-N 3.33Å; G159-N161 VanDerWaalsContact O-N 3.08Å |
| 162 | K | 76.9 | Confident | 80.8 | Confident | 157 Ų | 157 | 44 Ų | 44 | 68% | 0.683 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -92.5 | 138.1 | -179.5 | -63.3 | -176.9 | 177 | -178.6 | 0 | 110.8 | G159 F160 G164 | G159-K162 VanDerWaalsContact O-CB 3.31Å; G159-K162 WeakPolarHBondContact O-CB 3.35Å; G159-K162 WeakPolarHBondContact O-CG 3.27Å; G159-K162 PolarHBondContact O-N 3.32Å; F160-K162 VanDerWaalsContact C-N 3.28Å; F160-K162 PolarHBondContact O-N 2.93Å; K162-G164 PolarHBondContact O-N 2.87Å |
| 163 | G | 82.7 | Confident | 82 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y165 | G163-Y165 VanDerWaalsContact C-N 3.26Å; G163-Y165 PolarHBondContact O-N 3.12Å |
| 164 | G | 89.4 | Confident | 83.1 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -2.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N95 K162 | N95-G164 WeakPolarHBondContact CB-O 3.33Å; N95-G164 PolarHBondContact ND2-O 2.93Å; K162-G164 PolarHBondContact O-N 2.87Å |
| 165 | Y | 92.3 | Very high | 84.3 | Confident | 124 Ų | 124 | 39.4 Ų | 39.4 | 49% | 0.486 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -68.2 | -33.7 | -178.4 | -54.3 | -70.3 | 0 | 0 | 0 | 113.7 | N95 I98 T99 G163 | N95-Y165 WeakPolarHBondContact CB-O 3.48Å; N95-Y165 PolarHBondContact N-O 3.29Å; I98-Y165 HydrophobicContact CD1-CD1 3.9Å; I98-Y165 HydrophobicContact CD1-CE1 4.15Å; I98-Y165 HydrophobicContact CG1-CD1 3.94Å; I98-Y165 HydrophobicContact CG1-CE1 4.31Å; T99-Y165 HydrophobicContact CG2-CD1 4.1Å; G163-Y165 VanDerWaalsContact C-N 3.26Å; G163-Y165 PolarHBondContact O-N 3.12Å |
| 166 | L | 93.5 | Very high | 85.5 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.3 | -179.2 | -72.2 | 176.9 | 0 | 0 | 0 | 109.3 | V92 I94 V104 F160 | V92-L166 HydrophobicContact CG1-CB 3.69Å; V92-L166 HydrophobicContact CG1-CD2 3.82Å; V92-L166 HydrophobicContact CG1-CG 4.24Å; I94-L166 HydrophobicContact CG1-CD2 4.17Å; V104-L166 HydrophobicContact CG1-CD2 3.77Å; V104-L166 HydrophobicContact CG2-CD2 4.21Å; F160-L166 HydrophobicContact CB-CB 4.28Å; F160-L166 HydrophobicContact CB-CD1 4.22Å; F160-L166 HydrophobicContact CD1-CD1 3.63Å; F160-L166 HydrophobicContact CD2-CD1 4.3Å; F160-L166 HydrophobicContact CE1-CD1 3.99Å; F160-L166 HydrophobicContact CG-CD1 3.8Å; F160-L166 HydrophobicContact CZ-CD1 4.49Å; F160-L166 VanDerWaalsContact O-CB 3.29Å; F160-L166 WeakPolarHBondContact O-CB 3.37Å |
| 167 | I | 94.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 110.9 | -174.7 | -57 | 176.1 | 0 | 0 | 0 | 108.6 | V92 R93 N95 Q169 F232 | V92-I167 CarbonylContact C-O 3.58Å; V92-I167 WeakPolarHBondContact CA-O 3.13Å; R93-I167 HydrophobicContact CB-CB 4.48Å; R93-I167 PolarHBondContact N-O 3.42Å; R93-I167 PolarHBondContact O-N 2.89Å; N95-I167 HydrophobicContact CB-CD1 3.9Å; N95-I167 HydrophobicContact CB-CG1 4.27Å; I167-Q169 HydrophobicContact CG2-CB 4.46Å; I167-Q169 PolarHBondContact O-N 3.43Å; I167-Q169 VanDerWaalsContact O-N 3.1Å; I167-F232 HydrophobicContact CD1-CB 4.42Å; I167-F232 HydrophobicContact CD1-CD1 3.72Å; I167-F232 HydrophobicContact CD1-CD2 3.93Å; I167-F232 HydrophobicContact CD1-CE1 3.87Å; I167-F232 HydrophobicContact CD1-CE2 4.04Å; I167-F232 HydrophobicContact CD1-CG 3.76Å; I167-F232 HydrophobicContact CD1-CZ 4.02Å; I167-F232 HydrophobicContact CG1-CD1 3.91Å; I167-F232 HydrophobicContact CG1-CE1 3.63Å; I167-F232 HydrophobicContact CG1-CE2 4.41Å; I167-F232 HydrophobicContact CG1-CG 4.44Å; I167-F232 HydrophobicContact CG1-CZ 3.9Å; I167-F232 HydrophobicContact CG2-CE2 4.3Å; I167-F232 HydrophobicContact CG2-CZ 3.98Å |
| 168 | I | 91.9 | Very high | 89.2 | Confident | 49 Ų | 49 | 32.5 Ų | 32.5 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 115.4 | 174.7 | -63 | 168.6 | 0 | 0 | 0 | 108.5 | V92 L155 F156 N197 | V92-I168 HydrophobicContact CG2-CG1 4.35Å; L155-I168 HydrophobicContact CB-CD1 4.05Å; F156-I168 HydrophobicContact CD1-CD1 3.92Å; F156-I168 HydrophobicContact CD2-CD1 3.68Å; F156-I168 HydrophobicContact CE1-CD1 3.71Å; F156-I168 HydrophobicContact CE2-CD1 3.46Å; F156-I168 VanDerWaalsContact CE2-CD1 3.46Å; F156-I168 HydrophobicContact CG-CD1 3.9Å; F156-I168 HydrophobicContact CZ-CD1 3.47Å; F156-I168 VanDerWaalsContact CZ-CD1 3.47Å; I168-N197 PolarHBondContact O-ND2 3.11Å |
| 169 | Q | 94 | Very high | 90.9 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | trans | -153.9 | 119.5 | -171.9 | -176.3 | 168.4 | 6.5 | 0 | 0 | 109.4 | Y91 R93 I167 T173 N197 | Y91-Q169 CarbonylContact C-O 3.53Å; Y91-Q169 WeakPolarHBondContact CB-O 3.46Å; Y91-Q169 PolarHBondContact O-N 2.92Å; Y91-Q169 VanDerWaalsContact O-N 3.15Å; R93-Q169 HydrophobicContact CB-CB 4.47Å; I167-Q169 HydrophobicContact CG2-CB 4.46Å; I167-Q169 PolarHBondContact O-N 3.43Å; I167-Q169 VanDerWaalsContact O-N 3.1Å; Q169-T173 WeakPolarHBondContact CG-OG1 3.33Å; Q169-T173 PolarHBondContact NE2-OG1 2.95Å; Q169-N197 HydrophobicContact CG-CB 4.43Å; Q169-N197 PolarHBondContact NE2-O 3.02Å | ||
| 170 | D | 95.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 28.7 Ų | 28.7 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | trans | -63 | 142.1 | 176.6 | -177.4 | 67.1 | 0 | 0 | 0 | 110.7 | Y91 S172 T173 N373 | Y91-D170 WeakPolarHBondContact CD2-OD1 3.39Å; D170-S172 PolarHBondContact O-N 3.22Å; D170-S172 VanDerWaalsContact OD2-CB 3.31Å; D170-S172 WeakPolarHBondContact OD2-CB 3.47Å; D170-S172 PolarHBondContact OD2-N 3.01Å; D170-S172 VanDerWaalsContact OD2-N 3.07Å; D170-S172 PolarHBondContact OD2-OG 2.99Å; D170-T173 HydrophobicContact CB-CG2 4.26Å; D170-T173 WeakPolarHBondContact O-CB 3.19Å; D170-T173 PolarHBondContact O-N 3.48Å; D170-T173 PolarHBondContact O-OG1 3.33Å; D170-N373 PolarHBondContact OD1-N 3.32Å; D170-N373 PolarHBondContact OD2-N 2.88Å | ||
| 171 | K | 96.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -52.9 | -41.6 | -179.5 | 177.3 | 175.4 | -175 | 160.8 | 0 | 113 | Y91 D140 H142 V143 L146 T173 C174 T372 | Y91-K171 HydrophobicContact CD1-CB 3.97Å; Y91-K171 HydrophobicContact CD2-CB 3.91Å; Y91-K171 HydrophobicContact CE1-CB 3.94Å; Y91-K171 HydrophobicContact CE1-CD 4.05Å; Y91-K171 HydrophobicContact CE2-CB 3.88Å; Y91-K171 HydrophobicContact CG-CB 3.95Å; D140-K171 WeakPolarHBondContact OD1-CD 3.45Å; D140-K171 WeakPolarHBondContact OD1-CE 3.4Å; D140-K171 IonicContact OD1-NZ 3.74Å; D140-K171 PolarHBondContact OD1-NZ 3.45Å; D140-K171 WeakPolarHBondContact OD2-CE 3.42Å; D140-K171 IonicContact OD2-NZ 2.87Å; D140-K171 PolarHBondContact OD2-NZ 3.45Å; H142-K171 VanDerWaalsContact ND1-CE 3.26Å; H142-K171 WeakPolarHBondContact ND1-CE 3.46Å; H142-K171 PolarHBondContact ND1-NZ 3.25Å; V143-K171 HydrophobicContact CG2-CG 4.2Å; L146-K171 HydrophobicContact CD2-CB 3.72Å; L146-K171 HydrophobicContact CD2-CD 4.45Å; L146-K171 HydrophobicContact CD2-CG 3.83Å; K171-T173 PolarHBondContact O-N 3.3Å; K171-C174 WeakPolarHBondContact O-CB 3.24Å; K171-C174 PolarHBondContact O-N 3.44Å; K171-T372 HydrophobicContact CB-CG2 3.77Å; K171-T372 HydrophobicContact CD-CG2 3.95Å; K171-T372 HydrophobicContact CG-CG2 4.06Å |
| 172 | S | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -62.5 | -29.5 | -178.6 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | D170 C174 L175 P176 F375 | D170-S172 PolarHBondContact O-N 3.22Å; D170-S172 VanDerWaalsContact OD2-CB 3.31Å; D170-S172 WeakPolarHBondContact OD2-CB 3.47Å; D170-S172 PolarHBondContact OD2-N 3.01Å; D170-S172 VanDerWaalsContact OD2-N 3.07Å; D170-S172 PolarHBondContact OD2-OG 2.99Å; S172-C174 VanDerWaalsContact C-N 3.26Å; S172-C174 PolarHBondContact O-N 2.85Å; S172-L175 PolarHBondContact O-N 2.76Å; S172-P176 VanDerWaalsContact O-CD 3.28Å; S172-P176 WeakPolarHBondContact O-CD 3.47Å; S172-F375 VanDerWaalsContact CB-CB 3.47Å; S172-F375 WeakPolarHBondContact O-CD1 3.25Å |
| 173 | T | 97.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -75.5 | -10.7 | 177.1 | 71.8 | 0 | 0 | 0 | 0 | 114.3 | Q169 D170 K171 F375 | Q169-T173 WeakPolarHBondContact CG-OG1 3.33Å; Q169-T173 PolarHBondContact NE2-OG1 2.95Å; D170-T173 HydrophobicContact CB-CG2 4.26Å; D170-T173 WeakPolarHBondContact O-CB 3.19Å; D170-T173 PolarHBondContact O-N 3.48Å; D170-T173 PolarHBondContact O-OG1 3.33Å; K171-T173 PolarHBondContact O-N 3.3Å; T173-F375 HydrophobicContact CG2-CE2 4.18Å |
| 174 | C | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -29.8 | 173.2 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | V143 K171 S172 V177 M178 Y201 | V143-C174 HydrophobicContact CG1-CB 3.92Å; V143-C174 HydrophobicContact CG2-CB 4.21Å; K171-C174 WeakPolarHBondContact O-CB 3.24Å; K171-C174 PolarHBondContact O-N 3.44Å; S172-C174 VanDerWaalsContact C-N 3.26Å; S172-C174 PolarHBondContact O-N 2.85Å; C174-V177 PolarHBondContact O-N 3.04Å; C174-V177 VanDerWaalsContact O-N 3.16Å; C174-M178 WeakPolarHBondContact O-CG 3.33Å; C174-M178 PolarHBondContact O-N 2.81Å; C174-Y201 HydrophobicContact CB-CD1 4.2Å; C174-Y201 HydrophobicContact CB-CE1 3.76Å |
| 175 | L | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | -175.3 | -55.2 | -177.3 | 0 | 0 | 0 | 115 | V143 S172 V177 M178 A179 L345 W348 I363 C365 V377 | V143-L175 HydrophobicContact CG2-CD2 4.44Å; S172-L175 PolarHBondContact O-N 2.76Å; L175-V177 VanDerWaalsContact C-N 3.26Å; L175-V177 PolarHBondContact O-N 3.04Å; L175-M178 HydrophobicContact CD2-SD 4.14Å; L175-M178 PolarHBondContact O-N 3.49Å; L175-A179 WeakPolarHBondContact O-CB 3.39Å; L175-A179 PolarHBondContact O-N 3.37Å; L175-L345 HydrophobicContact CB-CD1 3.99Å; L175-L345 HydrophobicContact CD2-CD1 4.09Å; L175-W348 HydrophobicContact CD1-CD2 4.32Å; L175-W348 HydrophobicContact CD1-CE3 4.3Å; L175-W348 HydrophobicContact CD1-CH2 4.04Å; L175-W348 HydrophobicContact CD1-CZ2 4.08Å; L175-W348 HydrophobicContact CD1-CZ3 4.13Å; L175-W348 HydrophobicContact CD2-CZ3 4.35Å; L175-I363 HydrophobicContact CB-CD1 4.24Å; L175-I363 HydrophobicContact CD1-CD1 3.79Å; L175-C365 WeakPolarHBondContact CD1-SG 3.14Å; L175-V377 HydrophobicContact CB-CG2 4.32Å |
| 176 | P | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.8 | -28.6 | 177.8 | 29.8 | -38.7 | 0 | 0 | 0 | 112.5 | S172 A179 L180 K198 L261 V313 F375 V377 | S172-P176 VanDerWaalsContact O-CD 3.28Å; S172-P176 WeakPolarHBondContact O-CD 3.47Å; P176-A179 PolarHBondContact O-N 3.34Å; P176-L180 PolarHBondContact O-N 2.82Å; P176-K198 HydrophobicContact CG-CD 4.04Å; P176-L261 HydrophobicContact CB-CD1 3.88Å; P176-V313 HydrophobicContact CB-CG1 3.84Å; P176-V313 WeakPolarHBondContact O-CG1 3.49Å; P176-F375 HydrophobicContact CB-CE1 4.48Å; P176-F375 HydrophobicContact CG-CE1 3.75Å; P176-F375 HydrophobicContact CG-CZ 4.23Å; P176-V377 HydrophobicContact CB-CG1 4.08Å; P176-V377 HydrophobicContact CB-CG2 4.11Å |
| 177 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.3 | -40.3 | 175 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | C174 L175 A179 L180 K198 Y201 M202 L205 L261 | C174-V177 PolarHBondContact O-N 3.04Å; C174-V177 VanDerWaalsContact O-N 3.16Å; L175-V177 VanDerWaalsContact C-N 3.26Å; L175-V177 PolarHBondContact O-N 3.04Å; V177-A179 VanDerWaalsContact C-N 3.26Å; V177-A179 PolarHBondContact O-N 3.03Å; V177-L180 WeakPolarHBondContact O-CB 3.35Å; V177-L180 PolarHBondContact O-N 3.03Å; V177-K198 HydrophobicContact CG2-CB 3.65Å; V177-K198 HydrophobicContact CG2-CD 4.39Å; V177-K198 HydrophobicContact CG2-CG 4.02Å; V177-Y201 HydrophobicContact CB-CD1 3.53Å; V177-Y201 HydrophobicContact CB-CE1 4.01Å; V177-Y201 HydrophobicContact CB-CG 4.35Å; V177-Y201 HydrophobicContact CG1-CD1 3.44Å; V177-Y201 VanDerWaalsContact CG1-CD1 3.44Å; V177-Y201 HydrophobicContact CG1-CE1 3.97Å; V177-Y201 HydrophobicContact CG1-CG 3.83Å; V177-Y201 HydrophobicContact CG2-CD1 4.06Å; V177-M202 HydrophobicContact CG1-CG 3.68Å; V177-M202 HydrophobicContact CG2-CG 4.22Å; V177-L205 HydrophobicContact CG1-CD1 3.77Å; V177-L261 HydrophobicContact CG2-CD2 4.12Å |
| 178 | M | 98.5 | Very high | 97.6 | Very high | 49 Ų | 49 | 26 Ų | 26 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -37.6 | 172.8 | -66.2 | 171 | 67.6 | 0 | 0 | 111.8 | H142 V143 C174 L175 L180 E181 Y201 L345 | H142-M178 WeakPolarHBondContact O-CE 3.33Å; V143-M178 HydrophobicContact CB-SD 4.29Å; V143-M178 HydrophobicContact CG1-SD 4.05Å; V143-M178 HydrophobicContact CG2-SD 3.71Å; C174-M178 WeakPolarHBondContact O-CG 3.33Å; C174-M178 PolarHBondContact O-N 2.81Å; L175-M178 HydrophobicContact CD2-SD 4.14Å; L175-M178 PolarHBondContact O-N 3.49Å; M178-L180 PolarHBondContact O-N 2.91Å; M178-E181 PolarHBondContact O-N 2.94Å; M178-E181 VanDerWaalsContact O-N 3.1Å; M178-Y201 HydrophobicContact CG-CE1 4.11Å; M178-L345 HydrophobicContact CB-CD2 4.42Å |
| 179 | A | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 5% | 0.05 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -11.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L175 P176 V177 E181 V313 V344 V377 V379 | L175-A179 WeakPolarHBondContact O-CB 3.39Å; L175-A179 PolarHBondContact O-N 3.37Å; P176-A179 PolarHBondContact O-N 3.34Å; V177-A179 VanDerWaalsContact C-N 3.26Å; V177-A179 PolarHBondContact O-N 3.03Å; A179-E181 VanDerWaalsContact C-N 3.32Å; A179-V313 HydrophobicContact CB-CG1 4.12Å; A179-V313 HydrophobicContact CB-CG2 4.13Å; A179-V344 HydrophobicContact CB-CG2 3.44Å; A179-V344 VanDerWaalsContact CB-CG2 3.44Å; A179-V377 HydrophobicContact CB-CG1 4.11Å; A179-V379 HydrophobicContact CB-CG2 3.88Å |
| 180 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -23.6 | 171.8 | -70.6 | 160.1 | 0 | 0 | 0 | 112.2 | P176 V177 M178 L182 M202 H259 L261 R311 V313 | P176-L180 PolarHBondContact O-N 2.82Å; V177-L180 WeakPolarHBondContact O-CB 3.35Å; V177-L180 PolarHBondContact O-N 3.03Å; M178-L180 PolarHBondContact O-N 2.91Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 HydrophobicContact CB-CD1 4.3Å; L180-L182 HydrophobicContact CB-CD2 3.7Å; L180-L182 HydrophobicContact CB-CG 3.62Å; L180-L182 HydrophobicContact CD1-CD1 3.98Å; L180-L182 HydrophobicContact CD1-CD2 4.41Å; L180-L182 HydrophobicContact CD1-CG 4.23Å; L180-L182 HydrophobicContact CG-CD2 4.5Å; L180-L182 PolarHBondContact O-N 2.93Å; L180-M202 HydrophobicContact CD1-CG 3.95Å; L180-M202 HydrophobicContact CD1-SD 3.4Å; L180-M202 WeakPolarHBondContact CD1-SD 3.48Å; L180-H259 HydrophobicContact CD2-CB 4.33Å; L180-H259 PolarHBondContact O-CD2 2.91Å; L180-L261 HydrophobicContact CD1-CB 4.04Å; L180-L261 HydrophobicContact CD1-CD1 4.44Å; L180-L261 HydrophobicContact CD1-CD2 4.47Å; L180-L261 HydrophobicContact CD2-CB 4.39Å; L180-R311 WeakPolarHBondContact O-CD 3.14Å; L180-R311 PolarHBondContact O-NH1 3.39Å; L180-V313 HydrophobicContact CB-CG2 4.36Å; L180-V313 HydrophobicContact CD2-CB 4.03Å; L180-V313 HydrophobicContact CD2-CG2 3.5Å; L180-V313 HydrophobicContact CG-CB 4.3Å; L180-V313 HydrophobicContact CG-CG2 3.69Å |
| 181 | E | 98 | Very high | 98.4 | Very high | 119 Ų | 119 | 22.4 Ų | 22.4 | 56% | 0.556 | 14% | 0.137 | S | C | * | . | trans | 51.9 | 48 | -175.1 | -43.3 | 179.5 | 157.1 | 0 | 0 | 112.9 | M178 A179 R311 | M178-E181 PolarHBondContact O-N 2.94Å; M178-E181 VanDerWaalsContact O-N 3.1Å; A179-E181 VanDerWaalsContact C-N 3.32Å; E181-R311 VanDerWaalsContact CB-NH1 3.35Å; E181-R311 IonicContact OE2-CZ 3.14Å; E181-R311 IonicContact OE2-NH1 3.03Å; E181-R311 PolarHBondContact OE2-NH1 3.27Å; E181-R311 IonicContact OE2-NH2 3.75Å; E181-R311 PolarHBondContact OE2-NH2 2.75Å | ||
| 182 | L | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | trans | -67.7 | 145.7 | -175.2 | -60.8 | 180 | 0 | 0 | 0 | 113 | L180 M186 V188 M202 L205 M206 H259 | L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 HydrophobicContact CB-CD1 4.3Å; L180-L182 HydrophobicContact CB-CD2 3.7Å; L180-L182 HydrophobicContact CB-CG 3.62Å; L180-L182 HydrophobicContact CD1-CD1 3.98Å; L180-L182 HydrophobicContact CD1-CD2 4.41Å; L180-L182 HydrophobicContact CD1-CG 4.23Å; L180-L182 HydrophobicContact CG-CD2 4.5Å; L180-L182 PolarHBondContact O-N 2.93Å; L182-M186 HydrophobicContact CD2-SD 4.23Å; L182-V188 HydrophobicContact CD1-CG1 4.44Å; L182-V188 HydrophobicContact CD1-CG2 4.19Å; L182-V188 HydrophobicContact CD2-CG1 4.19Å; L182-V188 HydrophobicContact CD2-CG2 3.51Å; L182-V188 HydrophobicContact CG-CG2 4.45Å; L182-M202 HydrophobicContact CD1-CB 3.61Å; L182-M202 HydrophobicContact CD1-CG 3.61Å; L182-M202 HydrophobicContact CD1-SD 4.05Å; L182-L205 HydrophobicContact CB-CB 4.32Å; L182-M206 HydrophobicContact CB-CG 3.97Å; L182-M206 HydrophobicContact CD1-CG 4.11Å; L182-M206 HydrophobicContact CD1-SD 4.02Å; L182-H259 HydrophobicContact CD2-CB 4.05Å | ||
| 183 | S | 98.4 | Very high | 98.6 | Very high | 60 Ų | 60 | 23.4 Ų | 23.4 | 42% | 0.42 | 15% | 0.145 | S | C | . | . | trans | -125.5 | 155.1 | 169.7 | -63.9 | 0 | 0 | 0 | 0 | 111 | M186 | S183-M186 PolarHBondContact N-SD 3.16Å; S183-M186 WeakPolarHBondContact O-CG 3.44Å; S183-M186 PolarHBondContact O-N 2.77Å | ||
| 184 | P | 98.7 | Very high | 98.6 | Very high | 55 Ų | 55 | 22.7 Ų | 22.7 | 36% | 0.357 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 141 | 170.2 | -30.8 | 38.1 | 0 | 0 | 0 | 113.2 | M186 K207 E209 | P184-M186 VanDerWaalsContact C-N 3.35Å; P184-K207 HydrophobicContact CG-CB 4.36Å; P184-K207 HydrophobicContact CG-CD 4.06Å; P184-K207 HydrophobicContact CG-CG 4.17Å; P184-E209 HydrophobicContact CB-CB 3.95Å |
| 185 | G | 98.3 | Very high | 98.5 | Very high | 53 Ų | 53 | 25.7 Ų | 25.7 | 55% | 0.546 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -9.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E209 | G185-E209 PolarHBondContact N-O 3.27Š|
| 186 | M | 98.6 | Very high | 98.5 | Very high | 48 Ų | 48 | 25.6 Ų | 25.6 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | trans | -68 | 159.3 | 176.4 | -70.6 | -179.7 | 167.9 | 0 | 0 | 112.4 | L182 S183 P184 V188 M206 G210 H211 | L182-M186 HydrophobicContact CD2-SD 4.23Å; S183-M186 PolarHBondContact N-SD 3.16Å; S183-M186 WeakPolarHBondContact O-CG 3.44Å; S183-M186 PolarHBondContact O-N 2.77Å; P184-M186 VanDerWaalsContact C-N 3.35Å; M186-V188 HydrophobicContact CB-CG2 4.21Å; M186-M206 HydrophobicContact CB-CE 4.29Å; M186-M206 WeakPolarHBondContact O-CE 3.42Å; M186-G210 WeakPolarHBondContact O-CA 3.37Å; M186-H211 PolarHBondContact O-N 3.1Å | ||
| 187 | T | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119.7 | 166.8 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | H211 D256 V257 T258 | T187-H211 CarbonylContact C-O 3.6Å; T187-H211 VanDerWaalsContact CA-O 3.23Å; T187-H211 WeakPolarHBondContact CA-O 3.17Å; T187-H211 HydrophobicContact CG2-CB 4.2Å; T187-D256 WeakPolarHBondContact CB-O 3.37Å; T187-D256 HydrophobicContact CG2-CB 4.46Å; T187-V257 HydrophobicContact CG2-CG2 3.94Å; T187-T258 PolarHBondContact O-N 3.01Å; T187-T258 VanDerWaalsContact O-N 3.1Å; T187-T258 PolarHBondContact O-OG1 3.01Å |
| 188 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.2 | -170 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | L182 M186 M202 M206 H211 I212 I213 H259 | L182-V188 HydrophobicContact CD1-CG1 4.44Å; L182-V188 HydrophobicContact CD1-CG2 4.19Å; L182-V188 HydrophobicContact CD2-CG1 4.19Å; L182-V188 HydrophobicContact CD2-CG2 3.51Å; L182-V188 HydrophobicContact CG-CG2 4.45Å; M186-V188 HydrophobicContact CB-CG2 4.21Å; V188-M202 HydrophobicContact CG1-CE 4.41Å; V188-M202 HydrophobicContact CG1-SD 3.7Å; V188-M206 HydrophobicContact CB-SD 4.41Å; V188-M206 HydrophobicContact CG2-CE 4.06Å; V188-M206 HydrophobicContact CG2-SD 3.59Å; V188-M206 VanDerWaalsContact CG2-SD 3.59Å; V188-H211 PolarHBondContact N-O 3.1Å; V188-I212 CarbonylContact O-C 3.57Å; V188-I212 VanDerWaalsContact O-CA 3.29Å; V188-I212 WeakPolarHBondContact O-CA 3.09Å; V188-I213 PolarHBondContact O-N 3.22Å; V188-H259 CarbonylContact C-O 3.42Å; V188-H259 VanDerWaalsContact CA-O 3.3Å; V188-H259 WeakPolarHBondContact CA-O 3.35Å; V188-H259 HydrophobicContact CB-CB 4.41Å; V188-H259 HydrophobicContact CG1-CB 3.96Å; V188-H259 HydrophobicContact CG2-CB 4.13Å |
| 189 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.8 | 174.6 | 178.7 | 159.3 | 0 | 0 | 0 | 110.8 | A191 I213 V215 F244 L247 F254 V257 H259 I260 L261 F306 | L189-A191 HydrophobicContact CD2-CB 4.02Å; L189-I213 CarbonylContact C-O 3.59Å; L189-I213 WeakPolarHBondContact CA-O 3.28Å; L189-I213 HydrophobicContact CB-CB 4.37Å; L189-I213 HydrophobicContact CD1-CG2 4.41Å; L189-I213 HydrophobicContact CG-CB 4.34Å; L189-I213 HydrophobicContact CG-CG2 4.49Å; L189-V215 HydrophobicContact CD1-CG2 4.48Å; L189-V215 HydrophobicContact CD2-CG2 4.37Å; L189-V215 HydrophobicContact CG-CG2 4.29Å; L189-F244 HydrophobicContact CD2-CD2 4.01Å; L189-F244 HydrophobicContact CD2-CE2 3.55Å; L189-F244 HydrophobicContact CD2-CZ 4.49Å; L189-L247 HydrophobicContact CD1-CD1 4.21Å; L189-F254 HydrophobicContact CD1-CD1 4.09Å; L189-F254 HydrophobicContact CD1-CE1 4.25Å; L189-V257 HydrophobicContact CB-CG1 3.9Å; L189-V257 HydrophobicContact CB-CG2 4.37Å; L189-H259 PolarHBondContact N-O 2.75Å; L189-I260 HydrophobicContact CB-CG1 4.11Å; L189-I260 HydrophobicContact CD2-CG1 4.34Å; L189-I260 HydrophobicContact CD2-CG2 4.14Å; L189-I260 WeakPolarHBondContact O-CA 3.46Å; L189-L261 PolarHBondContact O-N 3.4Å; L189-F306 HydrophobicContact CD1-CE1 3.87Å; L189-F306 HydrophobicContact CD1-CZ 3.97Å |
| 190 | D | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 106.6 | 169.8 | -163.8 | -23.2 | 0 | 0 | 0 | 108.6 | C192 A193 T199 M202 I213 V215 | D190-C192 VanDerWaalsContact C-N 3.28Å; D190-C192 PolarHBondContact O-N 3.26Å; D190-A193 HydrophobicContact CB-CB 3.96Å; D190-T199 WeakPolarHBondContact OD2-CB 3.13Å; D190-T199 PolarHBondContact OD2-N 3.35Å; D190-T199 PolarHBondContact OD2-OG1 3.02Å; D190-M202 HydrophobicContact CB-CE 3.6Å; D190-I213 PolarHBondContact N-O 2.94Å; D190-V215 PolarHBondContact O-N 2.82Å |
| 191 | A | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L189 F244 L261 L262 | L189-A191 HydrophobicContact CD2-CB 4.02Å; A191-F244 HydrophobicContact CB-CB 4.45Å; A191-F244 HydrophobicContact CB-CD1 3.91Å; A191-F244 HydrophobicContact CB-CD2 3.63Å; A191-F244 HydrophobicContact CB-CE1 3.96Å; A191-F244 HydrophobicContact CB-CE2 3.74Å; A191-F244 HydrophobicContact CB-CG 3.72Å; A191-F244 HydrophobicContact CB-CZ 3.89Å; A191-L261 WeakPolarHBondContact CB-O 3.29Å; A191-L261 PolarHBondContact N-O 2.79Å; A191-L262 HydrophobicContact CB-CD1 3.8Å |
| 192 | C | 98.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 20.3 Ų | 20.3 | 16% | 0.162 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | 67.8 | -175.4 | -74.2 | 0 | 0 | 0 | 0 | 110.3 | D190 A194 V215 D263 M299 | D190-C192 VanDerWaalsContact C-N 3.28Å; D190-C192 PolarHBondContact O-N 3.26Å; C192-A194 PolarHBondContact O-N 2.92Å; C192-V215 CarbonylContact C-O 3.58Å; C192-V215 WeakPolarHBondContact CA-O 3.38Å; C192-D263 WeakPolarHBondContact CB-O 3.45Å; C192-M299 VanDerWaalsContact SG-CE 3.53Å |
| 193 | A | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | trans | -75.5 | -30 | -158.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D190 G196 A214 V215 L225 | D190-A193 HydrophobicContact CB-CB 3.96Å; A193-G196 WeakPolarHBondContact O-CA 3.37Å; A193-G196 PolarHBondContact O-N 2.89Å; A193-A214 HydrophobicContact CB-CB 3.62Å; A193-V215 PolarHBondContact N-O 3.24Å; A193-L225 HydrophobicContact CB-CD1 4.2Å; A193-L225 HydrophobicContact CB-CD2 3.54Å | ||
| 194 | A | 98 | Very high | 98.5 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 7% | 0.074 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 135.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C192 E216 R221 L225 | C192-A194 PolarHBondContact O-N 2.92Å; A194-E216 HydrophobicContact CB-CB 4.35Å; A194-E216 HydrophobicContact CB-CG 3.83Å; A194-E216 WeakPolarHBondContact CB-OE2 3.49Å; A194-R221 HydrophobicContact CB-CB 3.8Å; A194-R221 PolarHBondContact O-NH2 2.83Å; A194-L225 HydrophobicContact CB-CB 4.16Å |
| 195 | P | 96.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 17.5 Ų | 17.5 | 42% | 0.416 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -97.1 | 14.3 | 15 | 38.7 | -37.9 | 0 | 0 | 0 | 115 | V224 R228 | P195-V224 HydrophobicContact CB-CG1 4.37Å; P195-R228 WeakPolarHBondContact O-CD 3.35Å; P195-R228 PolarHBondContact O-NE 3.2Å |
| 196 | G | 97.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | 96.9 | 8.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A193 S200 | A193-G196 WeakPolarHBondContact O-CA 3.37Å; A193-G196 PolarHBondContact O-N 2.89Å; G196-S200 VanDerWaalsContact O-CB 3.27Å; G196-S200 WeakPolarHBondContact O-CB 3.04Å; G196-S200 PolarHBondContact O-N 2.89Å; G196-S200 PolarHBondContact O-OG 3.3Å | ||
| 197 | N | 97.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 19.5 Ų | 19.5 | 13% | 0.128 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.5 | -77.1 | 50 | 0 | 0 | 0 | 112.2 | I168 Q169 S200 Y201 R228 | I168-N197 PolarHBondContact O-ND2 3.11Å; Q169-N197 HydrophobicContact CG-CB 4.43Å; Q169-N197 PolarHBondContact NE2-O 3.02Å; N197-S200 PolarHBondContact O-OG 2.94Å; N197-S200 VanDerWaalsContact O-OG 3.12Å; N197-Y201 PolarHBondContact O-N 3.22Å; N197-R228 PolarHBondContact OD1-NH2 2.77Å |
| 198 | K | 98.7 | Very high | 98.5 | Very high | 26 Ų | 26 | 20 Ų | 20 | 11% | 0.113 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -75 | -45.2 | 178.7 | -61.8 | -169.7 | -173.4 | 71.5 | 0 | 110.7 | P176 V177 S200 Y201 M202 L261 D263 | P176-K198 HydrophobicContact CG-CD 4.04Å; V177-K198 HydrophobicContact CG2-CB 3.65Å; V177-K198 HydrophobicContact CG2-CD 4.39Å; V177-K198 HydrophobicContact CG2-CG 4.02Å; K198-S200 PolarHBondContact O-N 3.19Å; K198-Y201 CarbonylContact O-C 3.46Å; K198-Y201 WeakPolarHBondContact O-CA 3.49Å; K198-Y201 WeakPolarHBondContact O-CB 3.48Å; K198-Y201 PolarHBondContact O-N 3.44Å; K198-M202 WeakPolarHBondContact O-CG 3.26Å; K198-M202 PolarHBondContact O-N 2.66Å; K198-L261 HydrophobicContact CB-CD2 3.69Å; K198-L261 HydrophobicContact CD-CD2 3.81Å; K198-L261 HydrophobicContact CG-CD2 4.38Å; K198-D263 HydrophobicContact CD-CB 4.27Å; K198-D263 WeakPolarHBondContact CE-OD2 3.15Å; K198-D263 VanDerWaalsContact NZ-CG 3.26Å; K198-D263 IonicContact NZ-OD1 3.39Å; K198-D263 IonicContact NZ-OD2 2.63Å; K198-D263 PolarHBondContact NZ-OD2 3.28Å |
| 199 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.5 | -48.4 | 174.8 | -33.1 | 0 | 0 | 0 | 0 | 112.9 | D190 Y201 M202 A203 I212 A214 L229 | D190-T199 WeakPolarHBondContact OD2-CB 3.13Å; D190-T199 PolarHBondContact OD2-N 3.35Å; D190-T199 PolarHBondContact OD2-OG1 3.02Å; T199-Y201 VanDerWaalsContact C-N 3.29Å; T199-Y201 PolarHBondContact O-N 3.32Å; T199-M202 HydrophobicContact CG2-CE 4.47Å; T199-M202 WeakPolarHBondContact O-CB 3.27Å; T199-M202 PolarHBondContact O-N 2.99Å; T199-A203 PolarHBondContact O-N 2.9Å; T199-I212 HydrophobicContact CG2-CG2 3.83Å; T199-A214 HydrophobicContact CG2-CB 3.83Å; T199-L229 HydrophobicContact CG2-CD1 4.28Å; T199-L229 HydrophobicContact CG2-CD2 4.01Å |
| 200 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.3 | -29.2 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | R93 G196 N197 K198 T204 | R93-S200 PolarHBondContact NH2-OG 3.17Å; G196-S200 VanDerWaalsContact O-CB 3.27Å; G196-S200 WeakPolarHBondContact O-CB 3.04Å; G196-S200 PolarHBondContact O-N 2.89Å; G196-S200 PolarHBondContact O-OG 3.3Å; N197-S200 PolarHBondContact O-OG 2.94Å; N197-S200 VanDerWaalsContact O-OG 3.12Å; K198-S200 PolarHBondContact O-N 3.19Å; S200-T204 PolarHBondContact O-N 3.16Å; S200-T204 PolarHBondContact O-OG1 3.39Å |
| 201 | Y | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.6 | -38 | 174.7 | -170.7 | -151.8 | 0 | 0 | 0 | 111.4 | V143 C174 V177 M178 N197 K198 T199 A203 T204 L205 | V143-Y201 WeakPolarHBondContact CG1-OH 3.21Å; C174-Y201 HydrophobicContact CB-CD1 4.2Å; C174-Y201 HydrophobicContact CB-CE1 3.76Å; V177-Y201 HydrophobicContact CB-CD1 3.53Å; V177-Y201 HydrophobicContact CB-CE1 4.01Å; V177-Y201 HydrophobicContact CB-CG 4.35Å; V177-Y201 HydrophobicContact CG1-CD1 3.44Å; V177-Y201 VanDerWaalsContact CG1-CD1 3.44Å; V177-Y201 HydrophobicContact CG1-CE1 3.97Å; V177-Y201 HydrophobicContact CG1-CG 3.83Å; V177-Y201 HydrophobicContact CG2-CD1 4.06Å; M178-Y201 HydrophobicContact CG-CE1 4.11Å; N197-Y201 PolarHBondContact O-N 3.22Å; K198-Y201 CarbonylContact O-C 3.46Å; K198-Y201 WeakPolarHBondContact O-CA 3.49Å; K198-Y201 WeakPolarHBondContact O-CB 3.48Å; K198-Y201 PolarHBondContact O-N 3.44Å; T199-Y201 VanDerWaalsContact C-N 3.29Å; T199-Y201 PolarHBondContact O-N 3.32Å; Y201-A203 VanDerWaalsContact C-N 3.34Å; Y201-A203 PolarHBondContact O-N 2.99Å; Y201-T204 WeakPolarHBondContact O-CA 3.49Å; Y201-T204 VanDerWaalsContact O-CB 3.28Å; Y201-T204 WeakPolarHBondContact O-CB 3.29Å; Y201-T204 PolarHBondContact O-N 3.45Å; Y201-T204 VanDerWaalsContact O-N 3.09Å; Y201-L205 HydrophobicContact CD2-CD2 4.47Å; Y201-L205 HydrophobicContact CD2-CG 4.3Å; Y201-L205 HydrophobicContact CE2-CD2 3.77Å; Y201-L205 HydrophobicContact CE2-CG 4.03Å; Y201-L205 PolarHBondContact O-N 3.5Å |
| 202 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 170.2 | -66.6 | -167.8 | -62.8 | 0 | 0 | 111.3 | V177 L180 L182 V188 D190 K198 T199 T204 L205 M206 I212 L261 | V177-M202 HydrophobicContact CG1-CG 3.68Å; V177-M202 HydrophobicContact CG2-CG 4.22Å; L180-M202 HydrophobicContact CD1-CG 3.95Å; L180-M202 HydrophobicContact CD1-SD 3.4Å; L180-M202 WeakPolarHBondContact CD1-SD 3.48Å; L182-M202 HydrophobicContact CD1-CB 3.61Å; L182-M202 HydrophobicContact CD1-CG 3.61Å; L182-M202 HydrophobicContact CD1-SD 4.05Å; V188-M202 HydrophobicContact CG1-CE 4.41Å; V188-M202 HydrophobicContact CG1-SD 3.7Å; D190-M202 HydrophobicContact CB-CE 3.6Å; K198-M202 WeakPolarHBondContact O-CG 3.26Å; K198-M202 PolarHBondContact O-N 2.66Å; T199-M202 HydrophobicContact CG2-CE 4.47Å; T199-M202 WeakPolarHBondContact O-CB 3.27Å; T199-M202 PolarHBondContact O-N 2.99Å; M202-T204 PolarHBondContact O-N 3.06Å; M202-L205 PolarHBondContact O-N 2.71Å; M202-M206 WeakPolarHBondContact O-CB 3.32Å; M202-M206 WeakPolarHBondContact O-CG 3.2Å; M202-M206 PolarHBondContact O-N 2.84Å; M202-I212 HydrophobicContact CB-CD1 3.92Å; M202-I212 HydrophobicContact CE-CG2 4.15Å; M202-L261 HydrophobicContact CE-CD2 4.24Å; M202-L261 HydrophobicContact SD-CB 4.15Å; M202-L261 HydrophobicContact SD-CD2 4Å |
| 203 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.2 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L97 T199 Y201 M206 K207 N208 I212 V234 | L97-A203 HydrophobicContact CD1-CB 4.01Å; T199-A203 PolarHBondContact O-N 2.9Å; Y201-A203 VanDerWaalsContact C-N 3.34Å; Y201-A203 PolarHBondContact O-N 2.99Å; A203-M206 CarbonylContact O-C 3.58Å; A203-K207 PolarHBondContact O-N 3.32Å; A203-N208 PolarHBondContact O-N 3.43Å; A203-I212 HydrophobicContact CB-CD1 3.8Å; A203-V234 HydrophobicContact CB-CB 4.32Å; A203-V234 HydrophobicContact CB-CG1 3.69Å; A203-V234 HydrophobicContact CB-CG2 3.85Å |
| 204 | T | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -50.5 | 174.8 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | R93 S96 S200 Y201 M202 M206 K207 | R93-T204 PolarHBondContact NH1-OG1 2.63Å; S96-T204 WeakPolarHBondContact OG-CG2 3.48Å; S200-T204 PolarHBondContact O-N 3.16Å; S200-T204 PolarHBondContact O-OG1 3.39Å; Y201-T204 WeakPolarHBondContact O-CA 3.49Å; Y201-T204 VanDerWaalsContact O-CB 3.28Å; Y201-T204 WeakPolarHBondContact O-CB 3.29Å; Y201-T204 PolarHBondContact O-N 3.45Å; Y201-T204 VanDerWaalsContact O-N 3.09Å; M202-T204 PolarHBondContact O-N 3.06Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 2.71Å; T204-K207 PolarHBondContact O-N 2.62Å |
| 205 | L | 98.5 | Very high | 98.5 | Very high | 55 Ų | 55 | 28.3 Ų | 28.3 | 29% | 0.288 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.9 | -36 | 179.1 | -63.3 | -174.1 | 0 | 0 | 0 | 112.4 | V177 L182 Y201 M202 K207 | V177-L205 HydrophobicContact CG1-CD1 3.77Å; L182-L205 HydrophobicContact CB-CB 4.32Å; Y201-L205 HydrophobicContact CD2-CD2 4.47Å; Y201-L205 HydrophobicContact CD2-CG 4.3Å; Y201-L205 HydrophobicContact CE2-CD2 3.77Å; Y201-L205 HydrophobicContact CE2-CG 4.03Å; Y201-L205 PolarHBondContact O-N 3.5Å; M202-L205 PolarHBondContact O-N 2.71Å; L205-K207 PolarHBondContact O-N 3.05Å |
| 206 | M | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1 | 175.7 | -65.4 | 172.7 | 64.5 | 0 | 0 | 113.4 | L182 M186 V188 M202 A203 T204 N208 E209 I212 | L182-M206 HydrophobicContact CB-CG 3.97Å; L182-M206 HydrophobicContact CD1-CG 4.11Å; L182-M206 HydrophobicContact CD1-SD 4.02Å; M186-M206 HydrophobicContact CB-CE 4.29Å; M186-M206 WeakPolarHBondContact O-CE 3.42Å; V188-M206 HydrophobicContact CB-SD 4.41Å; V188-M206 HydrophobicContact CG2-CE 4.06Å; V188-M206 HydrophobicContact CG2-SD 3.59Å; V188-M206 VanDerWaalsContact CG2-SD 3.59Å; M202-M206 WeakPolarHBondContact O-CB 3.32Å; M202-M206 WeakPolarHBondContact O-CG 3.2Å; M202-M206 PolarHBondContact O-N 2.84Å; A203-M206 CarbonylContact O-C 3.58Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 2.71Å; M206-N208 PolarHBondContact O-N 3.02Å; M206-E209 WeakPolarHBondContact CE-O 3.23Å; M206-E209 WeakPolarHBondContact O-CB 3.36Å; M206-E209 PolarHBondContact O-N 2.08Å; M206-I212 HydrophobicContact CE-CG1 4.16Å; M206-I212 HydrophobicContact SD-CD1 3.91Å; M206-I212 HydrophobicContact SD-CG1 3.76Å |
| 207 | K | 98.3 | Very high | 98.6 | Very high | 144 Ų | 144 | 30.5 Ų | 30.5 | 63% | 0.626 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.9 | -178.6 | -55.6 | -179 | -178.1 | 177.1 | 0 | 114.1 | P184 A203 T204 L205 E209 | P184-K207 HydrophobicContact CG-CB 4.36Å; P184-K207 HydrophobicContact CG-CD 4.06Å; P184-K207 HydrophobicContact CG-CG 4.17Å; A203-K207 PolarHBondContact O-N 3.32Å; T204-K207 PolarHBondContact O-N 2.62Å; L205-K207 PolarHBondContact O-N 3.05Å; K207-E209 PolarHBondContact O-N 2.97Å |
| 208 | N | 98.6 | Very high | 98.6 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 19% | 0.193 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 20.9 | -172.3 | -88.1 | -37.4 | 0 | 0 | 0 | 114.5 | L97 A203 M206 G233 K235 C236 | L97-N208 HydrophobicContact CD2-CB 4.4Å; A203-N208 PolarHBondContact O-N 3.43Å; M206-N208 PolarHBondContact O-N 3.02Å; N208-G233 PolarHBondContact ND2-O 3.1Å; N208-K235 PolarHBondContact OD1-N 3.06Å; N208-C236 WeakPolarHBondContact O-CB 3.49Å |
| 209 | E | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 36.2 Ų | 36.2 | 53% | 0.533 | 19% | 0.185 | S | C | . | . | trans | -112.1 | 132.2 | 176.6 | -67.2 | 173.3 | -152.5 | 0 | 0 | 110.3 | P184 G185 M206 K207 | P184-E209 HydrophobicContact CB-CB 3.95Å; G185-E209 PolarHBondContact N-O 3.27Å; M206-E209 WeakPolarHBondContact CE-O 3.23Å; M206-E209 WeakPolarHBondContact O-CB 3.36Å; M206-E209 PolarHBondContact O-N 2.08Å; K207-E209 PolarHBondContact O-N 2.97Å | ||
| 210 | G | 98.2 | Very high | 98.5 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 104.2 | -156.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M186 C236 | M186-G210 WeakPolarHBondContact O-CA 3.37Å; G210-C236 WeakPolarHBondContact O-CB 3.31Å |
| 211 | H | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.7 | -175.2 | -165.9 | 61.9 | 0 | 0 | 0 | 112.1 | M186 T187 V188 C236 E238 | M186-H211 PolarHBondContact O-N 3.1Å; T187-H211 CarbonylContact C-O 3.6Å; T187-H211 VanDerWaalsContact CA-O 3.23Å; T187-H211 WeakPolarHBondContact CA-O 3.17Å; T187-H211 HydrophobicContact CG2-CB 4.2Å; V188-H211 PolarHBondContact N-O 3.1Å; H211-C236 CarbonylContact C-O 3.55Å; H211-E238 IonicContact CE1-OE2 2.75Å; H211-E238 IonicContact NE2-OE2 3.83Å; H211-E238 PolarHBondContact NE2-OE2 2.58Å |
| 212 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.3 | 173.8 | -60.8 | 172.7 | 0 | 0 | 0 | 108.2 | V188 T199 M202 A203 M206 C236 C237 E238 | V188-I212 CarbonylContact O-C 3.57Å; V188-I212 VanDerWaalsContact O-CA 3.29Å; V188-I212 WeakPolarHBondContact O-CA 3.09Å; T199-I212 HydrophobicContact CG2-CG2 3.83Å; M202-I212 HydrophobicContact CB-CD1 3.92Å; M202-I212 HydrophobicContact CE-CG2 4.15Å; A203-I212 HydrophobicContact CB-CD1 3.8Å; M206-I212 HydrophobicContact CE-CG1 4.16Å; M206-I212 HydrophobicContact SD-CD1 3.91Å; M206-I212 HydrophobicContact SD-CG1 3.76Å; I212-C236 PolarHBondContact N-O 2.83Å; I212-C237 HydrophobicContact CB-CB 4.13Å; I212-C237 CarbonylContact O-C 3.59Å; I212-C237 VanDerWaalsContact O-CA 3.29Å; I212-C237 WeakPolarHBondContact O-CA 3.49Å; I212-E238 PolarHBondContact O-N 3.26Å |
| 213 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 108 | 171.7 | -57 | 174.1 | 0 | 0 | 0 | 107.9 | V188 L189 D190 V215 L240 K253 F254 V257 | V188-I213 PolarHBondContact O-N 3.22Å; L189-I213 CarbonylContact C-O 3.59Å; L189-I213 WeakPolarHBondContact CA-O 3.28Å; L189-I213 HydrophobicContact CB-CB 4.37Å; L189-I213 HydrophobicContact CD1-CG2 4.41Å; L189-I213 HydrophobicContact CG-CB 4.34Å; L189-I213 HydrophobicContact CG-CG2 4.49Å; D190-I213 PolarHBondContact N-O 2.94Å; I213-V215 HydrophobicContact CG2-CG2 4.33Å; I213-L240 HydrophobicContact CG2-CD1 3.49Å; I213-L240 VanDerWaalsContact CG2-CD1 3.49Å; I213-L240 HydrophobicContact CG2-CG 3.93Å; I213-K253 HydrophobicContact CD1-CG 4.48Å; I213-F254 HydrophobicContact CD1-CD1 3.81Å; I213-F254 HydrophobicContact CD1-CE1 4.12Å; I213-F254 HydrophobicContact CG2-CE1 4.23Å; I213-V257 HydrophobicContact CD1-CG2 4.04Å |
| 214 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A193 T199 L225 C237 E238 V239 L240 | A193-A214 HydrophobicContact CB-CB 3.62Å; T199-A214 HydrophobicContact CG2-CB 3.83Å; A214-L225 HydrophobicContact CB-CD2 4.23Å; A214-C237 VanDerWaalsContact CB-SG 3.55Å; A214-E238 PolarHBondContact N-O 3.46Å; A214-V239 HydrophobicContact CB-CG2 4.3Å; A214-V239 CarbonylContact O-C 3.58Å; A214-V239 WeakPolarHBondContact O-CA 3.25Å; A214-L240 PolarHBondContact O-N 3.32Å |
| 215 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.2 | -174.7 | -173.1 | 0 | 0 | 0 | 0 | 110 | L189 D190 C192 A193 I213 L240 S242 F244 L247 | L189-V215 HydrophobicContact CD1-CG2 4.48Å; L189-V215 HydrophobicContact CD2-CG2 4.37Å; L189-V215 HydrophobicContact CG-CG2 4.29Å; D190-V215 PolarHBondContact O-N 2.82Å; C192-V215 CarbonylContact C-O 3.58Å; C192-V215 WeakPolarHBondContact CA-O 3.38Å; A193-V215 PolarHBondContact N-O 3.24Å; I213-V215 HydrophobicContact CG2-CG2 4.33Å; V215-L240 WeakPolarHBondContact CA-O 3.38Å; V215-S242 WeakPolarHBondContact CG1-O 3.35Å; V215-F244 HydrophobicContact CG1-CB 4.38Å; V215-L247 HydrophobicContact CG1-CD1 4.42Å; V215-L247 HydrophobicContact CG2-CD1 3.84Å |
| 216 | E | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 126.8 | 171.4 | 170 | 57.4 | -138.6 | 0 | 0 | 109.8 | A194 N218 R221 K222 L225 L240 C241 S242 | A194-E216 HydrophobicContact CB-CB 4.35Å; A194-E216 HydrophobicContact CB-CG 3.83Å; A194-E216 WeakPolarHBondContact CB-OE2 3.49Å; E216-N218 VanDerWaalsContact C-N 3.34Å; E216-N218 PolarHBondContact O-N 3.34Å; E216-N218 WeakPolarHBondContact OE1-CB 3.48Å; E216-N218 PolarHBondContact OE1-N 2.89Å; E216-N218 VanDerWaalsContact OE1-N 3.07Å; E216-R221 VanDerWaalsContact CD-NH1 3.26Å; E216-R221 HydrophobicContact CG-CB 3.77Å; E216-R221 IonicContact OE1-CZ 3.47Å; E216-R221 IonicContact OE1-NE 2.82Å; E216-R221 IonicContact OE1-NH1 3.58Å; E216-R221 PolarHBondContact OE1-NH1 3.15Å; E216-R221 IonicContact OE2-CZ 3.86Å; E216-R221 VanDerWaalsContact OE2-CZ 3.27Å; E216-R221 IonicContact OE2-NE 3.5Å; E216-R221 IonicContact OE2-NH1 3.43Å; E216-R221 PolarHBondContact OE2-NH1 2.57Å; E216-R221 IonicContact OE2-NH2 2.67Å; E216-K222 HydrophobicContact CB-CB 4.22Å; E216-K222 HydrophobicContact CG-CB 4.07Å; E216-L225 HydrophobicContact CB-CD2 4.3Å; E216-L240 PolarHBondContact N-O 3.08Å; E216-C241 VanDerWaalsContact O-CA 3.23Å; E216-C241 WeakPolarHBondContact O-CA 3.35Å; E216-C241 PolarHBondContact O-SG 3.2Å; E216-S242 CarbonylContact C-O 3.57Å; E216-S242 PolarHBondContact O-N 2.99Å |
| 217 | I | 98.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 62.2 Ų | 62.2 | 55% | 0.554 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -72.9 | -26.3 | -175.7 | -164.6 | 173 | 0 | 0 | 0 | 113.5 | S242 D243 | I217-S242 VanDerWaalsContact CA-O 3.29Å; I217-S242 WeakPolarHBondContact CA-O 3.47Å; I217-S242 PolarHBondContact N-O 2.94Å; I217-D243 HydrophobicContact CD1-CB 3.68Å; I217-D243 HydrophobicContact CG1-CB 4.12Å |
| 218 | N | 97.8 | Very high | 98.2 | Very high | 69 Ų | 69 | 59 Ų | 59 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | trans | -101.2 | 119.7 | -174 | -178.4 | -89 | 0 | 0 | 0 | 112.4 | E216 K220 R221 K222 | E216-N218 VanDerWaalsContact C-N 3.34Å; E216-N218 PolarHBondContact O-N 3.34Å; E216-N218 WeakPolarHBondContact OE1-CB 3.48Å; E216-N218 PolarHBondContact OE1-N 2.89Å; E216-N218 VanDerWaalsContact OE1-N 3.07Å; N218-K220 VanDerWaalsContact C-N 3.3Å; N218-K220 PolarHBondContact O-N 2.92Å; N218-K220 VanDerWaalsContact O-N 3.17Å; N218-K220 WeakPolarHBondContact OD1-CB 3.45Å; N218-K220 PolarHBondContact OD1-N 3.11Å; N218-K220 VanDerWaalsContact OD1-N 3.14Å; N218-R221 HydrophobicContact CB-CB 4.08Å; N218-R221 HydrophobicContact CB-CG 4.12Å; N218-R221 CarbonylContact O-C 3.52Å; N218-R221 PolarHBondContact O-N 3.17Å; N218-R221 PolarHBondContact OD1-N 3.43Å; N218-K222 WeakPolarHBondContact O-CB 3.47Å; N218-K222 PolarHBondContact O-N 3.01Å | ||
| 219 | E | 97.7 | Very high | 98.2 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.5 | -40.2 | -177.5 | -167.4 | 64 | -139.3 | 0 | 0 | 113.6 | K222 Q223 C241 | E219-K222 WeakPolarHBondContact O-CB 3.01Å; E219-K222 PolarHBondContact O-N 3.37Å; E219-K222 VanDerWaalsContact OE1-CD 3.23Å; E219-K222 WeakPolarHBondContact OE1-CD 3.33Å; E219-K222 IonicContact OE1-NZ 3.43Å; E219-K222 PolarHBondContact OE1-NZ 3.16Å; E219-K222 IonicContact OE2-NZ 3.54Å; E219-Q223 PolarHBondContact O-N 2.9Å; E219-C241 WeakPolarHBondContact OE2-CB 3.35Å; E219-C241 PolarHBondContact OE2-SG 3.27Å |
| 220 | K | 97.6 | Very high | 98.1 | Very high | 176 Ų | 176 | 58.8 Ų | 58.8 | 77% | 0.765 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 178.4 | -64.4 | -177.7 | 179.1 | 178.2 | 0 | 111.7 | N218 K222 Q223 V224 | N218-K220 VanDerWaalsContact C-N 3.3Å; N218-K220 PolarHBondContact O-N 2.92Å; N218-K220 VanDerWaalsContact O-N 3.17Å; N218-K220 WeakPolarHBondContact OD1-CB 3.45Å; N218-K220 PolarHBondContact OD1-N 3.11Å; N218-K220 VanDerWaalsContact OD1-N 3.14Å; K220-K222 VanDerWaalsContact C-N 3.33Å; K220-Q223 PolarHBondContact O-N 2.73Å; K220-V224 PolarHBondContact O-N 2.76Å |
| 221 | R | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 59.8 Ų | 59.8 | 42% | 0.419 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 176.2 | -68.1 | -178.1 | 68.1 | -143.4 | 4.1 | 111.7 | A194 E216 N218 V224 L225 | A194-R221 HydrophobicContact CB-CB 3.8Å; A194-R221 PolarHBondContact O-NH2 2.83Å; E216-R221 VanDerWaalsContact CD-NH1 3.26Å; E216-R221 HydrophobicContact CG-CB 3.77Å; E216-R221 IonicContact OE1-CZ 3.47Å; E216-R221 IonicContact OE1-NE 2.82Å; E216-R221 IonicContact OE1-NH1 3.58Å; E216-R221 PolarHBondContact OE1-NH1 3.15Å; E216-R221 IonicContact OE2-CZ 3.86Å; E216-R221 VanDerWaalsContact OE2-CZ 3.27Å; E216-R221 IonicContact OE2-NE 3.5Å; E216-R221 IonicContact OE2-NH1 3.43Å; E216-R221 PolarHBondContact OE2-NH1 2.57Å; E216-R221 IonicContact OE2-NH2 2.67Å; N218-R221 HydrophobicContact CB-CB 4.08Å; N218-R221 HydrophobicContact CB-CG 4.12Å; N218-R221 CarbonylContact O-C 3.52Å; N218-R221 PolarHBondContact O-N 3.17Å; N218-R221 PolarHBondContact OD1-N 3.43Å; R221-V224 PolarHBondContact O-N 3.27Å; R221-L225 WeakPolarHBondContact O-CB 3.39Å; R221-L225 PolarHBondContact O-N 2.97Å |
| 222 | K | 98.3 | Very high | 97.9 | Very high | 46 Ų | 46 | 57.2 Ų | 57.2 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 172.5 | 173.2 | -113 | -172.2 | 173.2 | 0 | 111.2 | E216 N218 E219 K220 V224 L225 V226 V239 C241 | E216-K222 HydrophobicContact CB-CB 4.22Å; E216-K222 HydrophobicContact CG-CB 4.07Å; N218-K222 WeakPolarHBondContact O-CB 3.47Å; N218-K222 PolarHBondContact O-N 3.01Å; E219-K222 WeakPolarHBondContact O-CB 3.01Å; E219-K222 PolarHBondContact O-N 3.37Å; E219-K222 VanDerWaalsContact OE1-CD 3.23Å; E219-K222 WeakPolarHBondContact OE1-CD 3.33Å; E219-K222 IonicContact OE1-NZ 3.43Å; E219-K222 PolarHBondContact OE1-NZ 3.16Å; E219-K222 IonicContact OE2-NZ 3.54Å; K220-K222 VanDerWaalsContact C-N 3.33Å; K222-V224 PolarHBondContact O-N 3.15Å; K222-L225 WeakPolarHBondContact O-CB 3.29Å; K222-L225 PolarHBondContact O-N 3.24Å; K222-V226 WeakPolarHBondContact O-CG2 3.27Å; K222-V226 PolarHBondContact O-N 2.84Å; K222-V239 HydrophobicContact CG-CG1 3.65Å; K222-C241 HydrophobicContact CD-CB 3.95Å; K222-C241 HydrophobicContact CG-CB 4.11Å |
| 223 | Q | 98.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 173.2 | -169.6 | 61 | 46.1 | 0 | 0 | 111.9 | E219 K220 L225 V226 D227 | E219-Q223 PolarHBondContact O-N 2.9Å; K220-Q223 PolarHBondContact O-N 2.73Å; Q223-L225 VanDerWaalsContact C-N 3.26Å; Q223-L225 PolarHBondContact O-N 3.34Å; Q223-V226 PolarHBondContact O-N 3.37Å; Q223-D227 PolarHBondContact NE2-OD1 2.93Å; Q223-D227 VanDerWaalsContact O-CG 3.23Å; Q223-D227 PolarHBondContact O-N 3.11Å |
| 224 | V | 97.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | P195 K220 R221 K222 R228 | P195-V224 HydrophobicContact CB-CG1 4.37Å; K220-V224 PolarHBondContact O-N 2.76Å; R221-V224 PolarHBondContact O-N 3.27Å; K222-V224 PolarHBondContact O-N 3.15Å; V224-R228 HydrophobicContact CG1-CG 4.5Å; V224-R228 WeakPolarHBondContact O-CB 3.38Å; V224-R228 WeakPolarHBondContact O-CD 3.33Å; V224-R228 WeakPolarHBondContact O-CG 3.26Å; V224-R228 PolarHBondContact O-N 2.83Å; V224-R228 VanDerWaalsContact O-N 3.1Å |
| 225 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -52.3 | 174.8 | 171 | 64.8 | 0 | 0 | 0 | 111 | A193 A194 A214 E216 R221 K222 Q223 D227 R228 L229 V239 | A193-L225 HydrophobicContact CB-CD1 4.2Å; A193-L225 HydrophobicContact CB-CD2 3.54Å; A194-L225 HydrophobicContact CB-CB 4.16Å; A214-L225 HydrophobicContact CB-CD2 4.23Å; E216-L225 HydrophobicContact CB-CD2 4.3Å; R221-L225 WeakPolarHBondContact O-CB 3.39Å; R221-L225 PolarHBondContact O-N 2.97Å; K222-L225 WeakPolarHBondContact O-CB 3.29Å; K222-L225 PolarHBondContact O-N 3.24Å; Q223-L225 VanDerWaalsContact C-N 3.26Å; Q223-L225 PolarHBondContact O-N 3.34Å; L225-D227 PolarHBondContact O-N 2.78Å; L225-R228 PolarHBondContact O-N 2.88Å; L225-L229 HydrophobicContact CD1-CD1 3.74Å; L225-L229 HydrophobicContact CD1-CD2 4.3Å; L225-L229 HydrophobicContact CD1-CG 3.86Å; L225-L229 HydrophobicContact CG-CD1 3.96Å; L225-L229 HydrophobicContact CG-CG 4.39Å; L225-L229 VanDerWaalsContact O-CG 3.27Å; L225-L229 WeakPolarHBondContact O-CG 3.36Å; L225-L229 PolarHBondContact O-N 3.07Å; L225-V239 HydrophobicContact CD2-CG1 3.74Å; L225-V239 HydrophobicContact CD2-CG2 4.34Å; L225-V239 HydrophobicContact CG-CG1 4.42Å; L225-V239 HydrophobicContact CG-CG2 4.43Å |
| 226 | V | 98.7 | Very high | 97.8 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.4 | -50.7 | 179.2 | 171 | 0 | 0 | 0 | 0 | 111.2 | K222 Q223 R228 L229 L230 V239 | K222-V226 WeakPolarHBondContact O-CG2 3.27Å; K222-V226 PolarHBondContact O-N 2.84Å; Q223-V226 PolarHBondContact O-N 3.37Å; V226-R228 VanDerWaalsContact C-N 3.28Å; V226-R228 PolarHBondContact O-N 2.88Å; V226-L229 PolarHBondContact O-N 3.2Å; V226-L230 WeakPolarHBondContact O-CB 3.39Å; V226-L230 PolarHBondContact O-N 3.22Å; V226-V239 HydrophobicContact CG2-CB 4.03Å; V226-V239 HydrophobicContact CG2-CG1 4.05Å; V226-V239 HydrophobicContact CG2-CG2 3.95Å |
| 227 | D | 97 | Very high | 97.8 | Very high | 85 Ų | 85 | 69.2 Ų | 69.2 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | -179.1 | -63.5 | -18 | 0 | 0 | 0 | 111.4 | Q223 L225 S231 | Q223-D227 PolarHBondContact NE2-OD1 2.93Å; Q223-D227 VanDerWaalsContact O-CG 3.23Å; Q223-D227 PolarHBondContact O-N 3.11Å; L225-D227 PolarHBondContact O-N 2.78Å; D227-S231 WeakPolarHBondContact O-CB 3.49Å; D227-S231 PolarHBondContact O-N 3.16Å |
| 228 | R | 96.7 | Very high | 97.9 | Very high | 76 Ų | 76 | 67.4 Ų | 67.4 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69 | -46.6 | 178.5 | -75.3 | 172.8 | 67.1 | 88.6 | 1.4 | 111.8 | P195 N197 V224 L225 V226 L230 S231 F232 | P195-R228 WeakPolarHBondContact O-CD 3.35Å; P195-R228 PolarHBondContact O-NE 3.2Å; N197-R228 PolarHBondContact OD1-NH2 2.77Å; V224-R228 HydrophobicContact CG1-CG 4.5Å; V224-R228 WeakPolarHBondContact O-CB 3.38Å; V224-R228 WeakPolarHBondContact O-CD 3.33Å; V224-R228 WeakPolarHBondContact O-CG 3.26Å; V224-R228 PolarHBondContact O-N 2.83Å; V224-R228 VanDerWaalsContact O-N 3.1Å; L225-R228 PolarHBondContact O-N 2.88Å; V226-R228 VanDerWaalsContact C-N 3.28Å; V226-R228 PolarHBondContact O-N 2.88Å; R228-L230 VanDerWaalsContact C-N 3.3Å; R228-L230 PolarHBondContact O-N 2.79Å; R228-S231 CarbonylContact O-C 3.46Å; R228-S231 PolarHBondContact O-N 2.69Å; R228-S231 VanDerWaalsContact O-N 3.14Å; R228-S231 PolarHBondContact O-OG 2.78Å; R228-F232 HydrophobicContact CB-CD2 4.38Å; R228-F232 HydrophobicContact CB-CE2 3.99Å; R228-F232 HydrophobicContact CB-CZ 4.43Å; R228-F232 WeakPolarHBondContact O-CB 3.29Å; R228-F232 VanDerWaalsContact O-CD2 3.24Å; R228-F232 WeakPolarHBondContact O-CD2 3.34Å; R228-F232 WeakPolarHBondContact O-CG 3.31Å; R228-F232 PolarHBondContact O-N 3.48Å |
| 229 | L | 98.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 177.8 | -68.8 | 179.1 | 0 | 0 | 0 | 111.5 | T199 L225 V226 F232 G233 V234 C237 V239 | T199-L229 HydrophobicContact CG2-CD1 4.28Å; T199-L229 HydrophobicContact CG2-CD2 4.01Å; L225-L229 HydrophobicContact CD1-CD1 3.74Å; L225-L229 HydrophobicContact CD1-CD2 4.3Å; L225-L229 HydrophobicContact CD1-CG 3.86Å; L225-L229 HydrophobicContact CG-CD1 3.96Å; L225-L229 HydrophobicContact CG-CG 4.39Å; L225-L229 VanDerWaalsContact O-CG 3.27Å; L225-L229 WeakPolarHBondContact O-CG 3.36Å; L225-L229 PolarHBondContact O-N 3.07Å; V226-L229 PolarHBondContact O-N 3.2Å; L229-F232 CarbonylContact O-C 3.59Å; L229-F232 PolarHBondContact O-N 3.1Å; L229-G233 PolarHBondContact O-N 2.51Å; L229-V234 HydrophobicContact CB-CB 4.13Å; L229-V234 HydrophobicContact CB-CG2 4.49Å; L229-V234 HydrophobicContact CD2-CB 4.21Å; L229-V234 HydrophobicContact CD2-CG1 4.33Å; L229-V234 HydrophobicContact CD2-CG2 3.9Å; L229-V234 PolarHBondContact O-N 3.5Å; L229-C237 HydrophobicContact CD1-CB 4.38Å; L229-V239 HydrophobicContact CD1-CG2 3.81Å |
| 230 | L | 97.1 | Very high | 97.9 | Very high | 138 Ų | 138 | 62.1 Ų | 62.1 | 72% | 0.723 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.9 | -47.9 | 173.5 | -178.3 | 63.7 | 0 | 0 | 0 | 111.1 | V226 R228 F232 G233 | V226-L230 WeakPolarHBondContact O-CB 3.39Å; V226-L230 PolarHBondContact O-N 3.22Å; R228-L230 VanDerWaalsContact C-N 3.3Å; R228-L230 PolarHBondContact O-N 2.79Å; L230-F232 PolarHBondContact O-N 3.15Å; L230-G233 PolarHBondContact O-N 3.05Å; L230-G233 VanDerWaalsContact O-N 3.08Å |
| 231 | S | 95.8 | Very high | 98 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -26 | 178.2 | 79.7 | 0 | 0 | 0 | 0 | 113.6 | D227 R228 G233 | D227-S231 WeakPolarHBondContact O-CB 3.49Å; D227-S231 PolarHBondContact O-N 3.16Å; R228-S231 CarbonylContact O-C 3.46Å; R228-S231 PolarHBondContact O-N 2.69Å; R228-S231 VanDerWaalsContact O-N 3.14Å; R228-S231 PolarHBondContact O-OG 2.78Å; S231-G233 VanDerWaalsContact C-N 3.32Å |
| 232 | F | 97.3 | Very high | 98 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 2.3 | 177.8 | -62.1 | -25.1 | 0 | 0 | 0 | 112.8 | N95 I167 R228 L229 L230 V234 | N95-F232 WeakPolarHBondContact ND2-CA 3.31Å; N95-F232 PolarHBondContact ND2-O 3.03Å; I167-F232 HydrophobicContact CD1-CB 4.42Å; I167-F232 HydrophobicContact CD1-CD1 3.72Å; I167-F232 HydrophobicContact CD1-CD2 3.93Å; I167-F232 HydrophobicContact CD1-CE1 3.87Å; I167-F232 HydrophobicContact CD1-CE2 4.04Å; I167-F232 HydrophobicContact CD1-CG 3.76Å; I167-F232 HydrophobicContact CD1-CZ 4.02Å; I167-F232 HydrophobicContact CG1-CD1 3.91Å; I167-F232 HydrophobicContact CG1-CE1 3.63Å; I167-F232 HydrophobicContact CG1-CE2 4.41Å; I167-F232 HydrophobicContact CG1-CG 4.44Å; I167-F232 HydrophobicContact CG1-CZ 3.9Å; I167-F232 HydrophobicContact CG2-CE2 4.3Å; I167-F232 HydrophobicContact CG2-CZ 3.98Å; R228-F232 HydrophobicContact CB-CD2 4.38Å; R228-F232 HydrophobicContact CB-CE2 3.99Å; R228-F232 HydrophobicContact CB-CZ 4.43Å; R228-F232 WeakPolarHBondContact O-CB 3.29Å; R228-F232 VanDerWaalsContact O-CD2 3.24Å; R228-F232 WeakPolarHBondContact O-CD2 3.34Å; R228-F232 WeakPolarHBondContact O-CG 3.31Å; R228-F232 PolarHBondContact O-N 3.48Å; L229-F232 CarbonylContact O-C 3.59Å; L229-F232 PolarHBondContact O-N 3.1Å; L230-F232 PolarHBondContact O-N 3.15Å; F232-V234 VanDerWaalsContact C-N 3.27Å; F232-V234 HydrophobicContact CB-CG2 4.23Å; F232-V234 PolarHBondContact O-N 3.37Å |
| 233 | G | 97.8 | Very high | 98 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 25.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N208 L229 L230 S231 | N208-G233 PolarHBondContact ND2-O 3.1Å; L229-G233 PolarHBondContact O-N 2.51Å; L230-G233 PolarHBondContact O-N 3.05Å; L230-G233 VanDerWaalsContact O-N 3.08Å; S231-G233 VanDerWaalsContact C-N 3.32Å |
| 234 | V | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -75.6 | 123.8 | 175 | 178.1 | 0 | 0 | 0 | 0 | 109 | L97 A203 L229 F232 C237 | L97-V234 HydrophobicContact CD1-CG2 4Å; A203-V234 HydrophobicContact CB-CB 4.32Å; A203-V234 HydrophobicContact CB-CG1 3.69Å; A203-V234 HydrophobicContact CB-CG2 3.85Å; L229-V234 HydrophobicContact CB-CB 4.13Å; L229-V234 HydrophobicContact CB-CG2 4.49Å; L229-V234 HydrophobicContact CD2-CB 4.21Å; L229-V234 HydrophobicContact CD2-CG1 4.33Å; L229-V234 HydrophobicContact CD2-CG2 3.9Å; L229-V234 PolarHBondContact O-N 3.5Å; F232-V234 VanDerWaalsContact C-N 3.27Å; F232-V234 HydrophobicContact CB-CG2 4.23Å; F232-V234 PolarHBondContact O-N 3.37Å; V234-C237 HydrophobicContact CG1-CB 3.52Å | ||
| 235 | K | 98.4 | Very high | 98.1 | Very high | 180 Ų | 180 | 48.8 Ų | 48.8 | 78% | 0.783 | 26% | 0.263 | S | S | * | . | trans | -116.6 | -25.4 | -176.6 | -62.3 | 176.1 | -175.5 | 175.4 | 0 | 112.9 | N208 C237 | N208-K235 PolarHBondContact OD1-N 3.06Å; K235-C237 VanDerWaalsContact C-N 3.3Å; K235-C237 PolarHBondContact O-N 2.77Å | ||
| 236 | C | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -90.6 | 27.4 | -176.7 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | N208 G210 H211 I212 | N208-C236 WeakPolarHBondContact O-CB 3.49Å; G210-C236 WeakPolarHBondContact O-CB 3.31Å; H211-C236 CarbonylContact C-O 3.55Å; I212-C236 PolarHBondContact N-O 2.83Å |
| 237 | C | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.4 | -172.5 | -170.3 | 0 | 0 | 0 | 0 | 112.5 | I212 A214 L229 V234 K235 | I212-C237 HydrophobicContact CB-CB 4.13Å; I212-C237 CarbonylContact O-C 3.59Å; I212-C237 VanDerWaalsContact O-CA 3.29Å; I212-C237 WeakPolarHBondContact O-CA 3.49Å; A214-C237 VanDerWaalsContact CB-SG 3.55Å; L229-C237 HydrophobicContact CD1-CB 4.38Å; V234-C237 HydrophobicContact CG1-CB 3.52Å; K235-C237 VanDerWaalsContact C-N 3.3Å; K235-C237 PolarHBondContact O-N 2.77Å |
| 238 | E | 98.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.2 | 165.6 | -176.3 | -172.9 | -176.6 | 0 | 0 | 109.4 | H211 I212 A214 L240 K253 | H211-E238 IonicContact CE1-OE2 2.75Å; H211-E238 IonicContact NE2-OE2 3.83Å; H211-E238 PolarHBondContact NE2-OE2 2.58Å; I212-E238 PolarHBondContact O-N 3.26Å; A214-E238 PolarHBondContact N-O 3.46Å; E238-L240 HydrophobicContact CG-CD2 4.09Å; E238-K253 VanDerWaalsContact OE1-CE 3.32Å; E238-K253 WeakPolarHBondContact OE1-CE 3.44Å; E238-K253 IonicContact OE1-NZ 3.92Å; E238-K253 PolarHBondContact OE1-NZ 2.85Å; E238-K253 WeakPolarHBondContact OE2-CE 3.36Å; E238-K253 IonicContact OE2-NZ 2.93Å; E238-K253 PolarHBondContact OE2-NZ 2.95Å |
| 239 | V | 98.8 | Very high | 98.2 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.2 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | A214 K222 L225 V226 L229 | A214-V239 HydrophobicContact CB-CG2 4.3Å; A214-V239 CarbonylContact O-C 3.58Å; A214-V239 WeakPolarHBondContact O-CA 3.25Å; K222-V239 HydrophobicContact CG-CG1 3.65Å; L225-V239 HydrophobicContact CD2-CG1 3.74Å; L225-V239 HydrophobicContact CD2-CG2 4.34Å; L225-V239 HydrophobicContact CG-CG1 4.42Å; L225-V239 HydrophobicContact CG-CG2 4.43Å; V226-V239 HydrophobicContact CG2-CB 4.03Å; V226-V239 HydrophobicContact CG2-CG1 4.05Å; V226-V239 HydrophobicContact CG2-CG2 3.95Å; L229-V239 HydrophobicContact CD1-CG2 3.81Å |
| 240 | L | 98.4 | Very high | 98.2 | Very high | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.2 | 178.1 | -53.1 | -174.3 | 0 | 0 | 0 | 111 | I213 A214 V215 E216 E238 S242 K253 F254 | I213-L240 HydrophobicContact CG2-CD1 3.49Å; I213-L240 VanDerWaalsContact CG2-CD1 3.49Å; I213-L240 HydrophobicContact CG2-CG 3.93Å; A214-L240 PolarHBondContact O-N 3.32Å; V215-L240 WeakPolarHBondContact CA-O 3.38Å; E216-L240 PolarHBondContact N-O 3.08Å; E238-L240 HydrophobicContact CG-CD2 4.09Å; L240-S242 PolarHBondContact O-N 2.89Å; L240-K253 HydrophobicContact CD1-CD 4.34Å; L240-F254 HydrophobicContact CD1-CE1 4.1Å; L240-F254 HydrophobicContact CD1-CZ 4.24Å |
| 241 | C | 98.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 92.6 | 168.2 | -163.9 | 0 | 0 | 0 | 0 | 109.5 | E216 E219 K222 | E216-C241 VanDerWaalsContact O-CA 3.23Å; E216-C241 WeakPolarHBondContact O-CA 3.35Å; E216-C241 PolarHBondContact O-SG 3.2Å; E219-C241 WeakPolarHBondContact OE2-CB 3.35Å; E219-C241 PolarHBondContact OE2-SG 3.27Å; K222-C241 HydrophobicContact CD-CB 3.95Å; K222-C241 HydrophobicContact CG-CB 4.11Å |
| 242 | S | 98.4 | Very high | 98.3 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -155.2 | 159 | -177.5 | -166.6 | 0 | 0 | 0 | 0 | 111 | V215 E216 I217 L240 | V215-S242 WeakPolarHBondContact CG1-O 3.35Å; E216-S242 CarbonylContact C-O 3.57Å; E216-S242 PolarHBondContact O-N 2.99Å; I217-S242 VanDerWaalsContact CA-O 3.29Å; I217-S242 WeakPolarHBondContact CA-O 3.47Å; I217-S242 PolarHBondContact N-O 2.94Å; L240-S242 PolarHBondContact O-N 2.89Å |
| 243 | D | 98.6 | Very high | 98.2 | Very high | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 32% | 0.32 | S | S | . | . | trans | -70.9 | 127.6 | 161.9 | -173.7 | -12.9 | 0 | 0 | 0 | 108.5 | I217 L245 A246 | I217-D243 HydrophobicContact CD1-CB 3.68Å; I217-D243 HydrophobicContact CG1-CB 4.12Å; D243-L245 PolarHBondContact O-N 3.47Å; D243-L245 PolarHBondContact OD1-N 3.02Å; D243-A246 HydrophobicContact CB-CB 3.95Å; D243-A246 WeakPolarHBondContact O-CB 3.31Å; D243-A246 PolarHBondContact O-N 2.85Å | ||
| 244 | F | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -56.2 | -38.1 | 175 | 174.8 | -116.4 | 0 | 0 | 0 | 112 | L189 A191 V215 A246 L247 L262 M299 H302 A303 F306 | L189-F244 HydrophobicContact CD2-CD2 4.01Å; L189-F244 HydrophobicContact CD2-CE2 3.55Å; L189-F244 HydrophobicContact CD2-CZ 4.49Å; A191-F244 HydrophobicContact CB-CB 4.45Å; A191-F244 HydrophobicContact CB-CD1 3.91Å; A191-F244 HydrophobicContact CB-CD2 3.63Å; A191-F244 HydrophobicContact CB-CE1 3.96Å; A191-F244 HydrophobicContact CB-CE2 3.74Å; A191-F244 HydrophobicContact CB-CG 3.72Å; A191-F244 HydrophobicContact CB-CZ 3.89Å; V215-F244 HydrophobicContact CG1-CB 4.38Å; F244-A246 PolarHBondContact O-N 2.79Å; F244-L247 HydrophobicContact CD2-CD1 3.95Å; F244-L247 WeakPolarHBondContact O-CG 3.45Å; F244-L247 PolarHBondContact O-N 3.05Å; F244-L262 HydrophobicContact CE1-CD1 4.36Å; F244-M299 HydrophobicContact CB-CE 4.02Å; F244-M299 HydrophobicContact CD1-CB 4.19Å; F244-M299 HydrophobicContact CD1-CE 3.7Å; F244-M299 HydrophobicContact CD1-CG 4.31Å; F244-M299 HydrophobicContact CE1-CB 4.27Å; F244-M299 WeakPolarHBondContact CE1-O 3.27Å; F244-M299 HydrophobicContact CG-CE 4.26Å; F244-H302 HydrophobicContact CE1-CB 4.34Å; F244-H302 AromaticContact CE1-CD2 3.67Å; F244-H302 AromaticContact CZ-CD2 3.68Å; F244-H302 PolarHBondContact O-CD2 2.93Å; F244-H302 VanDerWaalsContact O-CD2 3.31Å; F244-H302 PolarHBondContact O-NE2 3.06Å; F244-H302 VanDerWaalsContact O-NE2 3.12Å; F244-A303 HydrophobicContact CE1-CB 4.22Å; F244-A303 HydrophobicContact CZ-CB 3.87Å; F244-F306 HydrophobicContact CE2-CE2 4.04Å; F244-F306 HydrophobicContact CE2-CZ 4.14Å; F244-F306 HydrophobicContact CZ-CE2 4.18Å |
| 245 | L | 98.7 | Very high | 98.2 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -70.3 | -16 | 178.2 | -69.5 | 177 | 0 | 0 | 0 | 113.5 | D243 L295 K298 M299 H302 | D243-L245 PolarHBondContact O-N 3.47Å; D243-L245 PolarHBondContact OD1-N 3.02Å; L245-L295 HydrophobicContact CD1-CD1 3.87Å; L245-K298 HydrophobicContact CD1-CB 4.44Å; L245-K298 HydrophobicContact CD2-CB 4.39Å; L245-M299 HydrophobicContact CD1-CG 4.17Å; L245-M299 HydrophobicContact CD2-CB 4.39Å; L245-M299 HydrophobicContact CD2-CG 3.9Å; L245-M299 HydrophobicContact CG-CG 3.97Å; L245-H302 HydrophobicContact CD2-CB 3.75Å |
| 246 | A | 98.4 | Very high | 98.2 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 56% | 0.562 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -90.1 | -8.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D243 F244 N248 | D243-A246 HydrophobicContact CB-CB 3.95Å; D243-A246 WeakPolarHBondContact O-CB 3.31Å; D243-A246 PolarHBondContact O-N 2.85Å; F244-A246 PolarHBondContact O-N 2.79Å; A246-N248 PolarHBondContact O-N 3.14Å |
| 247 | L | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -68.7 | 132.2 | 175.6 | -55.8 | -173.4 | 0 | 0 | 0 | 109.3 | L189 V215 F244 P249 F254 H302 | L189-L247 HydrophobicContact CD1-CD1 4.21Å; V215-L247 HydrophobicContact CG1-CD1 4.42Å; V215-L247 HydrophobicContact CG2-CD1 3.84Å; F244-L247 HydrophobicContact CD2-CD1 3.95Å; F244-L247 WeakPolarHBondContact O-CG 3.45Å; F244-L247 PolarHBondContact O-N 3.05Å; L247-P249 VanDerWaalsContact O-CD 3.31Å; L247-P249 WeakPolarHBondContact O-CD 3.33Å; L247-F254 HydrophobicContact CB-CE2 4.07Å; L247-F254 HydrophobicContact CB-CZ 4.19Å; L247-F254 HydrophobicContact CD1-CE1 4.2Å; L247-F254 HydrophobicContact CD1-CZ 3.96Å; L247-F254 HydrophobicContact CD2-CE2 4.49Å; L247-F254 HydrophobicContact CD2-CZ 3.98Å; L247-F254 HydrophobicContact CG-CZ 4.26Å; L247-H302 PolarHBondContact O-CE1 3.05Å; L247-H302 PolarHBondContact O-NE2 2.93Å |
| 248 | N | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | trans | -87.8 | 113.8 | 170.4 | 169.2 | 11.3 | 0 | 0 | 0 | 109.2 | A246 R250 E251 F254 | A246-N248 PolarHBondContact O-N 3.14Å; N248-R250 PolarHBondContact O-N 2.88Å; N248-R250 PolarHBondContact OD1-N 2.89Å; N248-E251 HydrophobicContact CB-CG 3.89Å; N248-E251 WeakPolarHBondContact CB-OE1 3.3Å; N248-E251 PolarHBondContact N-OE1 3.29Å; N248-E251 WeakPolarHBondContact O-CB 3.42Å; N248-E251 PolarHBondContact O-N 3.25Å; N248-F254 VanDerWaalsContact O-CD2 3.31Å; N248-F254 WeakPolarHBondContact O-CD2 3.47Å | ||
| 249 | P | 98.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.5 | -174.1 | -19.2 | 31.5 | 0 | 0 | 0 | 114.6 | L247 S305 F306 P307 | L247-P249 VanDerWaalsContact O-CD 3.31Å; L247-P249 WeakPolarHBondContact O-CD 3.33Å; P249-S305 WeakPolarHBondContact CG-OG 3.49Å; P249-F306 HydrophobicContact CB-CB 4.3Å; P249-F306 HydrophobicContact CB-CD1 3.99Å; P249-F306 HydrophobicContact CB-CD2 3.8Å; P249-F306 HydrophobicContact CB-CE1 4.23Å; P249-F306 HydrophobicContact CB-CE2 4.03Å; P249-F306 HydrophobicContact CB-CG 3.77Å; P249-F306 HydrophobicContact CB-CZ 4.24Å; P249-F306 HydrophobicContact CG-CD2 4.03Å; P249-F306 HydrophobicContact CG-CE2 3.95Å; P249-F306 HydrophobicContact CG-CZ 4.37Å; P249-P307 WeakPolarHBondContact O-CD 3.13Å |
| 250 | R | 97.7 | Very high | 98.2 | Very high | 215 Ų | 215 | 56.1 Ų | 56.1 | 81% | 0.811 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -1.6 | 177.3 | -62.6 | -178.6 | 179.2 | 173.4 | -0.6 | 113.6 | N248 P307 | N248-R250 PolarHBondContact O-N 2.88Å; N248-R250 PolarHBondContact OD1-N 2.89Å; R250-P307 HydrophobicContact CG-CG 4.04Å |
| 251 | E | 97.7 | Very high | 98.3 | Very high | 87 Ų | 87 | 55 Ų | 55 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -62 | 140.5 | 171.9 | -74.1 | 175.7 | -131.3 | 0 | 0 | 110.4 | N248 K253 F254 Q255 | N248-E251 HydrophobicContact CB-CG 3.89Å; N248-E251 WeakPolarHBondContact CB-OE1 3.3Å; N248-E251 PolarHBondContact N-OE1 3.29Å; N248-E251 WeakPolarHBondContact O-CB 3.42Å; N248-E251 PolarHBondContact O-N 3.25Å; E251-K253 PolarHBondContact O-N 3.44Å; E251-F254 HydrophobicContact CB-CD2 3.88Å; E251-F254 HydrophobicContact CB-CE2 4.13Å; E251-F254 PolarHBondContact O-N 2.95Å; E251-Q255 PolarHBondContact O-N 2.85Å |
| 252 | K | 96.7 | Very high | 98.3 | Very high | 167 Ų | 167 | 52.6 Ų | 52.6 | 73% | 0.726 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -51.1 | -32.9 | -179.7 | -172.8 | 178.1 | -179.6 | 179.9 | 0 | 112.7 | F254 Q255 | K252-F254 PolarHBondContact O-N 3.46Å; K252-Q255 WeakPolarHBondContact O-CB 3.2Å; K252-Q255 WeakPolarHBondContact O-CG 3.05Å; K252-Q255 PolarHBondContact O-N 2.95Å |
| 253 | K | 97 | Very high | 98.3 | Very high | 80 Ų | 80 | 52 Ų | 52 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -56.5 | -34 | 177 | -175.5 | 172.8 | -165.8 | 158.8 | 0 | 113.9 | I213 E238 L240 E251 | I213-K253 HydrophobicContact CD1-CG 4.48Å; E238-K253 VanDerWaalsContact OE1-CE 3.32Å; E238-K253 WeakPolarHBondContact OE1-CE 3.44Å; E238-K253 IonicContact OE1-NZ 3.92Å; E238-K253 PolarHBondContact OE1-NZ 2.85Å; E238-K253 WeakPolarHBondContact OE2-CE 3.36Å; E238-K253 IonicContact OE2-NZ 2.93Å; E238-K253 PolarHBondContact OE2-NZ 2.95Å; L240-K253 HydrophobicContact CD1-CD 4.34Å; E251-K253 PolarHBondContact O-N 3.44Å |
| 254 | F | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -104.2 | 3 | -175.1 | -50.7 | -60.4 | 0 | 0 | 0 | 113.1 | L189 I213 L240 L247 N248 E251 K252 D256 V257 F306 | L189-F254 HydrophobicContact CD1-CD1 4.09Å; L189-F254 HydrophobicContact CD1-CE1 4.25Å; I213-F254 HydrophobicContact CD1-CD1 3.81Å; I213-F254 HydrophobicContact CD1-CE1 4.12Å; I213-F254 HydrophobicContact CG2-CE1 4.23Å; L240-F254 HydrophobicContact CD1-CE1 4.1Å; L240-F254 HydrophobicContact CD1-CZ 4.24Å; L247-F254 HydrophobicContact CB-CE2 4.07Å; L247-F254 HydrophobicContact CB-CZ 4.19Å; L247-F254 HydrophobicContact CD1-CE1 4.2Å; L247-F254 HydrophobicContact CD1-CZ 3.96Å; L247-F254 HydrophobicContact CD2-CE2 4.49Å; L247-F254 HydrophobicContact CD2-CZ 3.98Å; L247-F254 HydrophobicContact CG-CZ 4.26Å; N248-F254 VanDerWaalsContact O-CD2 3.31Å; N248-F254 WeakPolarHBondContact O-CD2 3.47Å; E251-F254 HydrophobicContact CB-CD2 3.88Å; E251-F254 HydrophobicContact CB-CE2 4.13Å; E251-F254 PolarHBondContact O-N 2.95Å; K252-F254 PolarHBondContact O-N 3.46Å; F254-D256 PolarHBondContact O-N 2.66Å; F254-V257 HydrophobicContact CB-CG2 4.14Å; F254-V257 HydrophobicContact CD1-CG2 4.43Å; F254-V257 WeakPolarHBondContact O-CB 3.43Å; F254-V257 WeakPolarHBondContact O-CG2 3.28Å; F254-V257 PolarHBondContact O-N 3.46Å; F254-V257 VanDerWaalsContact O-N 3.11Å; F254-F306 HydrophobicContact CB-CD1 3.94Å; F254-F306 HydrophobicContact CB-CE1 3.67Å; F254-F306 HydrophobicContact CD1-CE1 4.18Å; F254-F306 HydrophobicContact CD2-CE1 4.36Å; F254-F306 AromaticContact CG-CE1 3.82Å; F254-F306 HydrophobicContact CG-CE1 3.82Å |
| 255 | Q | 97.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -34.1 | -174.9 | 77.7 | -174.5 | -1.1 | 0 | 0 | 111.7 | E251 K252 N308 | E251-Q255 PolarHBondContact O-N 2.85Å; K252-Q255 WeakPolarHBondContact O-CB 3.2Å; K252-Q255 WeakPolarHBondContact O-CG 3.05Å; K252-Q255 PolarHBondContact O-N 2.95Å; Q255-N308 WeakPolarHBondContact O-CB 3.47Å; Q255-N308 PolarHBondContact O-ND2 2.84Å |
| 256 | D | 98 | Very high | 98 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.2 | -175.2 | -59.8 | -52.5 | 0 | 0 | 0 | 112.8 | T187 F254 T258 | T187-D256 WeakPolarHBondContact CB-O 3.37Å; T187-D256 HydrophobicContact CG2-CB 4.46Å; F254-D256 PolarHBondContact O-N 2.66Å; D256-T258 PolarHBondContact O-N 3.08Å; D256-T258 VanDerWaalsContact O-N 3.11Å |
| 257 | V | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | trans | -67.3 | 110.7 | 179.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | T187 L189 I213 F254 I260 F306 N308 I309 | T187-V257 HydrophobicContact CG2-CG2 3.94Å; L189-V257 HydrophobicContact CB-CG1 3.9Å; L189-V257 HydrophobicContact CB-CG2 4.37Å; I213-V257 HydrophobicContact CD1-CG2 4.04Å; F254-V257 HydrophobicContact CB-CG2 4.14Å; F254-V257 HydrophobicContact CD1-CG2 4.43Å; F254-V257 WeakPolarHBondContact O-CB 3.43Å; F254-V257 WeakPolarHBondContact O-CG2 3.28Å; F254-V257 PolarHBondContact O-N 3.46Å; F254-V257 VanDerWaalsContact O-N 3.11Å; V257-I260 HydrophobicContact CG1-CD1 4.18Å; V257-I260 HydrophobicContact CG1-CG1 3.77Å; V257-F306 HydrophobicContact CB-CD1 4.29Å; V257-F306 HydrophobicContact CG1-CD1 4.28Å; V257-N308 CarbonylContact O-C 3.56Å; V257-I309 PolarHBondContact O-N 3.16Å | ||
| 258 | T | 98.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 17% | 0.172 | 22% | 0.223 | C | C | . | . | trans | -105.3 | -19.7 | 178.1 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | T187 D256 N308 I309 Q310 R311 | T187-T258 PolarHBondContact O-N 3.01Å; T187-T258 VanDerWaalsContact O-N 3.1Å; T187-T258 PolarHBondContact O-OG1 3.01Å; D256-T258 PolarHBondContact O-N 3.08Å; D256-T258 VanDerWaalsContact O-N 3.11Å; T258-N308 WeakPolarHBondContact CA-O 3.01Å; T258-I309 WeakPolarHBondContact O-CD1 3.47Å; T258-Q310 HydrophobicContact CG2-CG 4.44Å; T258-Q310 PolarHBondContact O-N 2.87Å; T258-R311 PolarHBondContact O-N 2.69Å | ||
| 259 | H | 98.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.023 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.8 | -177 | -66.5 | 70 | 0 | 0 | 0 | 110.5 | L180 L182 V188 L189 R311 | L180-H259 HydrophobicContact CD2-CB 4.33Å; L180-H259 PolarHBondContact O-CD2 2.91Å; L182-H259 HydrophobicContact CD2-CB 4.05Å; V188-H259 CarbonylContact C-O 3.42Å; V188-H259 VanDerWaalsContact CA-O 3.3Å; V188-H259 WeakPolarHBondContact CA-O 3.35Å; V188-H259 HydrophobicContact CB-CB 4.41Å; V188-H259 HydrophobicContact CG1-CB 3.96Å; V188-H259 HydrophobicContact CG2-CB 4.13Å; L189-H259 PolarHBondContact N-O 2.75Å; H259-R311 VanDerWaalsContact CA-O 3.32Å; H259-R311 WeakPolarHBondContact CA-O 3.39Å |
| 260 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130 | 175.5 | -68.4 | 168.1 | 0 | 0 | 0 | 109.8 | L189 V257 A303 F306 I309 R311 C312 V313 | L189-I260 HydrophobicContact CB-CG1 4.11Å; L189-I260 HydrophobicContact CD2-CG1 4.34Å; L189-I260 HydrophobicContact CD2-CG2 4.14Å; L189-I260 WeakPolarHBondContact O-CA 3.46Å; V257-I260 HydrophobicContact CG1-CD1 4.18Å; V257-I260 HydrophobicContact CG1-CG1 3.77Å; I260-A303 HydrophobicContact CD1-CB 4.2Å; I260-A303 WeakPolarHBondContact CD1-O 3.49Å; I260-A303 HydrophobicContact CG2-CB 3.89Å; I260-F306 HydrophobicContact CD1-CB 4.06Å; I260-F306 HydrophobicContact CD1-CD1 4.15Å; I260-F306 HydrophobicContact CD1-CD2 3.53Å; I260-F306 HydrophobicContact CD1-CE2 3.98Å; I260-F306 HydrophobicContact CD1-CG 3.64Å; I260-F306 HydrophobicContact CD1-CZ 4.46Å; I260-I309 HydrophobicContact CB-CD1 3.85Å; I260-I309 HydrophobicContact CD1-CD1 3.68Å; I260-I309 HydrophobicContact CD1-CG1 4.33Å; I260-I309 HydrophobicContact CG1-CD1 3.56Å; I260-R311 PolarHBondContact N-O 3.19Å; I260-C312 CarbonylContact O-C 3.53Å; I260-C312 WeakPolarHBondContact O-CA 3.16Å; I260-V313 PolarHBondContact O-N 2.67Å |
| 261 | L | 99 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.9 | 164.2 | -179.8 | 61.9 | 0 | 0 | 0 | 109.5 | P176 V177 L180 L189 A191 K198 M202 V313 | P176-L261 HydrophobicContact CB-CD1 3.88Å; V177-L261 HydrophobicContact CG2-CD2 4.12Å; L180-L261 HydrophobicContact CD1-CB 4.04Å; L180-L261 HydrophobicContact CD1-CD1 4.44Å; L180-L261 HydrophobicContact CD1-CD2 4.47Å; L180-L261 HydrophobicContact CD2-CB 4.39Å; L189-L261 PolarHBondContact O-N 3.4Å; A191-L261 WeakPolarHBondContact CB-O 3.29Å; A191-L261 PolarHBondContact N-O 2.79Å; K198-L261 HydrophobicContact CB-CD2 3.69Å; K198-L261 HydrophobicContact CD-CD2 3.81Å; K198-L261 HydrophobicContact CG-CD2 4.38Å; M202-L261 HydrophobicContact CE-CD2 4.24Å; M202-L261 HydrophobicContact SD-CB 4.15Å; M202-L261 HydrophobicContact SD-CD2 4Å; L261-V313 HydrophobicContact CD1-CB 4.12Å; L261-V313 HydrophobicContact CD1-CG1 4.13Å |
| 262 | L | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 96.9 | 175.2 | 178.3 | 56.2 | 0 | 0 | 0 | 110.1 | A191 F244 P264 M299 L300 A303 V313 Y314 S315 | A191-L262 HydrophobicContact CB-CD1 3.8Å; F244-L262 HydrophobicContact CE1-CD1 4.36Å; L262-P264 VanDerWaalsContact C-CD 3.46Å; L262-P264 HydrophobicContact CD1-CB 4.07Å; L262-P264 HydrophobicContact CD1-CG 4.31Å; L262-P264 HydrophobicContact CG-CG 4.39Å; L262-P264 VanDerWaalsContact O-CD 3.27Å; L262-P264 WeakPolarHBondContact O-CD 3.37Å; L262-M299 HydrophobicContact CD1-CB 3.89Å; L262-M299 HydrophobicContact CD1-CE 3.96Å; L262-M299 HydrophobicContact CD1-SD 4.5Å; L262-M299 VanDerWaalsContact CD2-C 3.48Å; L262-M299 HydrophobicContact CD2-CB 3.89Å; L262-L300 HydrophobicContact CD2-CB 3.79Å; L262-L300 HydrophobicContact CD2-CD1 4.05Å; L262-L300 VanDerWaalsContact CD2-N 3.32Å; L262-A303 HydrophobicContact CD2-CB 4.33Å; L262-V313 PolarHBondContact N-O 2.64Å; L262-Y314 HydrophobicContact CD2-CD2 4.02Å; L262-Y314 HydrophobicContact CG-CD2 4.11Å; L262-Y314 WeakPolarHBondContact O-CA 2.98Å; L262-S315 PolarHBondContact O-N 3.29Å |
| 263 | D | 98.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | trans | -112.3 | 74.7 | 170.9 | -171.4 | 63.9 | 0 | 0 | 0 | 109.8 | C192 K198 S315 | C192-D263 WeakPolarHBondContact CB-O 3.45Å; K198-D263 HydrophobicContact CD-CB 4.27Å; K198-D263 WeakPolarHBondContact CE-OD2 3.15Å; K198-D263 VanDerWaalsContact NZ-CG 3.26Å; K198-D263 IonicContact NZ-OD1 3.39Å; K198-D263 IonicContact NZ-OD2 2.63Å; K198-D263 PolarHBondContact NZ-OD2 3.28Å; D263-S315 PolarHBondContact OD1-OG 2.96Å | ||
| 264 | P | 98.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | trans | -72 | 166.1 | -169.5 | 31.7 | -36.1 | 0 | 0 | 0 | 112.4 | L262 C266 Q296 M299 Y314 S315 | L262-P264 VanDerWaalsContact C-CD 3.46Å; L262-P264 HydrophobicContact CD1-CB 4.07Å; L262-P264 HydrophobicContact CD1-CG 4.31Å; L262-P264 HydrophobicContact CG-CG 4.39Å; L262-P264 VanDerWaalsContact O-CD 3.27Å; L262-P264 WeakPolarHBondContact O-CD 3.37Å; P264-C266 PolarHBondContact O-N 3.44Å; P264-C266 VanDerWaalsContact O-N 3.11Å; P264-Q296 HydrophobicContact CB-CG 4.19Å; P264-Q296 HydrophobicContact CG-CB 4.38Å; P264-Q296 HydrophobicContact CG-CG 3.69Å; P264-M299 HydrophobicContact CB-CE 4.3Å; P264-M299 HydrophobicContact CB-SD 3.72Å; P264-Y314 HydrophobicContact CG-CE2 3.84Å; P264-S315 VanDerWaalsContact CD-O 3.31Å; P264-S315 WeakPolarHBondContact CD-O 3.25Å | ||
| 265 | P | 96.5 | Very high | 88.3 | Confident | 66 Ų | 66 | 32.3 Ų | 32.3 | 43% | 0.429 | 17% | 0.174 | S | C | . | . | trans | -48.5 | 123.1 | 166.6 | -26.7 | 35.5 | 0 | 0 | 0 | 111 | Q296 | P265-Q296 PolarHBondContact O-NE2 2.84Å; P265-Q296 VanDerWaalsContact O-NE2 3.12Å | ||
| 266 | C | 95.5 | Very high | 85.6 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | trans | -122.7 | 165.9 | -175.9 | 108.2 | 0 | 0 | 0 | 0 | 109.4 | P264 G268 C317 E323 | P264-C266 PolarHBondContact O-N 3.44Å; P264-C266 VanDerWaalsContact O-N 3.11Å; C266-G268 PolarHBondContact O-N 3.42Å; C266-G268 VanDerWaalsContact O-N 3.15Å; C266-G268 VanDerWaalsContact SG-CA 3.52Å; C266-G268 PolarHBondContact SG-N 3.32Å; C266-C317 WeakPolarHBondContact CB-SG 3.48Å; C266-C317 WeakPolarHBondContact SG-CA 3.45Å; C266-C317 WeakPolarHBondContact SG-CB 2.99Å; C266-C317 PolarHBondContact SG-N 2.85Å; C266-C317 CovalentContact SG-SG 2.08Å; C266-C317 PolarHBondContact SG-SG 3.21Å; C266-E323 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 267 | S | 92.6 | Very high | 82.9 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | trans | -59.1 | -26 | 175.3 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | S269 R274 S318 E323 | S267-S269 WeakPolarHBondContact OG-CB 3.29Å; S267-S269 PolarHBondContact OG-N 3.47Å; S267-S269 PolarHBondContact OG-OG 3.41Å; S267-R274 PolarHBondContact O-NH1 2.91Å; S267-S318 PolarHBondContact OG-OG 2.95Å; S267-S318 VanDerWaalsContact OG-OG 3.1Å; S267-E323 WeakPolarHBondContact CB-OE2 3.35Å; S267-E323 PolarHBondContact N-OE1 3.2Å; S267-E323 PolarHBondContact OG-OE2 2.95Å | ||
| 268 | G | 90.4 | Very high | 80 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | 73.8 | 17.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C266 G270 I271 C317 | C266-G268 PolarHBondContact O-N 3.42Å; C266-G268 VanDerWaalsContact O-N 3.15Å; C266-G268 VanDerWaalsContact SG-CA 3.52Å; C266-G268 PolarHBondContact SG-N 3.32Å; G268-G270 PolarHBondContact O-N 3.06Å; G268-I271 WeakPolarHBondContact O-CG1 3.45Å; G268-I271 PolarHBondContact O-N 3.05Å; G268-C317 CarbonylContact C-O 3.55Å | ||
| 269 | S | 86.1 | Confident | 77.2 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.6 | -174.6 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | S267 L275 S318 I319 Y320 | S267-S269 WeakPolarHBondContact OG-CB 3.29Å; S267-S269 PolarHBondContact OG-N 3.47Å; S267-S269 PolarHBondContact OG-OG 3.41Å; S269-L275 VanDerWaalsContact O-CD2 3.23Å; S269-L275 WeakPolarHBondContact O-CD2 3.47Å; S269-S318 WeakPolarHBondContact OG-CA 3.47Å; S269-S318 PolarHBondContact OG-OG 3.14Å; S269-S318 VanDerWaalsContact OG-OG 3.06Å; S269-I319 PolarHBondContact OG-N 3.03Å; S269-Y320 VanDerWaalsContact CB-CE2 3.42Å; S269-Y320 WeakPolarHBondContact OG-CD2 3.37Å |
| 270 | G | 86.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G268 V272 C317 G374 | G268-G270 PolarHBondContact O-N 3.06Å; G270-V272 PolarHBondContact O-N 3.48Å; G270-C317 WeakPolarHBondContact CA-O 3.17Å; G270-C317 PolarHBondContact N-O 3.15Å; G270-G374 PolarHBondContact O-N 2.86Å |
| 271 | I | 83.6 | Confident | 71.3 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 26% | 0.256 | 24% | 0.236 | S | C | . | . | trans | -73.1 | 121.7 | -175.2 | -59.5 | 174.2 | 0 | 0 | 0 | 109.5 | G268 S273 R274 L275 C317 | G268-I271 WeakPolarHBondContact O-CG1 3.45Å; G268-I271 PolarHBondContact O-N 3.05Å; I271-S273 VanDerWaalsContact C-N 3.28Å; I271-S273 WeakPolarHBondContact CG2-OG 3.23Å; I271-S273 PolarHBondContact O-N 3.21Å; I271-R274 HydrophobicContact CB-CB 4.48Å; I271-R274 HydrophobicContact CB-CG 4.46Å; I271-R274 WeakPolarHBondContact O-CA 3.06Å; I271-R274 WeakPolarHBondContact O-CB 3.27Å; I271-R274 PolarHBondContact O-N 3.3Å; I271-L275 PolarHBondContact O-N 3.3Å; I271-C317 HydrophobicContact CG1-CB 4.4Å | ||
| 272 | V | 71.4 | Confident | 68.8 | Low | 22 Ų | 22 | 49.7 Ų | 49.7 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.3 | -38 | -173.9 | 173.4 | 0 | 0 | 0 | 0 | 113 | L85 V88 G270 R274 L275 G276 P367 N373 | L85-V272 HydrophobicContact CD2-CG1 3.9Å; L85-V272 WeakPolarHBondContact CD2-O 3.4Å; V88-V272 HydrophobicContact CB-CG2 4.37Å; V88-V272 HydrophobicContact CG2-CG2 3.85Å; G270-V272 PolarHBondContact O-N 3.48Å; V272-R274 PolarHBondContact O-N 3.13Å; V272-L275 PolarHBondContact O-N 3.36Å; V272-L275 VanDerWaalsContact O-N 3.15Å; V272-G276 PolarHBondContact O-N 2.94Å; V272-P367 HydrophobicContact CG2-CB 3.99Å; V272-P367 HydrophobicContact CG2-CG 3.48Å; V272-P367 VanDerWaalsContact CG2-CG 3.48Å; V272-N373 VanDerWaalsContact CG2-OD1 3.27Å; V272-N373 WeakPolarHBondContact CG2-OD1 3.41Å; V272-N373 PolarHBondContact N-OD1 3.46Å |
| 273 | S | 63.6 | Low | 66.8 | Low | 63 Ų | 63 | 57.9 Ų | 57.9 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 175.9 | 64.4 | 0 | 0 | 0 | 0 | 111 | I271 E277 | I271-S273 VanDerWaalsContact C-N 3.28Å; I271-S273 WeakPolarHBondContact CG2-OG 3.23Å; I271-S273 PolarHBondContact O-N 3.21Å; S273-E277 WeakPolarHBondContact O-CB 3.41Å; S273-E277 WeakPolarHBondContact O-CG 3.39Å; S273-E277 PolarHBondContact O-N 3.32Å |
| 274 | R | 53.9 | Low | 65.4 | Low | 122 Ų | 122 | 58 Ų | 58 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.3 | -31.6 | 175.4 | -67.8 | -169.8 | 178.6 | 177.6 | 2.8 | 113.7 | S267 I271 V272 G276 | S267-R274 PolarHBondContact O-NH1 2.91Å; I271-R274 HydrophobicContact CB-CB 4.48Å; I271-R274 HydrophobicContact CB-CG 4.46Å; I271-R274 WeakPolarHBondContact O-CA 3.06Å; I271-R274 WeakPolarHBondContact O-CB 3.27Å; I271-R274 PolarHBondContact O-N 3.3Å; V272-R274 PolarHBondContact O-N 3.13Å; R274-G276 PolarHBondContact O-N 2.98Å |
| 275 | L | 49.1 | Very low | 64.7 | Low | 79 Ų | 79 | 60.6 Ų | 60.6 | 41% | 0.414 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -23.3 | 179.6 | -74.6 | 173.2 | 0 | 0 | 0 | 113.9 | S269 I271 V272 P367 | S269-L275 VanDerWaalsContact O-CD2 3.23Å; S269-L275 WeakPolarHBondContact O-CD2 3.47Å; I271-L275 PolarHBondContact O-N 3.3Å; V272-L275 PolarHBondContact O-N 3.36Å; V272-L275 VanDerWaalsContact O-N 3.15Å; L275-P367 HydrophobicContact CD1-CG 3.73Å |
| 276 | G | 40.7 | Very low | 64.3 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -122.6 | -3.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L85 V272 R274 I278 | L85-G276 VanDerWaalsContact CD2-N 3.34Å; V272-G276 PolarHBondContact O-N 2.94Å; R274-G276 PolarHBondContact O-N 2.98Å; G276-I278 PolarHBondContact O-N 3.3Å |
| 277 | E | 40.7 | Very low | 64.1 | Low | 41 Ų | 41 | 70.9 Ų | 70.9 | 19% | 0.192 | 37% | 0.367 | C | S | . | . | trans | -63.1 | 103.6 | 157.1 | -85.7 | 163.8 | -163.8 | 0 | 0 | 107.8 | C7 S273 T279 | C7-E277 HydrophobicContact CB-CG 4.02Å; C7-E277 WeakPolarHBondContact SG-CG 3.32Å; S273-E277 WeakPolarHBondContact O-CB 3.41Å; S273-E277 WeakPolarHBondContact O-CG 3.39Å; S273-E277 PolarHBondContact O-N 3.32Å; E277-T279 HydrophobicContact CB-CG2 3.98Å; E277-T279 WeakPolarHBondContact CB-OG1 3.48Å; E277-T279 HydrophobicContact CG-CG2 4.02Å; E277-T279 PolarHBondContact O-N 2.73Å | ||
| 278 | I | 38.8 | Very low | 64 | Low | 92 Ų | 92 | 74.8 Ų | 74.8 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | trans | -65.3 | 15.2 | 157.7 | -45 | 172.2 | 0 | 0 | 0 | 109.7 | T11 G276 D280 | T11-I278 HydrophobicContact CG2-CD1 4.04Å; G276-I278 PolarHBondContact O-N 3.3Å; I278-D280 VanDerWaalsContact C-N 3.25Å; I278-D280 PolarHBondContact O-N 2.8Å | ||
| 279 | T | 39 | Very low | 64 | Low | 42 Ų | 42 | 75 Ų | 75 | 26% | 0.258 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -76.6 | 89.7 | 171.1 | 71.3 | 0 | 0 | 0 | 0 | 105.6 | C10 E277 T281 | C10-T279 HydrophobicContact CB-CG2 3.41Å; C10-T279 VanDerWaalsContact CB-CG2 3.41Å; E277-T279 HydrophobicContact CB-CG2 3.98Å; E277-T279 WeakPolarHBondContact CB-OG1 3.48Å; E277-T279 HydrophobicContact CG-CG2 4.02Å; E277-T279 PolarHBondContact O-N 2.73Å; T279-T281 PolarHBondContact O-N 3.25Å |
| 280 | D | 35.4 | Very low | 64.5 | Low | 134 Ų | 134 | 79.2 Ų | 79.2 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | trans | 43.4 | 70.7 | 167.4 | -52.4 | -37.5 | 0 | 0 | 0 | 110.7 | I278 E282 | I278-D280 VanDerWaalsContact C-N 3.25Å; I278-D280 PolarHBondContact O-N 2.8Å; D280-E282 HydrophobicContact CB-CG 4.38Å; D280-E282 PolarHBondContact O-N 2.97Å | ||
| 281 | T | 39.5 | Very low | 65 | Low | 106 Ų | 106 | 85.3 Ų | 85.3 | 65% | 0.65 | 43% | 0.425 | S | S | * | . | trans | -57.3 | 70 | 132.3 | 54.3 | 0 | 0 | 0 | 0 | 105.9 | T279 E283 | T279-T281 PolarHBondContact O-N 3.25Å; T281-E283 PolarHBondContact O-N 3.05Å | ||
| 282 | E | 45.5 | Very low | 65.7 | Low | 149 Ų | 149 | 84.1 Ų | 84.1 | 70% | 0.696 | 42% | 0.419 | S | S | * | . | trans | -46.1 | 96 | 131.5 | -77.5 | -177.7 | 175.2 | 0 | 0 | 101.7 | D280 I284 | D280-E282 HydrophobicContact CB-CG 4.38Å; D280-E282 PolarHBondContact O-N 2.97Å; E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 3.45Å | ||
| 283 | E | 57.6 | Low | 66.9 | Low | 172 Ų | 172 | 83.4 Ų | 83.4 | 80% | 0.804 | 42% | 0.416 | S | S | * | . | trans | -41.5 | 114.4 | 164.8 | -72.8 | -178.2 | 158.7 | 0 | 0 | 103.7 | T281 S285 | T281-E283 PolarHBondContact O-N 3.05Å; E283-S285 PolarHBondContact O-N 2.78Å | ||
| 284 | I | 69.7 | Low | 68.6 | Low | 29 Ų | 29 | 84.4 Ų | 84.4 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | trans | -56.3 | 111.9 | -172.7 | -73.2 | 146.4 | 0 | 0 | 0 | 104.5 | E282 E286 R288 L289 Y320 | E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 3.45Å; I284-E286 PolarHBondContact O-N 3.22Å; I284-R288 HydrophobicContact CG2-CB 4.35Å; I284-R288 HydrophobicContact CG2-CG 4.25Å; I284-L289 HydrophobicContact CG2-CB 4.16Å; I284-L289 HydrophobicContact CG2-CD1 4.3Å; I284-Y320 HydrophobicContact CD1-CD2 4.49Å; I284-Y320 HydrophobicContact CD1-CE2 3.61Å | ||
| 285 | S | 83.3 | Confident | 70.7 | Confident | 58 Ų | 58 | 81.6 Ų | 81.6 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | trans | -57.6 | 144 | -170.7 | 66.6 | 0 | 0 | 0 | 0 | 108.8 | E283 E287 R288 L289 | E283-S285 PolarHBondContact O-N 2.78Å; S285-E287 PolarHBondContact O-N 3.03Å; S285-E287 VanDerWaalsContact O-N 3.11Å; S285-R288 WeakPolarHBondContact O-CA 3.48Å; S285-R288 PolarHBondContact O-N 3.44Å; S285-R288 WeakPolarHBondContact OG-CB 3.41Å; S285-R288 PolarHBondContact OG-N 2.88Å; S285-R288 VanDerWaalsContact OG-N 3.17Å; S285-L289 PolarHBondContact O-N 2.89Å | ||
| 286 | E | 87.1 | Confident | 73.1 | Confident | 176 Ų | 176 | 77.9 Ų | 77.9 | 82% | 0.822 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -53.6 | -36.3 | 178.3 | -65.7 | -174 | 162.7 | 0 | 0 | 111 | I284 L289 L290 | I284-E286 PolarHBondContact O-N 3.22Å; E286-L289 PolarHBondContact O-N 3.27Å; E286-L290 VanDerWaalsContact O-CB 3.27Å; E286-L290 WeakPolarHBondContact O-CB 3.46Å; E286-L290 PolarHBondContact O-N 3.05Å |
| 287 | E | 91 | Very high | 75.9 | Confident | 126 Ų | 126 | 77.8 Ų | 77.8 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 175 | -159.7 | -155.3 | 166.1 | 0 | 0 | 112.4 | S285 L290 R291 | S285-E287 PolarHBondContact O-N 3.03Å; S285-E287 VanDerWaalsContact O-N 3.11Å; E287-L290 PolarHBondContact O-N 3.17Å; E287-R291 WeakPolarHBondContact O-CG 3.38Å; E287-R291 PolarHBondContact O-N 2.95Å; E287-R291 IonicContact OE1-NH1 3.78Å; E287-R291 PolarHBondContact OE1-NH1 3.47Å; E287-R291 IonicContact OE2-NH1 2.64Å; E287-R291 PolarHBondContact OE2-NH1 3.06Å |
| 288 | R | 91.2 | Very high | 78.6 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 31% | 0.313 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176 | 177.4 | 177.5 | 169.5 | -145.4 | -8.4 | 110.9 | I284 S285 L290 R291 L292 | I284-R288 HydrophobicContact CG2-CB 4.35Å; I284-R288 HydrophobicContact CG2-CG 4.25Å; S285-R288 WeakPolarHBondContact O-CA 3.48Å; S285-R288 PolarHBondContact O-N 3.44Å; S285-R288 WeakPolarHBondContact OG-CB 3.41Å; S285-R288 PolarHBondContact OG-N 2.88Å; S285-R288 VanDerWaalsContact OG-N 3.17Å; R288-L290 VanDerWaalsContact C-N 3.33Å; R288-R291 PolarHBondContact O-N 3.06Å; R288-L292 HydrophobicContact CG-CD1 4.13Å; R288-L292 WeakPolarHBondContact O-CG 3.25Å; R288-L292 PolarHBondContact O-N 3.26Å |
| 289 | L | 91.7 | Very high | 81.5 | Confident | 9 Ų | 9 | 78.4 Ų | 78.4 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 178.5 | -167.9 | 63.7 | 0 | 0 | 0 | 111 | I284 S285 E286 L292 A293 Y320 Q322 E323 | I284-L289 HydrophobicContact CG2-CB 4.16Å; I284-L289 HydrophobicContact CG2-CD1 4.3Å; S285-L289 PolarHBondContact O-N 2.89Å; E286-L289 PolarHBondContact O-N 3.27Å; L289-L292 PolarHBondContact O-N 3.13Å; L289-A293 WeakPolarHBondContact O-CB 3.42Å; L289-A293 PolarHBondContact O-N 3.37Å; L289-Y320 HydrophobicContact CD1-CD2 3.86Å; L289-Y320 HydrophobicContact CD1-CG 3.91Å; L289-Y320 HydrophobicContact CD2-CD1 4.06Å; L289-Y320 HydrophobicContact CD2-CG 4Å; L289-Q322 HydrophobicContact CD2-CB 3.79Å; L289-Q322 HydrophobicContact CD2-CG 3.77Å; L289-Q322 HydrophobicContact CG-CB 3.86Å; L289-Q322 HydrophobicContact CG-CG 4.32Å; L289-E323 HydrophobicContact CD1-CG 3.61Å; L289-E323 VanDerWaalsContact CD1-OE2 3.25Å; L289-E323 WeakPolarHBondContact CD1-OE2 3.22Å |
| 290 | L | 94.8 | Very high | 84.3 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 52% | 0.524 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.5 | -177.1 | 61.4 | 0 | 0 | 0 | 112.3 | E286 E287 R288 L292 A293 N294 | E286-L290 VanDerWaalsContact O-CB 3.27Å; E286-L290 WeakPolarHBondContact O-CB 3.46Å; E286-L290 PolarHBondContact O-N 3.05Å; E287-L290 PolarHBondContact O-N 3.17Å; R288-L290 VanDerWaalsContact C-N 3.33Å; L290-L292 VanDerWaalsContact C-N 3.34Å; L290-L292 PolarHBondContact O-N 3.47Å; L290-A293 PolarHBondContact O-N 2.95Å; L290-N294 WeakPolarHBondContact O-CB 3.31Å; L290-N294 VanDerWaalsContact O-CG 3.27Å; L290-N294 PolarHBondContact O-N 3.15Å; L290-N294 PolarHBondContact O-ND2 2.99Å; L290-N294 VanDerWaalsContact O-ND2 3.15Å |
| 291 | R | 97.2 | Very high | 87.3 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 174.4 | -73.6 | -168.5 | -54 | -100.5 | -1.3 | 111.9 | E287 R288 L295 | E287-R291 WeakPolarHBondContact O-CG 3.38Å; E287-R291 PolarHBondContact O-N 2.95Å; E287-R291 IonicContact OE1-NH1 3.78Å; E287-R291 PolarHBondContact OE1-NH1 3.47Å; E287-R291 IonicContact OE2-NH1 2.64Å; E287-R291 PolarHBondContact OE2-NH1 3.06Å; R288-R291 PolarHBondContact O-N 3.06Å; R291-L295 WeakPolarHBondContact O-CB 3.27Å; R291-L295 PolarHBondContact O-N 3.4Å |
| 292 | L | 97.8 | Very high | 90.2 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -49.8 | 176 | -73.1 | 167.8 | 0 | 0 | 0 | 111.1 | R288 L289 L290 N294 L295 Q296 E323 | R288-L292 HydrophobicContact CG-CD1 4.13Å; R288-L292 WeakPolarHBondContact O-CG 3.25Å; R288-L292 PolarHBondContact O-N 3.26Å; L289-L292 PolarHBondContact O-N 3.13Å; L290-L292 VanDerWaalsContact C-N 3.34Å; L290-L292 PolarHBondContact O-N 3.47Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 3.44Å; L292-L295 WeakPolarHBondContact O-CB 3.36Å; L292-L295 PolarHBondContact O-N 3.47Å; L292-L295 VanDerWaalsContact O-N 3.14Å; L292-Q296 WeakPolarHBondContact O-CB 3.47Å; L292-Q296 VanDerWaalsContact O-CD 3.25Å; L292-Q296 WeakPolarHBondContact O-CG 3.37Å; L292-Q296 PolarHBondContact O-N 3.11Å; L292-E323 HydrophobicContact CB-CG 4.48Å |
| 293 | A | 98.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L289 L290 L295 Q296 A297 Q322 V327 | L289-A293 WeakPolarHBondContact O-CB 3.42Å; L289-A293 PolarHBondContact O-N 3.37Å; L290-A293 PolarHBondContact O-N 2.95Å; A293-L295 PolarHBondContact O-N 3.33Å; A293-Q296 PolarHBondContact O-N 3.26Å; A293-A297 WeakPolarHBondContact O-CB 3.46Å; A293-A297 PolarHBondContact O-N 2.85Å; A293-Q322 WeakPolarHBondContact CB-O 3.43Å; A293-V327 HydrophobicContact CB-CG2 4.13Å |
| 294 | N | 98.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.9 | -77.5 | -34.1 | 0 | 0 | 0 | 112.6 | L290 L292 K298 | L290-N294 WeakPolarHBondContact O-CB 3.31Å; L290-N294 VanDerWaalsContact O-CG 3.27Å; L290-N294 PolarHBondContact O-N 3.15Å; L290-N294 PolarHBondContact O-ND2 2.99Å; L290-N294 VanDerWaalsContact O-ND2 3.15Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 3.44Å; N294-K298 WeakPolarHBondContact O-CG 3.32Å; N294-K298 PolarHBondContact O-N 3.24Å; N294-K298 VanDerWaalsContact O-N 3.1Å |
| 295 | L | 98.7 | Very high | 96 | Very high | 63 Ų | 63 | 56 Ų | 56 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 174.7 | 176.8 | 63.1 | 0 | 0 | 0 | 110.7 | L245 R291 L292 A293 A297 K298 M299 | L245-L295 HydrophobicContact CD1-CD1 3.87Å; R291-L295 WeakPolarHBondContact O-CB 3.27Å; R291-L295 PolarHBondContact O-N 3.4Å; L292-L295 WeakPolarHBondContact O-CB 3.36Å; L292-L295 PolarHBondContact O-N 3.47Å; L292-L295 VanDerWaalsContact O-N 3.14Å; A293-L295 PolarHBondContact O-N 3.33Å; L295-A297 PolarHBondContact O-N 2.72Å; L295-K298 WeakPolarHBondContact O-CB 3.4Å; L295-K298 PolarHBondContact O-N 3.46Å; L295-K298 VanDerWaalsContact O-N 3.13Å; L295-M299 HydrophobicContact CD1-CG 4.21Å; L295-M299 HydrophobicContact CD1-SD 4.14Å; L295-M299 HydrophobicContact CG-CG 4.44Å; L295-M299 HydrophobicContact CG-SD 3.97Å; L295-M299 WeakPolarHBondContact O-CG 3.41Å; L295-M299 PolarHBondContact O-N 3.41Å |
| 296 | Q | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 178.8 | -70.7 | 158.2 | 1.4 | 0 | 0 | 111.6 | P264 P265 L292 A293 K298 M299 L300 Y314 E323 V327 | P264-Q296 HydrophobicContact CB-CG 4.19Å; P264-Q296 HydrophobicContact CG-CB 4.38Å; P264-Q296 HydrophobicContact CG-CG 3.69Å; P265-Q296 PolarHBondContact O-NE2 2.84Å; P265-Q296 VanDerWaalsContact O-NE2 3.12Å; L292-Q296 WeakPolarHBondContact O-CB 3.47Å; L292-Q296 VanDerWaalsContact O-CD 3.25Å; L292-Q296 WeakPolarHBondContact O-CG 3.37Å; L292-Q296 PolarHBondContact O-N 3.11Å; A293-Q296 PolarHBondContact O-N 3.26Å; Q296-K298 PolarHBondContact O-N 2.65Å; Q296-M299 PolarHBondContact O-N 2.89Å; Q296-L300 WeakPolarHBondContact O-CB 3.48Å; Q296-L300 PolarHBondContact O-N 3.09Å; Q296-Y314 HydrophobicContact CB-CE2 4.19Å; Q296-Y314 WeakPolarHBondContact CB-OH 3.24Å; Q296-Y314 PolarHBondContact OE1-OH 2.8Å; Q296-E323 PolarHBondContact NE2-OE1 3.27Å; Q296-E323 PolarHBondContact OE1-O 3.45Å; Q296-V327 HydrophobicContact CB-CG1 4.22Å; Q296-V327 HydrophobicContact CB-CG2 4.2Å |
| 297 | A | 98.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A293 L295 K301 V327 V331 | A293-A297 WeakPolarHBondContact O-CB 3.46Å; A293-A297 PolarHBondContact O-N 2.85Å; L295-A297 PolarHBondContact O-N 2.72Å; A297-K301 VanDerWaalsContact O-CG 3.26Å; A297-K301 WeakPolarHBondContact O-CG 3.34Å; A297-K301 PolarHBondContact O-N 2.73Å; A297-K301 VanDerWaalsContact O-N 3.09Å; A297-V327 HydrophobicContact CB-CG1 4.14Å; A297-V331 HydrophobicContact CB-CG2 4.01Å |
| 298 | K | 98.8 | Very high | 97.6 | Very high | 137 Ų | 137 | 45.4 Ų | 45.4 | 60% | 0.596 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64 | -46.1 | 174.7 | -74.5 | 175.6 | -177.1 | -177.7 | 0 | 111.4 | L245 N294 L295 Q296 L300 K301 H302 | L245-K298 HydrophobicContact CD1-CB 4.44Å; L245-K298 HydrophobicContact CD2-CB 4.39Å; N294-K298 WeakPolarHBondContact O-CG 3.32Å; N294-K298 PolarHBondContact O-N 3.24Å; N294-K298 VanDerWaalsContact O-N 3.1Å; L295-K298 WeakPolarHBondContact O-CB 3.4Å; L295-K298 PolarHBondContact O-N 3.46Å; L295-K298 VanDerWaalsContact O-N 3.13Å; Q296-K298 PolarHBondContact O-N 2.65Å; K298-L300 PolarHBondContact O-N 2.89Å; K298-K301 PolarHBondContact O-N 3.35Å; K298-H302 WeakPolarHBondContact O-CB 3.17Å; K298-H302 PolarHBondContact O-N 3.15Å |
| 299 | M | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 178.8 | -65 | 178.4 | 83.3 | 0 | 0 | 111.4 | C192 F244 L245 L262 P264 L295 Q296 H302 A303 | C192-M299 VanDerWaalsContact SG-CE 3.53Å; F244-M299 HydrophobicContact CB-CE 4.02Å; F244-M299 HydrophobicContact CD1-CB 4.19Å; F244-M299 HydrophobicContact CD1-CE 3.7Å; F244-M299 HydrophobicContact CD1-CG 4.31Å; F244-M299 HydrophobicContact CE1-CB 4.27Å; F244-M299 WeakPolarHBondContact CE1-O 3.27Å; F244-M299 HydrophobicContact CG-CE 4.26Å; L245-M299 HydrophobicContact CD1-CG 4.17Å; L245-M299 HydrophobicContact CD2-CB 4.39Å; L245-M299 HydrophobicContact CD2-CG 3.9Å; L245-M299 HydrophobicContact CG-CG 3.97Å; L262-M299 HydrophobicContact CD1-CB 3.89Å; L262-M299 HydrophobicContact CD1-CE 3.96Å; L262-M299 HydrophobicContact CD1-SD 4.5Å; L262-M299 VanDerWaalsContact CD2-C 3.48Å; L262-M299 HydrophobicContact CD2-CB 3.89Å; P264-M299 HydrophobicContact CB-CE 4.3Å; P264-M299 HydrophobicContact CB-SD 3.72Å; L295-M299 HydrophobicContact CD1-CG 4.21Å; L295-M299 HydrophobicContact CD1-SD 4.14Å; L295-M299 HydrophobicContact CG-CG 4.44Å; L295-M299 HydrophobicContact CG-SD 3.97Å; L295-M299 WeakPolarHBondContact O-CG 3.41Å; L295-M299 PolarHBondContact O-N 3.41Å; Q296-M299 PolarHBondContact O-N 2.89Å; M299-H302 WeakPolarHBondContact O-CB 3.45Å; M299-H302 PolarHBondContact O-N 2.81Å; M299-A303 PolarHBondContact O-N 2.83Å |
| 300 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 179.4 | -176.6 | 55.8 | 0 | 0 | 0 | 112.3 | L262 Q296 K298 H302 A303 C304 Y314 V327 V331 F380 | L262-L300 HydrophobicContact CD2-CB 3.79Å; L262-L300 HydrophobicContact CD2-CD1 4.05Å; L262-L300 VanDerWaalsContact CD2-N 3.32Å; Q296-L300 WeakPolarHBondContact O-CB 3.48Å; Q296-L300 PolarHBondContact O-N 3.09Å; K298-L300 PolarHBondContact O-N 2.89Å; L300-H302 VanDerWaalsContact C-N 3.29Å; L300-H302 PolarHBondContact O-N 3.24Å; L300-A303 PolarHBondContact O-N 3.39Å; L300-C304 PolarHBondContact O-N 3.44Å; L300-C304 VanDerWaalsContact O-N 3.09Å; L300-C304 PolarHBondContact O-SG 2.84Å; L300-Y314 HydrophobicContact CB-CD2 4.47Å; L300-Y314 HydrophobicContact CD1-CD2 4.29Å; L300-Y314 HydrophobicContact CD1-CG 4.47Å; L300-Y314 HydrophobicContact CD2-CD2 4.13Å; L300-Y314 HydrophobicContact CD2-CG 4.19Å; L300-V327 HydrophobicContact CD2-CG1 4.2Å; L300-V331 HydrophobicContact CB-CG1 4.4Å; L300-V331 HydrophobicContact CB-CG2 4.32Å; L300-V331 HydrophobicContact CD2-CB 3.86Å; L300-V331 HydrophobicContact CD2-CG1 3.96Å; L300-V331 HydrophobicContact CD2-CG2 4Å; L300-V331 HydrophobicContact CG-CB 4.26Å; L300-V331 HydrophobicContact CG-CG1 3.82Å; L300-V331 HydrophobicContact CG-CG2 4.34Å; L300-F380 HydrophobicContact CD1-CD2 4.05Å; L300-F380 HydrophobicContact CD1-CE2 4.03Å; L300-F380 HydrophobicContact CD2-CD2 4.45Å; L300-F380 HydrophobicContact CD2-CE2 3.62Å; L300-F380 HydrophobicContact CD2-CZ 3.81Å; L300-F380 HydrophobicContact CG-CE2 4.25Å |
| 301 | K | 98.7 | Very high | 98.4 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.1 | -40 | 171.3 | -69.9 | 171.6 | -164.8 | 178.5 | 0 | 111.6 | A297 K298 C304 S305 H330 V331 | A297-K301 VanDerWaalsContact O-CG 3.26Å; A297-K301 WeakPolarHBondContact O-CG 3.34Å; A297-K301 PolarHBondContact O-N 2.73Å; A297-K301 VanDerWaalsContact O-N 3.09Å; K298-K301 PolarHBondContact O-N 3.35Å; K301-C304 PolarHBondContact O-N 3.03Å; K301-S305 PolarHBondContact O-N 2.85Å; K301-H330 PolarHBondContact NZ-NE2 3.4Å; K301-V331 HydrophobicContact CG-CG1 3.87Å; K301-V331 HydrophobicContact CG-CG2 4.08Å |
| 302 | H | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 13% | 0.13 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -44.8 | 177.8 | -173.6 | 69.2 | 0 | 0 | 0 | 112 | F244 L245 L247 K298 M299 L300 C304 S305 F306 | F244-H302 HydrophobicContact CE1-CB 4.34Å; F244-H302 AromaticContact CE1-CD2 3.67Å; F244-H302 AromaticContact CZ-CD2 3.68Å; F244-H302 PolarHBondContact O-CD2 2.93Å; F244-H302 VanDerWaalsContact O-CD2 3.31Å; F244-H302 PolarHBondContact O-NE2 3.06Å; F244-H302 VanDerWaalsContact O-NE2 3.12Å; L245-H302 HydrophobicContact CD2-CB 3.75Å; L247-H302 PolarHBondContact O-CE1 3.05Å; L247-H302 PolarHBondContact O-NE2 2.93Å; K298-H302 WeakPolarHBondContact O-CB 3.17Å; K298-H302 PolarHBondContact O-N 3.15Å; M299-H302 WeakPolarHBondContact O-CB 3.45Å; M299-H302 PolarHBondContact O-N 2.81Å; L300-H302 VanDerWaalsContact C-N 3.29Å; L300-H302 PolarHBondContact O-N 3.24Å; H302-C304 VanDerWaalsContact C-N 3.28Å; H302-C304 PolarHBondContact O-N 2.97Å; H302-S305 WeakPolarHBondContact O-CB 3.19Å; H302-S305 PolarHBondContact O-N 3Å; H302-S305 PolarHBondContact O-OG 3.2Å; H302-F306 AromaticContact NE2-CE2 3.83Å; H302-F306 WeakPolarHBondContact O-CD2 3.18Å |
| 303 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56 | -43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F244 I260 L262 M299 L300 S305 F306 C312 | F244-A303 HydrophobicContact CE1-CB 4.22Å; F244-A303 HydrophobicContact CZ-CB 3.87Å; I260-A303 HydrophobicContact CD1-CB 4.2Å; I260-A303 WeakPolarHBondContact CD1-O 3.49Å; I260-A303 HydrophobicContact CG2-CB 3.89Å; L262-A303 HydrophobicContact CD2-CB 4.33Å; M299-A303 PolarHBondContact O-N 2.83Å; L300-A303 PolarHBondContact O-N 3.39Å; A303-S305 PolarHBondContact O-N 3.23Å; A303-S305 VanDerWaalsContact O-N 3.14Å; A303-F306 WeakPolarHBondContact O-CD2 3.48Å; A303-F306 PolarHBondContact O-N 2.92Å; A303-C312 VanDerWaalsContact CB-SG 3.59Å |
| 304 | C | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 8 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | L300 K301 H302 L335 F339 | L300-C304 PolarHBondContact O-N 3.44Å; L300-C304 VanDerWaalsContact O-N 3.09Å; L300-C304 PolarHBondContact O-SG 2.84Å; K301-C304 PolarHBondContact O-N 3.03Å; H302-C304 VanDerWaalsContact C-N 3.28Å; H302-C304 PolarHBondContact O-N 2.97Å; C304-L335 HydrophobicContact CB-CD1 3.56Å; C304-L335 HydrophobicContact CB-CD2 4.07Å; C304-L335 HydrophobicContact CB-CG 4.49Å; C304-L335 VanDerWaalsContact SG-CD1 3.5Å; C304-F339 HydrophobicContact CB-CD2 4.35Å; C304-F339 HydrophobicContact CB-CE1 4.32Å; C304-F339 HydrophobicContact CB-CE2 3.83Å; C304-F339 HydrophobicContact CB-CZ 3.82Å; C304-F339 WeakPolarHBondContact O-CE2 3.27Å |
| 305 | S | 98 | Very high | 98.6 | Very high | 58 Ų | 58 | 31 Ų | 31 | 41% | 0.406 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -6.2 | 175.2 | 76.8 | 0 | 0 | 0 | 0 | 113.9 | P249 K301 H302 A303 | P249-S305 WeakPolarHBondContact CG-OG 3.49Å; K301-S305 PolarHBondContact O-N 2.85Å; H302-S305 WeakPolarHBondContact O-CB 3.19Å; H302-S305 PolarHBondContact O-N 3Å; H302-S305 PolarHBondContact O-OG 3.2Å; A303-S305 PolarHBondContact O-N 3.23Å; A303-S305 VanDerWaalsContact O-N 3.14Å |
| 306 | F | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -63.6 | 127.5 | 175.1 | -78.9 | -111.5 | 0 | 0 | 0 | 110.5 | L189 F244 P249 F254 V257 I260 H302 A303 N308 I309 | L189-F306 HydrophobicContact CD1-CE1 3.87Å; L189-F306 HydrophobicContact CD1-CZ 3.97Å; F244-F306 HydrophobicContact CE2-CE2 4.04Å; F244-F306 HydrophobicContact CE2-CZ 4.14Å; F244-F306 HydrophobicContact CZ-CE2 4.18Å; P249-F306 HydrophobicContact CB-CB 4.3Å; P249-F306 HydrophobicContact CB-CD1 3.99Å; P249-F306 HydrophobicContact CB-CD2 3.8Å; P249-F306 HydrophobicContact CB-CE1 4.23Å; P249-F306 HydrophobicContact CB-CE2 4.03Å; P249-F306 HydrophobicContact CB-CG 3.77Å; P249-F306 HydrophobicContact CB-CZ 4.24Å; P249-F306 HydrophobicContact CG-CD2 4.03Å; P249-F306 HydrophobicContact CG-CE2 3.95Å; P249-F306 HydrophobicContact CG-CZ 4.37Å; F254-F306 HydrophobicContact CB-CD1 3.94Å; F254-F306 HydrophobicContact CB-CE1 3.67Å; F254-F306 HydrophobicContact CD1-CE1 4.18Å; F254-F306 HydrophobicContact CD2-CE1 4.36Å; F254-F306 AromaticContact CG-CE1 3.82Å; F254-F306 HydrophobicContact CG-CE1 3.82Å; V257-F306 HydrophobicContact CB-CD1 4.29Å; V257-F306 HydrophobicContact CG1-CD1 4.28Å; I260-F306 HydrophobicContact CD1-CB 4.06Å; I260-F306 HydrophobicContact CD1-CD1 4.15Å; I260-F306 HydrophobicContact CD1-CD2 3.53Å; I260-F306 HydrophobicContact CD1-CE2 3.98Å; I260-F306 HydrophobicContact CD1-CG 3.64Å; I260-F306 HydrophobicContact CD1-CZ 4.46Å; H302-F306 AromaticContact NE2-CE2 3.83Å; H302-F306 WeakPolarHBondContact O-CD2 3.18Å; A303-F306 WeakPolarHBondContact O-CD2 3.48Å; A303-F306 PolarHBondContact O-N 2.92Å; F306-N308 VanDerWaalsContact C-N 3.26Å; F306-N308 PolarHBondContact O-N 3.36Å; F306-N308 VanDerWaalsContact O-N 3.14Å; F306-I309 HydrophobicContact CB-CB 4.02Å; F306-I309 HydrophobicContact CB-CG2 4.46Å; F306-I309 WeakPolarHBondContact O-CG2 3.13Å; F306-I309 PolarHBondContact O-N 3.4Å |
| 307 | P | 97.8 | Very high | 98.5 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 32% | 0.318 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.5 | -167.8 | -28 | 35.4 | 0 | 0 | 0 | 115.4 | P249 R250 R382 | P249-P307 WeakPolarHBondContact O-CD 3.13Å; R250-P307 HydrophobicContact CG-CG 4.04Å; P307-R382 PolarHBondContact O-NH1 3.06Å; P307-R382 PolarHBondContact O-NH2 3.06Å |
| 308 | N | 98 | Very high | 98.2 | Very high | 87 Ų | 87 | 29 Ų | 29 | 47% | 0.465 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 11.2 | -176.3 | -69.4 | -25.6 | 0 | 0 | 0 | 113.4 | Q255 V257 T258 F306 Q310 | Q255-N308 WeakPolarHBondContact O-CB 3.47Å; Q255-N308 PolarHBondContact O-ND2 2.84Å; V257-N308 CarbonylContact O-C 3.56Å; T258-N308 WeakPolarHBondContact CA-O 3.01Å; F306-N308 VanDerWaalsContact C-N 3.26Å; F306-N308 PolarHBondContact O-N 3.36Å; F306-N308 VanDerWaalsContact O-N 3.14Å; N308-Q310 PolarHBondContact O-N 3.06Å |
| 309 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -56.1 | 135.2 | 172.9 | -168.8 | 61.4 | 0 | 0 | 0 | 109.2 | V257 T258 I260 F306 R311 C312 F339 R382 | V257-I309 PolarHBondContact O-N 3.16Å; T258-I309 WeakPolarHBondContact O-CD1 3.47Å; I260-I309 HydrophobicContact CB-CD1 3.85Å; I260-I309 HydrophobicContact CD1-CD1 3.68Å; I260-I309 HydrophobicContact CD1-CG1 4.33Å; I260-I309 HydrophobicContact CG1-CD1 3.56Å; F306-I309 HydrophobicContact CB-CB 4.02Å; F306-I309 HydrophobicContact CB-CG2 4.46Å; F306-I309 WeakPolarHBondContact O-CG2 3.13Å; F306-I309 PolarHBondContact O-N 3.4Å; I309-R311 VanDerWaalsContact CD1-O 3.29Å; I309-R311 WeakPolarHBondContact CD1-O 3.44Å; I309-C312 HydrophobicContact CG1-CB 4.44Å; I309-F339 HydrophobicContact CG2-CE1 3.88Å; I309-F339 HydrophobicContact CG2-CZ 3.49Å; I309-F339 VanDerWaalsContact CG2-CZ 3.49Å; I309-R382 WeakPolarHBondContact O-CD 3.47Å; I309-R382 PolarHBondContact O-NH1 2.97Å | ||
| 310 | Q | 98.6 | Very high | 97.6 | Very high | 105 Ų | 105 | 29.1 Ų | 29.1 | 49% | 0.491 | 15% | 0.149 | S | C | . | . | trans | -113.1 | -39.9 | 173.5 | -65.5 | 176.2 | -23.9 | 0 | 0 | 109.2 | T258 N308 E381 R382 | T258-Q310 HydrophobicContact CG2-CG 4.44Å; T258-Q310 PolarHBondContact O-N 2.87Å; N308-Q310 PolarHBondContact O-N 3.06Å; Q310-E381 CarbonylContact O-C 3.54Å; Q310-E381 WeakPolarHBondContact O-CA 3.49Å; Q310-R382 PolarHBondContact O-N 3.32Å | ||
| 311 | R | 98.7 | Very high | 97.4 | Very high | 29 Ų | 29 | 32 Ų | 32 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 126.3 | -177.1 | -174.1 | 172.1 | -73.1 | 158.8 | -21.3 | 112.7 | L180 E181 T258 H259 I260 I309 V379 F380 E381 | L180-R311 WeakPolarHBondContact O-CD 3.14Å; L180-R311 PolarHBondContact O-NH1 3.39Å; E181-R311 VanDerWaalsContact CB-NH1 3.35Å; E181-R311 IonicContact OE2-CZ 3.14Å; E181-R311 IonicContact OE2-NH1 3.03Å; E181-R311 PolarHBondContact OE2-NH1 3.27Å; E181-R311 IonicContact OE2-NH2 3.75Å; E181-R311 PolarHBondContact OE2-NH2 2.75Å; T258-R311 PolarHBondContact O-N 2.69Å; H259-R311 VanDerWaalsContact CA-O 3.32Å; H259-R311 WeakPolarHBondContact CA-O 3.39Å; I260-R311 PolarHBondContact N-O 3.19Å; I309-R311 VanDerWaalsContact CD1-O 3.29Å; I309-R311 WeakPolarHBondContact CD1-O 3.44Å; R311-V379 HydrophobicContact CG-CG1 3.72Å; R311-F380 WeakPolarHBondContact CA-O 3.33Å; R311-E381 IonicContact CZ-OE1 3.74Å; R311-E381 IonicContact NE-OE1 3.34Å; R311-E381 PolarHBondContact NE-OE1 3.05Å; R311-E381 IonicContact NH2-OE1 3.04Å; R311-E381 PolarHBondContact NH2-OE1 3.25Å |
| 312 | C | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.1 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | I260 A303 I309 F380 | I260-C312 CarbonylContact O-C 3.53Å; I260-C312 WeakPolarHBondContact O-CA 3.16Å; A303-C312 VanDerWaalsContact CB-SG 3.59Å; I309-C312 HydrophobicContact CG1-CB 4.44Å; C312-F380 HydrophobicContact CB-CB 4.34Å; C312-F380 PolarHBondContact N-O 3.32Å; C312-F380 PolarHBondContact O-N 3.01Å |
| 313 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.3 | 174.8 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | P176 A179 L180 I260 L261 L262 V377 V379 | P176-V313 HydrophobicContact CB-CG1 3.84Å; P176-V313 WeakPolarHBondContact O-CG1 3.49Å; A179-V313 HydrophobicContact CB-CG1 4.12Å; A179-V313 HydrophobicContact CB-CG2 4.13Å; L180-V313 HydrophobicContact CB-CG2 4.36Å; L180-V313 HydrophobicContact CD2-CB 4.03Å; L180-V313 HydrophobicContact CD2-CG2 3.5Å; L180-V313 HydrophobicContact CG-CB 4.3Å; L180-V313 HydrophobicContact CG-CG2 3.69Å; I260-V313 PolarHBondContact O-N 2.67Å; L261-V313 HydrophobicContact CD1-CB 4.12Å; L261-V313 HydrophobicContact CD1-CG1 4.13Å; L262-V313 PolarHBondContact N-O 2.64Å; V313-V377 HydrophobicContact CG1-CG1 3.68Å; V313-V379 HydrophobicContact CG1-CG2 4.47Å; V313-V379 HydrophobicContact CG2-CG1 4.46Å; V313-V379 HydrophobicContact CG2-CG2 4.05Å |
| 314 | Y | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.9 | 172.4 | 177.6 | -102.4 | 0 | 0 | 0 | 109.9 | L262 P264 Q296 L300 T316 E323 V327 V328 F376 V377 A378 | L262-Y314 HydrophobicContact CD2-CD2 4.02Å; L262-Y314 HydrophobicContact CG-CD2 4.11Å; L262-Y314 WeakPolarHBondContact O-CA 2.98Å; P264-Y314 HydrophobicContact CG-CE2 3.84Å; Q296-Y314 HydrophobicContact CB-CE2 4.19Å; Q296-Y314 WeakPolarHBondContact CB-OH 3.24Å; Q296-Y314 PolarHBondContact OE1-OH 2.8Å; L300-Y314 HydrophobicContact CB-CD2 4.47Å; L300-Y314 HydrophobicContact CD1-CD2 4.29Å; L300-Y314 HydrophobicContact CD1-CG 4.47Å; L300-Y314 HydrophobicContact CD2-CD2 4.13Å; L300-Y314 HydrophobicContact CD2-CG 4.19Å; Y314-T316 HydrophobicContact CE1-CG2 3.68Å; Y314-T316 HydrophobicContact CE2-CG2 4.41Å; Y314-T316 VanDerWaalsContact OH-CG2 3.23Å; Y314-T316 WeakPolarHBondContact OH-CG2 3.01Å; Y314-E323 PolarHBondContact OH-O 2.91Å; Y314-V327 HydrophobicContact CE1-CG1 4.49Å; Y314-V327 HydrophobicContact CE2-CG1 4.37Å; Y314-V328 HydrophobicContact CD1-CG2 3.86Å; Y314-V328 HydrophobicContact CE1-CG2 4.21Å; Y314-F376 HydrophobicContact CD1-CD1 4.16Å; Y314-F376 AromaticContact CD1-CE1 3.95Å; Y314-F376 HydrophobicContact CD1-CE1 3.95Å; Y314-F376 HydrophobicContact CE1-CD1 4.15Å; Y314-F376 HydrophobicContact CE1-CE1 4.11Å; Y314-V377 CarbonylContact O-C 3.47Å; Y314-V377 WeakPolarHBondContact O-CA 3.47Å; Y314-A378 PolarHBondContact N-O 3.17Å; Y314-A378 PolarHBondContact O-N 2.79Å |
| 315 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.5 | 173.2 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | L262 D263 P264 F376 | L262-S315 PolarHBondContact O-N 3.29Å; D263-S315 PolarHBondContact OD1-OG 2.96Å; P264-S315 VanDerWaalsContact CD-O 3.31Å; P264-S315 WeakPolarHBondContact CD-O 3.25Å; S315-F376 CarbonylContact C-O 3.55Å; S315-F376 WeakPolarHBondContact CA-O 3.35Å; S315-F376 WeakPolarHBondContact CB-O 3.45Å |
| 316 | T | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.5 | 169.5 | 88.6 | 0 | 0 | 0 | 0 | 111.7 | Y314 S318 E323 N324 F375 F376 | Y314-T316 HydrophobicContact CE1-CG2 3.68Å; Y314-T316 HydrophobicContact CE2-CG2 4.41Å; Y314-T316 VanDerWaalsContact OH-CG2 3.23Å; Y314-T316 WeakPolarHBondContact OH-CG2 3.01Å; T316-S318 VanDerWaalsContact C-N 3.28Å; T316-S318 WeakPolarHBondContact OG1-CB 3.49Å; T316-S318 PolarHBondContact OG1-N 3.36Å; T316-E323 WeakPolarHBondContact CG2-O 3.07Å; T316-N324 WeakPolarHBondContact CG2-OD1 3.31Å; T316-N324 PolarHBondContact OG1-OD1 3.06Å; T316-F375 CarbonylContact O-C 3.59Å; T316-F375 VanDerWaalsContact O-CA 3.26Å; T316-F375 WeakPolarHBondContact O-CA 3.31Å; T316-F375 WeakPolarHBondContact O-CD2 3.4Å; T316-F375 WeakPolarHBondContact O-CE2 3.29Å; T316-F375 VanDerWaalsContact O-CG 3.27Å; T316-F375 WeakPolarHBondContact O-CG 3.45Å; T316-F376 PolarHBondContact N-O 3.15Å; T316-F376 PolarHBondContact O-N 3.42Å |
| 317 | C | 95.5 | Very high | 97.3 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -89.4 | 22.9 | 167.6 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | C266 G268 G270 I271 G374 F375 | C266-C317 WeakPolarHBondContact CB-SG 3.48Å; C266-C317 WeakPolarHBondContact SG-CA 3.45Å; C266-C317 WeakPolarHBondContact SG-CB 2.99Å; C266-C317 PolarHBondContact SG-N 2.85Å; C266-C317 CovalentContact SG-SG 2.08Å; C266-C317 PolarHBondContact SG-SG 3.21Å; G268-C317 CarbonylContact C-O 3.55Å; G270-C317 WeakPolarHBondContact CA-O 3.17Å; G270-C317 PolarHBondContact N-O 3.15Å; I271-C317 HydrophobicContact CG1-CB 4.4Å; C317-G374 CarbonylContact C-O 3.55Å; C317-F375 HydrophobicContact CB-CD2 4.19Å; C317-F375 HydrophobicContact CB-CE2 4.09Å |
| 318 | S | 93.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -105.1 | 146.8 | -174.4 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | S267 S269 T316 Y320 E323 N324 | S267-S318 PolarHBondContact OG-OG 2.95Å; S267-S318 VanDerWaalsContact OG-OG 3.1Å; S269-S318 WeakPolarHBondContact OG-CA 3.47Å; S269-S318 PolarHBondContact OG-OG 3.14Å; S269-S318 VanDerWaalsContact OG-OG 3.06Å; T316-S318 VanDerWaalsContact C-N 3.28Å; T316-S318 WeakPolarHBondContact OG1-CB 3.49Å; T316-S318 PolarHBondContact OG1-N 3.36Å; S318-Y320 PolarHBondContact OG-N 2.93Å; S318-Y320 VanDerWaalsContact OG-N 3.1Å; S318-E323 VanDerWaalsContact CB-OE2 3.23Å; S318-E323 WeakPolarHBondContact CB-OE2 3.44Å; S318-E323 PolarHBondContact OG-OE2 3.13Å; S318-N324 PolarHBondContact O-ND2 3.17Å | ||
| 319 | I | 90.8 | Very high | 97.4 | Very high | 75 Ų | 75 | 25.8 Ų | 25.8 | 39% | 0.385 | 12% | 0.123 | S | C | . | . | trans | -89.3 | -16.3 | 168.2 | 64 | 170.2 | 0 | 0 | 0 | 112.6 | S269 R364 | S269-I319 PolarHBondContact OG-N 3.03Å; I319-R364 PolarHBondContact O-NH1 2.91Å | ||
| 320 | Y | 93.4 | Very high | 97.4 | Very high | 74 Ų | 74 | 29.6 Ų | 29.6 | 29% | 0.29 | 14% | 0.14 | S | C | . | . | trans | -77.1 | 128.4 | -174.2 | -65.9 | -72.4 | 0 | 0 | 0 | 111.3 | S269 I284 L289 S318 Q322 E323 N324 | S269-Y320 VanDerWaalsContact CB-CE2 3.42Å; S269-Y320 WeakPolarHBondContact OG-CD2 3.37Å; I284-Y320 HydrophobicContact CD1-CD2 4.49Å; I284-Y320 HydrophobicContact CD1-CE2 3.61Å; L289-Y320 HydrophobicContact CD1-CD2 3.86Å; L289-Y320 HydrophobicContact CD1-CG 3.91Å; L289-Y320 HydrophobicContact CD2-CD1 4.06Å; L289-Y320 HydrophobicContact CD2-CG 4Å; S318-Y320 PolarHBondContact OG-N 2.93Å; S318-Y320 VanDerWaalsContact OG-N 3.1Å; Y320-Q322 PolarHBondContact O-N 3.36Å; Y320-E323 PolarHBondContact O-N 3.18Å; Y320-N324 PolarHBondContact O-N 3.37Å; Y320-N324 PolarHBondContact O-ND2 2.97Å; Y320-N324 VanDerWaalsContact O-ND2 3.16Å | ||
| 321 | E | 95.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 24.6 Ų | 24.6 | 28% | 0.28 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -62.6 | -27.2 | 175.5 | 56.3 | 179.4 | -138.3 | 0 | 0 | 113.2 | E323 N324 E325 M326 H353 Y356 | E321-E323 PolarHBondContact O-N 2.98Å; E321-N324 CarbonylContact O-C 3.58Å; E321-N324 PolarHBondContact O-N 2.97Å; E321-E325 PolarHBondContact O-N 3.29Å; E321-M326 VanDerWaalsContact O-CB 3.28Å; E321-M326 WeakPolarHBondContact O-CB 3.46Å; E321-M326 PolarHBondContact O-N 2.88Å; E321-H353 IonicContact OE2-CE1 2.8Å; E321-H353 PolarHBondContact OE2-CE1 3.32Å; E321-H353 IonicContact OE2-ND1 2.84Å; E321-H353 PolarHBondContact OE2-ND1 3.39Å; E321-Y356 HydrophobicContact CB-CE2 4.18Å; E321-Y356 HydrophobicContact CG-CE2 4.5Å; E321-Y356 PolarHBondContact OE1-OH 3.33Å |
| 322 | Q | 96.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 24 Ų | 24 | 30% | 0.304 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -58.8 | -31.8 | 174.9 | -64.9 | 87.4 | -20.7 | 0 | 0 | 112.8 | L289 A293 Y320 M326 V327 | L289-Q322 HydrophobicContact CD2-CB 3.79Å; L289-Q322 HydrophobicContact CD2-CG 3.77Å; L289-Q322 HydrophobicContact CG-CB 3.86Å; L289-Q322 HydrophobicContact CG-CG 4.32Å; A293-Q322 WeakPolarHBondContact CB-O 3.43Å; Y320-Q322 PolarHBondContact O-N 3.36Å; Q322-M326 HydrophobicContact CB-CE 4.48Å; Q322-M326 HydrophobicContact CB-SD 4.3Å; Q322-M326 HydrophobicContact CG-CE 3.91Å; Q322-M326 HydrophobicContact CG-SD 4.24Å; Q322-V327 WeakPolarHBondContact O-CG2 3.24Å |
| 323 | E | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -94.6 | -6.6 | 176.1 | -66.7 | -179.5 | 90.6 | 0 | 0 | 112.5 | C266 S267 L289 L292 Q296 Y314 T316 S318 Y320 E321 | C266-E323 WeakPolarHBondContact CA-OE1 3.41Å; S267-E323 WeakPolarHBondContact CB-OE2 3.35Å; S267-E323 PolarHBondContact N-OE1 3.2Å; S267-E323 PolarHBondContact OG-OE2 2.95Å; L289-E323 HydrophobicContact CD1-CG 3.61Å; L289-E323 VanDerWaalsContact CD1-OE2 3.25Å; L289-E323 WeakPolarHBondContact CD1-OE2 3.22Å; L292-E323 HydrophobicContact CB-CG 4.48Å; Q296-E323 PolarHBondContact NE2-OE1 3.27Å; Q296-E323 PolarHBondContact OE1-O 3.45Å; Y314-E323 PolarHBondContact OH-O 2.91Å; T316-E323 WeakPolarHBondContact CG2-O 3.07Å; S318-E323 VanDerWaalsContact CB-OE2 3.23Å; S318-E323 WeakPolarHBondContact CB-OE2 3.44Å; S318-E323 PolarHBondContact OG-OE2 3.13Å; Y320-E323 PolarHBondContact O-N 3.18Å; E321-E323 PolarHBondContact O-N 2.98Å |
| 324 | N | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -104.2 | -170.4 | -67.7 | -24.5 | 0 | 0 | 0 | 110.3 | T316 S318 Y320 E321 M326 V327 V328 R364 F376 | T316-N324 WeakPolarHBondContact CG2-OD1 3.31Å; T316-N324 PolarHBondContact OG1-OD1 3.06Å; S318-N324 PolarHBondContact O-ND2 3.17Å; Y320-N324 PolarHBondContact O-N 3.37Å; Y320-N324 PolarHBondContact O-ND2 2.97Å; Y320-N324 VanDerWaalsContact O-ND2 3.16Å; E321-N324 CarbonylContact O-C 3.58Å; E321-N324 PolarHBondContact O-N 2.97Å; N324-M326 VanDerWaalsContact C-N 3.26Å; N324-M326 PolarHBondContact O-N 3.12Å; N324-V327 PolarHBondContact O-N 3.49Å; N324-V327 VanDerWaalsContact O-N 3.08Å; N324-V328 WeakPolarHBondContact O-CG2 3.19Å; N324-V328 PolarHBondContact O-N 2.92Å; N324-R364 PolarHBondContact ND2-NH2 3.27Å; N324-F376 HydrophobicContact CB-CB 4.19Å; N324-F376 HydrophobicContact CB-CD1 3.82Å; N324-F376 HydrophobicContact CB-CD2 3.69Å; N324-F376 HydrophobicContact CB-CE1 4.05Å; N324-F376 HydrophobicContact CB-CE2 3.91Å; N324-F376 HydrophobicContact CB-CG 3.63Å; N324-F376 HydrophobicContact CB-CZ 4.08Å; N324-F376 VanDerWaalsContact CG-CB 3.42Å; N324-F376 VanDerWaalsContact CG-CG 3.44Å; N324-F376 VanDerWaalsContact OD1-CB 3.29Å; N324-F376 WeakPolarHBondContact OD1-CB 3.28Å; N324-F376 WeakPolarHBondContact OD1-CG 3.42Å |
| 325 | E | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -36.6 | -175.4 | -66.7 | 85.6 | 167.3 | 0 | 0 | 112.7 | E321 V327 V328 D329 G352 H353 Y356 R364 F376 | E321-E325 PolarHBondContact O-N 3.29Å; E325-V327 VanDerWaalsContact C-N 3.35Å; E325-V327 PolarHBondContact O-N 2.86Å; E325-V328 PolarHBondContact O-N 2.99Å; E325-D329 WeakPolarHBondContact O-CB 3.26Å; E325-D329 PolarHBondContact O-N 3.02Å; E325-G352 WeakPolarHBondContact OE1-CA 3.17Å; E325-H353 IonicContact OE1-CD2 2.85Å; E325-H353 IonicContact OE1-CG 2.66Å; E325-H353 PolarHBondContact OE1-N 3.38Å; E325-Y356 HydrophobicContact CB-CD1 3.6Å; E325-Y356 HydrophobicContact CB-CD2 3.61Å; E325-Y356 HydrophobicContact CB-CE1 4.06Å; E325-Y356 HydrophobicContact CB-CE2 4.08Å; E325-Y356 HydrophobicContact CB-CG 3.34Å; E325-Y356 HydrophobicContact CG-CD2 4.09Å; E325-Y356 HydrophobicContact CG-CG 4.08Å; E325-R364 IonicContact OE1-CZ 3.52Å; E325-R364 IonicContact OE1-NE 3.46Å; E325-R364 PolarHBondContact OE1-NE 2.83Å; E325-R364 IonicContact OE1-NH2 2.73Å; E325-R364 PolarHBondContact OE1-NH2 3.23Å; E325-R364 IonicContact OE2-CZ 2.78Å; E325-R364 IonicContact OE2-NE 2.69Å; E325-R364 PolarHBondContact OE2-NE 3.32Å; E325-R364 IonicContact OE2-NH2 3.98Å; E325-R364 PolarHBondContact OE2-NH2 3.5Å; E325-F376 HydrophobicContact CG-CE2 4.01Å; E325-F376 HydrophobicContact CG-CZ 4.39Å |
| 326 | M | 98.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.5 | -174.2 | -177.4 | -68.1 | 0 | 0 | 112.1 | E321 Q322 N324 H330 Y356 | E321-M326 VanDerWaalsContact O-CB 3.28Å; E321-M326 WeakPolarHBondContact O-CB 3.46Å; E321-M326 PolarHBondContact O-N 2.88Å; Q322-M326 HydrophobicContact CB-CE 4.48Å; Q322-M326 HydrophobicContact CB-SD 4.3Å; Q322-M326 HydrophobicContact CG-CE 3.91Å; Q322-M326 HydrophobicContact CG-SD 4.24Å; N324-M326 VanDerWaalsContact C-N 3.26Å; N324-M326 PolarHBondContact O-N 3.12Å; M326-H330 WeakPolarHBondContact O-CB 3.17Å; M326-H330 PolarHBondContact O-N 3.3Å; M326-H330 VanDerWaalsContact O-N 3.14Å; M326-Y356 HydrophobicContact CB-CE1 4.1Å |
| 327 | V | 98.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 110 | A293 Q296 A297 L300 Y314 Q322 N324 E325 H330 V331 | A293-V327 HydrophobicContact CB-CG2 4.13Å; Q296-V327 HydrophobicContact CB-CG1 4.22Å; Q296-V327 HydrophobicContact CB-CG2 4.2Å; A297-V327 HydrophobicContact CB-CG1 4.14Å; L300-V327 HydrophobicContact CD2-CG1 4.2Å; Y314-V327 HydrophobicContact CE1-CG1 4.49Å; Y314-V327 HydrophobicContact CE2-CG1 4.37Å; Q322-V327 WeakPolarHBondContact O-CG2 3.24Å; N324-V327 PolarHBondContact O-N 3.49Å; N324-V327 VanDerWaalsContact O-N 3.08Å; E325-V327 VanDerWaalsContact C-N 3.35Å; E325-V327 PolarHBondContact O-N 2.86Å; V327-H330 PolarHBondContact O-N 2.69Å; V327-V331 HydrophobicContact CG1-CG2 4.42Å; V327-V331 WeakPolarHBondContact O-CB 3.11Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.47Å; V327-V331 PolarHBondContact O-N 3.21Å |
| 328 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -50.8 | -176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | Y314 N324 E325 H330 V331 A332 L341 C358 F376 A378 F380 | Y314-V328 HydrophobicContact CD1-CG2 3.86Å; Y314-V328 HydrophobicContact CE1-CG2 4.21Å; N324-V328 WeakPolarHBondContact O-CG2 3.19Å; N324-V328 PolarHBondContact O-N 2.92Å; E325-V328 PolarHBondContact O-N 2.99Å; V328-H330 PolarHBondContact O-N 2.75Å; V328-V331 PolarHBondContact O-N 3.29Å; V328-A332 WeakPolarHBondContact O-CB 3.47Å; V328-A332 PolarHBondContact O-N 3.42Å; V328-L341 HydrophobicContact CG1-CD1 3.98Å; V328-L341 HydrophobicContact CG1-CD2 3.79Å; V328-C358 HydrophobicContact CB-CB 4.36Å; V328-C358 HydrophobicContact CG1-CB 3.53Å; V328-F376 HydrophobicContact CG2-CE1 3.62Å; V328-F376 HydrophobicContact CG2-CZ 3.87Å; V328-A378 HydrophobicContact CG1-CB 4.11Å; V328-A378 HydrophobicContact CG2-CB 3.69Å; V328-F380 HydrophobicContact CB-CZ 4.48Å; V328-F380 HydrophobicContact CG1-CE2 4.11Å; V328-F380 HydrophobicContact CG1-CZ 3.83Å; V328-F380 HydrophobicContact CG2-CE2 4.49Å |
| 329 | D | 98.6 | Very high | 97 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.102 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 177.4 | -83.6 | 12.1 | 0 | 0 | 0 | 110.6 | E325 V331 A332 Q333 Y356 E357 C358 | E325-D329 WeakPolarHBondContact O-CB 3.26Å; E325-D329 PolarHBondContact O-N 3.02Å; D329-V331 VanDerWaalsContact C-N 3.29Å; D329-V331 PolarHBondContact O-N 2.75Å; D329-A332 PolarHBondContact O-N 3.25Å; D329-Q333 WeakPolarHBondContact O-CG 3.47Å; D329-Q333 PolarHBondContact O-N 2.87Å; D329-Y356 HydrophobicContact CB-CD1 4.48Å; D329-Y356 WeakPolarHBondContact OD2-CA 3.21Å; D329-Y356 VanDerWaalsContact OD2-CB 3.29Å; D329-Y356 WeakPolarHBondContact OD2-CB 3.19Å; D329-Y356 WeakPolarHBondContact OD2-CD1 3.29Å; D329-E357 PolarHBondContact OD2-N 3.08Å; D329-C358 WeakPolarHBondContact OD1-CB 3.48Å; D329-C358 PolarHBondContact OD1-N 3.1Å; D329-C358 PolarHBondContact OD1-SG 2.78Å |
| 330 | H | 98.5 | Very high | 97.3 | Very high | 79 Ų | 79 | 49.6 Ų | 49.6 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.4 | -42.8 | 178.7 | 176.7 | 78.4 | 0 | 0 | 0 | 112.1 | K301 M326 V327 V328 K334 | K301-H330 PolarHBondContact NZ-NE2 3.4Å; M326-H330 WeakPolarHBondContact O-CB 3.17Å; M326-H330 PolarHBondContact O-N 3.3Å; M326-H330 VanDerWaalsContact O-N 3.14Å; V327-H330 PolarHBondContact O-N 2.69Å; V328-H330 PolarHBondContact O-N 2.75Å; H330-K334 WeakPolarHBondContact O-CG 3.31Å |
| 331 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -77.9 | -40.7 | -179.3 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | A297 L300 K301 V327 V328 D329 Q333 K334 L335 F380 | A297-V331 HydrophobicContact CB-CG2 4.01Å; L300-V331 HydrophobicContact CB-CG1 4.4Å; L300-V331 HydrophobicContact CB-CG2 4.32Å; L300-V331 HydrophobicContact CD2-CB 3.86Å; L300-V331 HydrophobicContact CD2-CG1 3.96Å; L300-V331 HydrophobicContact CD2-CG2 4Å; L300-V331 HydrophobicContact CG-CB 4.26Å; L300-V331 HydrophobicContact CG-CG1 3.82Å; L300-V331 HydrophobicContact CG-CG2 4.34Å; K301-V331 HydrophobicContact CG-CG1 3.87Å; K301-V331 HydrophobicContact CG-CG2 4.08Å; V327-V331 HydrophobicContact CG1-CG2 4.42Å; V327-V331 WeakPolarHBondContact O-CB 3.11Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.47Å; V327-V331 PolarHBondContact O-N 3.21Å; V328-V331 PolarHBondContact O-N 3.29Å; D329-V331 VanDerWaalsContact C-N 3.29Å; D329-V331 PolarHBondContact O-N 2.75Å; V331-Q333 VanDerWaalsContact C-N 3.29Å; V331-Q333 PolarHBondContact O-N 3.16Å; V331-K334 CarbonylContact O-C 3.58Å; V331-K334 WeakPolarHBondContact O-CA 3.41Å; V331-K334 WeakPolarHBondContact O-CB 3.28Å; V331-K334 PolarHBondContact O-N 3.22Å; V331-L335 HydrophobicContact CG1-CD1 3.64Å; V331-L335 HydrophobicContact CG1-CG 3.94Å; V331-L335 WeakPolarHBondContact O-CG 3.34Å; V331-L335 PolarHBondContact O-N 2.82Å; V331-L335 VanDerWaalsContact O-N 3.08Å; V331-F380 HydrophobicContact CG1-CE1 4.46Å |
| 332 | A | 98.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 46 Ų | 46 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.8 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V328 D329 K334 L335 L336 L341 F380 | V328-A332 WeakPolarHBondContact O-CB 3.47Å; V328-A332 PolarHBondContact O-N 3.42Å; D329-A332 PolarHBondContact O-N 3.25Å; A332-K334 PolarHBondContact O-N 3.04Å; A332-L335 CarbonylContact O-C 3.59Å; A332-L335 PolarHBondContact O-N 3.32Å; A332-L336 PolarHBondContact O-N 3.4Å; A332-L336 VanDerWaalsContact O-N 3.12Å; A332-L341 HydrophobicContact CB-CD1 4.08Å; A332-L341 HydrophobicContact CB-CG 4.35Å; A332-F380 HydrophobicContact CB-CE1 3.87Å; A332-F380 HydrophobicContact CB-CZ 4.37Å |
| 333 | Q | 97.9 | Very high | 97.8 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.6 | -30.3 | 174.9 | -72.5 | 178.2 | -2.7 | 0 | 0 | 113.7 | D329 V331 | D329-Q333 WeakPolarHBondContact O-CG 3.47Å; D329-Q333 PolarHBondContact O-N 2.87Å; V331-Q333 VanDerWaalsContact C-N 3.29Å; V331-Q333 PolarHBondContact O-N 3.16Å |
| 334 | K | 97.4 | Very high | 97.7 | Very high | 131 Ų | 131 | 49.1 Ų | 49.1 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -85.6 | -12.8 | 177.1 | -59.5 | -59.4 | 179.1 | -169 | 0 | 113.5 | H330 V331 A332 | H330-K334 WeakPolarHBondContact O-CG 3.31Å; V331-K334 CarbonylContact O-C 3.58Å; V331-K334 WeakPolarHBondContact O-CA 3.41Å; V331-K334 WeakPolarHBondContact O-CB 3.28Å; V331-K334 PolarHBondContact O-N 3.22Å; A332-K334 PolarHBondContact O-N 3.04Å |
| 335 | L | 96.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -106.8 | 2.8 | -179.3 | -60.9 | -176.3 | 0 | 0 | 0 | 112.9 | C304 V331 A332 G337 R338 F339 F380 | C304-L335 HydrophobicContact CB-CD1 3.56Å; C304-L335 HydrophobicContact CB-CD2 4.07Å; C304-L335 HydrophobicContact CB-CG 4.49Å; C304-L335 VanDerWaalsContact SG-CD1 3.5Å; V331-L335 HydrophobicContact CG1-CD1 3.64Å; V331-L335 HydrophobicContact CG1-CG 3.94Å; V331-L335 WeakPolarHBondContact O-CG 3.34Å; V331-L335 PolarHBondContact O-N 2.82Å; V331-L335 VanDerWaalsContact O-N 3.08Å; A332-L335 CarbonylContact O-C 3.59Å; A332-L335 PolarHBondContact O-N 3.32Å; L335-G337 PolarHBondContact O-N 3.34Å; L335-R338 PolarHBondContact O-N 2.91Å; L335-F339 HydrophobicContact CB-CB 4.12Å; L335-F339 HydrophobicContact CB-CD2 4.1Å; L335-F339 HydrophobicContact CB-CG 4.5Å; L335-F339 HydrophobicContact CD1-CB 4.47Å; L335-F339 HydrophobicContact CD1-CD2 4.15Å; L335-F339 HydrophobicContact CD1-CG 4.35Å; L335-F339 HydrophobicContact CD2-CD2 4.41Å; L335-F339 HydrophobicContact CG-CD2 4.45Å; L335-F339 PolarHBondContact O-N 3.41Å; L335-F380 HydrophobicContact CD1-CD1 3.87Å; L335-F380 HydrophobicContact CD1-CE1 4.1Å |
| 336 | L | 93.9 | Very high | 97.5 | Very high | 133 Ų | 133 | 54.9 Ų | 54.9 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 134.8 | 177.1 | -69.6 | 174.9 | 0 | 0 | 0 | 112.2 | A332 R338 | A332-L336 PolarHBondContact O-N 3.4Å; A332-L336 VanDerWaalsContact O-N 3.12Å; L336-R338 PolarHBondContact O-N 3.47Å |
| 337 | G | 93.5 | Very high | 97.1 | Very high | 69 Ų | 69 | 57.4 Ų | 57.4 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L335 | L335-G337 PolarHBondContact O-N 3.34Š|
| 338 | R | 97.2 | Very high | 97 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | -33.1 | 169.6 | -63.9 | -171.7 | -67 | 120.9 | -4.2 | 112.2 | L335 L336 R382 D383 | L335-R338 PolarHBondContact O-N 2.91Å; L336-R338 PolarHBondContact O-N 3.47Å; R338-R382 WeakPolarHBondContact O-CA 3.41Å; R338-R382 WeakPolarHBondContact O-CG 3.35Å; R338-D383 VanDerWaalsContact C-OD2 3.26Å; R338-D383 PolarHBondContact N-OD2 3.15Å; R338-D383 PolarHBondContact O-N 2.86Å |
| 339 | F | 98.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149 | 178.2 | -65.2 | -100.8 | 0 | 0 | 0 | 110.5 | C304 I309 L335 F380 E381 R382 D383 | C304-F339 HydrophobicContact CB-CD2 4.35Å; C304-F339 HydrophobicContact CB-CE1 4.32Å; C304-F339 HydrophobicContact CB-CE2 3.83Å; C304-F339 HydrophobicContact CB-CZ 3.82Å; C304-F339 WeakPolarHBondContact O-CE2 3.27Å; I309-F339 HydrophobicContact CG2-CE1 3.88Å; I309-F339 HydrophobicContact CG2-CZ 3.49Å; I309-F339 VanDerWaalsContact CG2-CZ 3.49Å; L335-F339 HydrophobicContact CB-CB 4.12Å; L335-F339 HydrophobicContact CB-CD2 4.1Å; L335-F339 HydrophobicContact CB-CG 4.5Å; L335-F339 HydrophobicContact CD1-CB 4.47Å; L335-F339 HydrophobicContact CD1-CD2 4.15Å; L335-F339 HydrophobicContact CD1-CG 4.35Å; L335-F339 HydrophobicContact CD2-CD2 4.41Å; L335-F339 HydrophobicContact CG-CD2 4.45Å; L335-F339 PolarHBondContact O-N 3.41Å; F339-F380 HydrophobicContact CB-CD1 4.44Å; F339-F380 HydrophobicContact CD1-CB 4.15Å; F339-E381 CarbonylContact C-O 3.32Å; F339-E381 WeakPolarHBondContact CA-O 3.38Å; F339-E381 WeakPolarHBondContact CB-O 3.45Å; F339-R382 HydrophobicContact CD1-CB 4.04Å; F339-R382 HydrophobicContact CD1-CG 4.44Å; F339-R382 HydrophobicContact CE1-CB 3.8Å; F339-R382 HydrophobicContact CE1-CG 4.11Å; F339-R382 HydrophobicContact CE2-CG 4.49Å; F339-R382 HydrophobicContact CZ-CB 4.32Å; F339-R382 HydrophobicContact CZ-CG 4.14Å; F339-D383 PolarHBondContact N-OD2 3.14Å |
| 340 | H | 98.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 63.7 Ų | 63.7 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 159.8 | 167.4 | 63.3 | -85.1 | 0 | 0 | 0 | 110.9 | E381 D383 | H340-E381 PolarHBondContact N-O 2.91Å; H340-E381 PolarHBondContact ND1-O 3.27Å; H340-E381 IonicContact NE2-OE2 2.76Å; H340-E381 PolarHBondContact O-N 3.16Å; H340-D383 IonicContact CE1-OD1 3.27Å; H340-D383 IonicContact CG-OD1 3.62Å; H340-D383 PolarHBondContact N-OD1 3.06Å; H340-D383 IonicContact ND1-OD1 3.54Å; H340-D383 PolarHBondContact ND1-OD1 3.48Å |
| 341 | L | 98.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.8 | 174.2 | -71.4 | 171.1 | 0 | 0 | 0 | 110.1 | V328 A332 C358 F361 V379 F380 | V328-L341 HydrophobicContact CG1-CD1 3.98Å; V328-L341 HydrophobicContact CG1-CD2 3.79Å; A332-L341 HydrophobicContact CB-CD1 4.08Å; A332-L341 HydrophobicContact CB-CG 4.35Å; L341-C358 HydrophobicContact CD1-CB 3.41Å; L341-C358 VanDerWaalsContact CD1-CB 3.41Å; L341-F361 HydrophobicContact CB-CB 3.88Å; L341-F361 HydrophobicContact CB-CD1 4.15Å; L341-F361 HydrophobicContact CB-CG 3.96Å; L341-F361 WeakPolarHBondContact O-CD1 3.39Å; L341-V379 WeakPolarHBondContact CA-O 3.25Å; L341-F380 HydrophobicContact CD2-CD1 3.96Å; L341-F380 HydrophobicContact CD2-CD2 4.05Å; L341-F380 HydrophobicContact CD2-CE1 3.74Å; L341-F380 HydrophobicContact CD2-CE2 3.8Å; L341-F380 HydrophobicContact CD2-CG 4.12Å; L341-F380 HydrophobicContact CD2-CZ 3.66Å; L341-F380 HydrophobicContact CG-CE1 4.49Å |
| 342 | V | 97.8 | Very high | 96.5 | Very high | 33 Ų | 33 | 62 Ų | 62 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.6 | 175.3 | 179 | 0 | 0 | 0 | 0 | 109.5 | V344 V379 E381 | V342-V344 VanDerWaalsContact C-N 3.26Å; V342-V344 PolarHBondContact O-N 2.82Å; V342-V379 HydrophobicContact CB-CB 4.17Å; V342-V379 HydrophobicContact CB-CG1 4.17Å; V342-V379 HydrophobicContact CG2-CG1 4.31Å; V342-V379 PolarHBondContact N-O 2.87Å; V342-E381 HydrophobicContact CG2-CB 3.43Å; V342-E381 VanDerWaalsContact CG2-CB 3.43Å; V342-E381 HydrophobicContact CG2-CG 4.31Å |
| 343 | R | 98.2 | Very high | 96.4 | Very high | 124 Ų | 124 | 64.5 Ų | 64.5 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | trans | -70 | 85.6 | 170.8 | -169.8 | 177.6 | -164.6 | 172.6 | 11.2 | 110.1 | L345 D360 F361 | R343-L345 PolarHBondContact O-N 3.25Å; R343-D360 IonicContact CZ-OD1 3.79Å; R343-D360 IonicContact CZ-OD2 3.45Å; R343-D360 IonicContact NE-OD1 3.02Å; R343-D360 IonicContact NE-OD2 2.85Å; R343-D360 PolarHBondContact NE-OD2 2.88Å; R343-D360 IonicContact NH1-OD2 3.78Å; R343-D360 VanDerWaalsContact NH2-CG 3.34Å; R343-D360 IonicContact NH2-OD1 3.93Å; R343-D360 PolarHBondContact NH2-OD1 2.73Å; R343-D360 IonicContact NH2-OD2 2.71Å; R343-D360 PolarHBondContact NH2-OD2 2.88Å; R343-F361 HydrophobicContact CB-CD1 4.36Å | ||
| 344 | V | 96.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | trans | -63.2 | 134.7 | -173 | 70.2 | 0 | 0 | 0 | 0 | 111.6 | A179 V342 R351 F361 I363 V377 V379 | A179-V344 HydrophobicContact CB-CG2 3.44Å; A179-V344 VanDerWaalsContact CB-CG2 3.44Å; V342-V344 VanDerWaalsContact C-N 3.26Å; V342-V344 PolarHBondContact O-N 2.82Å; V344-R351 PolarHBondContact O-NH1 3.09Å; V344-R351 PolarHBondContact O-NH2 3.26Å; V344-F361 WeakPolarHBondContact CG1-O 3.25Å; V344-F361 PolarHBondContact N-O 2.85Å; V344-F361 VanDerWaalsContact N-O 3.12Å; V344-I363 HydrophobicContact CG1-CB 4.26Å; V344-I363 HydrophobicContact CG1-CG1 3.89Å; V344-I363 HydrophobicContact CG1-CG2 3.78Å; V344-V377 HydrophobicContact CG2-CG1 4.28Å; V344-V379 HydrophobicContact CB-CG2 3.74Å; V344-V379 HydrophobicContact CG2-CG2 3.48Å; V344-V379 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 345 | L | 96.2 | Very high | 96.2 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 42.5 | 71.1 | 176.2 | -62 | 172.2 | 0 | 0 | 0 | 112.7 | L175 M178 R343 E347 W348 R351 I363 | L175-L345 HydrophobicContact CB-CD1 3.99Å; L175-L345 HydrophobicContact CD2-CD1 4.09Å; M178-L345 HydrophobicContact CB-CD2 4.42Å; R343-L345 PolarHBondContact O-N 3.25Å; L345-E347 PolarHBondContact O-N 3.29Å; L345-W348 HydrophobicContact CB-CB 4.11Å; L345-W348 WeakPolarHBondContact O-CA 3.19Å; L345-W348 VanDerWaalsContact O-CB 3.25Å; L345-W348 WeakPolarHBondContact O-CB 3.41Å; L345-W348 PolarHBondContact O-N 3.16Å; L345-R351 PolarHBondContact O-NH1 3.25Å; L345-I363 HydrophobicContact CD1-CD1 3.89Å |
| 346 | P | 95.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 65.8 Ų | 65.8 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.7 | -172.2 | -27.9 | 35.3 | 0 | 0 | 0 | 115.4 | W348 | P346-W348 PolarHBondContact O-N 3.39Š|
| 347 | E | 91.7 | Very high | 96.4 | Very high | 136 Ų | 136 | 66.3 Ų | 66.3 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20 | 175.6 | -65.7 | -49.1 | 122.6 | 0 | 0 | 113.4 | L345 K349 | L345-E347 PolarHBondContact O-N 3.29Å; E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 IonicContact OE2-NZ 3.08Å |
| 348 | W | 95.4 | Very high | 96.6 | Very high | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | trans | -78.3 | 91.1 | 176.8 | -164 | -89.9 | 0 | 0 | 0 | 111.9 | H142 L175 L345 P346 H350 R351 I363 R364 C365 D370 | H142-W348 AromaticContact CE1-CE3 3.86Å; H142-W348 AromaticContact CE1-CZ3 3.53Å; H142-W348 AromaticContact ND1-CE3 3.85Å; H142-W348 AromaticContact ND1-CZ3 3.29Å; H142-W348 VanDerWaalsContact ND1-CZ3 3.29Å; H142-W348 WeakPolarHBondContact ND1-CZ3 3.44Å; L175-W348 HydrophobicContact CD1-CD2 4.32Å; L175-W348 HydrophobicContact CD1-CE3 4.3Å; L175-W348 HydrophobicContact CD1-CH2 4.04Å; L175-W348 HydrophobicContact CD1-CZ2 4.08Å; L175-W348 HydrophobicContact CD1-CZ3 4.13Å; L175-W348 HydrophobicContact CD2-CZ3 4.35Å; L345-W348 HydrophobicContact CB-CB 4.11Å; L345-W348 WeakPolarHBondContact O-CA 3.19Å; L345-W348 VanDerWaalsContact O-CB 3.25Å; L345-W348 WeakPolarHBondContact O-CB 3.41Å; L345-W348 PolarHBondContact O-N 3.16Å; P346-W348 PolarHBondContact O-N 3.39Å; W348-H350 VanDerWaalsContact CD1-O 3.28Å; W348-H350 PolarHBondContact O-N 3.44Å; W348-H350 VanDerWaalsContact O-N 3.11Å; W348-R351 WeakPolarHBondContact O-CD 3.32Å; W348-R351 PolarHBondContact O-NH1 2.76Å; W348-I363 HydrophobicContact CB-CG2 3.98Å; W348-I363 HydrophobicContact CG-CB 4.38Å; W348-I363 HydrophobicContact CG-CD1 4.18Å; W348-I363 HydrophobicContact CG-CG2 4.1Å; W348-R364 PolarHBondContact NE1-O 3.42Å; W348-C365 HydrophobicContact CZ2-CB 4.48Å; W348-C365 VanDerWaalsContact CZ2-SG 3.6Å; W348-D370 HydrophobicContact CH2-CB 4.09Å; W348-D370 HydrophobicContact CZ2-CB 3.7Å | ||
| 349 | K | 94.2 | Very high | 96.6 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | trans | -61.9 | -12.8 | -177.6 | -51.2 | -56.4 | 175.7 | -164.3 | 0 | 117.4 | R122 E347 R351 R369 | R122-K349 VanDerWaalsContact NH1-N 3.1Å; E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 IonicContact OE2-NZ 3.08Å; K349-R351 PolarHBondContact O-N 2.79Å; K349-R369 PolarHBondContact O-NH2 3.36Å | ||
| 350 | H | 96.3 | Very high | 96.6 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 12% | 0.116 | 32% | 0.316 | C | S | . | . | trans | -90.5 | 96.5 | 177.8 | -173.8 | -178.8 | 0 | 0 | 0 | 108.9 | W348 I363 R364 R369 D370 | W348-H350 VanDerWaalsContact CD1-O 3.28Å; W348-H350 PolarHBondContact O-N 3.44Å; W348-H350 VanDerWaalsContact O-N 3.11Å; H350-I363 WeakPolarHBondContact O-CA 3.22Å; H350-R364 VanDerWaalsContact CB-O 3.27Å; H350-R364 WeakPolarHBondContact CB-O 3.36Å; H350-R364 PolarHBondContact ND1-O 3.45Å; H350-R364 VanDerWaalsContact ND1-O 3.16Å; H350-R364 PolarHBondContact O-N 3.31Å; H350-R369 PolarHBondContact CD2-NH1 3.28Å; H350-D370 IonicContact CE1-OD2 3.27Å; H350-D370 IonicContact CG-OD2 2.75Å; H350-D370 IonicContact ND1-OD2 3.11Å; H350-D370 PolarHBondContact ND1-OD2 3.19Å | ||
| 351 | R | 97.9 | Very high | 96.6 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -87.9 | 175.4 | -178.3 | -52.1 | -47.8 | -60.7 | -178 | 3.4 | 112 | V344 L345 W348 K349 D360 F361 C362 I363 | V344-R351 PolarHBondContact O-NH1 3.09Å; V344-R351 PolarHBondContact O-NH2 3.26Å; L345-R351 PolarHBondContact O-NH1 3.25Å; W348-R351 WeakPolarHBondContact O-CD 3.32Å; W348-R351 PolarHBondContact O-NH1 2.76Å; K349-R351 PolarHBondContact O-N 2.79Å; R351-D360 PolarHBondContact NE-O 3.36Å; R351-D360 PolarHBondContact NH2-O 3.3Å; R351-F361 PolarHBondContact NH2-O 3.24Å; R351-C362 WeakPolarHBondContact CA-O 3.28Å; R351-C362 VanDerWaalsContact CZ-O 3.22Å; R351-C362 PolarHBondContact NE-O 2.75Å; R351-C362 PolarHBondContact NH2-O 2.99Å; R351-C362 VanDerWaalsContact NH2-O 3.16Å; R351-I363 VanDerWaalsContact CZ-CG2 3.42Å |
| 352 | G | 97 | Very high | 96.6 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | trans | -66.8 | 179.8 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | E325 G359 C362 | E325-G352 WeakPolarHBondContact OE1-CA 3.17Å; G352-G359 WeakPolarHBondContact CA-O 3.38Å; G352-G359 PolarHBondContact N-O 3.05Å; G352-C362 PolarHBondContact N-O 3.23Å; G352-C362 VanDerWaalsContact N-O 3.1Å | ||
| 353 | H | 95.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | trans | -70.1 | 129.3 | 178.8 | -67.1 | -178.1 | 0 | 0 | 0 | 111 | E321 E325 S355 Y356 G359 | E321-H353 IonicContact OE2-CE1 2.8Å; E321-H353 PolarHBondContact OE2-CE1 3.32Å; E321-H353 IonicContact OE2-ND1 2.84Å; E321-H353 PolarHBondContact OE2-ND1 3.39Å; E325-H353 IonicContact OE1-CD2 2.85Å; E325-H353 IonicContact OE1-CG 2.66Å; E325-H353 PolarHBondContact OE1-N 3.38Å; H353-S355 PolarHBondContact O-N 2.65Å; H353-S355 VanDerWaalsContact O-N 3.17Å; H353-Y356 HydrophobicContact CB-CD2 3.83Å; H353-Y356 HydrophobicContact CB-CE2 4.28Å; H353-Y356 PolarHBondContact O-N 2.91Å; H353-G359 WeakPolarHBondContact O-CA 3.45Å | ||
| 354 | S | 95.1 | Very high | 96.6 | Very high | 126 Ų | 126 | 53.3 Ų | 53.3 | 88% | 0.881 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -8.5 | -176.9 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 355 | S | 95.5 | Very high | 96.6 | Very high | 98 Ų | 98 | 53.3 Ų | 53.3 | 69% | 0.685 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9.1 | 173 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | H353 | H353-S355 PolarHBondContact O-N 2.65Å; H353-S355 VanDerWaalsContact O-N 3.17Å |
| 356 | Y | 98 | Very high | 96.5 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 15% | 0.153 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -112 | 146.3 | -180 | -68.6 | -93.2 | 0 | 0 | 0 | 110.1 | E321 E325 M326 D329 H353 C358 G359 | E321-Y356 HydrophobicContact CB-CE2 4.18Å; E321-Y356 HydrophobicContact CG-CE2 4.5Å; E321-Y356 PolarHBondContact OE1-OH 3.33Å; E325-Y356 HydrophobicContact CB-CD1 3.6Å; E325-Y356 HydrophobicContact CB-CD2 3.61Å; E325-Y356 HydrophobicContact CB-CE1 4.06Å; E325-Y356 HydrophobicContact CB-CE2 4.08Å; E325-Y356 HydrophobicContact CB-CG 3.34Å; E325-Y356 HydrophobicContact CG-CD2 4.09Å; E325-Y356 HydrophobicContact CG-CG 4.08Å; M326-Y356 HydrophobicContact CB-CE1 4.1Å; D329-Y356 HydrophobicContact CB-CD1 4.48Å; D329-Y356 WeakPolarHBondContact OD2-CA 3.21Å; D329-Y356 VanDerWaalsContact OD2-CB 3.29Å; D329-Y356 WeakPolarHBondContact OD2-CB 3.19Å; D329-Y356 WeakPolarHBondContact OD2-CD1 3.29Å; H353-Y356 HydrophobicContact CB-CD2 3.83Å; H353-Y356 HydrophobicContact CB-CE2 4.28Å; H353-Y356 PolarHBondContact O-N 2.91Å; Y356-C358 VanDerWaalsContact C-N 3.28Å; Y356-C358 PolarHBondContact O-N 3.09Å; Y356-G359 PolarHBondContact O-N 2.96Å |
| 357 | E | 96.4 | Very high | 96.2 | Very high | 145 Ų | 145 | 49.5 Ų | 49.5 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -37.3 | -178.2 | -67.5 | -179.1 | 168.1 | 0 | 0 | 110.9 | D329 G359 | D329-E357 PolarHBondContact OD2-N 3.08Å; E357-G359 PolarHBondContact O-N 3.08Å |
| 358 | C | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6.2 | 175.7 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | V328 D329 L341 Y356 D360 F361 C362 | V328-C358 HydrophobicContact CB-CB 4.36Å; V328-C358 HydrophobicContact CG1-CB 3.53Å; D329-C358 WeakPolarHBondContact OD1-CB 3.48Å; D329-C358 PolarHBondContact OD1-N 3.1Å; D329-C358 PolarHBondContact OD1-SG 2.78Å; L341-C358 HydrophobicContact CD1-CB 3.41Å; L341-C358 VanDerWaalsContact CD1-CB 3.41Å; Y356-C358 VanDerWaalsContact C-N 3.28Å; Y356-C358 PolarHBondContact O-N 3.09Å; C358-D360 PolarHBondContact O-N 2.9Å; C358-F361 CarbonylContact O-C 3.53Å; C358-F361 WeakPolarHBondContact O-CA 3.16Å; C358-F361 WeakPolarHBondContact O-CB 3.42Å; C358-F361 PolarHBondContact O-N 2.85Å; C358-C362 PolarHBondContact O-N 3.35Å; C358-C362 PolarHBondContact O-SG 2.85Å |
| 359 | G | 97.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -48.6 | -167 | 0 | 0 | 0 | 0 | 0 | 114.1 | G352 H353 Y356 E357 F361 | G352-G359 WeakPolarHBondContact CA-O 3.38Å; G352-G359 PolarHBondContact N-O 3.05Å; H353-G359 WeakPolarHBondContact O-CA 3.45Å; Y356-G359 PolarHBondContact O-N 2.96Å; E357-G359 PolarHBondContact O-N 3.08Å; G359-F361 VanDerWaalsContact C-N 3.32Å |
| 360 | D | 97.8 | Very high | 95.8 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20.6 | 177.2 | -168 | 49.4 | 0 | 0 | 0 | 112.9 | R343 R351 C358 | R343-D360 IonicContact CZ-OD1 3.79Å; R343-D360 IonicContact CZ-OD2 3.45Å; R343-D360 IonicContact NE-OD1 3.02Å; R343-D360 IonicContact NE-OD2 2.85Å; R343-D360 PolarHBondContact NE-OD2 2.88Å; R343-D360 IonicContact NH1-OD2 3.78Å; R343-D360 VanDerWaalsContact NH2-CG 3.34Å; R343-D360 IonicContact NH2-OD1 3.93Å; R343-D360 PolarHBondContact NH2-OD1 2.73Å; R343-D360 IonicContact NH2-OD2 2.71Å; R343-D360 PolarHBondContact NH2-OD2 2.88Å; R351-D360 PolarHBondContact NE-O 3.36Å; R351-D360 PolarHBondContact NH2-O 3.3Å; C358-D360 PolarHBondContact O-N 2.9Å |
| 361 | F | 98.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 51 Ų | 51 | 37% | 0.368 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -23.3 | 178.5 | -62.3 | -85.9 | 0 | 0 | 0 | 113.1 | L341 R343 V344 R351 C358 G359 | L341-F361 HydrophobicContact CB-CB 3.88Å; L341-F361 HydrophobicContact CB-CD1 4.15Å; L341-F361 HydrophobicContact CB-CG 3.96Å; L341-F361 WeakPolarHBondContact O-CD1 3.39Å; R343-F361 HydrophobicContact CB-CD1 4.36Å; V344-F361 WeakPolarHBondContact CG1-O 3.25Å; V344-F361 PolarHBondContact N-O 2.85Å; V344-F361 VanDerWaalsContact N-O 3.12Å; R351-F361 PolarHBondContact NH2-O 3.24Å; C358-F361 CarbonylContact O-C 3.53Å; C358-F361 WeakPolarHBondContact O-CA 3.16Å; C358-F361 WeakPolarHBondContact O-CB 3.42Å; C358-F361 PolarHBondContact O-N 2.85Å; G359-F361 VanDerWaalsContact C-N 3.32Å |
| 362 | C | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -102.5 | 160.1 | -178.5 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | R351 G352 C358 F376 V377 A378 | R351-C362 WeakPolarHBondContact CA-O 3.28Å; R351-C362 VanDerWaalsContact CZ-O 3.22Å; R351-C362 PolarHBondContact NE-O 2.75Å; R351-C362 PolarHBondContact NH2-O 2.99Å; R351-C362 VanDerWaalsContact NH2-O 3.16Å; G352-C362 PolarHBondContact N-O 3.23Å; G352-C362 VanDerWaalsContact N-O 3.1Å; C358-C362 PolarHBondContact O-N 3.35Å; C358-C362 PolarHBondContact O-SG 2.85Å; C362-F376 HydrophobicContact CB-CD2 4.45Å; C362-F376 HydrophobicContact CB-CE1 4.49Å; C362-F376 HydrophobicContact CB-CE2 3.47Å; C362-F376 VanDerWaalsContact CB-CE2 3.47Å; C362-F376 HydrophobicContact CB-CZ 3.5Å; C362-F376 VanDerWaalsContact CB-CZ 3.5Å; C362-V377 WeakPolarHBondContact CA-O 3.29Å; C362-V377 WeakPolarHBondContact CB-O 3.06Å; C362-A378 HydrophobicContact CB-CB 4.35Å; C362-A378 WeakPolarHBondContact SG-CB 3.35Å |
| 363 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 150.1 | 171.3 | 60.3 | 163.8 | 0 | 0 | 0 | 112.4 | L175 V344 L345 W348 H350 R351 F376 V377 | L175-I363 HydrophobicContact CB-CD1 4.24Å; L175-I363 HydrophobicContact CD1-CD1 3.79Å; V344-I363 HydrophobicContact CG1-CB 4.26Å; V344-I363 HydrophobicContact CG1-CG1 3.89Å; V344-I363 HydrophobicContact CG1-CG2 3.78Å; L345-I363 HydrophobicContact CD1-CD1 3.89Å; W348-I363 HydrophobicContact CB-CG2 3.98Å; W348-I363 HydrophobicContact CG-CB 4.38Å; W348-I363 HydrophobicContact CG-CD1 4.18Å; W348-I363 HydrophobicContact CG-CG2 4.1Å; H350-I363 WeakPolarHBondContact O-CA 3.22Å; R351-I363 VanDerWaalsContact CZ-CG2 3.42Å; I363-F376 WeakPolarHBondContact O-CA 3.15Å; I363-F376 WeakPolarHBondContact O-CD2 3.35Å; I363-V377 HydrophobicContact CD1-CB 4.11Å; I363-V377 HydrophobicContact CD1-CG2 4.11Å; I363-V377 HydrophobicContact CG1-CB 3.67Å; I363-V377 HydrophobicContact CG1-CG2 4.09Å; I363-V377 PolarHBondContact N-O 2.77Å; I363-V377 PolarHBondContact O-N 3.38Å |
| 364 | R | 98.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 47 Ų | 47 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 156.2 | 167.7 | -78.1 | -178.1 | 168.7 | -106.4 | 10.2 | 110.8 | I319 N324 E325 W348 H350 F375 F376 | I319-R364 PolarHBondContact O-NH1 2.91Å; N324-R364 PolarHBondContact ND2-NH2 3.27Å; E325-R364 IonicContact OE1-CZ 3.52Å; E325-R364 IonicContact OE1-NE 3.46Å; E325-R364 PolarHBondContact OE1-NE 2.83Å; E325-R364 IonicContact OE1-NH2 2.73Å; E325-R364 PolarHBondContact OE1-NH2 3.23Å; E325-R364 IonicContact OE2-CZ 2.78Å; E325-R364 IonicContact OE2-NE 2.69Å; E325-R364 PolarHBondContact OE2-NE 3.32Å; E325-R364 IonicContact OE2-NH2 3.98Å; E325-R364 PolarHBondContact OE2-NH2 3.5Å; W348-R364 PolarHBondContact NE1-O 3.42Å; H350-R364 VanDerWaalsContact CB-O 3.27Å; H350-R364 WeakPolarHBondContact CB-O 3.36Å; H350-R364 PolarHBondContact ND1-O 3.45Å; H350-R364 VanDerWaalsContact ND1-O 3.16Å; H350-R364 PolarHBondContact O-N 3.31Å; R364-F375 CarbonylContact C-O 3.53Å; R364-F375 VanDerWaalsContact CA-O 3.31Å; R364-F375 WeakPolarHBondContact CA-O 3.4Å; R364-F376 HydrophobicContact CG-CD2 3.83Å |
| 365 | C | 96.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.7 | 172.5 | -60.7 | 0 | 0 | 0 | 0 | 108.7 | L175 W348 T372 N373 G374 F375 | L175-C365 WeakPolarHBondContact CD1-SG 3.14Å; W348-C365 HydrophobicContact CZ2-CB 4.48Å; W348-C365 VanDerWaalsContact CZ2-SG 3.6Å; C365-T372 WeakPolarHBondContact CB-OG1 3.31Å; C365-N373 WeakPolarHBondContact CB-O 3.48Å; C365-G374 WeakPolarHBondContact O-CA 3.39Å; C365-F375 HydrophobicContact CB-CB 3.79Å; C365-F375 PolarHBondContact N-O 2.94Å; C365-F375 PolarHBondContact O-N 3.47Å |
| 366 | S | 93.8 | Very high | 95.4 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | trans | -151 | 154.6 | 169.1 | 76.3 | 0 | 0 | 0 | 0 | 113.1 | K368 R369 D370 L371 T372 | S366-K368 VanDerWaalsContact C-N 3.31Å; S366-K368 PolarHBondContact O-N 2.7Å; S366-R369 PolarHBondContact O-N 3.11Å; S366-R369 VanDerWaalsContact OG-CB 3.29Å; S366-R369 WeakPolarHBondContact OG-CB 3.5Å; S366-R369 PolarHBondContact OG-N 2.79Å; S366-D370 PolarHBondContact N-OD2 3.21Å; S366-D370 WeakPolarHBondContact O-CA 3.34Å; S366-D370 PolarHBondContact O-N 3.09Å; S366-L371 PolarHBondContact O-N 3.1Å; S366-T372 CarbonylContact C-O 3.58Å | ||
| 367 | P | 90.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 7% | 0.071 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.9 | -42.4 | 177.3 | -28.2 | 36.3 | 0 | 0 | 0 | 113.5 | P86 V88 V272 L275 L371 T372 | P86-P367 HydrophobicContact CB-CB 3.57Å; P86-P367 HydrophobicContact CG-CB 3.37Å; P86-P367 HydrophobicContact CG-CG 4.15Å; V88-P367 HydrophobicContact CG2-CB 3.62Å; V88-P367 HydrophobicContact CG2-CG 4.49Å; V272-P367 HydrophobicContact CG2-CB 3.99Å; V272-P367 HydrophobicContact CG2-CG 3.48Å; V272-P367 VanDerWaalsContact CG2-CG 3.48Å; L275-P367 HydrophobicContact CD1-CG 3.73Å; P367-L371 WeakPolarHBondContact O-CA 3.47Å; P367-L371 PolarHBondContact O-N 3.09Å; P367-T372 WeakPolarHBondContact CA-O 3.4Å; P367-T372 WeakPolarHBondContact CD-O 3.38Å; P367-T372 VanDerWaalsContact CG-O 3.29Å; P367-T372 WeakPolarHBondContact CG-O 3.33Å |
| 368 | K | 88.2 | Confident | 95.6 | Very high | 186 Ų | 186 | 27.9 Ų | 27.9 | 81% | 0.809 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -72.2 | -43.4 | -177.4 | -69.9 | -177 | 178.6 | 177 | 0 | 112.4 | S366 | S366-K368 VanDerWaalsContact C-N 3.31Å; S366-K368 PolarHBondContact O-N 2.7Å |
| 369 | R | 91.2 | Very high | 95.6 | Very high | 120 Ų | 120 | 28 Ų | 28 | 45% | 0.453 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -86.6 | -42.5 | -173.1 | -174.3 | 169.7 | 172.4 | -176.3 | 1.9 | 112 | K126 K349 H350 S366 | K126-R369 WeakPolarHBondContact CE-O 3.38Å; K126-R369 PolarHBondContact NZ-O 3.26Å; K349-R369 PolarHBondContact O-NH2 3.36Å; H350-R369 PolarHBondContact CD2-NH1 3.28Å; S366-R369 PolarHBondContact O-N 3.11Å; S366-R369 VanDerWaalsContact OG-CB 3.29Å; S366-R369 WeakPolarHBondContact OG-CB 3.5Å; S366-R369 PolarHBondContact OG-N 2.79Å |
| 370 | D | 93.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.027 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -117.1 | -4.1 | -167 | -59.4 | -58.8 | 0 | 0 | 0 | 114.5 | R122 K126 W348 H350 S366 T372 | R122-D370 IonicContact NH2-OD1 2.8Å; R122-D370 PolarHBondContact NH2-OD1 3.25Å; K126-D370 IonicContact NZ-OD1 3.77Å; K126-D370 PolarHBondContact NZ-OD1 3.23Å; K126-D370 VanDerWaalsContact NZ-OD1 3.08Å; W348-D370 HydrophobicContact CH2-CB 4.09Å; W348-D370 HydrophobicContact CZ2-CB 3.7Å; H350-D370 IonicContact CE1-OD2 3.27Å; H350-D370 IonicContact CG-OD2 2.75Å; H350-D370 IonicContact ND1-OD2 3.11Å; H350-D370 PolarHBondContact ND1-OD2 3.19Å; S366-D370 PolarHBondContact N-OD2 3.21Å; S366-D370 WeakPolarHBondContact O-CA 3.34Å; S366-D370 PolarHBondContact O-N 3.09Å; D370-T372 VanDerWaalsContact C-N 3.31Å; D370-T372 HydrophobicContact CB-CG2 4.41Å |
| 371 | L | 93.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 5% | 0.047 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 57.9 | 45.8 | -178.8 | -53.7 | 175.3 | 0 | 0 | 0 | 111.1 | V88 P89 Y91 K126 L129 K130 S366 P367 | V88-L371 WeakPolarHBondContact CG1-O 3.44Å; P89-L371 HydrophobicContact CG-CB 4.34Å; Y91-L371 WeakPolarHBondContact CE2-O 3.41Å; Y91-L371 PolarHBondContact OH-O 2.89Å; K126-L371 HydrophobicContact CB-CD1 4.39Å; K126-L371 HydrophobicContact CG-CD1 4.49Å; L129-L371 HydrophobicContact CB-CD1 3.7Å; L129-L371 HydrophobicContact CD1-CD1 4.13Å; K130-L371 HydrophobicContact CG-CD1 4.02Å; K130-L371 HydrophobicContact CG-CD2 4.33Å; S366-L371 PolarHBondContact O-N 3.1Å; P367-L371 WeakPolarHBondContact O-CA 3.47Å; P367-L371 PolarHBondContact O-N 3.09Å |
| 372 | T | 93.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -139 | 179.7 | 176.8 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | Y91 K171 C365 S366 P367 D370 | Y91-T372 HydrophobicContact CE2-CG2 4.43Å; K171-T372 HydrophobicContact CB-CG2 3.77Å; K171-T372 HydrophobicContact CD-CG2 3.95Å; K171-T372 HydrophobicContact CG-CG2 4.06Å; C365-T372 WeakPolarHBondContact CB-OG1 3.31Å; S366-T372 CarbonylContact C-O 3.58Å; P367-T372 WeakPolarHBondContact CA-O 3.4Å; P367-T372 WeakPolarHBondContact CD-O 3.38Å; P367-T372 VanDerWaalsContact CG-O 3.29Å; P367-T372 WeakPolarHBondContact CG-O 3.33Å; D370-T372 VanDerWaalsContact C-N 3.31Å; D370-T372 HydrophobicContact CB-CG2 4.41Å |
| 373 | N | 92.9 | Very high | 95.3 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 17% | 0.171 | 16% | 0.155 | C | C | . | . | trans | -62.1 | 160.3 | 160.6 | -69.3 | -42.8 | 0 | 0 | 0 | 111.7 | D170 V272 C365 F375 | D170-N373 PolarHBondContact OD1-N 3.32Å; D170-N373 PolarHBondContact OD2-N 2.88Å; V272-N373 VanDerWaalsContact CG2-OD1 3.27Å; V272-N373 WeakPolarHBondContact CG2-OD1 3.41Å; V272-N373 PolarHBondContact N-OD1 3.46Å; C365-N373 WeakPolarHBondContact CB-O 3.48Å; N373-F375 PolarHBondContact O-N 3.01Å | ||
| 374 | G | 92.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -64.3 | 125.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | G270 C317 C365 | G270-G374 PolarHBondContact O-N 2.86Å; C317-G374 CarbonylContact C-O 3.55Å; C365-G374 WeakPolarHBondContact O-CA 3.39Å | ||
| 375 | F | 97.4 | Very high | 95 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 155.1 | -173.4 | -146.3 | -102.5 | 0 | 0 | 0 | 110.3 | S172 T173 P176 T316 C317 R364 C365 N373 V377 | S172-F375 VanDerWaalsContact CB-CB 3.47Å; S172-F375 WeakPolarHBondContact O-CD1 3.25Å; T173-F375 HydrophobicContact CG2-CE2 4.18Å; P176-F375 HydrophobicContact CB-CE1 4.48Å; P176-F375 HydrophobicContact CG-CE1 3.75Å; P176-F375 HydrophobicContact CG-CZ 4.23Å; T316-F375 CarbonylContact O-C 3.59Å; T316-F375 VanDerWaalsContact O-CA 3.26Å; T316-F375 WeakPolarHBondContact O-CA 3.31Å; T316-F375 WeakPolarHBondContact O-CD2 3.4Å; T316-F375 WeakPolarHBondContact O-CE2 3.29Å; T316-F375 VanDerWaalsContact O-CG 3.27Å; T316-F375 WeakPolarHBondContact O-CG 3.45Å; C317-F375 HydrophobicContact CB-CD2 4.19Å; C317-F375 HydrophobicContact CB-CE2 4.09Å; R364-F375 CarbonylContact C-O 3.53Å; R364-F375 VanDerWaalsContact CA-O 3.31Å; R364-F375 WeakPolarHBondContact CA-O 3.4Å; C365-F375 HydrophobicContact CB-CB 3.79Å; C365-F375 PolarHBondContact N-O 2.94Å; C365-F375 PolarHBondContact O-N 3.47Å; N373-F375 PolarHBondContact O-N 3.01Å; F375-V377 HydrophobicContact CD1-CG2 3.89Å; F375-V377 HydrophobicContact CE1-CG2 4.03Å |
| 376 | F | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.7 | 178 | 176.6 | -94.1 | 0 | 0 | 0 | 109.9 | Y314 S315 T316 N324 E325 V328 C362 I363 R364 A378 | Y314-F376 HydrophobicContact CD1-CD1 4.16Å; Y314-F376 AromaticContact CD1-CE1 3.95Å; Y314-F376 HydrophobicContact CD1-CE1 3.95Å; Y314-F376 HydrophobicContact CE1-CD1 4.15Å; Y314-F376 HydrophobicContact CE1-CE1 4.11Å; S315-F376 CarbonylContact C-O 3.55Å; S315-F376 WeakPolarHBondContact CA-O 3.35Å; S315-F376 WeakPolarHBondContact CB-O 3.45Å; T316-F376 PolarHBondContact N-O 3.15Å; T316-F376 PolarHBondContact O-N 3.42Å; N324-F376 HydrophobicContact CB-CB 4.19Å; N324-F376 HydrophobicContact CB-CD1 3.82Å; N324-F376 HydrophobicContact CB-CD2 3.69Å; N324-F376 HydrophobicContact CB-CE1 4.05Å; N324-F376 HydrophobicContact CB-CE2 3.91Å; N324-F376 HydrophobicContact CB-CG 3.63Å; N324-F376 HydrophobicContact CB-CZ 4.08Å; N324-F376 VanDerWaalsContact CG-CB 3.42Å; N324-F376 VanDerWaalsContact CG-CG 3.44Å; N324-F376 VanDerWaalsContact OD1-CB 3.29Å; N324-F376 WeakPolarHBondContact OD1-CB 3.28Å; N324-F376 WeakPolarHBondContact OD1-CG 3.42Å; E325-F376 HydrophobicContact CG-CE2 4.01Å; E325-F376 HydrophobicContact CG-CZ 4.39Å; V328-F376 HydrophobicContact CG2-CE1 3.62Å; V328-F376 HydrophobicContact CG2-CZ 3.87Å; C362-F376 HydrophobicContact CB-CD2 4.45Å; C362-F376 HydrophobicContact CB-CE1 4.49Å; C362-F376 HydrophobicContact CB-CE2 3.47Å; C362-F376 VanDerWaalsContact CB-CE2 3.47Å; C362-F376 HydrophobicContact CB-CZ 3.5Å; C362-F376 VanDerWaalsContact CB-CZ 3.5Å; I363-F376 WeakPolarHBondContact O-CA 3.15Å; I363-F376 WeakPolarHBondContact O-CD2 3.35Å; R364-F376 HydrophobicContact CG-CD2 3.83Å; F376-A378 HydrophobicContact CE1-CB 3.87Å; F376-A378 HydrophobicContact CZ-CB 4.17Å |
| 377 | V | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 134 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | L175 P176 A179 V313 Y314 V344 C362 I363 F375 | L175-V377 HydrophobicContact CB-CG2 4.32Å; P176-V377 HydrophobicContact CB-CG1 4.08Å; P176-V377 HydrophobicContact CB-CG2 4.11Å; A179-V377 HydrophobicContact CB-CG1 4.11Å; V313-V377 HydrophobicContact CG1-CG1 3.68Å; Y314-V377 CarbonylContact O-C 3.47Å; Y314-V377 WeakPolarHBondContact O-CA 3.47Å; V344-V377 HydrophobicContact CG2-CG1 4.28Å; C362-V377 WeakPolarHBondContact CA-O 3.29Å; C362-V377 WeakPolarHBondContact CB-O 3.06Å; I363-V377 HydrophobicContact CD1-CB 4.11Å; I363-V377 HydrophobicContact CD1-CG2 4.11Å; I363-V377 HydrophobicContact CG1-CB 3.67Å; I363-V377 HydrophobicContact CG1-CG2 4.09Å; I363-V377 PolarHBondContact N-O 2.77Å; I363-V377 PolarHBondContact O-N 3.38Å; F375-V377 HydrophobicContact CD1-CG2 3.89Å; F375-V377 HydrophobicContact CE1-CG2 4.03Å |
| 378 | A | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y314 V328 C362 F376 | Y314-A378 PolarHBondContact N-O 3.17Å; Y314-A378 PolarHBondContact O-N 2.79Å; V328-A378 HydrophobicContact CG1-CB 4.11Å; V328-A378 HydrophobicContact CG2-CB 3.69Å; C362-A378 HydrophobicContact CB-CB 4.35Å; C362-A378 WeakPolarHBondContact SG-CB 3.35Å; F376-A378 HydrophobicContact CE1-CB 3.87Å; F376-A378 HydrophobicContact CZ-CB 4.17Å |
| 379 | V | 98.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.1 | -178.8 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | A179 R311 V313 L341 V342 V344 | A179-V379 HydrophobicContact CB-CG2 3.88Å; R311-V379 HydrophobicContact CG-CG1 3.72Å; V313-V379 HydrophobicContact CG1-CG2 4.47Å; V313-V379 HydrophobicContact CG2-CG1 4.46Å; V313-V379 HydrophobicContact CG2-CG2 4.05Å; L341-V379 WeakPolarHBondContact CA-O 3.25Å; V342-V379 HydrophobicContact CB-CB 4.17Å; V342-V379 HydrophobicContact CB-CG1 4.17Å; V342-V379 HydrophobicContact CG2-CG1 4.31Å; V342-V379 PolarHBondContact N-O 2.87Å; V344-V379 HydrophobicContact CB-CG2 3.74Å; V344-V379 HydrophobicContact CG2-CG2 3.48Å; V344-V379 VanDerWaalsContact CG2-CG2 3.48Å |
| 380 | F | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.8 | 169.8 | -68.2 | -102.4 | 0 | 0 | 0 | 107.8 | L300 R311 C312 V328 V331 A332 L335 F339 L341 | L300-F380 HydrophobicContact CD1-CD2 4.05Å; L300-F380 HydrophobicContact CD1-CE2 4.03Å; L300-F380 HydrophobicContact CD2-CD2 4.45Å; L300-F380 HydrophobicContact CD2-CE2 3.62Å; L300-F380 HydrophobicContact CD2-CZ 3.81Å; L300-F380 HydrophobicContact CG-CE2 4.25Å; R311-F380 WeakPolarHBondContact CA-O 3.33Å; C312-F380 HydrophobicContact CB-CB 4.34Å; C312-F380 PolarHBondContact N-O 3.32Å; C312-F380 PolarHBondContact O-N 3.01Å; V328-F380 HydrophobicContact CB-CZ 4.48Å; V328-F380 HydrophobicContact CG1-CE2 4.11Å; V328-F380 HydrophobicContact CG1-CZ 3.83Å; V328-F380 HydrophobicContact CG2-CE2 4.49Å; V331-F380 HydrophobicContact CG1-CE1 4.46Å; A332-F380 HydrophobicContact CB-CE1 3.87Å; A332-F380 HydrophobicContact CB-CZ 4.37Å; L335-F380 HydrophobicContact CD1-CD1 3.87Å; L335-F380 HydrophobicContact CD1-CE1 4.1Å; F339-F380 HydrophobicContact CB-CD1 4.44Å; F339-F380 HydrophobicContact CD1-CB 4.15Å; L341-F380 HydrophobicContact CD2-CD1 3.96Å; L341-F380 HydrophobicContact CD2-CD2 4.05Å; L341-F380 HydrophobicContact CD2-CE1 3.74Å; L341-F380 HydrophobicContact CD2-CE2 3.8Å; L341-F380 HydrophobicContact CD2-CG 4.12Å; L341-F380 HydrophobicContact CD2-CZ 3.66Å; L341-F380 HydrophobicContact CG-CE1 4.49Å |
| 381 | E | 98.6 | Very high | 96.3 | Very high | 53 Ų | 53 | 25.5 Ų | 25.5 | 25% | 0.248 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139 | 175 | -176.6 | 152.2 | -82.5 | 0 | 0 | 108.9 | Q310 R311 F339 H340 V342 | Q310-E381 CarbonylContact O-C 3.54Å; Q310-E381 WeakPolarHBondContact O-CA 3.49Å; R311-E381 IonicContact CZ-OE1 3.74Å; R311-E381 IonicContact NE-OE1 3.34Å; R311-E381 PolarHBondContact NE-OE1 3.05Å; R311-E381 IonicContact NH2-OE1 3.04Å; R311-E381 PolarHBondContact NH2-OE1 3.25Å; F339-E381 CarbonylContact C-O 3.32Å; F339-E381 WeakPolarHBondContact CA-O 3.38Å; F339-E381 WeakPolarHBondContact CB-O 3.45Å; H340-E381 PolarHBondContact N-O 2.91Å; H340-E381 PolarHBondContact ND1-O 3.27Å; H340-E381 IonicContact NE2-OE2 2.76Å; H340-E381 PolarHBondContact O-N 3.16Å; V342-E381 HydrophobicContact CG2-CB 3.43Å; V342-E381 VanDerWaalsContact CG2-CB 3.43Å; V342-E381 HydrophobicContact CG2-CG 4.31Å |
| 382 | R | 97.8 | Very high | 96.5 | Very high | 93 Ų | 93 | 26.8 Ų | 26.8 | 35% | 0.351 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 138.5 | 179.2 | -160.8 | 172.5 | -164.2 | 170.3 | -0.5 | 109.8 | P307 I309 Q310 R338 F339 | P307-R382 PolarHBondContact O-NH1 3.06Å; P307-R382 PolarHBondContact O-NH2 3.06Å; I309-R382 WeakPolarHBondContact O-CD 3.47Å; I309-R382 PolarHBondContact O-NH1 2.97Å; Q310-R382 PolarHBondContact O-N 3.32Å; R338-R382 WeakPolarHBondContact O-CA 3.41Å; R338-R382 WeakPolarHBondContact O-CG 3.35Å; F339-R382 HydrophobicContact CD1-CB 4.04Å; F339-R382 HydrophobicContact CD1-CG 4.44Å; F339-R382 HydrophobicContact CE1-CB 3.8Å; F339-R382 HydrophobicContact CE1-CG 4.11Å; F339-R382 HydrophobicContact CE2-CG 4.49Å; F339-R382 HydrophobicContact CZ-CB 4.32Å; F339-R382 HydrophobicContact CZ-CG 4.14Å |
| 383 | D | 91.2 | Very high | 96.8 | Very high | 134 Ų | 134 | 29.3 Ų | 29.3 | 72% | 0.717 | 14% | 0.14 | S | C | * | . | trans | -64.1 | 0 | 177.7 | -63.2 | -31.1 | 0 | 0 | 0 | 113.3 | R338 F339 H340 | R338-D383 VanDerWaalsContact C-OD2 3.26Å; R338-D383 PolarHBondContact N-OD2 3.15Å; R338-D383 PolarHBondContact O-N 2.86Å; F339-D383 PolarHBondContact N-OD2 3.14Å; H340-D383 IonicContact CE1-OD1 3.27Å; H340-D383 IonicContact CG-OD1 3.62Å; H340-D383 PolarHBondContact N-OD1 3.06Å; H340-D383 IonicContact ND1-OD1 3.54Å; H340-D383 PolarHBondContact ND1-OD1 3.48Å |
Retrieved 383 of 383 residues in 173.9 ms
(Link to these results)