| 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 | 38 | Very low | 69.1 | Low | 131 Ų | 131 | 52.6 Ų | 52.6 | 65% | 0.645 | 28% | 0.281 | S | S | * | . | 0 | 119.8 | 0 | -73.4 | -72 | -116.8 | 0 | 0 | 105.3 | F261 V299 | M1-F261 HydrophobicContact CB-CE2 4.15Å; M1-F261 HydrophobicContact CG-CE2 4.44Å; M1-V299 HydrophobicContact CE-CG2 4.33Å | |||
| 2 | P | 53.2 | Low | 70.6 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | trans | -64.4 | 163.8 | 170.2 | 29.6 | -33.5 | 0 | 0 | 0 | 110.2 | ||||
| 3 | F | 56.2 | Low | 71.9 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -55.9 | 150.2 | 166.6 | -69.2 | -111.7 | 0 | 0 | 0 | 109.4 | A5 L7 P266 L286 L296 | F3-A5 WeakPolarHBondContact CB-O 3.48Å; F3-A5 PolarHBondContact O-N 3.45Å; F3-L7 HydrophobicContact CD1-CD1 4.33Å; F3-L7 HydrophobicContact CD1-CD2 3.87Å; F3-L7 HydrophobicContact CD1-CG 3.92Å; F3-L7 HydrophobicContact CE1-CD1 3.85Å; F3-L7 HydrophobicContact CE1-CD2 3.84Å; F3-L7 HydrophobicContact CE1-CG 3.92Å; F3-L7 HydrophobicContact CZ-CD1 4.23Å; F3-P266 HydrophobicContact CD2-CG 4.01Å; F3-P266 VanDerWaalsContact CE2-CD 3.5Å; F3-P266 HydrophobicContact CE2-CG 3.55Å; F3-P266 HydrophobicContact CZ-CG 4.12Å; F3-L286 HydrophobicContact CE1-CD1 4.13Å; F3-L286 HydrophobicContact CE1-CD2 3.8Å; F3-L286 HydrophobicContact CE1-CG 4.48Å; F3-L296 HydrophobicContact CD1-CD1 4.3Å; F3-L296 HydrophobicContact CD2-CD1 4.26Å; F3-L296 HydrophobicContact CE2-CD1 4.43Å; F3-L296 HydrophobicContact CG-CD1 4.14Å | ||
| 4 | T | 56.1 | Low | 72.9 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -62.5 | -33.2 | -177.9 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | E43 G295 Q297 | T4-E43 WeakPolarHBondContact CB-OE1 3.36Å; T4-E43 PolarHBondContact OG1-OE1 2.98Å; T4-G295 PolarHBondContact N-O 2.98Å; T4-G295 VanDerWaalsContact N-O 3.09Å; T4-G295 PolarHBondContact OG1-O 3.43Å; T4-Q297 HydrophobicContact CG2-CB 3.64Å; T4-Q297 HydrophobicContact CG2-CG 4.45Å |
| 5 | A | 59.5 | Low | 73.9 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -138.1 | 153.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F3 E43 | F3-A5 WeakPolarHBondContact CB-O 3.48Å; F3-A5 PolarHBondContact O-N 3.45Å; A5-E43 HydrophobicContact CB-CB 4.17Å; A5-E43 HydrophobicContact CB-CG 3.88Å |
| 6 | P | 69 | Low | 75.1 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -59 | 142.2 | 174.5 | 23.7 | -32.8 | 0 | 0 | 0 | 111.2 | R8 Y630 | P6-R8 PolarHBondContact O-N 3.31Å; P6-Y630 WeakPolarHBondContact CG-OH 3.31Å |
| 7 | L | 81.6 | Confident | 76.1 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 125.1 | -175.3 | -69.7 | 166.7 | 0 | 0 | 0 | 112.2 | F3 H265 P266 L286 F292 Q628 | F3-L7 HydrophobicContact CD1-CD1 4.33Å; F3-L7 HydrophobicContact CD1-CD2 3.87Å; F3-L7 HydrophobicContact CD1-CG 3.92Å; F3-L7 HydrophobicContact CE1-CD1 3.85Å; F3-L7 HydrophobicContact CE1-CD2 3.84Å; F3-L7 HydrophobicContact CE1-CG 3.92Å; F3-L7 HydrophobicContact CZ-CD1 4.23Å; L7-H265 VanDerWaalsContact CD1-CD2 3.5Å; L7-H265 WeakPolarHBondContact CD1-CD2 3.41Å; L7-H265 WeakPolarHBondContact CD1-NE2 3.29Å; L7-P266 HydrophobicContact CD1-CG 4.43Å; L7-L286 HydrophobicContact CD2-CD1 3.72Å; L7-F292 HydrophobicContact CB-CB 4.29Å; L7-F292 HydrophobicContact CB-CD1 4.45Å; L7-Q628 PolarHBondContact O-NE2 3.43Å |
| 8 | R | 84.2 | Confident | 77.1 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 148.2 | -175.1 | -163.6 | -177.1 | -157.4 | -77.5 | 4.5 | 109.8 | P6 G10 S45 F292 V293 | P6-R8 PolarHBondContact O-N 3.31Å; R8-G10 PolarHBondContact O-N 3.22Å; R8-G10 VanDerWaalsContact O-N 3.17Å; R8-S45 PolarHBondContact NH2-O 3.16Å; R8-F292 CarbonylContact O-C 3.57Å; R8-F292 WeakPolarHBondContact O-CA 3.47Å; R8-F292 WeakPolarHBondContact O-CD1 3.5Å; R8-V293 PolarHBondContact N-O 2.97Å; R8-V293 PolarHBondContact O-N 2.94Å |
| 9 | F | 87 | Confident | 77.9 | Confident | 97 Ų | 97 | 45.4 Ų | 45.4 | 43% | 0.425 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 115.8 | 165.9 | -178.1 | -95.1 | 0 | 0 | 0 | 108.8 | H11 F292 | F9-H11 WeakPolarHBondContact CE2-O 3.46Å; F9-H11 WeakPolarHBondContact CZ-O 3.5Å; F9-F292 HydrophobicContact CB-CE1 4.37Å; F9-F292 HydrophobicContact CD2-CE2 4.34Å; F9-F292 HydrophobicContact CD2-CZ 4.32Å |
| 10 | G | 85 | Confident | 78.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -94.8 | -72.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | R8 R37 G291 | R8-G10 PolarHBondContact O-N 3.22Å; R8-G10 VanDerWaalsContact O-N 3.17Å; G10-R37 PolarHBondContact O-NE 3.45Å; G10-R37 PolarHBondContact O-NH1 3.19Å; G10-R37 PolarHBondContact O-NH2 2.96Å; G10-G291 CarbonylContact C-O 3.51Å; G10-G291 WeakPolarHBondContact CA-O 3.49Å; G10-G291 PolarHBondContact N-O 2.56Å | ||
| 11 | H | 90.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -124.3 | 176.4 | -173.5 | -64.9 | -97.4 | 0 | 0 | 0 | 112.6 | F9 T29 G30 G31 D33 Q35 R37 G291 | F9-H11 WeakPolarHBondContact CE2-O 3.46Å; F9-H11 WeakPolarHBondContact CZ-O 3.5Å; H11-T29 PolarHBondContact CE1-O 3.22Å; H11-T29 VanDerWaalsContact CE1-O 3.32Å; H11-T29 VanDerWaalsContact NE2-C 3.35Å; H11-T29 WeakPolarHBondContact NE2-CB 3.4Å; H11-T29 PolarHBondContact NE2-O 3.47Å; H11-T29 PolarHBondContact NE2-OG1 3.2Å; H11-G30 VanDerWaalsContact CE1-CA 3.42Å; H11-G30 WeakPolarHBondContact CE1-CA 3.45Å; H11-G31 PolarHBondContact ND1-N 2.93Å; H11-G31 VanDerWaalsContact ND1-N 3.19Å; H11-D33 WeakPolarHBondContact CA-OD2 3.44Å; H11-D33 IonicContact CE1-OD1 2.81Å; H11-D33 IonicContact CG-OD1 2.75Å; H11-D33 IonicContact ND1-OD1 2.82Å; H11-D33 PolarHBondContact ND1-OD1 3.33Å; H11-D33 IonicContact ND1-OD2 2.58Å; H11-Q35 PolarHBondContact CE1-O 3.41Å; H11-Q35 PolarHBondContact ND1-O 2.68Å; H11-R37 PolarHBondContact CE1-NH1 2.88Å; H11-R37 VanDerWaalsContact CG-NH1 3.31Å; H11-R37 PolarHBondContact ND1-NH1 3.14Å; H11-G291 PolarHBondContact N-O 3.18Å; H11-G291 WeakPolarHBondContact O-CA 3.31Å |
| 12 | G | 87.2 | Confident | 81.4 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -63.5 | 170 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | G14 | G12-G14 PolarHBondContact O-N 3.06Š|
| 13 | Q | 87.6 | Confident | 82.9 | Confident | 155 Ų | 155 | 44.4 Ų | 44.4 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -64.8 | 125.2 | 179.3 | -179.2 | 178.8 | -3.6 | 0 | 0 | 111.2 | A32 | Q13-A32 WeakPolarHBondContact O-CB 3.36Š|
| 14 | G | 85.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 46 Ų | 46 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | 155.1 | -166.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G12 V289 | G12-G14 PolarHBondContact O-N 3.06Å; G14-V289 PolarHBondContact N-O 3.38Å; G14-V289 CarbonylContact O-C 3.59Å; G14-V289 WeakPolarHBondContact O-CA 3.24Å |
| 15 | I | 88.5 | Confident | 85.6 | Confident | 38 Ų | 38 | 50.1 Ų | 50.1 | 20% | 0.195 | 25% | 0.253 | C | S | . | . | trans | -74.8 | 128.6 | 171.4 | -63 | 177.4 | 0 | 0 | 0 | 107.8 | G31 F180 L186 C272 | I15-G31 WeakPolarHBondContact O-CA 3.34Å; I15-F180 HydrophobicContact CD1-CE1 3.53Å; I15-F180 HydrophobicContact CD1-CE2 4.29Å; I15-F180 HydrophobicContact CD1-CZ 3.33Å; I15-L186 HydrophobicContact CD1-CD2 4.16Å; I15-C272 HydrophobicContact CG2-CB 4.39Å | ||
| 16 | T | 92 | Very high | 87 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -115.9 | 125.2 | 173.3 | -63.5 | 0 | 0 | 0 | 0 | 108.5 | G30 C272 A273 A287 G291 V293 | T16-G30 CarbonylContact C-O 3.58Å; T16-G30 WeakPolarHBondContact CA-O 3.42Å; T16-C272 PolarHBondContact N-SG 3.26Å; T16-C272 VanDerWaalsContact N-SG 3.36Å; T16-C272 PolarHBondContact O-SG 3.36Å; T16-A273 WeakPolarHBondContact O-CB 3.36Å; T16-A287 HydrophobicContact CG2-CB 3.83Å; T16-G291 WeakPolarHBondContact OG1-CA 3.34Å; T16-V293 HydrophobicContact CG2-CG1 4.16Å | ||
| 17 | S | 92.9 | Very high | 88.1 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 141.8 | 176.4 | -164.4 | 0 | 0 | 0 | 0 | 109.8 | T29 G30 V59 | S17-T29 VanDerWaalsContact O-CA 3.25Å; S17-T29 WeakPolarHBondContact O-CA 3.23Å; S17-G30 PolarHBondContact N-O 3.28Å; S17-G30 PolarHBondContact O-N 2.97Å; S17-G30 VanDerWaalsContact O-N 3.14Å; S17-V59 PolarHBondContact OG-N 2.97Å |
| 18 | I | 94 | Very high | 88.6 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.4 | 172.5 | -58.6 | -170.6 | 0 | 0 | 0 | 108.2 | I27 V28 T29 A273 C275 L285 L286 A287 V293 | I18-I27 HydrophobicContact CG2-CG2 3.81Å; I18-V28 WeakPolarHBondContact CA-O 3.49Å; I18-T29 HydrophobicContact CD1-CG2 4.46Å; I18-T29 HydrophobicContact CG1-CG2 3.92Å; I18-T29 HydrophobicContact CG2-CG2 4.45Å; I18-A273 HydrophobicContact CB-CB 4.21Å; I18-A273 HydrophobicContact CG1-CB 4.14Å; I18-C275 HydrophobicContact CG2-CB 4.16Å; I18-L285 HydrophobicContact CG2-CB 4.4Å; I18-L285 HydrophobicContact CG2-CD1 4.41Å; I18-L286 WeakPolarHBondContact CD1-O 3.36Å; I18-A287 HydrophobicContact CD1-CB 3.78Å; I18-A287 HydrophobicContact CG1-CB 3.97Å; I18-V293 HydrophobicContact CD1-CG1 4.35Å |
| 19 | C | 92.8 | Very high | 89.1 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 175.9 | 164.8 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | V28 V59 | C19-V28 PolarHBondContact N-O 2.97Å; C19-V28 PolarHBondContact O-N 3.1Å; C19-V59 VanDerWaalsContact SG-CG1 3.55Å |
| 20 | I | 91.9 | Very high | 89.4 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.8 | -177.9 | -60.2 | 175.8 | 0 | 0 | 0 | 108.3 | E22 W276 N277 P278 F279 L285 | I20-E22 PolarHBondContact O-N 2.97Å; I20-W276 WeakPolarHBondContact CD1-O 3.46Å; I20-N277 HydrophobicContact CD1-CB 4.42Å; I20-P278 VanDerWaalsContact CD1-CD 3.44Å; I20-P278 HydrophobicContact CG2-CG 4.38Å; I20-F279 HydrophobicContact CG2-CE2 3.86Å; I20-L285 HydrophobicContact CD1-CD1 3.66Å; I20-L285 HydrophobicContact CG1-CD1 4.01Å |
| 21 | N | 89.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 105.1 | 166.3 | -176.6 | -34 | 0 | 0 | 0 | 108.4 | K23 L24 K25 R26 V28 V61 S80 | N21-K23 VanDerWaalsContact C-N 3.26Å; N21-K23 PolarHBondContact O-N 3.15Å; N21-K23 WeakPolarHBondContact OD1-CB 3.48Å; N21-K23 PolarHBondContact OD1-N 3.03Å; N21-L24 HydrophobicContact CB-CB 4.44Å; N21-L24 PolarHBondContact OD1-N 3.3Å; N21-K25 WeakPolarHBondContact O-CA 3.25Å; N21-K25 PolarHBondContact O-N 3.45Å; N21-R26 PolarHBondContact N-O 2.96Å; N21-R26 PolarHBondContact O-N 3.34Å; N21-V28 HydrophobicContact CB-CG2 4.41Å; N21-V61 HydrophobicContact CB-CG1 3.95Å; N21-S80 WeakPolarHBondContact ND2-CB 3.45Å; N21-S80 PolarHBondContact ND2-OG 2.94Å; N21-S80 VanDerWaalsContact ND2-OG 3.08Å |
| 22 | E | 85.5 | Confident | 89.7 | Confident | 139 Ų | 139 | 40.4 Ų | 40.4 | 65% | 0.65 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.7 | -177.5 | -67.1 | -171.2 | 164.2 | 0 | 0 | 113.3 | I20 P278 F279 | I20-E22 PolarHBondContact O-N 2.97Å; E22-P278 HydrophobicContact CG-CG 4.39Å; E22-F279 HydrophobicContact CB-CZ 4.4Å; E22-F279 WeakPolarHBondContact O-CZ 3.45Å |
| 23 | K | 83.9 | Confident | 89.9 | Confident | 134 Ų | 134 | 41.9 Ų | 41.9 | 58% | 0.583 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -45.9 | -178.8 | -175.1 | -179.9 | 171.9 | -158.7 | 0 | 111.9 | N21 D64 | N21-K23 VanDerWaalsContact C-N 3.26Å; N21-K23 PolarHBondContact O-N 3.15Å; N21-K23 WeakPolarHBondContact OD1-CB 3.48Å; N21-K23 PolarHBondContact OD1-N 3.03Å; K23-D64 VanDerWaalsContact CD-OD1 3.32Å; K23-D64 WeakPolarHBondContact CD-OD1 3.44Å; K23-D64 WeakPolarHBondContact CE-OD1 3.46Å; K23-D64 IonicContact NZ-OD1 3.76Å; K23-D64 PolarHBondContact NZ-OD1 2.92Å; K23-D64 IonicContact NZ-OD2 2.72Å; K23-D64 PolarHBondContact NZ-OD2 3.28Å |
| 24 | L | 82 | Confident | 90 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -4.7 | 178.8 | -60.6 | -175.7 | 0 | 0 | 0 | 113.7 | N21 R26 S80 | N21-L24 HydrophobicContact CB-CB 4.44Å; N21-L24 PolarHBondContact OD1-N 3.3Å; L24-R26 HydrophobicContact CB-CG 4.41Å; L24-R26 PolarHBondContact O-N 3.07Å; L24-S80 WeakPolarHBondContact CD1-O 3.37Å; L24-S80 WeakPolarHBondContact CD1-OG 3.49Å |
| 25 | K | 86.7 | Confident | 90.3 | Very high | 140 Ų | 140 | 36.2 Ų | 36.2 | 61% | 0.609 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.2 | -174.7 | -53.1 | -168.8 | 176.8 | 178 | 0 | 113.8 | N21 F279 | N21-K25 WeakPolarHBondContact O-CA 3.25Å; N21-K25 PolarHBondContact O-N 3.45Å; K25-F279 HydrophobicContact CB-CD2 4.33Å; K25-F279 HydrophobicContact CB-CE2 3.95Å; K25-F279 HydrophobicContact CB-CZ 4.07Å; K25-F279 HydrophobicContact CD-CD1 4.23Å; K25-F279 HydrophobicContact CD-CE1 4.11Å; K25-F279 HydrophobicContact CD-CZ 4.41Å; K25-F279 HydrophobicContact CG-CD1 4.35Å; K25-F279 HydrophobicContact CG-CE1 3.83Å; K25-F279 HydrophobicContact CG-CE2 4.08Å; K25-F279 HydrophobicContact CG-CZ 3.67Å |
| 26 | R | 89.1 | Confident | 90.5 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 18% | 0.177 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.4 | -177.2 | -75.9 | 170.4 | 173.3 | -162.3 | -12 | 111.2 | N21 L24 W39 E40 | N21-R26 PolarHBondContact N-O 2.96Å; N21-R26 PolarHBondContact O-N 3.34Å; L24-R26 HydrophobicContact CB-CG 4.41Å; L24-R26 PolarHBondContact O-N 3.07Å; R26-W39 CarbonylContact C-O 3.53Å; R26-W39 WeakPolarHBondContact CA-O 3.47Å; R26-E40 IonicContact NH2-OE1 3.7Å |
| 27 | I | 91.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.3 | 169.1 | -50.3 | 163.7 | 0 | 0 | 0 | 106.9 | I18 T29 F38 W39 F42 L285 | I18-I27 HydrophobicContact CG2-CG2 3.81Å; I27-T29 HydrophobicContact CG2-CG2 4.17Å; I27-F38 CarbonylContact O-C 3.31Å; I27-F38 WeakPolarHBondContact O-CA 3.43Å; I27-W39 HydrophobicContact CB-CB 4.23Å; I27-W39 PolarHBondContact N-O 3.32Å; I27-W39 PolarHBondContact O-N 3.04Å; I27-F42 HydrophobicContact CD1-CD2 4.15Å; I27-F42 HydrophobicContact CD1-CE2 3.9Å; I27-F42 HydrophobicContact CD1-CZ 4.13Å; I27-F42 HydrophobicContact CG2-CE2 4.41Å; I27-F42 HydrophobicContact CG2-CZ 3.85Å; I27-L285 HydrophobicContact CB-CD1 4.38Å; I27-L285 HydrophobicContact CD1-CD1 3.66Å; I27-L285 HydrophobicContact CD1-CD2 3.99Å; I27-L285 HydrophobicContact CD1-CG 4.49Å; I27-L285 HydrophobicContact CG1-CD1 3.68Å; I27-L285 HydrophobicContact CG2-CD1 3.81Å |
| 28 | V | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.7 | 177.4 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | I18 C19 N21 L36 R37 F38 V59 V61 V66 | I18-V28 WeakPolarHBondContact CA-O 3.49Å; C19-V28 PolarHBondContact N-O 2.97Å; C19-V28 PolarHBondContact O-N 3.1Å; N21-V28 HydrophobicContact CB-CG2 4.41Å; V28-L36 HydrophobicContact CG1-CD1 3.69Å; V28-L36 HydrophobicContact CG1-CG 4.2Å; V28-R37 CarbonylContact C-O 3.52Å; V28-R37 WeakPolarHBondContact CA-O 3.41Å; V28-F38 HydrophobicContact CG1-CD1 4.33Å; V28-F38 HydrophobicContact CG1-CE1 4.12Å; V28-F38 HydrophobicContact CG1-CZ 4.31Å; V28-F38 HydrophobicContact CG2-CD1 3.69Å; V28-F38 HydrophobicContact CG2-CE1 3.77Å; V28-V59 HydrophobicContact CG1-CG1 4.08Å; V28-V61 HydrophobicContact CG2-CG2 4.22Å; V28-V66 HydrophobicContact CG1-CG1 4.08Å |
| 29 | T | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.8 | 178.2 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | H11 S17 I18 I27 R37 W39 F42 V293 | H11-T29 PolarHBondContact CE1-O 3.22Å; H11-T29 VanDerWaalsContact CE1-O 3.32Å; H11-T29 VanDerWaalsContact NE2-C 3.35Å; H11-T29 WeakPolarHBondContact NE2-CB 3.4Å; H11-T29 PolarHBondContact NE2-O 3.47Å; H11-T29 PolarHBondContact NE2-OG1 3.2Å; S17-T29 VanDerWaalsContact O-CA 3.25Å; S17-T29 WeakPolarHBondContact O-CA 3.23Å; I18-T29 HydrophobicContact CD1-CG2 4.46Å; I18-T29 HydrophobicContact CG1-CG2 3.92Å; I18-T29 HydrophobicContact CG2-CG2 4.45Å; I27-T29 HydrophobicContact CG2-CG2 4.17Å; T29-R37 PolarHBondContact N-O 3.13Å; T29-R37 PolarHBondContact O-N 2.9Å; T29-W39 PolarHBondContact OG1-NE1 3Å; T29-F42 HydrophobicContact CG2-CE1 4.45Å; T29-F42 HydrophobicContact CG2-CZ 4.27Å; T29-V293 HydrophobicContact CG2-CG1 4.46Å |
| 30 | G | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 146.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | H11 T16 S17 | H11-G30 VanDerWaalsContact CE1-CA 3.42Å; H11-G30 WeakPolarHBondContact CE1-CA 3.45Å; T16-G30 CarbonylContact C-O 3.58Å; T16-G30 WeakPolarHBondContact CA-O 3.42Å; S17-G30 PolarHBondContact N-O 3.28Å; S17-G30 PolarHBondContact O-N 2.97Å; S17-G30 VanDerWaalsContact O-N 3.14Å |
| 31 | G | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -160.8 | -168.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | H11 I15 D33 G34 V56 | H11-G31 PolarHBondContact ND1-N 2.93Å; H11-G31 VanDerWaalsContact ND1-N 3.19Å; I15-G31 WeakPolarHBondContact O-CA 3.34Å; G31-D33 PolarHBondContact O-N 3.38Å; G31-D33 VanDerWaalsContact O-N 3.13Å; G31-G34 PolarHBondContact O-N 3.37Å; G31-G34 VanDerWaalsContact O-N 3.1Å; G31-V56 CarbonylContact C-O 3.51Å; G31-V56 WeakPolarHBondContact CA-O 3.41Å; G31-V56 PolarHBondContact O-N 3.36Å | ||
| 32 | A | 90.3 | Very high | 89.1 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -2.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q13 E55 | Q13-A32 WeakPolarHBondContact O-CB 3.36Å; A32-E55 HydrophobicContact CB-CG 4.34Å |
| 33 | D | 91.1 | Very high | 88.6 | Confident | 47 Ų | 47 | 38.5 Ų | 38.5 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 1 | 168.3 | 62.4 | -10.6 | 0 | 0 | 0 | 113.4 | H11 G31 Q35 R37 | H11-D33 WeakPolarHBondContact CA-OD2 3.44Å; H11-D33 IonicContact CE1-OD1 2.81Å; H11-D33 IonicContact CG-OD1 2.75Å; H11-D33 IonicContact ND1-OD1 2.82Å; H11-D33 PolarHBondContact ND1-OD1 3.33Å; H11-D33 IonicContact ND1-OD2 2.58Å; G31-D33 PolarHBondContact O-N 3.38Å; G31-D33 VanDerWaalsContact O-N 3.13Å; D33-Q35 PolarHBondContact O-N 3.36Å; D33-Q35 PolarHBondContact OD1-N 2.98Å; D33-R37 IonicContact OD1-NH1 3.14Å; D33-R37 IonicContact OD2-CZ 3.14Å; D33-R37 IonicContact OD2-NH1 3.81Å; D33-R37 PolarHBondContact OD2-NH1 2.83Å; D33-R37 IonicContact OD2-NH2 2.7Å; D33-R37 PolarHBondContact OD2-NH2 2.7Å |
| 34 | G | 91.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 72.1 | 13.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | G31 V52 A53 E54 | G31-G34 PolarHBondContact O-N 3.37Å; G31-G34 VanDerWaalsContact O-N 3.1Å; G34-V52 WeakPolarHBondContact O-CA 3.32Å; G34-V52 WeakPolarHBondContact O-CB 3.42Å; G34-V52 PolarHBondContact O-N 2.96Å; G34-A53 PolarHBondContact O-N 3.5Å; G34-E54 WeakPolarHBondContact CA-O 3.48Å |
| 35 | Q | 91.7 | Very high | 87 | Confident | 56 Ų | 56 | 35.1 Ų | 35.1 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 147.3 | -179.3 | -62.6 | -175.3 | 5 | 0 | 0 | 111.2 | H11 D33 T49 Y50 | H11-Q35 PolarHBondContact CE1-O 3.41Å; H11-Q35 PolarHBondContact ND1-O 2.68Å; D33-Q35 PolarHBondContact O-N 3.36Å; D33-Q35 PolarHBondContact OD1-N 2.98Å; Q35-T49 HydrophobicContact CB-CG2 4.07Å; Q35-T49 HydrophobicContact CG-CG2 4.36Å; Q35-T49 VanDerWaalsContact OE1-CG2 3.23Å; Q35-Y50 CarbonylContact C-O 3.48Å; Q35-Y50 WeakPolarHBondContact CA-O 3.13Å |
| 36 | L | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.3 | 170.4 | -174.2 | 71.5 | 0 | 0 | 0 | 108.2 | V28 F38 T49 Y50 V52 V59 V66 V68 | V28-L36 HydrophobicContact CG1-CD1 3.69Å; V28-L36 HydrophobicContact CG1-CG 4.2Å; L36-F38 HydrophobicContact CD2-CE2 3.64Å; L36-F38 HydrophobicContact CD2-CZ 3.8Å; L36-F38 HydrophobicContact CG-CE2 3.85Å; L36-F38 HydrophobicContact CG-CZ 4.31Å; L36-T49 WeakPolarHBondContact O-CA 3.45Å; L36-Y50 PolarHBondContact N-O 3.26Å; L36-Y50 PolarHBondContact O-N 3.32Å; L36-V52 HydrophobicContact CB-CG2 4.13Å; L36-V59 HydrophobicContact CD1-CG1 4.07Å; L36-V59 HydrophobicContact CD1-CG2 4.03Å; L36-V66 HydrophobicContact CD1-CG1 4.29Å; L36-V66 HydrophobicContact CD2-CG1 4.12Å; L36-V68 HydrophobicContact CD1-CG2 4.15Å; L36-V68 HydrophobicContact CD2-CG2 3.99Å |
| 37 | R | 91.4 | Very high | 86.5 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.7 | -174.5 | -68.1 | -171.5 | -178.5 | 87.9 | -7.1 | 111.7 | G10 H11 V28 T29 D33 W39 P47 Q48 T49 | G10-R37 PolarHBondContact O-NE 3.45Å; G10-R37 PolarHBondContact O-NH1 3.19Å; G10-R37 PolarHBondContact O-NH2 2.96Å; H11-R37 PolarHBondContact CE1-NH1 2.88Å; H11-R37 VanDerWaalsContact CG-NH1 3.31Å; H11-R37 PolarHBondContact ND1-NH1 3.14Å; V28-R37 CarbonylContact C-O 3.52Å; V28-R37 WeakPolarHBondContact CA-O 3.41Å; T29-R37 PolarHBondContact N-O 3.13Å; T29-R37 PolarHBondContact O-N 2.9Å; D33-R37 IonicContact OD1-NH1 3.14Å; D33-R37 IonicContact OD2-CZ 3.14Å; D33-R37 IonicContact OD2-NH1 3.81Å; D33-R37 PolarHBondContact OD2-NH1 2.83Å; D33-R37 IonicContact OD2-NH2 2.7Å; D33-R37 PolarHBondContact OD2-NH2 2.7Å; R37-W39 HydrophobicContact CB-CZ2 4.14Å; R37-P47 HydrophobicContact CB-CB 4.03Å; R37-P47 HydrophobicContact CG-CB 4.44Å; R37-P47 HydrophobicContact CG-CG 4.47Å; R37-Q48 CarbonylContact C-O 3.59Å; R37-Q48 WeakPolarHBondContact CA-O 3.41Å; R37-T49 HydrophobicContact CG-CG2 3.89Å |
| 38 | F | 91.5 | Very high | 86.3 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.8 | 177.7 | -63.7 | -103.9 | 0 | 0 | 0 | 109.2 | I27 V28 L36 P47 Q48 Y50 V66 S80 | I27-F38 CarbonylContact O-C 3.31Å; I27-F38 WeakPolarHBondContact O-CA 3.43Å; V28-F38 HydrophobicContact CG1-CD1 4.33Å; V28-F38 HydrophobicContact CG1-CE1 4.12Å; V28-F38 HydrophobicContact CG1-CZ 4.31Å; V28-F38 HydrophobicContact CG2-CD1 3.69Å; V28-F38 HydrophobicContact CG2-CE1 3.77Å; L36-F38 HydrophobicContact CD2-CE2 3.64Å; L36-F38 HydrophobicContact CD2-CZ 3.8Å; L36-F38 HydrophobicContact CG-CE2 3.85Å; L36-F38 HydrophobicContact CG-CZ 4.31Å; F38-P47 CarbonylContact O-C 3.48Å; F38-P47 WeakPolarHBondContact O-CA 3.44Å; F38-P47 WeakPolarHBondContact O-CB 3.49Å; F38-Q48 HydrophobicContact CB-CB 4.33Å; F38-Q48 PolarHBondContact N-O 3.34Å; F38-Q48 PolarHBondContact O-N 3.17Å; F38-Y50 AromaticContact CD2-CD2 3.68Å; F38-Y50 HydrophobicContact CD2-CD2 3.68Å; F38-Y50 AromaticContact CD2-CE2 3.66Å; F38-Y50 HydrophobicContact CD2-CE2 3.66Å; F38-Y50 AromaticContact CE2-CD2 3.52Å; F38-Y50 HydrophobicContact CE2-CD2 3.52Å; F38-Y50 AromaticContact CE2-CE2 3.72Å; F38-Y50 HydrophobicContact CE2-CE2 3.72Å; F38-V66 HydrophobicContact CE1-CG2 3.78Å; F38-V66 HydrophobicContact CZ-CG2 3.82Å; F38-S80 WeakPolarHBondContact CE1-O 3.47Å |
| 39 | W | 89 | Confident | 86.1 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.4 | -175.9 | -43.6 | 76.3 | 0 | 0 | 0 | 110.2 | R26 I27 T29 R37 F42 P47 V293 | R26-W39 CarbonylContact C-O 3.53Å; R26-W39 WeakPolarHBondContact CA-O 3.47Å; I27-W39 HydrophobicContact CB-CB 4.23Å; I27-W39 PolarHBondContact N-O 3.32Å; I27-W39 PolarHBondContact O-N 3.04Å; T29-W39 PolarHBondContact OG1-NE1 3Å; R37-W39 HydrophobicContact CB-CZ2 4.14Å; W39-F42 HydrophobicContact CB-CD1 4.46Å; W39-F42 HydrophobicContact CB-CE1 4.33Å; W39-F42 AromaticContact CD1-CE1 3.86Å; W39-F42 AromaticContact CD2-CD1 3.79Å; W39-F42 HydrophobicContact CD2-CD1 3.79Å; W39-F42 AromaticContact CD2-CE1 3.65Å; W39-F42 HydrophobicContact CD2-CE1 3.65Å; W39-F42 AromaticContact CE2-CE1 3.81Å; W39-F42 AromaticContact CE3-CD1 3.86Å; W39-F42 HydrophobicContact CE3-CD1 3.86Å; W39-F42 HydrophobicContact CE3-CE1 4.2Å; W39-F42 HydrophobicContact CG-CD1 4.08Å; W39-F42 AromaticContact CG-CE1 3.71Å; W39-F42 HydrophobicContact CG-CE1 3.71Å; W39-F42 HydrophobicContact CZ2-CE1 4.45Å; W39-F42 HydrophobicContact CZ3-CD1 4.39Å; W39-F42 AromaticContact NE1-CE1 3.91Å; W39-P47 HydrophobicContact CD2-CB 3.66Å; W39-P47 HydrophobicContact CD2-CG 4.2Å; W39-P47 HydrophobicContact CE3-CB 3.69Å; W39-P47 HydrophobicContact CE3-CG 3.87Å; W39-P47 HydrophobicContact CG-CB 4.21Å; W39-P47 HydrophobicContact CH2-CB 4.16Å; W39-P47 HydrophobicContact CH2-CG 3.6Å; W39-P47 HydrophobicContact CZ2-CB 4.12Å; W39-P47 HydrophobicContact CZ2-CG 3.93Å; W39-P47 HydrophobicContact CZ3-CB 3.93Å; W39-P47 HydrophobicContact CZ3-CG 3.55Å; W39-V293 HydrophobicContact CH2-CG2 4.3Å; W39-V293 HydrophobicContact CZ2-CG2 4.04Å |
| 40 | E | 86.1 | Confident | 85.9 | Confident | 128 Ų | 128 | 39.3 Ų | 39.3 | 60% | 0.598 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -83.2 | -40.5 | 167.1 | -61.6 | -175.2 | 166.9 | 0 | 0 | 110.2 | R26 | R26-E40 IonicContact NH2-OE1 3.7Š|
| 41 | N | 83.3 | Confident | 85.7 | Confident | 63 Ų | 63 | 44.9 Ų | 44.9 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | trans | -155.1 | 167.9 | 168.4 | 62.5 | 60.4 | 0 | 0 | 0 | 109.8 | E43 D44 S45 | N41-E43 PolarHBondContact OD1-N 3.45Å; N41-D44 PolarHBondContact OD1-N 3.41Å; N41-D44 VanDerWaalsContact OD1-N 3.1Å; N41-S45 PolarHBondContact O-OG 3.06Å; N41-S45 PolarHBondContact OD1-N 3.33Å | ||
| 42 | F | 82.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.044 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.4 | -4.8 | 176.2 | -65.5 | -52.6 | 0 | 0 | 0 | 114.4 | I27 T29 W39 L285 V293 G294 | I27-F42 HydrophobicContact CD1-CD2 4.15Å; I27-F42 HydrophobicContact CD1-CE2 3.9Å; I27-F42 HydrophobicContact CD1-CZ 4.13Å; I27-F42 HydrophobicContact CG2-CE2 4.41Å; I27-F42 HydrophobicContact CG2-CZ 3.85Å; T29-F42 HydrophobicContact CG2-CE1 4.45Å; T29-F42 HydrophobicContact CG2-CZ 4.27Å; W39-F42 HydrophobicContact CB-CD1 4.46Å; W39-F42 HydrophobicContact CB-CE1 4.33Å; W39-F42 AromaticContact CD1-CE1 3.86Å; W39-F42 AromaticContact CD2-CD1 3.79Å; W39-F42 HydrophobicContact CD2-CD1 3.79Å; W39-F42 AromaticContact CD2-CE1 3.65Å; W39-F42 HydrophobicContact CD2-CE1 3.65Å; W39-F42 AromaticContact CE2-CE1 3.81Å; W39-F42 AromaticContact CE3-CD1 3.86Å; W39-F42 HydrophobicContact CE3-CD1 3.86Å; W39-F42 HydrophobicContact CE3-CE1 4.2Å; W39-F42 HydrophobicContact CG-CD1 4.08Å; W39-F42 AromaticContact CG-CE1 3.71Å; W39-F42 HydrophobicContact CG-CE1 3.71Å; W39-F42 HydrophobicContact CZ2-CE1 4.45Å; W39-F42 HydrophobicContact CZ3-CD1 4.39Å; W39-F42 AromaticContact NE1-CE1 3.91Å; F42-L285 HydrophobicContact CD2-CD2 4.2Å; F42-L285 HydrophobicContact CE2-CB 4.33Å; F42-L285 HydrophobicContact CE2-CD2 3.95Å; F42-V293 HydrophobicContact CD1-CB 4.41Å; F42-V293 HydrophobicContact CD1-CG2 3.78Å; F42-V293 HydrophobicContact CE1-CB 3.82Å; F42-V293 HydrophobicContact CE1-CG2 3.45Å; F42-V293 VanDerWaalsContact CE1-CG2 3.45Å; F42-V293 HydrophobicContact CE2-CB 4.46Å; F42-V293 HydrophobicContact CZ-CB 3.84Å; F42-V293 HydrophobicContact CZ-CG2 4.02Å; F42-G294 VanDerWaalsContact CD2-CA 3.4Å |
| 43 | E | 73.4 | Confident | 84.9 | Confident | 70 Ų | 70 | 49 Ų | 49 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -90 | -38.5 | -161.8 | -55.9 | -173.7 | 176.4 | 0 | 0 | 112.6 | T4 A5 N41 K652 | T4-E43 WeakPolarHBondContact CB-OE1 3.36Å; T4-E43 PolarHBondContact OG1-OE1 2.98Å; A5-E43 HydrophobicContact CB-CB 4.17Å; A5-E43 HydrophobicContact CB-CG 3.88Å; N41-E43 PolarHBondContact OD1-N 3.45Å; E43-K652 PolarHBondContact O-NZ 2.87Å |
| 44 | D | 63 | Low | 84.7 | Confident | 100 Ų | 100 | 48.7 Ų | 48.7 | 54% | 0.535 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -143 | -6.7 | 179.6 | -75.4 | -59 | 0 | 0 | 0 | 114.8 | N41 K652 | N41-D44 PolarHBondContact OD1-N 3.41Å; N41-D44 VanDerWaalsContact OD1-N 3.1Å; D44-K652 VanDerWaalsContact OD1-CD 3.31Å; D44-K652 WeakPolarHBondContact OD1-CD 3.39Å; D44-K652 WeakPolarHBondContact OD1-CE 3.18Å; D44-K652 IonicContact OD1-NZ 2.73Å; D44-K652 PolarHBondContact OD1-NZ 3.01Å; D44-K652 IonicContact OD2-NZ 3.52Å; D44-K652 PolarHBondContact OD2-NZ 2.84Å |
| 45 | S | 69.9 | Low | 84.7 | Confident | 19 Ų | 19 | 52 Ų | 52 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 146.7 | -177.5 | 86.1 | 0 | 0 | 0 | 0 | 114.3 | R8 N41 | R8-S45 PolarHBondContact NH2-O 3.16Å; N41-S45 PolarHBondContact O-OG 3.06Å; N41-S45 PolarHBondContact OD1-N 3.33Å |
| 46 | V | 80 | Confident | 84.8 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 42% | 0.418 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 127.1 | 164.6 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | A392 | V46-A392 HydrophobicContact CG1-CB 4.2Å; V46-A392 HydrophobicContact CG2-CB 4.34Å |
| 47 | P | 86.4 | Confident | 84.8 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 142.1 | -175.3 | 29.4 | -34.9 | 0 | 0 | 0 | 112.2 | R37 F38 W39 T49 | R37-P47 HydrophobicContact CB-CB 4.03Å; R37-P47 HydrophobicContact CG-CB 4.44Å; R37-P47 HydrophobicContact CG-CG 4.47Å; F38-P47 CarbonylContact O-C 3.48Å; F38-P47 WeakPolarHBondContact O-CA 3.44Å; F38-P47 WeakPolarHBondContact O-CB 3.49Å; W39-P47 HydrophobicContact CD2-CB 3.66Å; W39-P47 HydrophobicContact CD2-CG 4.2Å; W39-P47 HydrophobicContact CE3-CB 3.69Å; W39-P47 HydrophobicContact CE3-CG 3.87Å; W39-P47 HydrophobicContact CG-CB 4.21Å; W39-P47 HydrophobicContact CH2-CB 4.16Å; W39-P47 HydrophobicContact CH2-CG 3.6Å; W39-P47 HydrophobicContact CZ2-CB 4.12Å; W39-P47 HydrophobicContact CZ2-CG 3.93Å; W39-P47 HydrophobicContact CZ3-CB 3.93Å; W39-P47 HydrophobicContact CZ3-CG 3.55Å; P47-T49 PolarHBondContact O-N 3.1Å; P47-T49 PolarHBondContact O-OG1 3.2Å |
| 48 | Q | 86.6 | Confident | 84.9 | Confident | 87 Ų | 87 | 49 Ų | 49 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 127.2 | 160.3 | -67.4 | -176.8 | -40.8 | 0 | 0 | 107.7 | R37 F38 Y50 | R37-Q48 CarbonylContact C-O 3.59Å; R37-Q48 WeakPolarHBondContact CA-O 3.41Å; F38-Q48 HydrophobicContact CB-CB 4.33Å; F38-Q48 PolarHBondContact N-O 3.34Å; F38-Q48 PolarHBondContact O-N 3.17Å; Q48-Y50 HydrophobicContact CB-CE2 4.1Å |
| 49 | T | 89.6 | Confident | 85.1 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130 | -168.6 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | Q35 L36 R37 P47 | Q35-T49 HydrophobicContact CB-CG2 4.07Å; Q35-T49 HydrophobicContact CG-CG2 4.36Å; Q35-T49 VanDerWaalsContact OE1-CG2 3.23Å; L36-T49 WeakPolarHBondContact O-CA 3.45Å; R37-T49 HydrophobicContact CG-CG2 3.89Å; P47-T49 PolarHBondContact O-N 3.1Å; P47-T49 PolarHBondContact O-OG1 3.2Å |
| 50 | Y | 89.5 | Confident | 85.3 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.6 | -179.2 | -60.2 | -81.9 | 0 | 0 | 0 | 109.9 | Q35 L36 F38 Q48 T82 | Q35-Y50 CarbonylContact C-O 3.48Å; Q35-Y50 WeakPolarHBondContact CA-O 3.13Å; L36-Y50 PolarHBondContact N-O 3.26Å; L36-Y50 PolarHBondContact O-N 3.32Å; F38-Y50 AromaticContact CD2-CD2 3.68Å; F38-Y50 HydrophobicContact CD2-CD2 3.68Å; F38-Y50 AromaticContact CD2-CE2 3.66Å; F38-Y50 HydrophobicContact CD2-CE2 3.66Å; F38-Y50 AromaticContact CE2-CD2 3.52Å; F38-Y50 HydrophobicContact CE2-CD2 3.52Å; F38-Y50 AromaticContact CE2-CE2 3.72Å; F38-Y50 HydrophobicContact CE2-CE2 3.72Å; Q48-Y50 HydrophobicContact CB-CE2 4.1Å; Y50-T82 WeakPolarHBondContact CE1-O 3.48Å; Y50-T82 PolarHBondContact OH-O 3.41Å |
| 51 | D | 88.3 | Confident | 85.7 | Confident | 117 Ų | 117 | 44.6 Ų | 44.6 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.3 | -178.6 | -161.4 | -10.9 | 0 | 0 | 0 | 110 | A53 | D51-A53 WeakPolarHBondContact OD1-CA 3.47Å; D51-A53 PolarHBondContact OD1-N 3.38Å |
| 52 | V | 86 | Confident | 86 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | trans | -97.6 | -10.8 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | G34 L36 E54 V56 V68 T70 | G34-V52 WeakPolarHBondContact O-CA 3.32Å; G34-V52 WeakPolarHBondContact O-CB 3.42Å; G34-V52 PolarHBondContact O-N 2.96Å; L36-V52 HydrophobicContact CB-CG2 4.13Å; V52-E54 PolarHBondContact O-N 3.22Å; V52-V56 HydrophobicContact CB-CG2 4.33Å; V52-V56 HydrophobicContact CG1-CG2 4.49Å; V52-V56 HydrophobicContact CG2-CG2 4.36Å; V52-V68 HydrophobicContact CG1-CG1 4.24Å; V52-V68 HydrophobicContact CG2-CG1 4.42Å; V52-T70 HydrophobicContact CG1-CG2 4.25Å | ||
| 53 | A | 80 | Confident | 86.2 | Confident | 85 Ų | 85 | 46.9 Ų | 46.9 | 70% | 0.702 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 58.4 | 4.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G34 D51 | G34-A53 PolarHBondContact O-N 3.5Å; D51-A53 WeakPolarHBondContact OD1-CA 3.47Å; D51-A53 PolarHBondContact OD1-N 3.38Å |
| 54 | E | 87.9 | Confident | 86.9 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -136.1 | 142.3 | 177.8 | -60.6 | -172.2 | 175.8 | 0 | 0 | 110.4 | G34 V52 V56 T70 K72 | G34-E54 WeakPolarHBondContact CA-O 3.48Å; V52-E54 PolarHBondContact O-N 3.22Å; E54-V56 PolarHBondContact O-N 3.42Å; E54-V56 VanDerWaalsContact O-N 3.17Å; E54-T70 HydrophobicContact CB-CG2 3.98Å; E54-T70 VanDerWaalsContact OE2-CB 3.24Å; E54-T70 WeakPolarHBondContact OE2-CB 3.15Å; E54-T70 PolarHBondContact OE2-OG1 3.47Å; E54-K72 VanDerWaalsContact CD-CE 3.48Å; E54-K72 HydrophobicContact CG-CD 4.44Å; E54-K72 VanDerWaalsContact OE1-CD 3.24Å; E54-K72 WeakPolarHBondContact OE1-CD 3.44Å; E54-K72 WeakPolarHBondContact OE1-CE 3.37Å; E54-K72 IonicContact OE1-NZ 3.76Å; E54-K72 PolarHBondContact OE1-NZ 3.4Å; E54-K72 WeakPolarHBondContact OE2-CG 3.42Å |
| 55 | E | 91.1 | Very high | 88.2 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | trans | -51.6 | 122 | 179 | -64.5 | -162 | -173.5 | 0 | 0 | 111.6 | A32 T70 E71 R181 | A32-E55 HydrophobicContact CB-CG 4.34Å; E55-T70 CarbonylContact O-C 3.51Å; E55-T70 VanDerWaalsContact O-CA 3.28Å; E55-T70 WeakPolarHBondContact O-CA 3.23Å; E55-E71 HydrophobicContact CB-CB 4.06Å; E55-E71 PolarHBondContact O-N 3.03Å; E55-R181 IonicContact OE1-NH2 3.22Å; E55-R181 IonicContact OE2-CZ 3.64Å; E55-R181 IonicContact OE2-NH2 3.43Å; E55-R181 PolarHBondContact OE2-NH2 2.98Å | ||
| 56 | V | 93.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.2 | 179.5 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | G31 V52 E54 V59 V68 A69 | G31-V56 CarbonylContact C-O 3.51Å; G31-V56 WeakPolarHBondContact CA-O 3.41Å; G31-V56 PolarHBondContact O-N 3.36Å; V52-V56 HydrophobicContact CB-CG2 4.33Å; V52-V56 HydrophobicContact CG1-CG2 4.49Å; V52-V56 HydrophobicContact CG2-CG2 4.36Å; E54-V56 PolarHBondContact O-N 3.42Å; E54-V56 VanDerWaalsContact O-N 3.17Å; V56-V59 HydrophobicContact CG1-CG2 3.54Å; V56-V68 HydrophobicContact CB-CG1 4.3Å; V56-V68 HydrophobicContact CG1-CG1 3.72Å; V56-V68 HydrophobicContact CG2-CG1 3.65Å; V56-A69 CarbonylContact C-O 3.55Å; V56-A69 WeakPolarHBondContact CA-O 3.33Å |
| 57 | T | 92 | Very high | 90.1 | Very high | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -28.2 | -175.3 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | A69 E71 I96 | T57-A69 PolarHBondContact N-O 2.88Å; T57-E71 HydrophobicContact CG2-CB 4.48Å; T57-I96 VanDerWaalsContact CB-O 3.24Å; T57-I96 WeakPolarHBondContact CB-O 3.29Å; T57-I96 PolarHBondContact OG1-O 3.22Å |
| 58 | A | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A69 M99 | A58-A69 HydrophobicContact CB-CB 3.95Å; A58-A69 WeakPolarHBondContact O-CB 3.46Å; A58-A69 PolarHBondContact O-N 3.48Å; A58-M99 HydrophobicContact CB-CB 4.21Å; A58-M99 HydrophobicContact CB-CG 4.47Å |
| 59 | V | 94.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.5 | 174.9 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | S17 C19 V28 L36 V56 V66 L67 | S17-V59 PolarHBondContact OG-N 2.97Å; C19-V59 VanDerWaalsContact SG-CG1 3.55Å; V28-V59 HydrophobicContact CG1-CG1 4.08Å; L36-V59 HydrophobicContact CD1-CG1 4.07Å; L36-V59 HydrophobicContact CD1-CG2 4.03Å; V56-V59 HydrophobicContact CG1-CG2 3.54Å; V59-V66 HydrophobicContact CG1-CG1 3.37Å; V59-L67 CarbonylContact C-O 3.46Å; V59-L67 VanDerWaalsContact CA-O 3.31Å; V59-L67 WeakPolarHBondContact CA-O 3.44Å |
| 60 | A | 94.6 | Very high | 91 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L67 V101 | A60-L67 HydrophobicContact CB-CB 4.38Å; A60-L67 PolarHBondContact N-O 2.73Å; A60-L67 PolarHBondContact O-N 3.2Å; A60-V101 HydrophobicContact CB-CB 4.27Å; A60-V101 HydrophobicContact CB-CG1 4.07Å |
| 61 | V | 93.1 | Very high | 91.1 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.5 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | N21 V28 I65 V66 V101 | N21-V61 HydrophobicContact CB-CG1 3.95Å; V28-V61 HydrophobicContact CG2-CG2 4.22Å; V61-I65 WeakPolarHBondContact CA-O 3.46Å; V61-V66 HydrophobicContact CG2-CG1 4.46Å; V61-V66 HydrophobicContact CG2-CG2 4.26Å; V61-V101 VanDerWaalsContact O-CG1 3.27Å; V61-V101 WeakPolarHBondContact O-CG1 3.49Å |
| 62 | Y | 90.8 | Very high | 91.2 | Very high | 76 Ų | 76 | 34.8 Ų | 34.8 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 110.1 | 174 | 178.6 | -102.8 | 0 | 0 | 0 | 110.3 | D64 I65 V101 G105 L121 | Y62-D64 PolarHBondContact O-N 3.45Å; Y62-I65 PolarHBondContact N-O 2.8Å; Y62-I65 PolarHBondContact O-N 3.28Å; Y62-V101 HydrophobicContact CD2-CG2 4.23Å; Y62-V101 HydrophobicContact CG-CG2 4.25Å; Y62-G105 VanDerWaalsContact CE2-N 3.34Å; Y62-L121 HydrophobicContact CD1-CD1 3.88Å; Y62-L121 HydrophobicContact CG-CD1 4.04Å |
| 63 | G | 86.5 | Confident | 91.5 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 45% | 0.454 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -120.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 64 | D | 87.6 | Confident | 92.2 | Very high | 67 Ų | 67 | 30.8 Ų | 30.8 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.6 | 177.9 | -62.9 | -66.1 | 0 | 0 | 0 | 114 | K23 Y62 S80 | K23-D64 VanDerWaalsContact CD-OD1 3.32Å; K23-D64 WeakPolarHBondContact CD-OD1 3.44Å; K23-D64 WeakPolarHBondContact CE-OD1 3.46Å; K23-D64 IonicContact NZ-OD1 3.76Å; K23-D64 PolarHBondContact NZ-OD1 2.92Å; K23-D64 IonicContact NZ-OD2 2.72Å; K23-D64 PolarHBondContact NZ-OD2 3.28Å; Y62-D64 PolarHBondContact O-N 3.45Å; D64-S80 VanDerWaalsContact C-OG 3.27Å; D64-S80 WeakPolarHBondContact CA-OG 3.21Å; D64-S80 WeakPolarHBondContact O-CB 3.35Å; D64-S80 PolarHBondContact O-N 2.66Å; D64-S80 PolarHBondContact O-OG 3.06Å |
| 65 | I | 91.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 28.9 Ų | 28.9 | 34% | 0.338 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.9 | -174.7 | -59.3 | 171.7 | 0 | 0 | 0 | 110.7 | V61 Y62 L67 A77 H78 | V61-I65 WeakPolarHBondContact CA-O 3.46Å; Y62-I65 PolarHBondContact N-O 2.8Å; Y62-I65 PolarHBondContact O-N 3.28Å; I65-L67 HydrophobicContact CG2-CD2 4.08Å; I65-L67 HydrophobicContact CG2-CG 4.35Å; I65-A77 HydrophobicContact CG2-CB 3.67Å; I65-H78 CarbonylContact C-O 3.6Å; I65-H78 WeakPolarHBondContact CA-O 3.46Å |
| 66 | V | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.8 | 166.4 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | V28 L36 F38 V59 V61 V68 A77 H78 | V28-V66 HydrophobicContact CG1-CG1 4.08Å; L36-V66 HydrophobicContact CD1-CG1 4.29Å; L36-V66 HydrophobicContact CD2-CG1 4.12Å; F38-V66 HydrophobicContact CE1-CG2 3.78Å; F38-V66 HydrophobicContact CZ-CG2 3.82Å; V59-V66 HydrophobicContact CG1-CG1 3.37Å; V61-V66 HydrophobicContact CG2-CG1 4.46Å; V61-V66 HydrophobicContact CG2-CG2 4.26Å; V66-V68 HydrophobicContact CG1-CG2 4.09Å; V66-A77 CarbonylContact O-C 3.58Å; V66-H78 HydrophobicContact CB-CB 4.48Å; V66-H78 PolarHBondContact N-O 3.13Å; V66-H78 PolarHBondContact O-N 2.74Å |
| 67 | L | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118 | 177.7 | -62.6 | 166.2 | 0 | 0 | 0 | 108.7 | V59 A60 I65 N76 A77 V89 M99 V101 L107 L121 | V59-L67 CarbonylContact C-O 3.46Å; V59-L67 VanDerWaalsContact CA-O 3.31Å; V59-L67 WeakPolarHBondContact CA-O 3.44Å; A60-L67 HydrophobicContact CB-CB 4.38Å; A60-L67 PolarHBondContact N-O 2.73Å; A60-L67 PolarHBondContact O-N 3.2Å; I65-L67 HydrophobicContact CG2-CD2 4.08Å; I65-L67 HydrophobicContact CG2-CG 4.35Å; L67-N76 CarbonylContact C-O 3.48Å; L67-N76 WeakPolarHBondContact CA-O 3.46Å; L67-A77 HydrophobicContact CD2-CB 4.1Å; L67-V89 HydrophobicContact CD2-CG2 3.86Å; L67-M99 HydrophobicContact CB-CE 4.02Å; L67-V101 HydrophobicContact CD1-CB 4.48Å; L67-V101 HydrophobicContact CD1-CG2 4.31Å; L67-L107 HydrophobicContact CD1-CD1 3.69Å; L67-L107 HydrophobicContact CD1-CD2 4.08Å; L67-L107 HydrophobicContact CD1-CG 4.36Å; L67-L121 HydrophobicContact CD1-CD1 3.88Å; L67-L121 HydrophobicContact CD1-CD2 4.06Å; L67-L121 HydrophobicContact CD2-CD2 4.16Å |
| 68 | V | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.9 | -173.7 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | L36 V52 V56 V66 V75 N76 | L36-V68 HydrophobicContact CD1-CG2 4.15Å; L36-V68 HydrophobicContact CD2-CG2 3.99Å; V52-V68 HydrophobicContact CG1-CG1 4.24Å; V52-V68 HydrophobicContact CG2-CG1 4.42Å; V56-V68 HydrophobicContact CB-CG1 4.3Å; V56-V68 HydrophobicContact CG1-CG1 3.72Å; V56-V68 HydrophobicContact CG2-CG1 3.65Å; V66-V68 HydrophobicContact CG1-CG2 4.09Å; V68-V75 WeakPolarHBondContact O-CA 3.42Å; V68-N76 PolarHBondContact N-O 3Å; V68-N76 PolarHBondContact O-N 3.44Å |
| 69 | A | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V56 T57 A58 I74 I96 M99 | V56-A69 CarbonylContact C-O 3.55Å; V56-A69 WeakPolarHBondContact CA-O 3.33Å; T57-A69 PolarHBondContact N-O 2.88Å; A58-A69 HydrophobicContact CB-CB 3.95Å; A58-A69 WeakPolarHBondContact O-CB 3.46Å; A58-A69 PolarHBondContact O-N 3.48Å; A69-I74 WeakPolarHBondContact CA-O 3.19Å; A69-I96 HydrophobicContact CB-CB 4.03Å; A69-I96 HydrophobicContact CB-CD1 4.11Å; A69-I96 HydrophobicContact CB-CG2 3.64Å; A69-M99 HydrophobicContact CB-CE 4.44Å; A69-M99 HydrophobicContact CB-CG 4.45Å; A69-M99 HydrophobicContact CB-SD 3.55Å; A69-M99 VanDerWaalsContact CB-SD 3.55Å |
| 70 | T | 92.8 | Very high | 91.9 | 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 | -107.4 | 158.6 | 177.9 | 81 | 0 | 0 | 0 | 0 | 113 | V52 E54 E55 K72 G73 I74 | V52-T70 HydrophobicContact CG1-CG2 4.25Å; E54-T70 HydrophobicContact CB-CG2 3.98Å; E54-T70 VanDerWaalsContact OE2-CB 3.24Å; E54-T70 WeakPolarHBondContact OE2-CB 3.15Å; E54-T70 PolarHBondContact OE2-OG1 3.47Å; E55-T70 CarbonylContact O-C 3.51Å; E55-T70 VanDerWaalsContact O-CA 3.28Å; E55-T70 WeakPolarHBondContact O-CA 3.23Å; T70-K72 PolarHBondContact O-N 3.22Å; T70-K72 PolarHBondContact OG1-N 3.25Å; T70-G73 PolarHBondContact O-N 3.49Å; T70-I74 PolarHBondContact N-O 3Å |
| 71 | E | 90.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.2 | 171.8 | 178 | 178.3 | -176.8 | 0 | 0 | 112.5 | E55 T57 G73 P95 R181 | E55-E71 HydrophobicContact CB-CB 4.06Å; E55-E71 PolarHBondContact O-N 3.03Å; T57-E71 HydrophobicContact CG2-CB 4.48Å; E71-G73 PolarHBondContact O-N 3.11Å; E71-P95 HydrophobicContact CG-CB 4.22Å; E71-P95 HydrophobicContact CG-CG 3.88Å; E71-P95 WeakPolarHBondContact O-CA 3.37Å; E71-P95 WeakPolarHBondContact O-CB 3.11Å; E71-P95 VanDerWaalsContact O-CG 3.26Å; E71-P95 WeakPolarHBondContact O-CG 3.36Å; E71-R181 IonicContact OE1-CZ 3.8Å; E71-R181 VanDerWaalsContact OE1-CZ 3.29Å; E71-R181 IonicContact OE1-NH1 2.79Å; E71-R181 PolarHBondContact OE1-NH1 3.41Å; E71-R181 IonicContact OE1-NH2 2.72Å; E71-R181 PolarHBondContact OE1-NH2 3.44Å; E71-R181 VanDerWaalsContact OE1-NH2 3.17Å; E71-R181 IonicContact OE2-CZ 2.67Å; E71-R181 IonicContact OE2-NH1 2.69Å; E71-R181 IonicContact OE2-NH2 3.78Å; E71-R181 PolarHBondContact OE2-NH2 2.84Å |
| 72 | K | 91.2 | Very high | 90.6 | Very high | 137 Ų | 137 | 33.4 Ų | 33.4 | 60% | 0.596 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 11.6 | 178.7 | -56.5 | -168 | -160.9 | 153.1 | 0 | 113.9 | E54 T70 I74 | E54-K72 VanDerWaalsContact CD-CE 3.48Å; E54-K72 HydrophobicContact CG-CD 4.44Å; E54-K72 VanDerWaalsContact OE1-CD 3.24Å; E54-K72 WeakPolarHBondContact OE1-CD 3.44Å; E54-K72 WeakPolarHBondContact OE1-CE 3.37Å; E54-K72 IonicContact OE1-NZ 3.76Å; E54-K72 PolarHBondContact OE1-NZ 3.4Å; E54-K72 WeakPolarHBondContact OE2-CG 3.42Å; T70-K72 PolarHBondContact O-N 3.22Å; T70-K72 PolarHBondContact OG1-N 3.25Å; K72-I74 VanDerWaalsContact C-N 3.32Å; K72-I74 HydrophobicContact CB-CD1 4.28Å; K72-I74 HydrophobicContact CB-CG1 4.4Å; K72-I74 PolarHBondContact O-N 2.63Å |
| 73 | G | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 76.4 | 16.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T70 E71 R91 F92 L94 I96 | T70-G73 PolarHBondContact O-N 3.49Å; E71-G73 PolarHBondContact O-N 3.11Å; G73-R91 CarbonylContact O-C 3.55Å; G73-R91 WeakPolarHBondContact O-CA 3.45Å; G73-F92 PolarHBondContact O-N 3.44Å; G73-L94 VanDerWaalsContact CA-O 3.28Å; G73-L94 WeakPolarHBondContact CA-O 3.5Å; G73-I96 VanDerWaalsContact C-CD1 3.45Å |
| 74 | I | 94.4 | Very high | 90 | Very high | 24 Ų | 24 | 34.4 Ų | 34.4 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 137.8 | -176.7 | -53.8 | 171.5 | 0 | 0 | 0 | 109.6 | A69 T70 K72 N76 T88 I96 | A69-I74 WeakPolarHBondContact CA-O 3.19Å; T70-I74 PolarHBondContact N-O 3Å; K72-I74 VanDerWaalsContact C-N 3.32Å; K72-I74 HydrophobicContact CB-CD1 4.28Å; K72-I74 HydrophobicContact CB-CG1 4.4Å; K72-I74 PolarHBondContact O-N 2.63Å; I74-N76 VanDerWaalsContact CG2-OD1 3.25Å; I74-N76 WeakPolarHBondContact CG2-OD1 3.43Å; I74-T88 HydrophobicContact CG2-CG2 3.71Å; I74-I96 WeakPolarHBondContact O-CD1 3.19Å |
| 75 | V | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.5 | 164.6 | -177 | 0 | 0 | 0 | 0 | 109.5 | V68 T88 V89 T90 I96 M99 L107 V109 | V68-V75 WeakPolarHBondContact O-CA 3.42Å; V75-T88 CarbonylContact O-C 3.59Å; V75-T88 WeakPolarHBondContact O-CA 3.36Å; V75-T88 WeakPolarHBondContact O-CG2 3.38Å; V75-V89 HydrophobicContact CB-CB 4.21Å; V75-V89 HydrophobicContact CG1-CB 3.95Å; V75-V89 HydrophobicContact CG1-CG2 4.34Å; V75-V89 PolarHBondContact O-N 3.1Å; V75-T90 HydrophobicContact CB-CG2 4.01Å; V75-T90 HydrophobicContact CG2-CG2 3.66Å; V75-T90 PolarHBondContact N-O 3.34Å; V75-I96 HydrophobicContact CG2-CD1 3.48Å; V75-I96 VanDerWaalsContact CG2-CD1 3.48Å; V75-M99 HydrophobicContact CB-SD 4.39Å; V75-M99 HydrophobicContact CG1-CE 3.71Å; V75-M99 HydrophobicContact CG1-SD 4.08Å; V75-M99 HydrophobicContact CG2-CE 4.19Å; V75-M99 HydrophobicContact CG2-SD 3.41Å; V75-M99 WeakPolarHBondContact CG2-SD 3.32Å; V75-L107 HydrophobicContact CG1-CD2 4.1Å; V75-V109 HydrophobicContact CG2-CG1 4.22Å; V75-V109 HydrophobicContact CG2-CG2 4.26Å |
| 76 | N | 94.1 | Very high | 90 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.2 | 174.3 | -66.5 | -30 | 0 | 0 | 0 | 110.9 | L67 V68 I74 F85 T88 | L67-N76 CarbonylContact C-O 3.48Å; L67-N76 WeakPolarHBondContact CA-O 3.46Å; V68-N76 PolarHBondContact N-O 3Å; V68-N76 PolarHBondContact O-N 3.44Å; I74-N76 VanDerWaalsContact CG2-OD1 3.25Å; I74-N76 WeakPolarHBondContact CG2-OD1 3.43Å; N76-F85 HydrophobicContact CB-CD2 3.96Å; N76-F85 HydrophobicContact CB-CE2 3.86Å; N76-F85 WeakPolarHBondContact OD1-CE2 3.41Å; N76-T88 PolarHBondContact OD1-OG1 3.43Å |
| 77 | A | 93.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | I65 V66 L67 D86 S87 V89 | I65-A77 HydrophobicContact CG2-CB 3.67Å; V66-A77 CarbonylContact O-C 3.58Å; L67-A77 HydrophobicContact CD2-CB 4.1Å; A77-D86 HydrophobicContact CB-CB 4.42Å; A77-D86 PolarHBondContact O-N 2.87Å; A77-S87 WeakPolarHBondContact CB-O 3.43Å; A77-S87 PolarHBondContact N-O 3.01Å; A77-S87 PolarHBondContact O-N 2.69Å; A77-V89 HydrophobicContact CB-CG2 4.02Å |
| 78 | H | 91.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145 | 175.1 | -69 | -108.9 | 0 | 0 | 0 | 109.4 | I65 V66 G83 E84 | I65-H78 CarbonylContact C-O 3.6Å; I65-H78 WeakPolarHBondContact CA-O 3.46Å; V66-H78 HydrophobicContact CB-CB 4.48Å; V66-H78 PolarHBondContact N-O 3.13Å; V66-H78 PolarHBondContact O-N 2.74Å; H78-G83 PolarHBondContact ND1-O 2.9Å; H78-E84 CarbonylContact C-O 3.59Å; H78-E84 WeakPolarHBondContact CA-O 3.41Å; H78-E84 WeakPolarHBondContact CB-O 3.44Å |
| 79 | E | 89.2 | Confident | 89.7 | Confident | 88 Ų | 88 | 41.9 Ų | 41.9 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.8 | 172.8 | 177.6 | 177.6 | -140.3 | 0 | 0 | 110.4 | A81 T82 G83 E84 | E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 HydrophobicContact CG-CB 4.38Å; E79-A81 PolarHBondContact O-N 3.5Å; E79-T82 WeakPolarHBondContact CB-OG1 3.43Å; E79-T82 WeakPolarHBondContact OE2-CB 3.41Å; E79-T82 WeakPolarHBondContact OE2-CG2 3.28Å; E79-T82 PolarHBondContact OE2-OG1 3.47Å; E79-G83 VanDerWaalsContact O-CA 3.22Å; E79-G83 WeakPolarHBondContact O-CA 3.22Å; E79-G83 PolarHBondContact O-N 3.33Å; E79-E84 PolarHBondContact N-O 3Å |
| 80 | S | 83.1 | Confident | 89.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -16.1 | -173.5 | 65 | 0 | 0 | 0 | 0 | 115.3 | N21 L24 F38 D64 | N21-S80 WeakPolarHBondContact ND2-CB 3.45Å; N21-S80 PolarHBondContact ND2-OG 2.94Å; N21-S80 VanDerWaalsContact ND2-OG 3.08Å; L24-S80 WeakPolarHBondContact CD1-O 3.37Å; L24-S80 WeakPolarHBondContact CD1-OG 3.49Å; F38-S80 WeakPolarHBondContact CE1-O 3.47Å; D64-S80 VanDerWaalsContact C-OG 3.27Å; D64-S80 WeakPolarHBondContact CA-OG 3.21Å; D64-S80 WeakPolarHBondContact O-CB 3.35Å; D64-S80 PolarHBondContact O-N 2.66Å; D64-S80 PolarHBondContact O-OG 3.06Å |
| 81 | A | 79.3 | Confident | 89.7 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E79 | E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 HydrophobicContact CG-CB 4.38Å; E79-A81 PolarHBondContact O-N 3.5Å |
| 82 | T | 79.6 | Confident | 89.8 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -16 | -172.1 | 58 | 0 | 0 | 0 | 0 | 113.5 | Y50 E79 E84 | Y50-T82 WeakPolarHBondContact CE1-O 3.48Å; Y50-T82 PolarHBondContact OH-O 3.41Å; E79-T82 WeakPolarHBondContact CB-OG1 3.43Å; E79-T82 WeakPolarHBondContact OE2-CB 3.41Å; E79-T82 WeakPolarHBondContact OE2-CG2 3.28Å; E79-T82 PolarHBondContact OE2-OG1 3.47Å; T82-E84 PolarHBondContact O-N 3.08Å; T82-E84 PolarHBondContact OG1-N 3.28Å |
| 83 | G | 80.1 | Confident | 89.8 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | trans | 70.8 | -4.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H78 E79 | H78-G83 PolarHBondContact ND1-O 2.9Å; E79-G83 VanDerWaalsContact O-CA 3.22Å; E79-G83 WeakPolarHBondContact O-CA 3.22Å; E79-G83 PolarHBondContact O-N 3.33Å | ||
| 84 | E | 85 | Confident | 89.7 | Confident | 136 Ų | 136 | 49.2 Ų | 49.2 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | trans | -67.9 | 147.7 | -174.2 | -67.7 | -171 | 172.5 | 0 | 0 | 111.8 | H78 E79 T82 D86 | H78-E84 CarbonylContact C-O 3.59Å; H78-E84 WeakPolarHBondContact CA-O 3.41Å; H78-E84 WeakPolarHBondContact CB-O 3.44Å; E79-E84 PolarHBondContact N-O 3Å; T82-E84 PolarHBondContact O-N 3.08Å; T82-E84 PolarHBondContact OG1-N 3.28Å; E84-D86 PolarHBondContact O-N 2.94Å | ||
| 85 | F | 90.1 | Very high | 89.5 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.7 | 174.7 | 168.1 | -91.7 | 0 | 0 | 0 | 110.2 | N76 | N76-F85 HydrophobicContact CB-CD2 3.96Å; N76-F85 HydrophobicContact CB-CE2 3.86Å; N76-F85 WeakPolarHBondContact OD1-CE2 3.41Å |
| 86 | D | 89.7 | Confident | 89.5 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -65.8 | 172.2 | 158.8 | 68.2 | 0 | 0 | 0 | 110.7 | A77 E84 | A77-D86 HydrophobicContact CB-CB 4.42Å; A77-D86 PolarHBondContact O-N 2.87Å; E84-D86 PolarHBondContact O-N 2.94Å |
| 87 | S | 91.4 | Very high | 89.4 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 153 | -172.1 | 66.7 | 0 | 0 | 0 | 0 | 114 | A77 K124 | A77-S87 WeakPolarHBondContact CB-O 3.43Å; A77-S87 PolarHBondContact N-O 3.01Å; A77-S87 PolarHBondContact O-N 2.69Å; S87-K124 PolarHBondContact OG-NZ 3.48Å |
| 88 | T | 93.1 | Very high | 89.4 | Confident | 41 Ų | 41 | 50 Ų | 50 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128.4 | 168.9 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | I74 V75 N76 R91 | I74-T88 HydrophobicContact CG2-CG2 3.71Å; V75-T88 CarbonylContact O-C 3.59Å; V75-T88 WeakPolarHBondContact O-CA 3.36Å; V75-T88 WeakPolarHBondContact O-CG2 3.38Å; N76-T88 PolarHBondContact OD1-OG1 3.43Å; T88-R91 HydrophobicContact CG2-CG 4.05Å; T88-R91 PolarHBondContact OG1-NH2 3.08Å |
| 89 | V | 93.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -45 | 179.7 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | L67 V75 A77 L107 I119 L121 | L67-V89 HydrophobicContact CD2-CG2 3.86Å; V75-V89 HydrophobicContact CB-CB 4.21Å; V75-V89 HydrophobicContact CG1-CB 3.95Å; V75-V89 HydrophobicContact CG1-CG2 4.34Å; V75-V89 PolarHBondContact O-N 3.1Å; A77-V89 HydrophobicContact CB-CG2 4.02Å; V89-L107 HydrophobicContact CG1-CD2 4.23Å; V89-I119 HydrophobicContact CG1-CG2 4.2Å; V89-L121 HydrophobicContact CG1-CD2 3.97Å |
| 90 | T | 93.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 169.4 | 176.8 | -160.6 | 0 | 0 | 0 | 0 | 112.5 | V75 F92 R117 I119 | V75-T90 HydrophobicContact CB-CG2 4.01Å; V75-T90 HydrophobicContact CG2-CG2 3.66Å; V75-T90 PolarHBondContact N-O 3.34Å; T90-F92 HydrophobicContact CG2-CD2 4.08Å; T90-F92 HydrophobicContact CG2-CE2 3.57Å; T90-R117 PolarHBondContact OG1-NH1 3.06Å; T90-I119 HydrophobicContact CG2-CD1 3.54Å |
| 91 | R | 93.4 | Very high | 90.4 | Very high | 145 Ų | 145 | 48.6 Ų | 48.6 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 127.9 | 179.5 | -60.8 | 179.5 | -175.8 | -88.6 | -7.1 | 110.8 | G73 T88 R117 | G73-R91 CarbonylContact O-C 3.55Å; G73-R91 WeakPolarHBondContact O-CA 3.45Å; T88-R91 HydrophobicContact CG2-CG 4.05Å; T88-R91 PolarHBondContact OG1-NH2 3.08Å; R91-R117 PolarHBondContact O-NH1 3.23Å |
| 92 | F | 93 | Very high | 91 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | trans | -106 | 170.7 | 173.1 | -71.6 | -93.8 | 0 | 0 | 0 | 110.2 | G73 T90 I96 V109 E115 R117 | G73-F92 PolarHBondContact O-N 3.44Å; T90-F92 HydrophobicContact CG2-CD2 4.08Å; T90-F92 HydrophobicContact CG2-CE2 3.57Å; F92-I96 HydrophobicContact CD2-CD1 4.13Å; F92-I96 HydrophobicContact CD2-CG1 3.92Å; F92-I96 HydrophobicContact CE2-CG1 4.45Å; F92-I96 HydrophobicContact CG-CG1 4.48Å; F92-V109 HydrophobicContact CD2-CG1 4.16Å; F92-V109 HydrophobicContact CE2-CB 3.81Å; F92-V109 HydrophobicContact CE2-CG1 3.31Å; F92-V109 HydrophobicContact CZ-CB 3.85Å; F92-V109 HydrophobicContact CZ-CG1 3.69Å; F92-E115 HydrophobicContact CD1-CB 4.08Å; F92-E115 HydrophobicContact CE1-CB 3.79Å; F92-R117 HydrophobicContact CE1-CB 4.45Å; F92-R117 HydrophobicContact CE1-CG 3.75Å; F92-R117 HydrophobicContact CZ-CB 3.86Å; F92-R117 VanDerWaalsContact CZ-CD 3.48Å; F92-R117 HydrophobicContact CZ-CG 3.62Å | ||
| 93 | S | 90.8 | Very high | 91.3 | Very high | 92 Ų | 92 | 51.4 Ų | 51.4 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -90.1 | -15.4 | 179.8 | 65 | 0 | 0 | 0 | 0 | 114 | D113 | S93-D113 PolarHBondContact N-OD2 3.3Å; S93-D113 WeakPolarHBondContact OG-CB 3.37Å; S93-D113 PolarHBondContact OG-OD2 3.47Å |
| 94 | L | 91.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 45% | 0.445 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -138.4 | 171.9 | -179.2 | -71.8 | -177.3 | 0 | 0 | 0 | 111.1 | G73 I96 S111 D113 | G73-L94 VanDerWaalsContact CA-O 3.28Å; G73-L94 WeakPolarHBondContact CA-O 3.5Å; L94-I96 PolarHBondContact O-N 2.91Å; L94-S111 PolarHBondContact O-OG 3.22Å; L94-D113 HydrophobicContact CB-CB 3.99Å; L94-D113 HydrophobicContact CD1-CB 4Å; L94-D113 HydrophobicContact CG-CB 4.08Å |
| 95 | P | 90.2 | Very high | 91.9 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | trans | -58.1 | 134 | -177.3 | -24.5 | 32.3 | 0 | 0 | 0 | 113.7 | E71 S112 | E71-P95 HydrophobicContact CG-CB 4.22Å; E71-P95 HydrophobicContact CG-CG 3.88Å; E71-P95 WeakPolarHBondContact O-CA 3.37Å; E71-P95 WeakPolarHBondContact O-CB 3.11Å; E71-P95 VanDerWaalsContact O-CG 3.26Å; E71-P95 WeakPolarHBondContact O-CG 3.36Å; P95-S112 WeakPolarHBondContact O-CB 3.45Å; P95-S112 PolarHBondContact O-N 3.08Å; P95-S112 PolarHBondContact O-OG 3.39Å | ||
| 96 | I | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 130.7 | 171 | -68.6 | 154.6 | 0 | 0 | 0 | 108.8 | T57 A69 G73 I74 V75 F92 L94 M99 V109 A110 | T57-I96 VanDerWaalsContact CB-O 3.24Å; T57-I96 WeakPolarHBondContact CB-O 3.29Å; T57-I96 PolarHBondContact OG1-O 3.22Å; A69-I96 HydrophobicContact CB-CB 4.03Å; A69-I96 HydrophobicContact CB-CD1 4.11Å; A69-I96 HydrophobicContact CB-CG2 3.64Å; G73-I96 VanDerWaalsContact C-CD1 3.45Å; I74-I96 WeakPolarHBondContact O-CD1 3.19Å; V75-I96 HydrophobicContact CG2-CD1 3.48Å; V75-I96 VanDerWaalsContact CG2-CD1 3.48Å; F92-I96 HydrophobicContact CD2-CD1 4.13Å; F92-I96 HydrophobicContact CD2-CG1 3.92Å; F92-I96 HydrophobicContact CE2-CG1 4.45Å; F92-I96 HydrophobicContact CG-CG1 4.48Å; L94-I96 PolarHBondContact O-N 2.91Å; I96-M99 HydrophobicContact CG2-CG 3.75Å; I96-M99 HydrophobicContact CG2-SD 3.91Å; I96-V109 HydrophobicContact CD1-CG1 4.26Å; I96-V109 HydrophobicContact CG1-CG1 3.96Å; I96-V109 HydrophobicContact CG2-CG1 3.77Å; I96-A110 WeakPolarHBondContact CA-O 3.37Å; I96-A110 WeakPolarHBondContact CG2-O 3.43Å |
| 97 | T | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -32.5 | -172.2 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | A110 S112 V136 F180 R188 | T97-A110 PolarHBondContact N-O 3.05Å; T97-A110 PolarHBondContact OG1-O 3.38Å; T97-S112 WeakPolarHBondContact CG2-OG 3.33Å; T97-V136 VanDerWaalsContact CB-O 3.24Å; T97-V136 WeakPolarHBondContact CB-O 3.09Å; T97-V136 WeakPolarHBondContact CG2-O 3.5Å; T97-V136 PolarHBondContact OG1-O 3.01Å; T97-F180 HydrophobicContact CG2-CB 3.95Å; T97-F180 HydrophobicContact CG2-CD1 3.9Å; T97-F180 HydrophobicContact CG2-CD2 3.61Å; T97-F180 HydrophobicContact CG2-CE1 4.24Å; T97-F180 HydrophobicContact CG2-CE2 3.99Å; T97-F180 HydrophobicContact CG2-CG 3.55Å; T97-F180 HydrophobicContact CG2-CZ 4.28Å; T97-F180 WeakPolarHBondContact O-CZ 3.31Å; T97-R188 PolarHBondContact O-NH2 3.44Å |
| 98 | H | 93.6 | Very high | 92.6 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 152.9 | 175.8 | -161.6 | -122.2 | 0 | 0 | 0 | 111.9 | V100 A110 S138 V139 R188 | H98-V100 VanDerWaalsContact CE1-CG2 3.48Å; H98-V100 WeakPolarHBondContact CE1-CG2 3.45Å; H98-A110 PolarHBondContact O-N 3.24Å; H98-S138 PolarHBondContact ND1-OG 3.12Å; H98-V139 HydrophobicContact CB-CG2 4.26Å; H98-V139 PolarHBondContact CE1-O 3.14Å; H98-V139 PolarHBondContact ND1-N 3.04Å; H98-V139 PolarHBondContact ND1-O 3.05Å; H98-R188 PolarHBondContact CD2-NE 2.79Å; H98-R188 PolarHBondContact CD2-NH2 3.35Å; H98-R188 WeakPolarHBondContact NE2-CD 3.43Å |
| 99 | M | 95.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 143.3 | 174.8 | -73.2 | -176.6 | 17.3 | 0 | 0 | 110.9 | A58 L67 A69 V75 I96 L107 L108 V109 | A58-M99 HydrophobicContact CB-CB 4.21Å; A58-M99 HydrophobicContact CB-CG 4.47Å; L67-M99 HydrophobicContact CB-CE 4.02Å; A69-M99 HydrophobicContact CB-CE 4.44Å; A69-M99 HydrophobicContact CB-CG 4.45Å; A69-M99 HydrophobicContact CB-SD 3.55Å; A69-M99 VanDerWaalsContact CB-SD 3.55Å; V75-M99 HydrophobicContact CB-SD 4.39Å; V75-M99 HydrophobicContact CG1-CE 3.71Å; V75-M99 HydrophobicContact CG1-SD 4.08Å; V75-M99 HydrophobicContact CG2-CE 4.19Å; V75-M99 HydrophobicContact CG2-SD 3.41Å; V75-M99 WeakPolarHBondContact CG2-SD 3.32Å; I96-M99 HydrophobicContact CG2-CG 3.75Å; I96-M99 HydrophobicContact CG2-SD 3.91Å; M99-L107 HydrophobicContact CE-CD1 3.97Å; M99-L107 HydrophobicContact CE-CD2 3.93Å; M99-L107 HydrophobicContact CE-CG 4.38Å; M99-L108 WeakPolarHBondContact CA-O 3.33Å; M99-V109 HydrophobicContact CG-CB 4.05Å; M99-V109 HydrophobicContact CG-CG1 3.67Å; M99-V109 HydrophobicContact CG-CG2 3.89Å; M99-V109 HydrophobicContact SD-CB 4.4Å; M99-V109 HydrophobicContact SD-CG1 3.82Å; M99-V109 HydrophobicContact SD-CG2 3.87Å |
| 100 | V | 95.2 | Very high | 92.8 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 132.9 | 171.5 | 175.7 | 0 | 0 | 0 | 0 | 108.9 | H98 L108 V139 V141 | H98-V100 VanDerWaalsContact CE1-CG2 3.48Å; H98-V100 WeakPolarHBondContact CE1-CG2 3.45Å; V100-L108 PolarHBondContact N-O 3.07Å; V100-L108 PolarHBondContact O-N 3.32Å; V100-V139 HydrophobicContact CG2-CG2 4.38Å; V100-V139 VanDerWaalsContact CG2-O 3.23Å; V100-V139 WeakPolarHBondContact CG2-O 3.28Å; V100-V141 HydrophobicContact CG1-CG2 4.49Å |
| 101 | V | 94.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.4 | 171.9 | 72.9 | 0 | 0 | 0 | 0 | 110.4 | A60 V61 Y62 L67 L107 L121 | A60-V101 HydrophobicContact CB-CB 4.27Å; A60-V101 HydrophobicContact CB-CG1 4.07Å; V61-V101 VanDerWaalsContact O-CG1 3.27Å; V61-V101 WeakPolarHBondContact O-CG1 3.49Å; Y62-V101 HydrophobicContact CD2-CG2 4.23Å; Y62-V101 HydrophobicContact CG-CG2 4.25Å; L67-V101 HydrophobicContact CD1-CB 4.48Å; L67-V101 HydrophobicContact CD1-CG2 4.31Å; V101-L107 HydrophobicContact CB-CD1 3.91Å; V101-L107 HydrophobicContact CG2-CD1 4.28Å; V101-L121 HydrophobicContact CG2-CD1 3.83Å |
| 102 | S | 92.7 | Very high | 92.7 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | trans | -95.8 | 161.5 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | N104 G105 H106 | S102-N104 PolarHBondContact O-N 3.31Å; S102-N104 VanDerWaalsContact O-N 3.14Å; S102-G105 PolarHBondContact O-N 2.88Å; S102-G105 VanDerWaalsContact O-N 3.09Å; S102-H106 WeakPolarHBondContact CB-O 3.39Å; S102-H106 PolarHBondContact N-O 3.34Å; S102-H106 WeakPolarHBondContact OG-CB 3.43Å; S102-H106 PolarHBondContact OG-N 3.01Å; S102-H106 VanDerWaalsContact OG-N 3.13Å; S102-H106 PolarHBondContact OG-O 2.94Å | ||
| 103 | K | 85.9 | Confident | 92.5 | Very high | 149 Ų | 149 | 31.1 Ų | 31.1 | 65% | 0.648 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.6 | 176.6 | -62.9 | -169.4 | 177.2 | -170.8 | 0 | 113.4 | G105 | K103-G105 VanDerWaalsContact C-N 3.32Å; K103-G105 PolarHBondContact O-N 3.24Å |
| 104 | N | 86.4 | Confident | 92.6 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 47% | 0.465 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 16 | 178.7 | -64.1 | -15.7 | 0 | 0 | 0 | 113.4 | S102 H106 T145 | S102-N104 PolarHBondContact O-N 3.31Å; S102-N104 VanDerWaalsContact O-N 3.14Å; N104-H106 VanDerWaalsContact C-N 3.31Å; N104-H106 PolarHBondContact O-N 3.16Å; N104-H106 PolarHBondContact O-ND1 2.97Å; N104-T145 HydrophobicContact CB-CG2 4.23Å; N104-T145 PolarHBondContact ND2-OG1 3.27Å |
| 105 | G | 90.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 68.6 | 28.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y62 S102 K103 L121 | Y62-G105 VanDerWaalsContact CE2-N 3.34Å; S102-G105 PolarHBondContact O-N 2.88Å; S102-G105 VanDerWaalsContact O-N 3.09Å; K103-G105 VanDerWaalsContact C-N 3.32Å; K103-G105 PolarHBondContact O-N 3.24Å; G105-L121 WeakPolarHBondContact O-CB 3.17Å; G105-L121 VanDerWaalsContact O-CG 3.24Å; G105-L121 WeakPolarHBondContact O-CG 3.28Å; G105-L121 PolarHBondContact O-N 3Å |
| 106 | H | 93.7 | Very high | 93 | Very high | 55 Ų | 55 | 26.9 Ų | 26.9 | 26% | 0.255 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.8 | 172.1 | -69.6 | 42.9 | 0 | 0 | 0 | 110.2 | S102 N104 W118 I119 | S102-H106 WeakPolarHBondContact CB-O 3.39Å; S102-H106 PolarHBondContact N-O 3.34Å; S102-H106 WeakPolarHBondContact OG-CB 3.43Å; S102-H106 PolarHBondContact OG-N 3.01Å; S102-H106 VanDerWaalsContact OG-N 3.13Å; S102-H106 PolarHBondContact OG-O 2.94Å; N104-H106 VanDerWaalsContact C-N 3.31Å; N104-H106 PolarHBondContact O-N 3.16Å; N104-H106 PolarHBondContact O-ND1 2.97Å; H106-W118 HydrophobicContact CB-CD2 4.27Å; H106-W118 HydrophobicContact CB-CE3 4.21Å; H106-W118 HydrophobicContact CB-CH2 3.28Å; H106-W118 HydrophobicContact CB-CZ2 3.3Å; H106-W118 HydrophobicContact CB-CZ3 3.73Å; H106-W118 AromaticContact CD2-CE2 3.82Å; H106-W118 AromaticContact CD2-CZ2 3.85Å; H106-W118 AromaticContact CD2-NE1 3.78Å; H106-W118 AromaticContact CG-CZ2 3.89Å; H106-I119 CarbonylContact C-O 3.53Å; H106-I119 VanDerWaalsContact CA-O 3.23Å; H106-I119 WeakPolarHBondContact CA-O 3.31Å |
| 107 | L | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.5 | -172.1 | -176 | 67.7 | 0 | 0 | 0 | 110.6 | L67 V75 V89 M99 V101 V109 I119 L121 | L67-L107 HydrophobicContact CD1-CD1 3.69Å; L67-L107 HydrophobicContact CD1-CD2 4.08Å; L67-L107 HydrophobicContact CD1-CG 4.36Å; V75-L107 HydrophobicContact CG1-CD2 4.1Å; V89-L107 HydrophobicContact CG1-CD2 4.23Å; M99-L107 HydrophobicContact CE-CD1 3.97Å; M99-L107 HydrophobicContact CE-CD2 3.93Å; M99-L107 HydrophobicContact CE-CG 4.38Å; V101-L107 HydrophobicContact CB-CD1 3.91Å; V101-L107 HydrophobicContact CG2-CD1 4.28Å; L107-V109 HydrophobicContact CD2-CG2 3.66Å; L107-V109 HydrophobicContact CG-CG2 3.73Å; L107-I119 HydrophobicContact CB-CB 4.34Å; L107-I119 HydrophobicContact CD2-CD1 4.48Å; L107-I119 PolarHBondContact N-O 2.83Å; L107-I119 PolarHBondContact O-N 3.17Å; L107-L121 HydrophobicContact CB-CD2 3.97Å; L107-L121 HydrophobicContact CB-CG 4.27Å; L107-L121 HydrophobicContact CD2-CD2 4.19Å |
| 108 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.9 | 172.2 | -169 | 62.6 | 0 | 0 | 0 | 109.3 | M99 V100 V116 R117 W118 L129 V139 V141 A148 | M99-L108 WeakPolarHBondContact CA-O 3.33Å; V100-L108 PolarHBondContact N-O 3.07Å; V100-L108 PolarHBondContact O-N 3.32Å; L108-V116 HydrophobicContact CD1-CG1 3.55Å; L108-V116 HydrophobicContact CG-CG1 4.07Å; L108-R117 WeakPolarHBondContact CA-O 3.39Å; L108-W118 HydrophobicContact CB-CE3 3.76Å; L108-W118 HydrophobicContact CB-CZ3 3.93Å; L108-W118 HydrophobicContact CD1-CB 4.16Å; L108-W118 HydrophobicContact CD1-CE3 4Å; L108-W118 HydrophobicContact CG-CE3 4.44Å; L108-L129 HydrophobicContact CD1-CD1 3.93Å; L108-V139 HydrophobicContact CD2-CB 3.72Å; L108-V139 HydrophobicContact CD2-CG1 4.23Å; L108-V139 HydrophobicContact CD2-CG2 4.31Å; L108-V139 HydrophobicContact CG-CB 3.99Å; L108-V139 HydrophobicContact CG-CG1 4.28Å; L108-V139 HydrophobicContact CG-CG2 4.17Å; L108-V141 HydrophobicContact CB-CG2 3.77Å; L108-V141 HydrophobicContact CD2-CG2 3.59Å; L108-V141 HydrophobicContact CG-CG2 4.33Å; L108-A148 HydrophobicContact CD2-CB 3.63Å |
| 109 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.9 | -177.7 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | V75 F92 I96 M99 L107 V116 R117 I119 | V75-V109 HydrophobicContact CG2-CG1 4.22Å; V75-V109 HydrophobicContact CG2-CG2 4.26Å; F92-V109 HydrophobicContact CD2-CG1 4.16Å; F92-V109 HydrophobicContact CE2-CB 3.81Å; F92-V109 HydrophobicContact CE2-CG1 3.31Å; F92-V109 HydrophobicContact CZ-CB 3.85Å; F92-V109 HydrophobicContact CZ-CG1 3.69Å; I96-V109 HydrophobicContact CD1-CG1 4.26Å; I96-V109 HydrophobicContact CG1-CG1 3.96Å; I96-V109 HydrophobicContact CG2-CG1 3.77Å; M99-V109 HydrophobicContact CG-CB 4.05Å; M99-V109 HydrophobicContact CG-CG1 3.67Å; M99-V109 HydrophobicContact CG-CG2 3.89Å; M99-V109 HydrophobicContact SD-CB 4.4Å; M99-V109 HydrophobicContact SD-CG1 3.82Å; M99-V109 HydrophobicContact SD-CG2 3.87Å; L107-V109 HydrophobicContact CD2-CG2 3.66Å; L107-V109 HydrophobicContact CG-CG2 3.73Å; V109-V116 CarbonylContact O-C 3.52Å; V109-V116 VanDerWaalsContact O-CA 3.28Å; V109-V116 WeakPolarHBondContact O-CA 3.34Å; V109-V116 WeakPolarHBondContact O-CG1 3.27Å; V109-R117 PolarHBondContact N-O 3.38Å; V109-R117 PolarHBondContact O-N 3.22Å; V109-I119 HydrophobicContact CG2-CD1 3.73Å |
| 110 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I96 T97 H98 V116 V136 V139 | I96-A110 WeakPolarHBondContact CA-O 3.37Å; I96-A110 WeakPolarHBondContact CG2-O 3.43Å; T97-A110 PolarHBondContact N-O 3.05Å; T97-A110 PolarHBondContact OG1-O 3.38Å; H98-A110 PolarHBondContact O-N 3.24Å; A110-V116 HydrophobicContact CB-CG2 4.24Å; A110-V136 HydrophobicContact CB-CB 3.83Å; A110-V136 HydrophobicContact CB-CG1 3.57Å; A110-V139 HydrophobicContact CB-CG1 3.41Å; A110-V139 VanDerWaalsContact CB-CG1 3.41Å; A110-V139 HydrophobicContact CB-CG2 4.36Å |
| 111 | S | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 161 | -174.8 | 166.7 | 0 | 0 | 0 | 0 | 112.1 | L94 D113 F114 E115 | L94-S111 PolarHBondContact O-OG 3.22Å; S111-D113 WeakPolarHBondContact CB-OD1 3.16Å; S111-D113 PolarHBondContact O-N 3.36Å; S111-D113 PolarHBondContact OG-N 2.92Å; S111-D113 PolarHBondContact OG-OD1 2.92Å; S111-F114 PolarHBondContact O-N 2.89Å; S111-E115 PolarHBondContact N-O 2.91Å; S111-E115 VanDerWaalsContact N-O 3.14Å |
| 112 | S | 91.5 | Very high | 92.7 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.4 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | P95 T97 F114 | P95-S112 WeakPolarHBondContact O-CB 3.45Å; P95-S112 PolarHBondContact O-N 3.08Å; P95-S112 PolarHBondContact O-OG 3.39Å; T97-S112 WeakPolarHBondContact CG2-OG 3.33Å; S112-F114 VanDerWaalsContact O-CD1 3.23Å; S112-F114 WeakPolarHBondContact O-CD1 3.41Å; S112-F114 WeakPolarHBondContact O-CE1 3.49Å; S112-F114 PolarHBondContact O-N 3.46Å |
| 113 | D | 89.5 | Confident | 92.3 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 15.4 | 172.9 | 61.3 | 6.2 | 0 | 0 | 0 | 114.4 | S93 L94 S111 E115 | S93-D113 PolarHBondContact N-OD2 3.3Å; S93-D113 WeakPolarHBondContact OG-CB 3.37Å; S93-D113 PolarHBondContact OG-OD2 3.47Å; L94-D113 HydrophobicContact CB-CB 3.99Å; L94-D113 HydrophobicContact CD1-CB 4Å; L94-D113 HydrophobicContact CG-CB 4.08Å; S111-D113 WeakPolarHBondContact CB-OD1 3.16Å; S111-D113 PolarHBondContact O-N 3.36Å; S111-D113 PolarHBondContact OG-N 2.92Å; S111-D113 PolarHBondContact OG-OD1 2.92Å; D113-E115 PolarHBondContact O-N 3.3Å; D113-E115 WeakPolarHBondContact OD1-CB 3.42Å; D113-E115 PolarHBondContact OD1-N 3.01Å |
| 114 | F | 93 | Very high | 92.1 | Very high | 93 Ų | 93 | 36 Ų | 36 | 41% | 0.408 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 67.7 | 9 | 177.7 | -38.2 | -16.9 | 0 | 0 | 0 | 112.8 | S111 S112 H132 A134 P135 | S111-F114 PolarHBondContact O-N 2.89Å; S112-F114 VanDerWaalsContact O-CD1 3.23Å; S112-F114 WeakPolarHBondContact O-CD1 3.41Å; S112-F114 WeakPolarHBondContact O-CE1 3.49Å; S112-F114 PolarHBondContact O-N 3.46Å; F114-H132 HydrophobicContact CB-CB 4.43Å; F114-A134 WeakPolarHBondContact CD1-O 3.45Å; F114-P135 HydrophobicContact CD1-CG 4.27Å; F114-P135 VanDerWaalsContact CD1-N 3.29Å; F114-P135 VanDerWaalsContact CE1-CD 3.46Å; F114-P135 HydrophobicContact CE1-CG 3.86Å |
| 115 | E | 93.5 | Very high | 92.3 | Very high | 29 Ų | 29 | 36 Ų | 36 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | trans | -88.7 | 142.6 | 172.4 | -57.9 | -164.8 | -178.8 | 0 | 0 | 111.7 | F92 S111 D113 R117 R128 | F92-E115 HydrophobicContact CD1-CB 4.08Å; F92-E115 HydrophobicContact CE1-CB 3.79Å; S111-E115 PolarHBondContact N-O 2.91Å; S111-E115 VanDerWaalsContact N-O 3.14Å; D113-E115 PolarHBondContact O-N 3.3Å; D113-E115 WeakPolarHBondContact OD1-CB 3.42Å; D113-E115 PolarHBondContact OD1-N 3.01Å; E115-R117 IonicContact OE2-CZ 3.48Å; E115-R117 VanDerWaalsContact OE2-CZ 3.26Å; E115-R117 IonicContact OE2-NE 3.56Å; E115-R117 PolarHBondContact OE2-NE 3.2Å; E115-R117 IonicContact OE2-NH2 3.46Å; E115-R117 PolarHBondContact OE2-NH2 2.83Å; E115-R128 IonicContact OE1-CZ 2.72Å; E115-R128 IonicContact OE1-NH1 2.72Å; E115-R128 PolarHBondContact OE1-NH1 3.03Å; E115-R128 IonicContact OE1-NH2 3.75Å; E115-R128 IonicContact OE2-NH1 3.9Å | ||
| 116 | V | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.5 | 161.4 | -173 | 0 | 0 | 0 | 0 | 108.1 | L108 V109 A110 R128 L129 V136 V139 T150 | L108-V116 HydrophobicContact CD1-CG1 3.55Å; L108-V116 HydrophobicContact CG-CG1 4.07Å; V109-V116 CarbonylContact O-C 3.52Å; V109-V116 VanDerWaalsContact O-CA 3.28Å; V109-V116 WeakPolarHBondContact O-CA 3.34Å; V109-V116 WeakPolarHBondContact O-CG1 3.27Å; A110-V116 HydrophobicContact CB-CG2 4.24Å; V116-R128 WeakPolarHBondContact O-CA 3.4Å; V116-L129 HydrophobicContact CB-CB 4.22Å; V116-L129 HydrophobicContact CB-CD1 4.33Å; V116-L129 HydrophobicContact CB-CG 4.47Å; V116-L129 HydrophobicContact CG1-CD1 3.9Å; V116-L129 HydrophobicContact CG1-CG 4.41Å; V116-L129 PolarHBondContact O-N 3.45Å; V116-V136 HydrophobicContact CG2-CB 4.03Å; V116-V136 HydrophobicContact CG2-CG1 3.86Å; V116-V136 HydrophobicContact CG2-CG2 3.65Å; V116-V139 HydrophobicContact CG1-CG1 4.03Å; V116-T150 HydrophobicContact CG1-CG2 4.22Å; V116-T150 HydrophobicContact CG2-CG2 4.2Å |
| 117 | R | 95.2 | Very high | 92.3 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 11% | 0.109 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.4 | 178.8 | -61.5 | 178.8 | -169.9 | 166.5 | 4.3 | 110.9 | T90 R91 F92 L108 V109 E115 I119 F126 Q127 | T90-R117 PolarHBondContact OG1-NH1 3.06Å; R91-R117 PolarHBondContact O-NH1 3.23Å; F92-R117 HydrophobicContact CE1-CB 4.45Å; F92-R117 HydrophobicContact CE1-CG 3.75Å; F92-R117 HydrophobicContact CZ-CB 3.86Å; F92-R117 VanDerWaalsContact CZ-CD 3.48Å; F92-R117 HydrophobicContact CZ-CG 3.62Å; L108-R117 WeakPolarHBondContact CA-O 3.39Å; V109-R117 PolarHBondContact N-O 3.38Å; V109-R117 PolarHBondContact O-N 3.22Å; E115-R117 IonicContact OE2-CZ 3.48Å; E115-R117 VanDerWaalsContact OE2-CZ 3.26Å; E115-R117 IonicContact OE2-NE 3.56Å; E115-R117 PolarHBondContact OE2-NE 3.2Å; E115-R117 IonicContact OE2-NH2 3.46Å; E115-R117 PolarHBondContact OE2-NH2 2.83Å; R117-I119 HydrophobicContact CB-CD1 4.22Å; R117-I119 HydrophobicContact CB-CG1 3.99Å; R117-F126 HydrophobicContact CB-CB 4.42Å; R117-F126 HydrophobicContact CB-CD2 4.05Å; R117-F126 HydrophobicContact CB-CG 4.47Å; R117-F126 HydrophobicContact CG-CD2 3.75Å; R117-F126 HydrophobicContact CG-CE2 4.02Å; R117-Q127 CarbonylContact C-O 3.55Å; R117-Q127 WeakPolarHBondContact CA-O 3.39Å |
| 118 | W | 95.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.8 | 171.3 | 179.6 | -126.8 | 0 | 0 | 0 | 108.2 | H106 L108 F126 Q127 V141 T145 L162 | H106-W118 HydrophobicContact CB-CD2 4.27Å; H106-W118 HydrophobicContact CB-CE3 4.21Å; H106-W118 HydrophobicContact CB-CH2 3.28Å; H106-W118 HydrophobicContact CB-CZ2 3.3Å; H106-W118 HydrophobicContact CB-CZ3 3.73Å; H106-W118 AromaticContact CD2-CE2 3.82Å; H106-W118 AromaticContact CD2-CZ2 3.85Å; H106-W118 AromaticContact CD2-NE1 3.78Å; H106-W118 AromaticContact CG-CZ2 3.89Å; L108-W118 HydrophobicContact CB-CE3 3.76Å; L108-W118 HydrophobicContact CB-CZ3 3.93Å; L108-W118 HydrophobicContact CD1-CB 4.16Å; L108-W118 HydrophobicContact CD1-CE3 4Å; L108-W118 HydrophobicContact CG-CE3 4.44Å; W118-F126 CarbonylContact O-C 3.55Å; W118-F126 WeakPolarHBondContact O-CA 3.49Å; W118-F126 WeakPolarHBondContact O-CB 3.12Å; W118-Q127 PolarHBondContact N-O 2.98Å; W118-Q127 PolarHBondContact O-N 3.39Å; W118-V141 HydrophobicContact CH2-CG1 3.98Å; W118-V141 HydrophobicContact CH2-CG2 4.28Å; W118-V141 HydrophobicContact CZ3-CG1 4.38Å; W118-V141 HydrophobicContact CZ3-CG2 3.85Å; W118-T145 HydrophobicContact CH2-CG2 4.33Å; W118-T145 HydrophobicContact CZ2-CG2 4.5Å; W118-L162 HydrophobicContact CD2-CD2 4Å; W118-L162 HydrophobicContact CG-CD2 3.94Å; W118-L162 HydrophobicContact CH2-CD1 4.18Å; W118-L162 HydrophobicContact CZ2-CD1 3.79Å |
| 119 | I | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.5 | -161.9 | -45.5 | 175.6 | 0 | 0 | 0 | 109.8 | V89 T90 H106 L107 V109 R117 T125 F126 | V89-I119 HydrophobicContact CG1-CG2 4.2Å; T90-I119 HydrophobicContact CG2-CD1 3.54Å; H106-I119 CarbonylContact C-O 3.53Å; H106-I119 VanDerWaalsContact CA-O 3.23Å; H106-I119 WeakPolarHBondContact CA-O 3.31Å; L107-I119 HydrophobicContact CB-CB 4.34Å; L107-I119 HydrophobicContact CD2-CD1 4.48Å; L107-I119 PolarHBondContact N-O 2.83Å; L107-I119 PolarHBondContact O-N 3.17Å; V109-I119 HydrophobicContact CG2-CD1 3.73Å; R117-I119 HydrophobicContact CB-CD1 4.22Å; R117-I119 HydrophobicContact CB-CG1 3.99Å; I119-T125 CarbonylContact C-O 3.59Å; I119-T125 WeakPolarHBondContact CA-O 3.45Å; I119-T125 WeakPolarHBondContact CG2-O 3.2Å; I119-F126 HydrophobicContact CB-CB 4.25Å; I119-F126 HydrophobicContact CG1-CB 3.8Å; I119-F126 HydrophobicContact CG2-CB 4.3Å |
| 120 | S | 93 | Very high | 91.8 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.1 | 167.6 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | Q122 D123 K124 T125 | S120-Q122 PolarHBondContact O-N 2.7Å; S120-Q122 PolarHBondContact OG-N 3.17Å; S120-D123 WeakPolarHBondContact CB-OD2 3.46Å; S120-D123 PolarHBondContact OG-N 3.49Å; S120-D123 PolarHBondContact OG-OD2 3.31Å; S120-K124 VanDerWaalsContact O-CA 3.25Å; S120-K124 WeakPolarHBondContact O-CA 3.23Å; S120-K124 PolarHBondContact O-N 3.31Å; S120-T125 PolarHBondContact N-O 3.36Å |
| 121 | L | 90.7 | Very high | 91.4 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.9 | 175.3 | -63.1 | 173.1 | 0 | 0 | 0 | 112.4 | Y62 L67 V89 V101 G105 L107 | Y62-L121 HydrophobicContact CD1-CD1 3.88Å; Y62-L121 HydrophobicContact CG-CD1 4.04Å; L67-L121 HydrophobicContact CD1-CD1 3.88Å; L67-L121 HydrophobicContact CD1-CD2 4.06Å; L67-L121 HydrophobicContact CD2-CD2 4.16Å; V89-L121 HydrophobicContact CG1-CD2 3.97Å; V101-L121 HydrophobicContact CG2-CD1 3.83Å; G105-L121 WeakPolarHBondContact O-CB 3.17Å; G105-L121 VanDerWaalsContact O-CG 3.24Å; G105-L121 WeakPolarHBondContact O-CG 3.28Å; G105-L121 PolarHBondContact O-N 3Å; L107-L121 HydrophobicContact CB-CD2 3.97Å; L107-L121 HydrophobicContact CB-CG 4.27Å; L107-L121 HydrophobicContact CD2-CD2 4.19Å |
| 122 | Q | 88.4 | Confident | 91.4 | Very high | 144 Ų | 144 | 54.8 Ų | 54.8 | 67% | 0.673 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -51.2 | 178 | -62.1 | -178.1 | 3.3 | 0 | 0 | 110.8 | S120 | S120-Q122 PolarHBondContact O-N 2.7Å; S120-Q122 PolarHBondContact OG-N 3.17Å |
| 123 | D | 85.1 | Confident | 91.3 | Very high | 108 Ų | 108 | 56.6 Ų | 56.6 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -12 | -172.9 | -45.6 | -69.1 | 0 | 0 | 0 | 113.5 | S120 T125 | S120-D123 WeakPolarHBondContact CB-OD2 3.46Å; S120-D123 PolarHBondContact OG-N 3.49Å; S120-D123 PolarHBondContact OG-OD2 3.31Å; D123-T125 HydrophobicContact CB-CG2 3.92Å; D123-T125 PolarHBondContact O-N 3.38Å; D123-T125 VanDerWaalsContact O-N 3.07Å |
| 124 | K | 82.4 | Confident | 91.4 | Very high | 113 Ų | 113 | 55.9 Ų | 55.9 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | trans | 55.6 | 17.6 | -170.4 | -52.9 | -170.1 | -179.6 | -167.1 | 0 | 113.9 | S87 S120 | S87-K124 PolarHBondContact OG-NZ 3.48Å; S120-K124 VanDerWaalsContact O-CA 3.25Å; S120-K124 WeakPolarHBondContact O-CA 3.23Å; S120-K124 PolarHBondContact O-N 3.31Å | ||
| 125 | T | 90.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | trans | -82.3 | 155.5 | 172.6 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | I119 S120 D123 | I119-T125 CarbonylContact C-O 3.59Å; I119-T125 WeakPolarHBondContact CA-O 3.45Å; I119-T125 WeakPolarHBondContact CG2-O 3.2Å; S120-T125 PolarHBondContact N-O 3.36Å; D123-T125 HydrophobicContact CB-CG2 3.92Å; D123-T125 PolarHBondContact O-N 3.38Å; D123-T125 VanDerWaalsContact O-N 3.07Å | ||
| 126 | F | 92.1 | Very high | 91.2 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 46% | 0.456 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153.6 | 175.6 | 74.1 | -91 | 0 | 0 | 0 | 113.7 | R117 W118 I119 | R117-F126 HydrophobicContact CB-CB 4.42Å; R117-F126 HydrophobicContact CB-CD2 4.05Å; R117-F126 HydrophobicContact CB-CG 4.47Å; R117-F126 HydrophobicContact CG-CD2 3.75Å; R117-F126 HydrophobicContact CG-CE2 4.02Å; W118-F126 CarbonylContact O-C 3.55Å; W118-F126 WeakPolarHBondContact O-CA 3.49Å; W118-F126 WeakPolarHBondContact O-CB 3.12Å; I119-F126 HydrophobicContact CB-CB 4.25Å; I119-F126 HydrophobicContact CG1-CB 3.8Å; I119-F126 HydrophobicContact CG2-CB 4.3Å |
| 127 | Q | 92.1 | Very high | 91 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 150.4 | 166.4 | -68.3 | 172.5 | -27.9 | 0 | 0 | 109.3 | R117 W118 V165 | R117-Q127 CarbonylContact C-O 3.55Å; R117-Q127 WeakPolarHBondContact CA-O 3.39Å; W118-Q127 PolarHBondContact N-O 2.98Å; W118-Q127 PolarHBondContact O-N 3.39Å; Q127-V165 HydrophobicContact CB-CG2 3.89Å; Q127-V165 HydrophobicContact CG-CG2 4.2Å; Q127-V165 VanDerWaalsContact OE1-CG2 3.31Å |
| 128 | R | 93.1 | Very high | 91 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.9 | -178.9 | 179.1 | 177.1 | 163.4 | 145.7 | 6.3 | 109.7 | E115 V116 D130 V165 | E115-R128 IonicContact OE1-CZ 2.72Å; E115-R128 IonicContact OE1-NH1 2.72Å; E115-R128 PolarHBondContact OE1-NH1 3.03Å; E115-R128 IonicContact OE1-NH2 3.75Å; E115-R128 IonicContact OE2-NH1 3.9Å; V116-R128 WeakPolarHBondContact O-CA 3.4Å; R128-D130 VanDerWaalsContact CD-OD2 3.29Å; R128-D130 WeakPolarHBondContact CD-OD2 3.42Å; R128-D130 WeakPolarHBondContact CG-OD2 3.44Å; R128-D130 IonicContact CZ-OD1 2.67Å; R128-D130 VanDerWaalsContact NE-CG 3.27Å; R128-D130 IonicContact NE-OD1 3.65Å; R128-D130 PolarHBondContact NE-OD1 2.75Å; R128-D130 IonicContact NE-OD2 3.18Å; R128-D130 PolarHBondContact NE-OD2 2.84Å; R128-D130 IonicContact NH2-OD1 2.64Å; R128-D130 PolarHBondContact NH2-OD1 3.29Å; R128-D130 PolarHBondContact O-N 3.3Å; R128-V165 WeakPolarHBondContact O-CG1 3.06Å |
| 129 | L | 94.2 | Very high | 91 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | trans | -84.4 | 97 | 175 | -50 | -179.1 | 0 | 0 | 0 | 108.3 | L108 V116 H132 A148 T150 W160 L162 V165 | L108-L129 HydrophobicContact CD1-CD1 3.93Å; V116-L129 HydrophobicContact CB-CB 4.22Å; V116-L129 HydrophobicContact CB-CD1 4.33Å; V116-L129 HydrophobicContact CB-CG 4.47Å; V116-L129 HydrophobicContact CG1-CD1 3.9Å; V116-L129 HydrophobicContact CG1-CG 4.41Å; V116-L129 PolarHBondContact O-N 3.45Å; L129-H132 PolarHBondContact O-CE1 2.97Å; L129-H132 PolarHBondContact O-ND1 3.01Å; L129-A148 HydrophobicContact CD1-CB 4.41Å; L129-T150 HydrophobicContact CD1-CG2 4.19Å; L129-W160 HydrophobicContact CB-CD2 3.91Å; L129-W160 HydrophobicContact CB-CE3 3.98Å; L129-W160 HydrophobicContact CB-CG 4.47Å; L129-W160 HydrophobicContact CB-CH2 4.28Å; L129-W160 HydrophobicContact CB-CZ2 4.2Å; L129-W160 HydrophobicContact CB-CZ3 4.16Å; L129-W160 HydrophobicContact CD1-CB 4.23Å; L129-W160 HydrophobicContact CD1-CD2 4.13Å; L129-W160 HydrophobicContact CD1-CG 3.81Å; L129-W160 HydrophobicContact CD2-CB 4.38Å; L129-W160 HydrophobicContact CD2-CD2 4.37Å; L129-W160 HydrophobicContact CD2-CE3 4.3Å; L129-W160 HydrophobicContact CD2-CG 4.39Å; L129-W160 HydrophobicContact CG-CD2 4.36Å; L129-W160 HydrophobicContact CG-CG 4.46Å; L129-L162 HydrophobicContact CD2-CD2 4.47Å; L129-V165 HydrophobicContact CD2-CB 4.39Å; L129-V165 HydrophobicContact CD2-CG1 3.63Å; L129-V165 HydrophobicContact CD2-CG2 4.49Å | ||
| 130 | D | 90.5 | Very high | 91.1 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | trans | -92.4 | 125.3 | -171.1 | -92.9 | -54.1 | 0 | 0 | 0 | 114.3 | R128 W160 | R128-D130 VanDerWaalsContact CD-OD2 3.29Å; R128-D130 WeakPolarHBondContact CD-OD2 3.42Å; R128-D130 WeakPolarHBondContact CG-OD2 3.44Å; R128-D130 IonicContact CZ-OD1 2.67Å; R128-D130 VanDerWaalsContact NE-CG 3.27Å; R128-D130 IonicContact NE-OD1 3.65Å; R128-D130 PolarHBondContact NE-OD1 2.75Å; R128-D130 IonicContact NE-OD2 3.18Å; R128-D130 PolarHBondContact NE-OD2 2.84Å; R128-D130 IonicContact NH2-OD1 2.64Å; R128-D130 PolarHBondContact NH2-OD1 3.29Å; R128-D130 PolarHBondContact O-N 3.3Å; D130-W160 VanDerWaalsContact O-CH2 3.28Å; D130-W160 WeakPolarHBondContact O-CH2 3.22Å | ||
| 131 | G | 86.5 | Confident | 91.2 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 46% | 0.464 | 27% | 0.267 | S | S | . | . | trans | 152.8 | 4.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | R158 | G131-R158 PolarHBondContact O-NE 3.12Å; G131-R158 PolarHBondContact O-NH2 3.29Å | ||
| 132 | H | 92.2 | Very high | 91.3 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | trans | -79.5 | 131.8 | 179.4 | -50.3 | 81.1 | 0 | 0 | 0 | 111.5 | F114 L129 V136 T150 W160 | F114-H132 HydrophobicContact CB-CB 4.43Å; L129-H132 PolarHBondContact O-CE1 2.97Å; L129-H132 PolarHBondContact O-ND1 3.01Å; H132-V136 HydrophobicContact CB-CG2 3.86Å; H132-V136 VanDerWaalsContact CD2-CG2 3.41Å; H132-V136 WeakPolarHBondContact CD2-CG2 3.1Å; H132-T150 WeakPolarHBondContact NE2-CB 3.17Å; H132-T150 PolarHBondContact NE2-OG1 3.08Å; H132-W160 AromaticContact CE1-CE2 3.99Å; H132-W160 AromaticContact CE1-CZ2 3.39Å; H132-W160 WeakPolarHBondContact CE1-CZ2 3.2Å; H132-W160 AromaticContact NE2-CZ2 3.69Å; H132-W160 AromaticContact NE2-NE1 3.94Å | ||
| 133 | G | 89.9 | Confident | 91.4 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 57% | 0.567 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -97.6 | 4.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D154 | G133-D154 PolarHBondContact N-OD2 3.12Š|
| 134 | A | 91.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -163.8 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F114 V136 C152 D154 | F114-A134 WeakPolarHBondContact CD1-O 3.45Å; A134-V136 PolarHBondContact O-N 2.88Å; A134-C152 PolarHBondContact O-SG 3.36Å; A134-D154 HydrophobicContact CB-CB 3.97Å |
| 135 | P | 90.5 | Very high | 92 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | trans | -53.3 | 133.7 | 179 | -27.6 | 36.7 | 0 | 0 | 0 | 112 | F114 L137 G153 N178 | F114-P135 HydrophobicContact CD1-CG 4.27Å; F114-P135 VanDerWaalsContact CD1-N 3.29Å; F114-P135 VanDerWaalsContact CE1-CD 3.46Å; F114-P135 HydrophobicContact CE1-CG 3.86Å; P135-L137 PolarHBondContact O-N 2.93Å; P135-G153 PolarHBondContact O-N 3.04Å; P135-N178 WeakPolarHBondContact CG-O 3.48Å | ||
| 136 | V | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 122.7 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | T97 A110 V116 H132 A134 V139 A151 | T97-V136 VanDerWaalsContact CB-O 3.24Å; T97-V136 WeakPolarHBondContact CB-O 3.09Å; T97-V136 WeakPolarHBondContact CG2-O 3.5Å; T97-V136 PolarHBondContact OG1-O 3.01Å; A110-V136 HydrophobicContact CB-CB 3.83Å; A110-V136 HydrophobicContact CB-CG1 3.57Å; V116-V136 HydrophobicContact CG2-CB 4.03Å; V116-V136 HydrophobicContact CG2-CG1 3.86Å; V116-V136 HydrophobicContact CG2-CG2 3.65Å; H132-V136 HydrophobicContact CB-CG2 3.86Å; H132-V136 VanDerWaalsContact CD2-CG2 3.41Å; H132-V136 WeakPolarHBondContact CD2-CG2 3.1Å; A134-V136 PolarHBondContact O-N 2.88Å; V136-V139 HydrophobicContact CG1-CG1 4.12Å; V136-A151 CarbonylContact C-O 3.6Å; V136-A151 WeakPolarHBondContact CG1-O 3.32Å |
| 137 | L | 92.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -44.6 | -172.4 | -55 | -173.7 | 0 | 0 | 0 | 111.2 | P135 A151 F180 T183 R188 | P135-L137 PolarHBondContact O-N 2.93Å; L137-A151 PolarHBondContact N-O 3.07Å; L137-F180 HydrophobicContact CD2-CD2 4.37Å; L137-T183 HydrophobicContact CD1-CG2 4.12Å; L137-T183 HydrophobicContact CD2-CG2 3.53Å; L137-T183 HydrophobicContact CG-CG2 4.48Å; L137-R188 PolarHBondContact O-NH1 3.29Å |
| 138 | S | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 154.9 | -177.7 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | H98 A151 A187 R188 | H98-S138 PolarHBondContact ND1-OG 3.12Å; S138-A151 PolarHBondContact N-O 2.86Å; S138-A151 PolarHBondContact O-N 3.36Å; S138-A187 WeakPolarHBondContact CB-O 3.42Å; S138-A187 PolarHBondContact OG-O 3Å; S138-R188 WeakPolarHBondContact OG-CA 3.31Å |
| 139 | V | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.6 | 174.3 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | H98 V100 L108 A110 V116 V136 S149 T150 | H98-V139 HydrophobicContact CB-CG2 4.26Å; H98-V139 PolarHBondContact CE1-O 3.14Å; H98-V139 PolarHBondContact ND1-N 3.04Å; H98-V139 PolarHBondContact ND1-O 3.05Å; V100-V139 HydrophobicContact CG2-CG2 4.38Å; V100-V139 VanDerWaalsContact CG2-O 3.23Å; V100-V139 WeakPolarHBondContact CG2-O 3.28Å; L108-V139 HydrophobicContact CD2-CB 3.72Å; L108-V139 HydrophobicContact CD2-CG1 4.23Å; L108-V139 HydrophobicContact CD2-CG2 4.31Å; L108-V139 HydrophobicContact CG-CB 3.99Å; L108-V139 HydrophobicContact CG-CG1 4.28Å; L108-V139 HydrophobicContact CG-CG2 4.17Å; A110-V139 HydrophobicContact CB-CG1 3.41Å; A110-V139 VanDerWaalsContact CB-CG1 3.41Å; A110-V139 HydrophobicContact CB-CG2 4.36Å; V116-V139 HydrophobicContact CG1-CG1 4.03Å; V136-V139 HydrophobicContact CG1-CG1 4.12Å; V139-S149 WeakPolarHBondContact CA-O 3.39Å; V139-T150 HydrophobicContact CG1-CG2 4.09Å |
| 140 | S | 95.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.2 | 167.4 | 54 | 0 | 0 | 0 | 0 | 111.2 | A148 S149 | S140-A148 WeakPolarHBondContact O-CA 3.34Å; S140-S149 PolarHBondContact N-O 3Å; S140-S149 PolarHBondContact O-N 3.45Å; S140-S149 PolarHBondContact OG-OG 3.39Å |
| 141 | V | 95.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 19.1 Ų | 19.1 | 11% | 0.109 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142 | -178 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | V100 L108 W118 T145 L162 | V100-V141 HydrophobicContact CG1-CG2 4.49Å; L108-V141 HydrophobicContact CB-CG2 3.77Å; L108-V141 HydrophobicContact CD2-CG2 3.59Å; L108-V141 HydrophobicContact CG-CG2 4.33Å; W118-V141 HydrophobicContact CH2-CG1 3.98Å; W118-V141 HydrophobicContact CH2-CG2 4.28Å; W118-V141 HydrophobicContact CZ3-CG1 4.38Å; W118-V141 HydrophobicContact CZ3-CG2 3.85Å; V141-T145 HydrophobicContact CG1-CG2 4.22Å; V141-L162 HydrophobicContact CG1-CD1 4.02Å |
| 142 | D | 92.9 | Very high | 93 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.011 | 11% | 0.105 | C | C | . | . | trans | -70.9 | 156.9 | 176 | 93 | -71.9 | 0 | 0 | 0 | 111.4 | F144 T145 V146 F147 W191 R212 | D142-F144 PolarHBondContact O-N 3.46Å; D142-F144 WeakPolarHBondContact OD2-CB 3.36Å; D142-F144 WeakPolarHBondContact OD2-CD2 3.45Å; D142-F144 PolarHBondContact OD2-N 3.47Å; D142-T145 PolarHBondContact O-N 3.01Å; D142-T145 VanDerWaalsContact O-N 3.11Å; D142-T145 WeakPolarHBondContact OD1-CA 3.5Å; D142-T145 PolarHBondContact OD1-N 3.41Å; D142-T145 VanDerWaalsContact OD1-N 3.07Å; D142-V146 PolarHBondContact OD1-N 3.26Å; D142-F147 HydrophobicContact CB-CB 4.43Å; D142-F147 PolarHBondContact N-O 3.03Å; D142-F147 PolarHBondContact OD1-N 3.41Å; D142-W191 HydrophobicContact CB-CD2 3.76Å; D142-W191 HydrophobicContact CB-CE3 4.05Å; D142-W191 HydrophobicContact CB-CG 4.13Å; D142-W191 HydrophobicContact CB-CH2 4.41Å; D142-W191 HydrophobicContact CB-CZ2 4.16Å; D142-W191 HydrophobicContact CB-CZ3 4.37Å; D142-R212 IonicContact OD2-CZ 3.03Å; D142-R212 IonicContact OD2-NH2 2.83Å; D142-R212 PolarHBondContact OD2-NH2 3.38Å | ||
| 143 | P | 90.8 | Very high | 92.9 | Very high | 31 Ų | 31 | 16.2 Ų | 16.2 | 20% | 0.201 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.1 | -175.9 | 24.9 | -34.2 | 0 | 0 | 0 | 114.8 | G196 | P143-G196 VanDerWaalsContact CG-CA 3.48Š|
| 144 | F | 88.7 | Confident | 92.9 | Very high | 95 Ų | 95 | 14.7 Ų | 14.7 | 42% | 0.417 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 1.3 | 177.1 | -54.8 | -78.7 | 0 | 0 | 0 | 114.4 | D142 V146 N194 L195 R212 | D142-F144 PolarHBondContact O-N 3.46Å; D142-F144 WeakPolarHBondContact OD2-CB 3.36Å; D142-F144 WeakPolarHBondContact OD2-CD2 3.45Å; D142-F144 PolarHBondContact OD2-N 3.47Å; F144-V146 HydrophobicContact CB-CG2 3.98Å; F144-V146 PolarHBondContact O-N 3.29Å; F144-N194 WeakPolarHBondContact CZ-O 3.37Å; F144-L195 WeakPolarHBondContact CE2-O 3.48Å; F144-R212 VanDerWaalsContact CE2-NH1 3.33Å |
| 145 | T | 90.7 | Very high | 92.8 | Very high | 30 Ų | 30 | 14.6 Ų | 14.6 | 18% | 0.184 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 57.7 | 29.7 | -177.8 | 62.6 | 0 | 0 | 0 | 0 | 115.3 | N104 W118 V141 D142 | N104-T145 HydrophobicContact CB-CG2 4.23Å; N104-T145 PolarHBondContact ND2-OG1 3.27Å; W118-T145 HydrophobicContact CH2-CG2 4.33Å; W118-T145 HydrophobicContact CZ2-CG2 4.5Å; V141-T145 HydrophobicContact CG1-CG2 4.22Å; D142-T145 PolarHBondContact O-N 3.01Å; D142-T145 VanDerWaalsContact O-N 3.11Å; D142-T145 WeakPolarHBondContact OD1-CA 3.5Å; D142-T145 PolarHBondContact OD1-N 3.41Å; D142-T145 VanDerWaalsContact OD1-N 3.07Å |
| 146 | V | 92.5 | Very high | 93 | Very high | 57 Ų | 57 | 15.5 Ų | 15.5 | 35% | 0.345 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -91 | -37.4 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 111 | D142 F144 L162 | D142-V146 PolarHBondContact OD1-N 3.26Å; F144-V146 HydrophobicContact CB-CG2 3.98Å; F144-V146 PolarHBondContact O-N 3.29Å; V146-L162 PolarHBondContact O-N 3.43Å |
| 147 | F | 93.9 | Very high | 93.1 | Very high | 26 Ų | 26 | 15.5 Ų | 15.5 | 11% | 0.114 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.7 | -174.8 | -57.4 | -51.8 | 0 | 0 | 0 | 112.7 | D142 W160 Q161 I168 W191 R212 W215 | D142-F147 HydrophobicContact CB-CB 4.43Å; D142-F147 PolarHBondContact N-O 3.03Å; D142-F147 PolarHBondContact OD1-N 3.41Å; F147-W160 VanDerWaalsContact CA-O 3.25Å; F147-W160 WeakPolarHBondContact CA-O 2.76Å; F147-Q161 HydrophobicContact CD1-CG 4.39Å; F147-Q161 HydrophobicContact CE1-CG 4.1Å; F147-I168 HydrophobicContact CD1-CD1 3.63Å; F147-I168 HydrophobicContact CE1-CD1 3.31Å; F147-I168 HydrophobicContact CZ-CD1 4.3Å; F147-W191 HydrophobicContact CB-CH2 4.38Å; F147-W191 HydrophobicContact CB-CZ2 4.09Å; F147-R212 HydrophobicContact CD2-CG 3.94Å; F147-R212 HydrophobicContact CE2-CG 3.84Å; F147-W215 HydrophobicContact CB-CH2 4.35Å; F147-W215 HydrophobicContact CD1-CZ2 4.36Å; F147-W215 AromaticContact CD2-CH2 3.93Å; F147-W215 HydrophobicContact CD2-CH2 3.93Å; F147-W215 HydrophobicContact CD2-CZ2 4.05Å; F147-W215 HydrophobicContact CE1-CZ2 4.41Å; F147-W215 HydrophobicContact CE2-CH2 4.38Å; F147-W215 HydrophobicContact CE2-CZ2 4.09Å; F147-W215 HydrophobicContact CG-CH2 4.06Å; F147-W215 HydrophobicContact CG-CZ2 4.2Å; F147-W215 HydrophobicContact CZ-CZ2 4.28Å |
| 148 | A | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 146.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L108 L129 S140 I159 W160 L162 | L108-A148 HydrophobicContact CD2-CB 3.63Å; L129-A148 HydrophobicContact CD1-CB 4.41Å; S140-A148 WeakPolarHBondContact O-CA 3.34Å; A148-I159 WeakPolarHBondContact O-CA 3.21Å; A148-W160 HydrophobicContact CB-CB 4.37Å; A148-W160 PolarHBondContact N-O 3.42Å; A148-W160 PolarHBondContact O-N 3.31Å; A148-L162 HydrophobicContact CB-CD1 4.12Å; A148-L162 HydrophobicContact CB-CD2 3.73Å; A148-L162 HydrophobicContact CB-CG 4.05Å |
| 149 | S | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.7 | 173.6 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | V139 S140 R158 M189 | V139-S149 WeakPolarHBondContact CA-O 3.39Å; S140-S149 PolarHBondContact N-O 3Å; S140-S149 PolarHBondContact O-N 3.45Å; S140-S149 PolarHBondContact OG-OG 3.39Å; S149-R158 CarbonylContact C-O 3.58Å; S149-R158 WeakPolarHBondContact CA-O 3.21Å; S149-M189 WeakPolarHBondContact O-CE 3.42Å |
| 150 | T | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 118.2 | -176.2 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | V116 L129 H132 V139 R158 W160 | V116-T150 HydrophobicContact CG1-CG2 4.22Å; V116-T150 HydrophobicContact CG2-CG2 4.2Å; L129-T150 HydrophobicContact CD1-CG2 4.19Å; H132-T150 WeakPolarHBondContact NE2-CB 3.17Å; H132-T150 PolarHBondContact NE2-OG1 3.08Å; V139-T150 HydrophobicContact CG1-CG2 4.09Å; T150-R158 PolarHBondContact N-O 3.15Å; T150-R158 PolarHBondContact O-N 3.31Å; T150-R158 PolarHBondContact OG1-O 3.2Å; T150-W160 PolarHBondContact OG1-NE1 3.3Å |
| 151 | A | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V136 L137 S138 F174 A187 M189 | V136-A151 CarbonylContact C-O 3.6Å; V136-A151 WeakPolarHBondContact CG1-O 3.32Å; L137-A151 PolarHBondContact N-O 3.07Å; S138-A151 PolarHBondContact N-O 2.86Å; S138-A151 PolarHBondContact O-N 3.36Å; A151-F174 HydrophobicContact CB-CD2 4.13Å; A151-F174 HydrophobicContact CB-CE2 3.36Å; A151-F174 HydrophobicContact CB-CZ 3.61Å; A151-A187 HydrophobicContact CB-CB 3.8Å; A151-M189 HydrophobicContact CB-CE 3.77Å; A151-M189 HydrophobicContact CB-SD 4.16Å |
| 152 | C | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146 | -173.4 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | A134 D154 G155 N156 | A134-C152 PolarHBondContact O-SG 3.36Å; C152-D154 WeakPolarHBondContact CB-OD1 3.28Å; C152-D154 PolarHBondContact O-N 3.24Å; C152-D154 VanDerWaalsContact O-N 3.08Å; C152-D154 PolarHBondContact SG-OD1 3.23Å; C152-G155 PolarHBondContact O-N 3.42Å; C152-G155 VanDerWaalsContact O-N 3.09Å; C152-N156 PolarHBondContact N-O 3.46Å |
| 153 | G | 89.7 | Confident | 92.9 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -7.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P135 G155 K176 V177 | P135-G153 PolarHBondContact O-N 3.04Å; G153-G155 PolarHBondContact O-N 3.25Å; G153-K176 CarbonylContact O-C 3.57Å; G153-K176 VanDerWaalsContact O-CA 3.23Å; G153-K176 WeakPolarHBondContact O-CA 3.09Å; G153-V177 CarbonylContact C-O 3.47Å; G153-V177 WeakPolarHBondContact CA-O 3.33Å; G153-V177 PolarHBondContact O-N 3.49Å; G153-V177 VanDerWaalsContact O-O 3.14Å |
| 154 | D | 90.4 | Very high | 92.8 | Very high | 22 Ų | 22 | 26 Ų | 26 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -1.1 | 171.2 | 70.5 | 7.7 | 0 | 0 | 0 | 113.1 | G133 A134 C152 N156 R158 K176 | G133-D154 PolarHBondContact N-OD2 3.12Å; A134-D154 HydrophobicContact CB-CB 3.97Å; C152-D154 WeakPolarHBondContact CB-OD1 3.28Å; C152-D154 PolarHBondContact O-N 3.24Å; C152-D154 VanDerWaalsContact O-N 3.08Å; C152-D154 PolarHBondContact SG-OD1 3.23Å; D154-N156 VanDerWaalsContact OD1-CB 3.25Å; D154-N156 WeakPolarHBondContact OD1-CB 3.42Å; D154-N156 PolarHBondContact OD1-N 3.46Å; D154-N156 PolarHBondContact OD1-ND2 3.21Å; D154-N156 PolarHBondContact OD2-ND2 3.43Å; D154-R158 IonicContact OD1-NH1 2.73Å; D154-R158 PolarHBondContact OD1-NH1 3.19Å; D154-R158 IonicContact OD2-CZ 2.75Å; D154-R158 IonicContact OD2-NH1 2.93Å; D154-R158 PolarHBondContact OD2-NH1 3.05Å; D154-R158 IonicContact OD2-NH2 3.5Å; D154-R158 PolarHBondContact OD2-NH2 3.25Å; D154-K176 VanDerWaalsContact O-CE 3.28Å; D154-K176 WeakPolarHBondContact O-CE 3.08Å |
| 155 | G | 90.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 23 Ų | 23 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 97.3 | -6.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C152 G153 I173 F174 | C152-G155 PolarHBondContact O-N 3.42Å; C152-G155 VanDerWaalsContact O-N 3.09Å; G153-G155 PolarHBondContact O-N 3.25Å; G155-I173 PolarHBondContact O-N 3.04Å; G155-F174 WeakPolarHBondContact CA-O 3.45Å; G155-F174 PolarHBondContact O-N 3.14Å |
| 156 | N | 94.6 | Very high | 93 | Very high | 27 Ų | 27 | 23.6 Ų | 23.6 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.1 | -171.5 | -54.7 | -61 | 0 | 0 | 0 | 113 | C152 D154 T170 L171 C172 | C152-N156 PolarHBondContact N-O 3.46Å; D154-N156 VanDerWaalsContact OD1-CB 3.25Å; D154-N156 WeakPolarHBondContact OD1-CB 3.42Å; D154-N156 PolarHBondContact OD1-N 3.46Å; D154-N156 PolarHBondContact OD1-ND2 3.21Å; D154-N156 PolarHBondContact OD2-ND2 3.43Å; N156-T170 HydrophobicContact CB-CG2 3.71Å; N156-L171 CarbonylContact C-O 3.23Å; N156-L171 WeakPolarHBondContact CA-O 3.4Å; N156-C172 PolarHBondContact OD1-SG 3.38Å |
| 157 | L | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.2 | 152.7 | 176.5 | 55.9 | 0 | 0 | 0 | 108.2 | I159 T170 L171 I173 F174 M189 L199 V201 | L157-I159 HydrophobicContact CD1-CD1 4.26Å; L157-I159 HydrophobicContact CD2-CD1 4.3Å; L157-I159 HydrophobicContact CG-CD1 4.09Å; L157-T170 CarbonylContact O-C 3.51Å; L157-T170 WeakPolarHBondContact O-CA 3.37Å; L157-L171 HydrophobicContact CB-CB 4.34Å; L157-L171 HydrophobicContact CD2-CD1 4.45Å; L157-L171 PolarHBondContact N-O 3.24Å; L157-L171 PolarHBondContact O-N 2.83Å; L157-I173 HydrophobicContact CB-CD1 3.86Å; L157-I173 HydrophobicContact CB-CG1 4.48Å; L157-I173 HydrophobicContact CD2-CD1 3.68Å; L157-I173 HydrophobicContact CG-CD1 4.41Å; L157-F174 HydrophobicContact CB-CE2 3.83Å; L157-M189 HydrophobicContact CD1-CE 4.13Å; L157-M189 HydrophobicContact CD1-SD 3.34Å; L157-M189 WeakPolarHBondContact CD1-SD 3.43Å; L157-M189 HydrophobicContact CD2-SD 4.41Å; L157-L199 HydrophobicContact CD2-CD2 4.28Å; L157-V201 HydrophobicContact CD2-CG1 4.25Å; L157-V201 HydrophobicContact CD2-CG2 3.73Å |
| 158 | R | 95.8 | Very high | 93 | Very high | 27 Ų | 27 | 25.5 Ų | 25.5 | 10% | 0.102 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140.1 | 169.2 | -68.8 | 175.6 | -177.2 | 75.1 | -6.8 | 110.4 | G131 S149 T150 D154 W160 K169 T170 | G131-R158 PolarHBondContact O-NE 3.12Å; G131-R158 PolarHBondContact O-NH2 3.29Å; S149-R158 CarbonylContact C-O 3.58Å; S149-R158 WeakPolarHBondContact CA-O 3.21Å; T150-R158 PolarHBondContact N-O 3.15Å; T150-R158 PolarHBondContact O-N 3.31Å; T150-R158 PolarHBondContact OG1-O 3.2Å; D154-R158 IonicContact OD1-NH1 2.73Å; D154-R158 PolarHBondContact OD1-NH1 3.19Å; D154-R158 IonicContact OD2-CZ 2.75Å; D154-R158 IonicContact OD2-NH1 2.93Å; D154-R158 PolarHBondContact OD2-NH1 3.05Å; D154-R158 IonicContact OD2-NH2 3.5Å; D154-R158 PolarHBondContact OD2-NH2 3.25Å; R158-W160 HydrophobicContact CB-CZ2 4.01Å; R158-W160 HydrophobicContact CG-CZ2 4.44Å; R158-K169 CarbonylContact C-O 3.6Å; R158-K169 WeakPolarHBondContact CA-O 3.15Å; R158-T170 HydrophobicContact CG-CG2 4.11Å |
| 159 | I | 95.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.4 | 175 | -54.5 | -56.9 | 0 | 0 | 0 | 108.3 | A148 L157 C167 I168 K169 L199 W215 | A148-I159 WeakPolarHBondContact O-CA 3.21Å; L157-I159 HydrophobicContact CD1-CD1 4.26Å; L157-I159 HydrophobicContact CD2-CD1 4.3Å; L157-I159 HydrophobicContact CG-CD1 4.09Å; I159-C167 CarbonylContact O-C 3.58Å; I159-C167 WeakPolarHBondContact O-CA 3.43Å; I159-I168 PolarHBondContact O-N 3.03Å; I159-K169 HydrophobicContact CB-CB 4.04Å; I159-K169 HydrophobicContact CG1-CB 4.09Å; I159-K169 PolarHBondContact N-O 3.29Å; I159-K169 PolarHBondContact O-N 2.84Å; I159-L199 HydrophobicContact CD1-CD2 3.83Å; I159-W215 HydrophobicContact CB-CE3 4.49Å; I159-W215 HydrophobicContact CB-CH2 4.37Å; I159-W215 HydrophobicContact CB-CZ3 4.32Å; I159-W215 HydrophobicContact CD1-CE3 4.19Å; I159-W215 HydrophobicContact CD1-CZ3 3.9Å; I159-W215 HydrophobicContact CG1-CD2 4.31Å; I159-W215 HydrophobicContact CG1-CE3 3.81Å; I159-W215 HydrophobicContact CG1-CH2 4.41Å; I159-W215 HydrophobicContact CG1-CZ3 3.86Å; I159-W215 HydrophobicContact CG2-CD2 4.26Å; I159-W215 HydrophobicContact CG2-CE3 4.07Å; I159-W215 HydrophobicContact CG2-CH2 3.2Å; I159-W215 HydrophobicContact CG2-CZ2 3.43Å; I159-W215 VanDerWaalsContact CG2-CZ2 3.43Å; I159-W215 HydrophobicContact CG2-CZ3 3.55Å |
| 160 | W | 95.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.9 | -173.7 | -56 | 86.4 | 0 | 0 | 0 | 110.8 | L129 D130 H132 F147 A148 T150 R158 S166 C167 | L129-W160 HydrophobicContact CB-CD2 3.91Å; L129-W160 HydrophobicContact CB-CE3 3.98Å; L129-W160 HydrophobicContact CB-CG 4.47Å; L129-W160 HydrophobicContact CB-CH2 4.28Å; L129-W160 HydrophobicContact CB-CZ2 4.2Å; L129-W160 HydrophobicContact CB-CZ3 4.16Å; L129-W160 HydrophobicContact CD1-CB 4.23Å; L129-W160 HydrophobicContact CD1-CD2 4.13Å; L129-W160 HydrophobicContact CD1-CG 3.81Å; L129-W160 HydrophobicContact CD2-CB 4.38Å; L129-W160 HydrophobicContact CD2-CD2 4.37Å; L129-W160 HydrophobicContact CD2-CE3 4.3Å; L129-W160 HydrophobicContact CD2-CG 4.39Å; L129-W160 HydrophobicContact CG-CD2 4.36Å; L129-W160 HydrophobicContact CG-CG 4.46Å; D130-W160 VanDerWaalsContact O-CH2 3.28Å; D130-W160 WeakPolarHBondContact O-CH2 3.22Å; H132-W160 AromaticContact CE1-CE2 3.99Å; H132-W160 AromaticContact CE1-CZ2 3.39Å; H132-W160 WeakPolarHBondContact CE1-CZ2 3.2Å; H132-W160 AromaticContact NE2-CZ2 3.69Å; H132-W160 AromaticContact NE2-NE1 3.94Å; F147-W160 VanDerWaalsContact CA-O 3.25Å; F147-W160 WeakPolarHBondContact CA-O 2.76Å; A148-W160 HydrophobicContact CB-CB 4.37Å; A148-W160 PolarHBondContact N-O 3.42Å; A148-W160 PolarHBondContact O-N 3.31Å; T150-W160 PolarHBondContact OG1-NE1 3.3Å; R158-W160 HydrophobicContact CB-CZ2 4.01Å; R158-W160 HydrophobicContact CG-CZ2 4.44Å; W160-S166 CarbonylContact C-O 3.46Å; W160-S166 VanDerWaalsContact CA-O 3.25Å; W160-S166 WeakPolarHBondContact CA-O 3.34Å; W160-C167 HydrophobicContact CD2-CB 4.3Å; W160-C167 HydrophobicContact CE3-CB 3.85Å; W160-C167 HydrophobicContact CH2-CB 3.91Å; W160-C167 HydrophobicContact CZ2-CB 4.37Å; W160-C167 HydrophobicContact CZ3-CB 3.65Å |
| 161 | Q | 93.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 33.7 Ų | 33.7 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.2 | 163 | -155.8 | 169.5 | -59.5 | 0 | 0 | 108.9 | F147 S163 D164 V165 S166 I168 | F147-Q161 HydrophobicContact CD1-CG 4.39Å; F147-Q161 HydrophobicContact CE1-CG 4.1Å; Q161-S163 WeakPolarHBondContact CG-OG 3.25Å; Q161-S163 PolarHBondContact NE2-OG 3.4Å; Q161-D164 WeakPolarHBondContact CB-OD1 3.13Å; Q161-D164 WeakPolarHBondContact CG-OD1 3.22Å; Q161-D164 PolarHBondContact NE2-OD1 3.49Å; Q161-V165 VanDerWaalsContact O-CA 3.27Å; Q161-V165 WeakPolarHBondContact O-CA 3.27Å; Q161-V165 PolarHBondContact O-N 2.83Å; Q161-S166 PolarHBondContact N-O 3.17Å; Q161-S166 PolarHBondContact O-N 3.33Å; Q161-I168 HydrophobicContact CB-CD1 3.77Å; Q161-I168 HydrophobicContact CB-CG1 3.93Å; Q161-I168 HydrophobicContact CG-CD1 4.3Å |
| 162 | L | 92 | Very high | 92.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.1 | -173.2 | -71.2 | 172.4 | 0 | 0 | 0 | 113.8 | W118 L129 V141 V146 A148 | W118-L162 HydrophobicContact CD2-CD2 4Å; W118-L162 HydrophobicContact CG-CD2 3.94Å; W118-L162 HydrophobicContact CH2-CD1 4.18Å; W118-L162 HydrophobicContact CZ2-CD1 3.79Å; L129-L162 HydrophobicContact CD2-CD2 4.47Å; V141-L162 HydrophobicContact CG1-CD1 4.02Å; V146-L162 PolarHBondContact O-N 3.43Å; A148-L162 HydrophobicContact CB-CD1 4.12Å; A148-L162 HydrophobicContact CB-CD2 3.73Å; A148-L162 HydrophobicContact CB-CG 4.05Å |
| 163 | S | 88.7 | Confident | 92.2 | Very high | 89 Ų | 89 | 40.7 Ų | 40.7 | 62% | 0.622 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -35.2 | 177.8 | 46 | 0 | 0 | 0 | 0 | 114 | Q161 | Q161-S163 WeakPolarHBondContact CG-OG 3.25Å; Q161-S163 PolarHBondContact NE2-OG 3.4Å |
| 164 | D | 89.4 | Confident | 92.1 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 47% | 0.465 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 2.6 | -166.9 | 58.1 | -56.4 | 0 | 0 | 0 | 112 | Q161 S166 | Q161-D164 WeakPolarHBondContact CB-OD1 3.13Å; Q161-D164 WeakPolarHBondContact CG-OD1 3.22Å; Q161-D164 PolarHBondContact NE2-OD1 3.49Å; D164-S166 PolarHBondContact O-N 3.38Å; D164-S166 WeakPolarHBondContact OD2-CB 3.44Å; D164-S166 PolarHBondContact OD2-OG 3.37Å |
| 165 | V | 91.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 22.7 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | Q127 R128 L129 Q161 | Q127-V165 HydrophobicContact CB-CG2 3.89Å; Q127-V165 HydrophobicContact CG-CG2 4.2Å; Q127-V165 VanDerWaalsContact OE1-CG2 3.31Å; R128-V165 WeakPolarHBondContact O-CG1 3.06Å; L129-V165 HydrophobicContact CD2-CB 4.39Å; L129-V165 HydrophobicContact CD2-CG1 3.63Å; L129-V165 HydrophobicContact CD2-CG2 4.49Å; Q161-V165 VanDerWaalsContact O-CA 3.27Å; Q161-V165 WeakPolarHBondContact O-CA 3.27Å; Q161-V165 PolarHBondContact O-N 2.83Å |
| 166 | S | 91.5 | Very high | 91.4 | Very high | 42 Ų | 42 | 52 Ų | 52 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 140.5 | -178 | 65.5 | 0 | 0 | 0 | 0 | 112.6 | W160 Q161 D164 I168 | W160-S166 CarbonylContact C-O 3.46Å; W160-S166 VanDerWaalsContact CA-O 3.25Å; W160-S166 WeakPolarHBondContact CA-O 3.34Å; Q161-S166 PolarHBondContact N-O 3.17Å; Q161-S166 PolarHBondContact O-N 3.33Å; D164-S166 PolarHBondContact O-N 3.38Å; D164-S166 WeakPolarHBondContact OD2-CB 3.44Å; D164-S166 PolarHBondContact OD2-OG 3.37Å; S166-I168 PolarHBondContact O-N 3.01Å |
| 167 | C | 93.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 104.6 | 171.7 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | I159 W160 | I159-C167 CarbonylContact O-C 3.58Å; I159-C167 WeakPolarHBondContact O-CA 3.43Å; W160-C167 HydrophobicContact CD2-CB 4.3Å; W160-C167 HydrophobicContact CE3-CB 3.85Å; W160-C167 HydrophobicContact CH2-CB 3.91Å; W160-C167 HydrophobicContact CZ2-CB 4.37Å; W160-C167 HydrophobicContact CZ3-CB 3.65Å |
| 168 | I | 93.3 | Very high | 90 | Very high | 70 Ų | 70 | 59 Ų | 59 | 36% | 0.359 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | -41 | -179 | -46.4 | 173.3 | 0 | 0 | 0 | 110.8 | F147 I159 Q161 S166 | F147-I168 HydrophobicContact CD1-CD1 3.63Å; F147-I168 HydrophobicContact CE1-CD1 3.31Å; F147-I168 HydrophobicContact CZ-CD1 4.3Å; I159-I168 PolarHBondContact O-N 3.03Å; Q161-I168 HydrophobicContact CB-CD1 3.77Å; Q161-I168 HydrophobicContact CB-CG1 3.93Å; Q161-I168 HydrophobicContact CG-CD1 4.3Å; S166-I168 PolarHBondContact O-N 3.01Å |
| 169 | K | 92.5 | Very high | 88.9 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 134.1 | -170.3 | -159.4 | 79.4 | 169.3 | -158.3 | 0 | 110.9 | R158 I159 L171 W215 | R158-K169 CarbonylContact C-O 3.6Å; R158-K169 WeakPolarHBondContact CA-O 3.15Å; I159-K169 HydrophobicContact CB-CB 4.04Å; I159-K169 HydrophobicContact CG1-CB 4.09Å; I159-K169 PolarHBondContact N-O 3.29Å; I159-K169 PolarHBondContact O-N 2.84Å; K169-L171 HydrophobicContact CG-CD2 3.96Å; K169-L171 HydrophobicContact CG-CG 4.01Å; K169-W215 HydrophobicContact CB-CB 4.49Å; K169-W215 HydrophobicContact CB-CG 4.19Å; K169-W215 HydrophobicContact CD-CB 4.01Å; K169-W215 HydrophobicContact CD-CG 4.31Å; K169-W215 HydrophobicContact CG-CB 3.86Å; K169-W215 HydrophobicContact CG-CG 4.08Å |
| 170 | T | 93.6 | Very high | 88 | Confident | 70 Ų | 70 | 63.3 Ų | 63.3 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.3 | 168 | -56.4 | 0 | 0 | 0 | 0 | 108.4 | N156 L157 R158 | N156-T170 HydrophobicContact CB-CG2 3.71Å; L157-T170 CarbonylContact O-C 3.51Å; L157-T170 WeakPolarHBondContact O-CA 3.37Å; R158-T170 HydrophobicContact CG-CG2 4.11Å |
| 171 | L | 92 | Very high | 86.6 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.1 | -179 | -59.5 | 173.9 | 0 | 0 | 0 | 109.3 | N156 L157 K169 I173 Y210 | N156-L171 CarbonylContact C-O 3.23Å; N156-L171 WeakPolarHBondContact CA-O 3.4Å; L157-L171 HydrophobicContact CB-CB 4.34Å; L157-L171 HydrophobicContact CD2-CD1 4.45Å; L157-L171 PolarHBondContact N-O 3.24Å; L157-L171 PolarHBondContact O-N 2.83Å; K169-L171 HydrophobicContact CG-CD2 3.96Å; K169-L171 HydrophobicContact CG-CG 4.01Å; L171-I173 HydrophobicContact CB-CD1 3.79Å; L171-I173 HydrophobicContact CB-CG1 3.91Å; L171-I173 HydrophobicContact CD1-CD1 4.21Å; L171-I173 PolarHBondContact O-N 3Å; L171-Y210 HydrophobicContact CD1-CD1 3.93Å; L171-Y210 HydrophobicContact CD1-CE1 3.69Å |
| 172 | C | 91.4 | Very high | 84.8 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 78% | 0.777 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 98.1 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | N156 | N156-C172 PolarHBondContact OD1-SG 3.38Å |
| 173 | I | 88.4 | Confident | 83.2 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 16% | 0.159 | 39% | 0.392 | C | S | . | . | trans | -121.2 | -35.9 | -170.3 | -62.3 | 178.2 | 0 | 0 | 0 | 112.1 | G155 L157 L171 V201 A203 Y210 | G155-I173 PolarHBondContact O-N 3.04Å; L157-I173 HydrophobicContact CB-CD1 3.86Å; L157-I173 HydrophobicContact CB-CG1 4.48Å; L157-I173 HydrophobicContact CD2-CD1 3.68Å; L157-I173 HydrophobicContact CG-CD1 4.41Å; L171-I173 HydrophobicContact CB-CD1 3.79Å; L171-I173 HydrophobicContact CB-CG1 3.91Å; L171-I173 HydrophobicContact CD1-CD1 4.21Å; L171-I173 PolarHBondContact O-N 3Å; I173-V201 HydrophobicContact CD1-CG1 4.36Å; I173-V201 HydrophobicContact CG2-CG1 4.2Å; I173-A203 HydrophobicContact CG2-CB 3.41Å; I173-A203 VanDerWaalsContact CG2-CB 3.41Å; I173-Y210 HydrophobicContact CD1-CE2 3.69Å; I173-Y210 WeakPolarHBondContact CD1-OH 3.24Å | ||
| 174 | F | 86.2 | Confident | 81.9 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -99.1 | 152.9 | -170.1 | -53.2 | -64.6 | 0 | 0 | 0 | 111.7 | A151 G155 L157 A187 V201 | A151-F174 HydrophobicContact CB-CD2 4.13Å; A151-F174 HydrophobicContact CB-CE2 3.36Å; A151-F174 HydrophobicContact CB-CZ 3.61Å; G155-F174 WeakPolarHBondContact CA-O 3.45Å; G155-F174 PolarHBondContact O-N 3.14Å; L157-F174 HydrophobicContact CB-CE2 3.83Å; F174-A187 HydrophobicContact CD1-CB 4.12Å; F174-A187 HydrophobicContact CE1-CB 3.7Å; F174-A187 HydrophobicContact CZ-CB 4.03Å; F174-V201 HydrophobicContact CE1-CG1 3.91Å; F174-V201 HydrophobicContact CZ-CG1 3.62Å |
| 175 | P | 82.1 | Confident | 81.2 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 152 | 164.6 | 30.1 | -35.1 | 0 | 0 | 0 | 110.2 | ||
| 176 | K | 83.9 | Confident | 81 | Confident | 171 Ų | 171 | 69.9 Ų | 69.9 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 132.6 | 174.8 | -62.9 | -165.3 | 176 | -170.8 | 0 | 110.9 | G153 D154 | G153-K176 CarbonylContact O-C 3.57Å; G153-K176 VanDerWaalsContact O-CA 3.23Å; G153-K176 WeakPolarHBondContact O-CA 3.09Å; D154-K176 VanDerWaalsContact O-CE 3.28Å; D154-K176 WeakPolarHBondContact O-CE 3.08Å |
| 177 | V | 82.3 | Confident | 80.9 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | trans | -143.6 | 137.5 | 179.1 | -165.1 | 0 | 0 | 0 | 0 | 110.1 | G153 T183 | G153-V177 CarbonylContact C-O 3.47Å; G153-V177 WeakPolarHBondContact CA-O 3.33Å; G153-V177 PolarHBondContact O-N 3.49Å; G153-V177 VanDerWaalsContact O-O 3.14Å; V177-T183 HydrophobicContact CB-CG2 3.97Å; V177-T183 HydrophobicContact CG1-CG2 3.55Å; V177-T183 HydrophobicContact CG2-CG2 4.34Å | ||
| 178 | N | 77.5 | Confident | 81 | Confident | 144 Ų | 144 | 66.3 Ų | 66.3 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -98.6 | -10.9 | -173.3 | -63.1 | -9.4 | 0 | 0 | 0 | 114.2 | P135 | P135-N178 WeakPolarHBondContact CG-O 3.48Š|
| 179 | E | 73.1 | Confident | 81 | Confident | 105 Ų | 105 | 63.6 Ų | 63.6 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | trans | -147.6 | 123.6 | -171.7 | -177.1 | 173.5 | -170.9 | 0 | 0 | 112 | R181 L182 T183 | E179-R181 PolarHBondContact O-N 3.31Å; E179-L182 HydrophobicContact CG-CG 4.47Å; E179-L182 PolarHBondContact O-N 3.02Å; E179-L182 VanDerWaalsContact OE2-CD1 3.26Å; E179-L182 WeakPolarHBondContact OE2-CD1 3.45Å; E179-T183 WeakPolarHBondContact O-CG2 3.4Å; E179-T183 PolarHBondContact O-N 2.92Å | ||
| 180 | F | 77.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -57.8 | -45.8 | -175.3 | 171.5 | -112.4 | 0 | 0 | 0 | 113.9 | I15 T97 L137 L182 T183 L186 | I15-F180 HydrophobicContact CD1-CE1 3.53Å; I15-F180 HydrophobicContact CD1-CE2 4.29Å; I15-F180 HydrophobicContact CD1-CZ 3.33Å; T97-F180 HydrophobicContact CG2-CB 3.95Å; T97-F180 HydrophobicContact CG2-CD1 3.9Å; T97-F180 HydrophobicContact CG2-CD2 3.61Å; T97-F180 HydrophobicContact CG2-CE1 4.24Å; T97-F180 HydrophobicContact CG2-CE2 3.99Å; T97-F180 HydrophobicContact CG2-CG 3.55Å; T97-F180 HydrophobicContact CG2-CZ 4.28Å; T97-F180 WeakPolarHBondContact O-CZ 3.31Å; L137-F180 HydrophobicContact CD2-CD2 4.37Å; F180-L182 PolarHBondContact O-N 3.35Å; F180-T183 PolarHBondContact O-N 2.84Å; F180-T183 VanDerWaalsContact O-N 3.15Å; F180-T183 PolarHBondContact O-OG1 3.36Å; F180-L186 HydrophobicContact CE2-CD2 4.1Å |
| 181 | R | 66.6 | Low | 81.2 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -67.4 | -18.1 | -177 | -79.3 | -176.5 | 160.2 | 159.6 | -4.9 | 113.9 | E55 E71 E179 | E55-R181 IonicContact OE1-NH2 3.22Å; E55-R181 IonicContact OE2-CZ 3.64Å; E55-R181 IonicContact OE2-NH2 3.43Å; E55-R181 PolarHBondContact OE2-NH2 2.98Å; E71-R181 IonicContact OE1-CZ 3.8Å; E71-R181 VanDerWaalsContact OE1-CZ 3.29Å; E71-R181 IonicContact OE1-NH1 2.79Å; E71-R181 PolarHBondContact OE1-NH1 3.41Å; E71-R181 IonicContact OE1-NH2 2.72Å; E71-R181 PolarHBondContact OE1-NH2 3.44Å; E71-R181 VanDerWaalsContact OE1-NH2 3.17Å; E71-R181 IonicContact OE2-CZ 2.67Å; E71-R181 IonicContact OE2-NH1 2.69Å; E71-R181 IonicContact OE2-NH2 3.78Å; E71-R181 PolarHBondContact OE2-NH2 2.84Å; E179-R181 PolarHBondContact O-N 3.31Å |
| 182 | L | 54.2 | Low | 81.3 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -101.8 | 6.6 | 176.9 | -61.2 | -178.3 | 0 | 0 | 0 | 113.3 | E179 F180 H184 | E179-L182 HydrophobicContact CG-CG 4.47Å; E179-L182 PolarHBondContact O-N 3.02Å; E179-L182 VanDerWaalsContact OE2-CD1 3.26Å; E179-L182 WeakPolarHBondContact OE2-CD1 3.45Å; F180-L182 PolarHBondContact O-N 3.35Å; L182-H184 PolarHBondContact O-N 2.84Å |
| 183 | T | 58.4 | Low | 81.1 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | trans | -70.6 | 123 | -174.7 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | L137 V177 E179 F180 | L137-T183 HydrophobicContact CD1-CG2 4.12Å; L137-T183 HydrophobicContact CD2-CG2 3.53Å; L137-T183 HydrophobicContact CG-CG2 4.48Å; V177-T183 HydrophobicContact CB-CG2 3.97Å; V177-T183 HydrophobicContact CG1-CG2 3.55Å; V177-T183 HydrophobicContact CG2-CG2 4.34Å; E179-T183 WeakPolarHBondContact O-CG2 3.4Å; E179-T183 PolarHBondContact O-N 2.92Å; F180-T183 PolarHBondContact O-N 2.84Å; F180-T183 VanDerWaalsContact O-N 3.15Å; F180-T183 PolarHBondContact O-OG1 3.36Å | ||
| 184 | H | 60.8 | Low | 80.7 | Confident | 126 Ų | 126 | 57 Ų | 57 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -69.3 | 155.6 | 143.4 | -56.9 | -80.5 | 0 | 0 | 0 | 109.5 | L182 M245 | L182-H184 PolarHBondContact O-N 2.84Å; H184-M245 HydrophobicContact CB-CE 4.12Å; H184-M245 HydrophobicContact CB-SD 3.87Å; H184-M245 WeakPolarHBondContact ND1-CE 3.21Å |
| 185 | P | 75 | Confident | 80.6 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.045 | 31% | 0.306 | C | S | . | . | -27.3 | 156.2 | -114 | 23.6 | -37.3 | 0 | 0 | 0 | 120.3 | A187 A228 | P185-A187 PolarHBondContact O-N 3.13Å; P185-A228 VanDerWaalsContact CB-O 3.23Å; P185-A228 WeakPolarHBondContact CB-O 3.44Å | |||
| 186 | L | 87 | Confident | 80.7 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | trans | -71.2 | -7.6 | 175.1 | -68.6 | 175.1 | 0 | 0 | 0 | 115 | I15 F180 R188 S229 C272 | I15-L186 HydrophobicContact CD1-CD2 4.16Å; F180-L186 HydrophobicContact CE2-CD2 4.1Å; L186-R188 VanDerWaalsContact C-N 3.31Å; L186-R188 HydrophobicContact CB-CG 4.14Å; L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 PolarHBondContact O-NH1 2.8Å; L186-R188 VanDerWaalsContact O-NH1 3.14Å; L186-S229 PolarHBondContact N-OG 3.3Å; L186-C272 HydrophobicContact CD1-CB 4.19Å | ||
| 187 | A | 91.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | trans | 51.1 | 37.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | S138 A151 F174 P185 M189 S229 | S138-A187 WeakPolarHBondContact CB-O 3.42Å; S138-A187 PolarHBondContact OG-O 3Å; A151-A187 HydrophobicContact CB-CB 3.8Å; F174-A187 HydrophobicContact CD1-CB 4.12Å; F174-A187 HydrophobicContact CE1-CB 3.7Å; F174-A187 HydrophobicContact CZ-CB 4.03Å; P185-A187 PolarHBondContact O-N 3.13Å; A187-M189 PolarHBondContact O-N 2.99Å; A187-M189 VanDerWaalsContact O-N 3.12Å; A187-S229 PolarHBondContact N-O 3.17Å | ||
| 188 | R | 93.3 | Very high | 81.5 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -72.8 | 106.3 | -178.9 | -55.3 | -75.7 | -175.8 | -116.2 | 20.8 | 110.8 | T97 H98 L137 S138 L186 P202 S229 V230 C231 | T97-R188 PolarHBondContact O-NH2 3.44Å; H98-R188 PolarHBondContact CD2-NE 2.79Å; H98-R188 PolarHBondContact CD2-NH2 3.35Å; H98-R188 WeakPolarHBondContact NE2-CD 3.43Å; L137-R188 PolarHBondContact O-NH1 3.29Å; S138-R188 WeakPolarHBondContact OG-CA 3.31Å; L186-R188 VanDerWaalsContact C-N 3.31Å; L186-R188 HydrophobicContact CB-CG 4.14Å; L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 PolarHBondContact O-NH1 2.8Å; L186-R188 VanDerWaalsContact O-NH1 3.14Å; R188-P202 WeakPolarHBondContact O-CG 3.35Å; R188-S229 PolarHBondContact N-O 3.27Å; R188-V230 HydrophobicContact CB-CB 4.18Å; R188-V230 HydrophobicContact CB-CG1 3.89Å; R188-V230 HydrophobicContact CB-CG2 4.16Å; R188-V230 HydrophobicContact CG-CB 4.39Å; R188-V230 HydrophobicContact CG-CG1 4.21Å; R188-V230 HydrophobicContact CG-CG2 3.84Å; R188-C231 PolarHBondContact O-N 2.84Å; R188-C231 VanDerWaalsContact O-N 3.08Å; R188-C231 PolarHBondContact O-SG 3.32Å; R188-C231 VanDerWaalsContact O-SG 3.35Å |
| 189 | M | 95.3 | Very high | 82.4 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | trans | -88.8 | 156 | -177.8 | -59.2 | 168.2 | -69.6 | 0 | 0 | 112 | S149 A151 L157 A187 L199 A200 V201 | S149-M189 WeakPolarHBondContact O-CE 3.42Å; A151-M189 HydrophobicContact CB-CE 3.77Å; A151-M189 HydrophobicContact CB-SD 4.16Å; L157-M189 HydrophobicContact CD1-CE 4.13Å; L157-M189 HydrophobicContact CD1-SD 3.34Å; L157-M189 WeakPolarHBondContact CD1-SD 3.43Å; L157-M189 HydrophobicContact CD2-SD 4.41Å; A187-M189 PolarHBondContact O-N 2.99Å; A187-M189 VanDerWaalsContact O-N 3.12Å; M189-L199 HydrophobicContact CB-CD1 4.11Å; M189-A200 WeakPolarHBondContact CA-O 3.31Å; M189-A200 WeakPolarHBondContact CB-O 3.06Å; M189-V201 HydrophobicContact CG-CG1 4.28Å; M189-V201 HydrophobicContact CG-CG2 4.36Å; M189-V201 HydrophobicContact SD-CG2 4.47Å | ||
| 190 | A | 95 | Very high | 83.5 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 128.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A200 Y233 | A190-A200 PolarHBondContact N-O 2.95Å; A190-A200 WeakPolarHBondContact O-CB 3.47Å; A190-A200 PolarHBondContact O-N 3.39Å; A190-Y233 HydrophobicContact CB-CD2 3.96Å; A190-Y233 HydrophobicContact CB-CE2 4.44Å; A190-Y233 WeakPolarHBondContact O-CE2 3.42Å |
| 191 | W | 95.1 | Very high | 84.3 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 8% | 0.076 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 144.9 | 168.7 | -79.3 | 99.9 | 0 | 0 | 0 | 111 | D142 F147 G196 L199 R212 W215 Y233 | D142-W191 HydrophobicContact CB-CD2 3.76Å; D142-W191 HydrophobicContact CB-CE3 4.05Å; D142-W191 HydrophobicContact CB-CG 4.13Å; D142-W191 HydrophobicContact CB-CH2 4.41Å; D142-W191 HydrophobicContact CB-CZ2 4.16Å; D142-W191 HydrophobicContact CB-CZ3 4.37Å; F147-W191 HydrophobicContact CB-CH2 4.38Å; F147-W191 HydrophobicContact CB-CZ2 4.09Å; W191-G196 VanDerWaalsContact CZ3-O 3.26Å; W191-G196 WeakPolarHBondContact CZ3-O 3.49Å; W191-L199 HydrophobicContact CD2-CB 4.25Å; W191-L199 HydrophobicContact CD2-CD1 3.93Å; W191-L199 HydrophobicContact CE3-CB 4.07Å; W191-L199 HydrophobicContact CG-CD1 4Å; W191-L199 HydrophobicContact CH2-CB 4.2Å; W191-L199 HydrophobicContact CZ2-CB 4.36Å; W191-L199 HydrophobicContact CZ2-CD1 4.47Å; W191-L199 HydrophobicContact CZ2-CD2 4.23Å; W191-L199 HydrophobicContact CZ3-CB 4.04Å; W191-R212 HydrophobicContact CH2-CG 4.31Å; W191-R212 HydrophobicContact CZ3-CB 4.18Å; W191-R212 HydrophobicContact CZ3-CG 4.05Å; W191-W215 AromaticContact CH2-CH2 3.6Å; W191-W215 HydrophobicContact CH2-CH2 3.6Å; W191-W215 AromaticContact CH2-CZ3 3.59Å; W191-W215 HydrophobicContact CH2-CZ3 3.59Å; W191-W215 HydrophobicContact CZ2-CH2 4.19Å; W191-W215 HydrophobicContact CZ2-CZ3 4.17Å; W191-Y233 WeakPolarHBondContact O-CD2 3.18Å |
| 192 | F | 92.7 | Very high | 85.7 | Confident | 37 Ų | 37 | 32.7 Ų | 32.7 | 16% | 0.162 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 129.8 | 172.5 | -167.8 | -89.3 | 0 | 0 | 0 | 110.2 | L195 G196 V198 Y233 G237 | F192-L195 HydrophobicContact CD1-CB 4.39Å; F192-G196 VanDerWaalsContact O-CA 3.22Å; F192-G196 WeakPolarHBondContact O-CA 3.29Å; F192-G196 PolarHBondContact O-N 2.89Å; F192-G196 VanDerWaalsContact O-N 3.08Å; F192-V198 HydrophobicContact CB-CG2 3.73Å; F192-V198 WeakPolarHBondContact CB-O 3.3Å; F192-V198 HydrophobicContact CD2-CG2 4.05Å; F192-V198 HydrophobicContact CG-CG2 4.17Å; F192-V198 PolarHBondContact N-O 3.06Å; F192-Y233 HydrophobicContact CB-CE2 4.35Å; F192-Y233 HydrophobicContact CD2-CD1 4.07Å; F192-Y233 AromaticContact CD2-CE1 3.74Å; F192-Y233 HydrophobicContact CD2-CE1 3.74Å; F192-Y233 HydrophobicContact CD2-CE2 4.47Å; F192-Y233 AromaticContact CD2-CZ 3.96Å; F192-Y233 HydrophobicContact CE2-CD1 4.44Å; F192-Y233 HydrophobicContact CE2-CE1 4.25Å; F192-G237 WeakPolarHBondContact CE2-O 3.47Å |
| 193 | P | 87.9 | Confident | 87.4 | Confident | 23 Ų | 23 | 27.3 Ų | 27.3 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 155.7 | -174.5 | 30.7 | -38.5 | 0 | 0 | 0 | 111.7 | L195 D234 G237 | P193-L195 PolarHBondContact O-N 2.78Å; P193-D234 WeakPolarHBondContact CG-O 3.19Å; P193-G237 VanDerWaalsContact CG-N 3.29Å |
| 194 | N | 80.5 | Confident | 88.9 | Confident | 86 Ų | 86 | 27.6 Ų | 27.6 | 46% | 0.46 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | -53.1 | 174.5 | -49.1 | -46.9 | 0 | 0 | 0 | 115.6 | F144 S235 | F144-N194 WeakPolarHBondContact CZ-O 3.37Å; N194-S235 PolarHBondContact ND2-O 3.09Å |
| 195 | L | 83.3 | Confident | 90.3 | Very high | 117 Ų | 117 | 27.5 Ų | 27.5 | 61% | 0.613 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -16.9 | -177.7 | -76.1 | 161.1 | 0 | 0 | 0 | 114.1 | F144 F192 P193 S197 | F144-L195 WeakPolarHBondContact CE2-O 3.48Å; F192-L195 HydrophobicContact CD1-CB 4.39Å; P193-L195 PolarHBondContact O-N 2.78Å; L195-S197 PolarHBondContact O-N 2.89Å |
| 196 | G | 83.6 | Confident | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 57.5 | 15 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P143 W191 F192 V198 R212 | P143-G196 VanDerWaalsContact CG-CA 3.48Å; W191-G196 VanDerWaalsContact CZ3-O 3.26Å; W191-G196 WeakPolarHBondContact CZ3-O 3.49Å; F192-G196 VanDerWaalsContact O-CA 3.22Å; F192-G196 WeakPolarHBondContact O-CA 3.29Å; F192-G196 PolarHBondContact O-N 2.89Å; F192-G196 VanDerWaalsContact O-N 3.08Å; G196-V198 VanDerWaalsContact C-N 3.27Å; G196-V198 PolarHBondContact O-N 3.05Å; G196-R212 WeakPolarHBondContact O-CD 3.37Å | ||
| 197 | S | 89.6 | Confident | 91.6 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 33% | 0.329 | 16% | 0.158 | S | C | . | . | trans | -67.1 | -27 | -165.1 | 49 | 0 | 0 | 0 | 0 | 113.4 | L195 R212 | L195-S197 PolarHBondContact O-N 2.89Å; S197-R212 VanDerWaalsContact O-CB 3.24Å; S197-R212 WeakPolarHBondContact O-CB 3.21Å; S197-R212 PolarHBondContact O-N 3.12Å | ||
| 198 | V | 93.9 | Very high | 91.8 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.4 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | F192 G196 I209 Y210 L218 | F192-V198 HydrophobicContact CB-CG2 3.73Å; F192-V198 WeakPolarHBondContact CB-O 3.3Å; F192-V198 HydrophobicContact CD2-CG2 4.05Å; F192-V198 HydrophobicContact CG-CG2 4.17Å; F192-V198 PolarHBondContact N-O 3.06Å; G196-V198 VanDerWaalsContact C-N 3.27Å; G196-V198 PolarHBondContact O-N 3.05Å; V198-I209 HydrophobicContact CB-CG2 3.63Å; V198-I209 HydrophobicContact CG1-CG2 4.03Å; V198-I209 HydrophobicContact CG2-CG2 3.76Å; V198-Y210 CarbonylContact C-O 3.59Å; V198-Y210 WeakPolarHBondContact CA-O 3.31Å; V198-Y210 WeakPolarHBondContact CB-O 3.45Å; V198-L218 HydrophobicContact CG1-CD1 3.53Å |
| 199 | L | 95.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.4 | 173.7 | 175.9 | 61.4 | 0 | 0 | 0 | 109.9 | L157 I159 M189 W191 V201 I209 Y210 | L157-L199 HydrophobicContact CD2-CD2 4.28Å; I159-L199 HydrophobicContact CD1-CD2 3.83Å; M189-L199 HydrophobicContact CB-CD1 4.11Å; W191-L199 HydrophobicContact CD2-CB 4.25Å; W191-L199 HydrophobicContact CD2-CD1 3.93Å; W191-L199 HydrophobicContact CE3-CB 4.07Å; W191-L199 HydrophobicContact CG-CD1 4Å; W191-L199 HydrophobicContact CH2-CB 4.2Å; W191-L199 HydrophobicContact CZ2-CB 4.36Å; W191-L199 HydrophobicContact CZ2-CD1 4.47Å; W191-L199 HydrophobicContact CZ2-CD2 4.23Å; W191-L199 HydrophobicContact CZ3-CB 4.04Å; L199-V201 HydrophobicContact CD2-CG2 4.1Å; L199-V201 HydrophobicContact CG-CG2 3.86Å; L199-I209 WeakPolarHBondContact O-CA 3.2Å; L199-Y210 PolarHBondContact N-O 3.02Å; L199-Y210 PolarHBondContact O-N 2.96Å |
| 200 | A | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | M189 A190 V207 Q208 I209 Y233 L240 | M189-A200 WeakPolarHBondContact CA-O 3.31Å; M189-A200 WeakPolarHBondContact CB-O 3.06Å; A190-A200 PolarHBondContact N-O 2.95Å; A190-A200 WeakPolarHBondContact O-CB 3.47Å; A190-A200 PolarHBondContact O-N 3.39Å; A200-V207 HydrophobicContact CB-CG1 4.08Å; A200-Q208 WeakPolarHBondContact CA-O 3.13Å; A200-I209 HydrophobicContact CB-CD1 3.63Å; A200-Y233 HydrophobicContact CB-CE2 3.7Å; A200-L240 HydrophobicContact CB-CD1 4.08Å; A200-L240 HydrophobicContact CB-CD2 4.32Å |
| 201 | V | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 114.8 | -175.3 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | L157 I173 F174 M189 L199 A203 V207 Q208 Y210 | L157-V201 HydrophobicContact CD2-CG1 4.25Å; L157-V201 HydrophobicContact CD2-CG2 3.73Å; I173-V201 HydrophobicContact CD1-CG1 4.36Å; I173-V201 HydrophobicContact CG2-CG1 4.2Å; F174-V201 HydrophobicContact CE1-CG1 3.91Å; F174-V201 HydrophobicContact CZ-CG1 3.62Å; M189-V201 HydrophobicContact CG-CG1 4.28Å; M189-V201 HydrophobicContact CG-CG2 4.36Å; M189-V201 HydrophobicContact SD-CG2 4.47Å; L199-V201 HydrophobicContact CD2-CG2 4.1Å; L199-V201 HydrophobicContact CG-CG2 3.86Å; V201-A203 PolarHBondContact O-N 2.85Å; V201-V207 CarbonylContact O-C 3.57Å; V201-V207 WeakPolarHBondContact O-CA 3.43Å; V201-Q208 HydrophobicContact CB-CB 4.49Å; V201-Q208 PolarHBondContact N-O 2.92Å; V201-Q208 PolarHBondContact O-N 3.44Å; V201-Y210 HydrophobicContact CB-CD2 4.46Å; V201-Y210 HydrophobicContact CB-CE2 4.42Å; V201-Y210 HydrophobicContact CG2-CD2 3.86Å; V201-Y210 HydrophobicContact CG2-CE2 4.2Å |
| 202 | P | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 113.7 | 175.6 | 30.4 | -30.8 | 0 | 0 | 0 | 109.6 | R188 A228 | R188-P202 WeakPolarHBondContact O-CG 3.35Å; P202-A228 HydrophobicContact CB-CB 3.72Å |
| 203 | A | 90.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 7% | 0.066 | 19% | 0.19 | C | C | . | . | trans | -135.6 | 89.2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I173 V201 K205 Q206 Q208 | I173-A203 HydrophobicContact CG2-CB 3.41Å; I173-A203 VanDerWaalsContact CG2-CB 3.41Å; V201-A203 PolarHBondContact O-N 2.85Å; A203-K205 PolarHBondContact O-N 3.43Å; A203-Q206 CarbonylContact C-O 3.45Å; A203-Q206 PolarHBondContact N-O 3.34Å; A203-Q206 WeakPolarHBondContact O-CG 3.35Å; A203-Q208 HydrophobicContact CB-CG 4.04Å | ||
| 204 | G | 89.3 | Confident | 91.3 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 64 | -133.8 | -174 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q206 N227 A228 | G204-Q206 PolarHBondContact O-N 3.04Å; G204-Q206 VanDerWaalsContact O-N 3.1Å; G204-N227 CarbonylContact O-C 3.52Å; G204-N227 WeakPolarHBondContact O-CA 3.47Å; G204-A228 PolarHBondContact O-N 3.25Å |
| 205 | K | 91.7 | Very high | 91.8 | Very high | 124 Ų | 124 | 37.3 Ų | 37.3 | 54% | 0.539 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -81.8 | 30.3 | -179.1 | -61.3 | -164.3 | 178.1 | -159.9 | 0 | 114.5 | A203 V223 D225 | A203-K205 PolarHBondContact O-N 3.43Å; K205-V223 PolarHBondContact O-N 3.45Å; K205-D225 PolarHBondContact NZ-O 3.45Å; K205-D225 VanDerWaalsContact NZ-O 3.14Å |
| 206 | Q | 93.9 | Very high | 92.1 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 28% | 0.276 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 157.8 | -179.9 | 56 | -177.6 | -6.7 | 0 | 0 | 111.7 | A203 G204 Q208 S220 Y221 | A203-Q206 CarbonylContact C-O 3.45Å; A203-Q206 PolarHBondContact N-O 3.34Å; A203-Q206 WeakPolarHBondContact O-CG 3.35Å; G204-Q206 PolarHBondContact O-N 3.04Å; G204-Q206 VanDerWaalsContact O-N 3.1Å; Q206-Q208 HydrophobicContact CG-CG 4.17Å; Q206-S220 PolarHBondContact OE1-OG 3.22Å; Q206-S220 VanDerWaalsContact OE1-OG 3.08Å; Q206-Y221 CarbonylContact C-O 3.55Å; Q206-Y221 WeakPolarHBondContact CA-O 3.42Å; Q206-Y221 WeakPolarHBondContact CB-O 3.18Å |
| 207 | V | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 111.6 | 164.7 | -174 | 0 | 0 | 0 | 0 | 107.7 | A200 V201 I209 S220 Y221 A228 C231 L240 A242 W252 | A200-V207 HydrophobicContact CB-CG1 4.08Å; V201-V207 CarbonylContact O-C 3.57Å; V201-V207 WeakPolarHBondContact O-CA 3.43Å; V207-I209 HydrophobicContact CG1-CD1 4.2Å; V207-S220 CarbonylContact O-C 3.59Å; V207-S220 WeakPolarHBondContact O-CA 3.26Å; V207-Y221 PolarHBondContact N-O 2.94Å; V207-Y221 PolarHBondContact O-N 3.43Å; V207-A228 HydrophobicContact CG2-CB 4.18Å; V207-C231 HydrophobicContact CG1-CB 4.3Å; V207-L240 HydrophobicContact CG1-CD2 4.17Å; V207-A242 HydrophobicContact CG2-CB 3.64Å; V207-W252 HydrophobicContact CG2-CH2 4.32Å; V207-W252 HydrophobicContact CG2-CZ3 4.38Å |
| 208 | Q | 95.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 134.3 | 180 | -73.8 | 176.9 | -14.9 | 0 | 0 | 110.1 | A200 V201 A203 Q206 Y210 L217 | A200-Q208 WeakPolarHBondContact CA-O 3.13Å; V201-Q208 HydrophobicContact CB-CB 4.49Å; V201-Q208 PolarHBondContact N-O 2.92Å; V201-Q208 PolarHBondContact O-N 3.44Å; A203-Q208 HydrophobicContact CB-CG 4.04Å; Q206-Q208 HydrophobicContact CG-CG 4.17Å; Q208-Y210 HydrophobicContact CB-CD2 4.26Å; Q208-Y210 HydrophobicContact CB-CE2 3.65Å; Q208-Y210 PolarHBondContact OE1-OH 3.2Å; Q208-L217 HydrophobicContact CB-CD1 3.59Å; Q208-L217 HydrophobicContact CG-CD1 3.81Å |
| 209 | I | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 114.5 | 179.5 | -51.7 | -54.2 | 0 | 0 | 0 | 108.7 | V198 L199 A200 V207 L218 K219 Y221 L240 | V198-I209 HydrophobicContact CB-CG2 3.63Å; V198-I209 HydrophobicContact CG1-CG2 4.03Å; V198-I209 HydrophobicContact CG2-CG2 3.76Å; L199-I209 WeakPolarHBondContact O-CA 3.2Å; A200-I209 HydrophobicContact CB-CD1 3.63Å; V207-I209 HydrophobicContact CG1-CD1 4.2Å; I209-L218 PolarHBondContact O-N 3.38Å; I209-K219 HydrophobicContact CB-CG 3.77Å; I209-K219 WeakPolarHBondContact CB-O 3.44Å; I209-K219 HydrophobicContact CG1-CG 3.82Å; I209-K219 HydrophobicContact CG2-CG 4.3Å; I209-K219 PolarHBondContact N-O 2.98Å; I209-Y221 HydrophobicContact CD1-CD2 4.04Å; I209-Y221 HydrophobicContact CD1-CE2 3.79Å; I209-Y221 HydrophobicContact CG1-CD2 3.98Å; I209-Y221 HydrophobicContact CG1-CE2 3.62Å; I209-L240 HydrophobicContact CD1-CD2 3.87Å |
| 210 | Y | 94.9 | Very high | 92.5 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 141.1 | -179.6 | -73.3 | -87.1 | 0 | 0 | 0 | 111.8 | L171 I173 V198 L199 V201 Q208 L216 L217 | L171-Y210 HydrophobicContact CD1-CD1 3.93Å; L171-Y210 HydrophobicContact CD1-CE1 3.69Å; I173-Y210 HydrophobicContact CD1-CE2 3.69Å; I173-Y210 WeakPolarHBondContact CD1-OH 3.24Å; V198-Y210 CarbonylContact C-O 3.59Å; V198-Y210 WeakPolarHBondContact CA-O 3.31Å; V198-Y210 WeakPolarHBondContact CB-O 3.45Å; L199-Y210 PolarHBondContact N-O 3.02Å; L199-Y210 PolarHBondContact O-N 2.96Å; V201-Y210 HydrophobicContact CB-CD2 4.46Å; V201-Y210 HydrophobicContact CB-CE2 4.42Å; V201-Y210 HydrophobicContact CG2-CD2 3.86Å; V201-Y210 HydrophobicContact CG2-CE2 4.2Å; Q208-Y210 HydrophobicContact CB-CD2 4.26Å; Q208-Y210 HydrophobicContact CB-CE2 3.65Å; Q208-Y210 PolarHBondContact OE1-OH 3.2Å; Y210-L216 WeakPolarHBondContact CA-O 3.27Å; Y210-L217 HydrophobicContact CD1-CB 4.38Å; Y210-L217 HydrophobicContact CE1-CB 3.96Å; Y210-L217 HydrophobicContact CE1-CD1 4.41Å; Y210-L217 HydrophobicContact CE2-CD1 4.25Å |
| 211 | D | 92.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 141.7 | 170.3 | -176.3 | 68.8 | 0 | 0 | 0 | 112 | N213 E214 W215 L216 L218 | D211-N213 WeakPolarHBondContact OD2-CA 3.47Å; D211-N213 WeakPolarHBondContact OD2-CB 3.46Å; D211-N213 PolarHBondContact OD2-N 3.15Å; D211-E214 PolarHBondContact OD2-N 3.35Å; D211-W215 VanDerWaalsContact O-CA 3.25Å; D211-W215 WeakPolarHBondContact O-CA 3.23Å; D211-W215 PolarHBondContact O-N 3.47Å; D211-L216 PolarHBondContact N-O 3.13Å; D211-L218 HydrophobicContact CB-CD1 3.88Å; D211-L218 HydrophobicContact CB-CD2 4.12Å; D211-L218 HydrophobicContact CB-CG 3.96Å |
| 212 | R | 90 | Very high | 92.2 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 15% | 0.151 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33.1 | 178.9 | -178 | -167.2 | -175.7 | 171.6 | 1.7 | 114.1 | D142 F144 F147 W191 G196 S197 W215 | D142-R212 IonicContact OD2-CZ 3.03Å; D142-R212 IonicContact OD2-NH2 2.83Å; D142-R212 PolarHBondContact OD2-NH2 3.38Å; F144-R212 VanDerWaalsContact CE2-NH1 3.33Å; F147-R212 HydrophobicContact CD2-CG 3.94Å; F147-R212 HydrophobicContact CE2-CG 3.84Å; W191-R212 HydrophobicContact CH2-CG 4.31Å; W191-R212 HydrophobicContact CZ3-CB 4.18Å; W191-R212 HydrophobicContact CZ3-CG 4.05Å; G196-R212 WeakPolarHBondContact O-CD 3.37Å; S197-R212 VanDerWaalsContact O-CB 3.24Å; S197-R212 WeakPolarHBondContact O-CB 3.21Å; S197-R212 PolarHBondContact O-N 3.12Å; R212-W215 VanDerWaalsContact O-CH2 3.3Å; R212-W215 WeakPolarHBondContact O-CH2 3.26Å; R212-W215 WeakPolarHBondContact O-CZ2 3.07Å |
| 213 | N | 87.4 | Confident | 91.9 | Very high | 121 Ų | 121 | 55.4 Ų | 55.4 | 65% | 0.647 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -46 | -168.6 | -59.6 | -38.6 | 0 | 0 | 0 | 111.3 | D211 | D211-N213 WeakPolarHBondContact OD2-CA 3.47Å; D211-N213 WeakPolarHBondContact OD2-CB 3.46Å; D211-N213 PolarHBondContact OD2-N 3.15Å |
| 214 | E | 88.4 | Confident | 91.1 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -19.9 | -177.2 | -56.2 | -171 | 167.4 | 0 | 0 | 112.6 | D211 L216 | D211-E214 PolarHBondContact OD2-N 3.35Å; E214-L216 HydrophobicContact CB-CB 4.45Å; E214-L216 HydrophobicContact CB-CD1 4.2Å; E214-L216 HydrophobicContact CB-CG 3.9Å; E214-L216 PolarHBondContact O-N 3Å; E214-L216 WeakPolarHBondContact OE2-CD1 3.34Å |
| 215 | W | 89.8 | Confident | 90.3 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | trans | 56.1 | 30.7 | -173.6 | -47.6 | 96.5 | 0 | 0 | 0 | 113 | F147 I159 K169 W191 D211 R212 | F147-W215 HydrophobicContact CB-CH2 4.35Å; F147-W215 HydrophobicContact CD1-CZ2 4.36Å; F147-W215 AromaticContact CD2-CH2 3.93Å; F147-W215 HydrophobicContact CD2-CH2 3.93Å; F147-W215 HydrophobicContact CD2-CZ2 4.05Å; F147-W215 HydrophobicContact CE1-CZ2 4.41Å; F147-W215 HydrophobicContact CE2-CH2 4.38Å; F147-W215 HydrophobicContact CE2-CZ2 4.09Å; F147-W215 HydrophobicContact CG-CH2 4.06Å; F147-W215 HydrophobicContact CG-CZ2 4.2Å; F147-W215 HydrophobicContact CZ-CZ2 4.28Å; I159-W215 HydrophobicContact CB-CE3 4.49Å; I159-W215 HydrophobicContact CB-CH2 4.37Å; I159-W215 HydrophobicContact CB-CZ3 4.32Å; I159-W215 HydrophobicContact CD1-CE3 4.19Å; I159-W215 HydrophobicContact CD1-CZ3 3.9Å; I159-W215 HydrophobicContact CG1-CD2 4.31Å; I159-W215 HydrophobicContact CG1-CE3 3.81Å; I159-W215 HydrophobicContact CG1-CH2 4.41Å; I159-W215 HydrophobicContact CG1-CZ3 3.86Å; I159-W215 HydrophobicContact CG2-CD2 4.26Å; I159-W215 HydrophobicContact CG2-CE3 4.07Å; I159-W215 HydrophobicContact CG2-CH2 3.2Å; I159-W215 HydrophobicContact CG2-CZ2 3.43Å; I159-W215 VanDerWaalsContact CG2-CZ2 3.43Å; I159-W215 HydrophobicContact CG2-CZ3 3.55Å; K169-W215 HydrophobicContact CB-CB 4.49Å; K169-W215 HydrophobicContact CB-CG 4.19Å; K169-W215 HydrophobicContact CD-CB 4.01Å; K169-W215 HydrophobicContact CD-CG 4.31Å; K169-W215 HydrophobicContact CG-CB 3.86Å; K169-W215 HydrophobicContact CG-CG 4.08Å; W191-W215 AromaticContact CH2-CH2 3.6Å; W191-W215 HydrophobicContact CH2-CH2 3.6Å; W191-W215 AromaticContact CH2-CZ3 3.59Å; W191-W215 HydrophobicContact CH2-CZ3 3.59Å; W191-W215 HydrophobicContact CZ2-CH2 4.19Å; W191-W215 HydrophobicContact CZ2-CZ3 4.17Å; D211-W215 VanDerWaalsContact O-CA 3.25Å; D211-W215 WeakPolarHBondContact O-CA 3.23Å; D211-W215 PolarHBondContact O-N 3.47Å; R212-W215 VanDerWaalsContact O-CH2 3.3Å; R212-W215 WeakPolarHBondContact O-CH2 3.26Å; R212-W215 WeakPolarHBondContact O-CZ2 3.07Å | ||
| 216 | L | 91.2 | Very high | 90.1 | Very high | 95 Ų | 95 | 58.8 Ų | 58.8 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | trans | -88.6 | 149.1 | 172.8 | -62.7 | -176 | 0 | 0 | 0 | 110.6 | Y210 D211 E214 L218 | Y210-L216 WeakPolarHBondContact CA-O 3.27Å; D211-L216 PolarHBondContact N-O 3.13Å; E214-L216 HydrophobicContact CB-CB 4.45Å; E214-L216 HydrophobicContact CB-CD1 4.2Å; E214-L216 HydrophobicContact CB-CG 3.9Å; E214-L216 PolarHBondContact O-N 3Å; E214-L216 WeakPolarHBondContact OE2-CD1 3.34Å; L216-L218 PolarHBondContact O-N 2.8Å | ||
| 217 | L | 92.4 | Very high | 89.9 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 110.3 | 173.3 | 179 | 68 | 0 | 0 | 0 | 109.1 | Q208 Y210 K219 | Q208-L217 HydrophobicContact CB-CD1 3.59Å; Q208-L217 HydrophobicContact CG-CD1 3.81Å; Y210-L217 HydrophobicContact CD1-CB 4.38Å; Y210-L217 HydrophobicContact CE1-CB 3.96Å; Y210-L217 HydrophobicContact CE1-CD1 4.41Å; Y210-L217 HydrophobicContact CE2-CD1 4.25Å; L217-K219 WeakPolarHBondContact CD1-O 3.25Å |
| 218 | L | 92.3 | Very high | 89.7 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -47.2 | 178.5 | -65.6 | 174.7 | 0 | 0 | 0 | 111.7 | V198 I209 D211 L216 | V198-L218 HydrophobicContact CG1-CD1 3.53Å; I209-L218 PolarHBondContact O-N 3.38Å; D211-L218 HydrophobicContact CB-CD1 3.88Å; D211-L218 HydrophobicContact CB-CD2 4.12Å; D211-L218 HydrophobicContact CB-CG 3.96Å; L216-L218 PolarHBondContact O-N 2.8Å |
| 219 | K | 92.4 | Very high | 89.6 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 29% | 0.291 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 161.3 | -178.6 | 53.6 | -178 | 160.4 | -176.6 | 0 | 111.8 | I209 L217 Y221 T254 D257 | I209-K219 HydrophobicContact CB-CG 3.77Å; I209-K219 WeakPolarHBondContact CB-O 3.44Å; I209-K219 HydrophobicContact CG1-CG 3.82Å; I209-K219 HydrophobicContact CG2-CG 4.3Å; I209-K219 PolarHBondContact N-O 2.98Å; L217-K219 WeakPolarHBondContact CD1-O 3.25Å; K219-Y221 PolarHBondContact NZ-OH 3.4Å; K219-T254 PolarHBondContact NZ-O 3.11Å; K219-D257 WeakPolarHBondContact CD-OD2 3.02Å; K219-D257 IonicContact NZ-OD1 2.7Å; K219-D257 PolarHBondContact NZ-OD1 3.2Å; K219-D257 IonicContact NZ-OD2 3.21Å; K219-D257 PolarHBondContact NZ-OD2 3.01Å |
| 220 | S | 92.8 | Very high | 89.5 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 119.8 | 173.2 | -69 | 0 | 0 | 0 | 0 | 110.3 | Q206 V207 K222 | Q206-S220 PolarHBondContact OE1-OG 3.22Å; Q206-S220 VanDerWaalsContact OE1-OG 3.08Å; V207-S220 CarbonylContact O-C 3.59Å; V207-S220 WeakPolarHBondContact O-CA 3.26Å; S220-K222 PolarHBondContact O-N 2.97Å |
| 221 | Y | 93.2 | Very high | 89.5 | Confident | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.2 | 167.8 | -57.8 | -73.2 | 0 | 0 | 0 | 109 | Q206 V207 I209 K219 L240 W252 D257 | Q206-Y221 CarbonylContact C-O 3.55Å; Q206-Y221 WeakPolarHBondContact CA-O 3.42Å; Q206-Y221 WeakPolarHBondContact CB-O 3.18Å; V207-Y221 PolarHBondContact N-O 2.94Å; V207-Y221 PolarHBondContact O-N 3.43Å; I209-Y221 HydrophobicContact CD1-CD2 4.04Å; I209-Y221 HydrophobicContact CD1-CE2 3.79Å; I209-Y221 HydrophobicContact CG1-CD2 3.98Å; I209-Y221 HydrophobicContact CG1-CE2 3.62Å; K219-Y221 PolarHBondContact NZ-OH 3.4Å; Y221-L240 HydrophobicContact CD2-CD2 3.68Å; Y221-L240 HydrophobicContact CE2-CD2 3.49Å; Y221-L240 VanDerWaalsContact CE2-CD2 3.49Å; Y221-W252 HydrophobicContact CD1-CB 4.25Å; Y221-W252 AromaticContact CD1-CD1 3.61Å; Y221-W252 AromaticContact CD1-CD2 3.98Å; Y221-W252 HydrophobicContact CD1-CD2 3.98Å; Y221-W252 AromaticContact CD1-CG 3.7Å; Y221-W252 HydrophobicContact CD1-CG 3.7Å; Y221-W252 AromaticContact CD1-NE1 3.86Å; Y221-W252 HydrophobicContact CE1-CB 4.06Å; Y221-W252 HydrophobicContact CE1-CG 4.03Å; Y221-W252 AromaticContact CG-CD2 3.91Å; Y221-W252 HydrophobicContact CG-CD2 3.91Å; Y221-W252 HydrophobicContact CG-CE3 4.29Å; Y221-W252 HydrophobicContact CG-CG 4.12Å; Y221-W252 HydrophobicContact CG-CZ2 4.48Å; Y221-D257 HydrophobicContact CE1-CB 4.14Å; Y221-D257 PolarHBondContact OH-OD1 3.11Å |
| 222 | K | 92.2 | Very high | 89.6 | Confident | 165 Ų | 165 | 56.3 Ų | 56.3 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 136.8 | 177 | -69.5 | -177.1 | -179.4 | 176.9 | 0 | 110.1 | S220 | S220-K222 PolarHBondContact O-N 2.97Å |
| 223 | V | 89.1 | Confident | 89.7 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | trans | -113.7 | 113.7 | 167.9 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | K205 C244 F250 W252 | K205-V223 PolarHBondContact O-N 3.45Å; V223-C244 HydrophobicContact CG1-CB 4.48Å; V223-C244 WeakPolarHBondContact CG1-SG 3.45Å; V223-F250 HydrophobicContact CB-CE2 4.4Å; V223-F250 HydrophobicContact CG1-CD2 3.59Å; V223-F250 HydrophobicContact CG1-CE1 4.33Å; V223-F250 HydrophobicContact CG1-CE2 3.2Å; V223-F250 HydrophobicContact CG1-CG 4.34Å; V223-F250 HydrophobicContact CG1-CZ 3.62Å; V223-F250 HydrophobicContact CG2-CD2 4.33Å; V223-F250 HydrophobicContact CG2-CG 4.45Å; V223-W252 HydrophobicContact CG2-CH2 3.68Å; V223-W252 HydrophobicContact CG2-CZ2 4.03Å | ||
| 224 | E | 73.9 | Confident | 89.9 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -74.6 | 155.1 | 172.1 | -62.3 | 177.1 | 164.8 | 0 | 0 | 109.7 | S226 R262 | E224-S226 PolarHBondContact O-N 2.99Å; E224-R262 IonicContact OE2-NH1 3.72Å; E224-R262 PolarHBondContact OE2-NH1 2.86Å; E224-R262 VanDerWaalsContact OE2-NH1 3.14Å |
| 225 | D | 71.8 | Confident | 89.8 | Confident | 80 Ų | 80 | 47 Ų | 47 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 87.2 | -74.4 | -174.5 | -39.2 | -27.6 | 0 | 0 | 0 | 115 | K205 N246 S248 R262 | K205-D225 PolarHBondContact NZ-O 3.45Å; K205-D225 VanDerWaalsContact NZ-O 3.14Å; D225-N246 WeakPolarHBondContact CB-ND2 3.38Å; D225-S248 PolarHBondContact OD2-OG 2.76Å; D225-R262 IonicContact OD1-NH2 2.79Å; D225-R262 PolarHBondContact OD1-NH2 3.41Å; D225-R262 IonicContact OD2-CZ 3.88Å; D225-R262 IonicContact OD2-NH2 3.18Å; D225-R262 PolarHBondContact OD2-NH2 3.15Å |
| 226 | S | 87.2 | Confident | 89.6 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -140 | 174.4 | -162.2 | -165.6 | 0 | 0 | 0 | 0 | 114 | E224 N246 | E224-S226 PolarHBondContact O-N 2.99Å; S226-N246 VanDerWaalsContact CB-CG 3.47Å; S226-N246 WeakPolarHBondContact CB-OD1 3.48Å |
| 227 | N | 90.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | trans | -70.4 | 130.4 | 179.4 | -71.5 | -18.1 | 0 | 0 | 0 | 110.9 | G204 C244 M245 | G204-N227 CarbonylContact O-C 3.52Å; G204-N227 WeakPolarHBondContact O-CA 3.47Å; N227-C244 CarbonylContact O-C 3.58Å; N227-C244 WeakPolarHBondContact O-CA 3.45Å; N227-C244 WeakPolarHBondContact O-CB 3.41Å; N227-M245 HydrophobicContact CB-CG 4.32Å; N227-M245 HydrophobicContact CB-SD 4.31Å; N227-M245 PolarHBondContact O-N 3.07Å | ||
| 228 | A | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 134 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P185 P202 G204 V207 C244 | P185-A228 VanDerWaalsContact CB-O 3.23Å; P185-A228 WeakPolarHBondContact CB-O 3.44Å; P202-A228 HydrophobicContact CB-CB 3.72Å; G204-A228 PolarHBondContact O-N 3.25Å; V207-A228 HydrophobicContact CG2-CB 4.18Å; A228-C244 VanDerWaalsContact CA-SG 3.51Å |
| 229 | S | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -37.5 | -175.3 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | L186 A187 R188 A243 | L186-S229 PolarHBondContact N-OG 3.3Å; A187-S229 PolarHBondContact N-O 3.17Å; R188-S229 PolarHBondContact N-O 3.27Å; S229-A243 PolarHBondContact N-O 3.31Å |
| 230 | V | 93.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137.8 | -175.3 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | R188 A242 A243 L274 | R188-V230 HydrophobicContact CB-CB 4.18Å; R188-V230 HydrophobicContact CB-CG1 3.89Å; R188-V230 HydrophobicContact CB-CG2 4.16Å; R188-V230 HydrophobicContact CG-CB 4.39Å; R188-V230 HydrophobicContact CG-CG1 4.21Å; R188-V230 HydrophobicContact CG-CG2 3.84Å; V230-A242 CarbonylContact O-C 3.59Å; V230-A242 WeakPolarHBondContact O-CA 3.13Å; V230-A243 PolarHBondContact N-O 3.01Å; V230-A243 PolarHBondContact O-N 2.72Å; V230-L274 HydrophobicContact CG1-CB 3.97Å; V230-L274 HydrophobicContact CG1-CD1 4.38Å; V230-L274 HydrophobicContact CG1-CG 4.1Å |
| 231 | C | 94.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.8 | 167.1 | 68 | 0 | 0 | 0 | 0 | 112 | R188 V207 L240 A241 A242 | R188-C231 PolarHBondContact O-N 2.84Å; R188-C231 VanDerWaalsContact O-N 3.08Å; R188-C231 PolarHBondContact O-SG 3.32Å; R188-C231 VanDerWaalsContact O-SG 3.35Å; V207-C231 HydrophobicContact CG1-CB 4.3Å; C231-L240 HydrophobicContact CB-CD1 4.24Å; C231-A241 CarbonylContact C-O 3.53Å; C231-A241 WeakPolarHBondContact CA-O 3.49Å; C231-A241 WeakPolarHBondContact CB-O 3.44Å; C231-A242 HydrophobicContact CB-CB 4Å |
| 232 | C | 94.5 | Very high | 89.4 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 141.4 | 174.1 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | A241 L274 W276 | C232-A241 PolarHBondContact N-O 3.04Å; C232-A241 PolarHBondContact O-N 3.22Å; C232-L274 VanDerWaalsContact SG-CB 3.55Å; C232-L274 PolarHBondContact SG-O 2.88Å; C232-W276 PolarHBondContact O-NE1 3.21Å |
| 233 | Y | 93.8 | Very high | 89.5 | Confident | 24 Ų | 24 | 26.5 Ų | 26.5 | 9% | 0.094 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 154.9 | 168.2 | -70.5 | -80 | 0 | 0 | 0 | 110.6 | A190 W191 F192 A200 R239 L240 T254 W276 | A190-Y233 HydrophobicContact CB-CD2 3.96Å; A190-Y233 HydrophobicContact CB-CE2 4.44Å; A190-Y233 WeakPolarHBondContact O-CE2 3.42Å; W191-Y233 WeakPolarHBondContact O-CD2 3.18Å; F192-Y233 HydrophobicContact CB-CE2 4.35Å; F192-Y233 HydrophobicContact CD2-CD1 4.07Å; F192-Y233 AromaticContact CD2-CE1 3.74Å; F192-Y233 HydrophobicContact CD2-CE1 3.74Å; F192-Y233 HydrophobicContact CD2-CE2 4.47Å; F192-Y233 AromaticContact CD2-CZ 3.96Å; F192-Y233 HydrophobicContact CE2-CD1 4.44Å; F192-Y233 HydrophobicContact CE2-CE1 4.25Å; A200-Y233 HydrophobicContact CB-CE2 3.7Å; Y233-R239 VanDerWaalsContact CA-O 3.29Å; Y233-R239 WeakPolarHBondContact CA-O 3.49Å; Y233-R239 WeakPolarHBondContact CD1-O 3.49Å; Y233-L240 HydrophobicContact CD1-CB 3.99Å; Y233-L240 HydrophobicContact CD1-CD1 3.99Å; Y233-L240 HydrophobicContact CD2-CD1 4.17Å; Y233-L240 HydrophobicContact CE1-CB 3.84Å; Y233-L240 HydrophobicContact CE1-CD1 3.9Å; Y233-L240 HydrophobicContact CE1-CD2 4.3Å; Y233-L240 HydrophobicContact CE1-CG 4.23Å; Y233-L240 HydrophobicContact CE2-CD1 4.1Å; Y233-L240 HydrophobicContact CG-CD1 4.12Å; Y233-T254 HydrophobicContact CD1-CG2 4.01Å; Y233-T254 HydrophobicContact CE1-CG2 3.7Å; Y233-W276 VanDerWaalsContact O-CD1 3.25Å |
| 234 | D | 91.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.059 | 15% | 0.152 | C | C | . | . | trans | -71.3 | 175.3 | 165.2 | 78.8 | -63.8 | 0 | 0 | 0 | 111.2 | P193 T236 G237 A238 R239 W276 | P193-D234 WeakPolarHBondContact CG-O 3.19Å; D234-T236 VanDerWaalsContact C-N 3.26Å; D234-T236 PolarHBondContact O-N 3.23Å; D234-T236 WeakPolarHBondContact OD2-CB 3.32Å; D234-T236 PolarHBondContact OD2-N 3.24Å; D234-T236 PolarHBondContact OD2-OG1 2.95Å; D234-G237 PolarHBondContact O-N 3.02Å; D234-G237 VanDerWaalsContact OD1-CA 3.25Å; D234-G237 WeakPolarHBondContact OD1-CA 3.04Å; D234-G237 PolarHBondContact OD1-N 3.02Å; D234-A238 PolarHBondContact OD1-N 3.07Å; D234-R239 HydrophobicContact CB-CB 4.25Å; D234-R239 PolarHBondContact N-O 2.71Å; D234-R239 VanDerWaalsContact N-O 3.08Å; D234-R239 PolarHBondContact OD1-N 3.17Å; D234-W276 HydrophobicContact CB-CB 4.18Å; D234-W276 HydrophobicContact CB-CD2 3.98Å; D234-W276 HydrophobicContact CB-CG 3.81Å | ||
| 235 | S | 86.7 | Confident | 90.3 | Very high | 59 Ų | 59 | 22.5 Ų | 22.5 | 41% | 0.413 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -66.5 | -23.8 | -177.9 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | N194 | N194-S235 PolarHBondContact ND2-O 3.09Š|
| 236 | T | 85.8 | Confident | 91 | Very high | 81 Ų | 81 | 20.9 Ų | 20.9 | 50% | 0.497 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -90.7 | -25.9 | 177.1 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | D234 A238 | D234-T236 VanDerWaalsContact C-N 3.26Å; D234-T236 PolarHBondContact O-N 3.23Å; D234-T236 WeakPolarHBondContact OD2-CB 3.32Å; D234-T236 PolarHBondContact OD2-N 3.24Å; D234-T236 PolarHBondContact OD2-OG1 2.95Å; T236-A238 VanDerWaalsContact OG1-CB 3.31Å; T236-A238 WeakPolarHBondContact OG1-CB 3.37Å; T236-A238 PolarHBondContact OG1-N 2.98Å |
| 237 | G | 88.4 | Confident | 91.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 87 | 1.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F192 P193 D234 R239 T254 | F192-G237 WeakPolarHBondContact CE2-O 3.47Å; P193-G237 VanDerWaalsContact CG-N 3.29Å; D234-G237 PolarHBondContact O-N 3.02Å; D234-G237 VanDerWaalsContact OD1-CA 3.25Å; D234-G237 WeakPolarHBondContact OD1-CA 3.04Å; D234-G237 PolarHBondContact OD1-N 3.02Å; G237-R239 PolarHBondContact O-N 2.77Å; G237-T254 WeakPolarHBondContact O-CB 3.43Å; G237-T254 VanDerWaalsContact O-CG2 3.29Å; G237-T254 WeakPolarHBondContact O-CG2 3.48Å; G237-T254 PolarHBondContact O-OG1 3.43Å |
| 238 | A | 89.3 | Confident | 91.1 | Very high | 46 Ų | 46 | 17 Ų | 17 | 38% | 0.38 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -65.6 | -19.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D234 T236 E253 T254 | D234-A238 PolarHBondContact OD1-N 3.07Å; T236-A238 VanDerWaalsContact OG1-CB 3.31Å; T236-A238 WeakPolarHBondContact OG1-CB 3.37Å; T236-A238 PolarHBondContact OG1-N 2.98Å; A238-E253 WeakPolarHBondContact O-CA 3.21Å; A238-T254 VanDerWaalsContact C-OG1 3.25Å; A238-T254 WeakPolarHBondContact CA-OG1 3.33Å; A238-T254 PolarHBondContact O-N 3.16Å; A238-T254 PolarHBondContact O-OG1 3.13Å |
| 239 | R | 90.5 | Very high | 91.1 | Very high | 20 Ų | 20 | 17 Ų | 17 | 8% | 0.075 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.7 | -176.3 | -60 | 177.3 | -178.9 | -149.3 | -15.4 | 111.6 | Y233 D234 G237 V251 W252 I260 W276 S298 V299 | Y233-R239 VanDerWaalsContact CA-O 3.29Å; Y233-R239 WeakPolarHBondContact CA-O 3.49Å; Y233-R239 WeakPolarHBondContact CD1-O 3.49Å; D234-R239 HydrophobicContact CB-CB 4.25Å; D234-R239 PolarHBondContact N-O 2.71Å; D234-R239 VanDerWaalsContact N-O 3.08Å; D234-R239 PolarHBondContact OD1-N 3.17Å; G237-R239 PolarHBondContact O-N 2.77Å; R239-V251 HydrophobicContact CB-CG1 4.36Å; R239-W252 VanDerWaalsContact CA-O 3.31Å; R239-W252 WeakPolarHBondContact CA-O 3.36Å; R239-I260 HydrophobicContact CG-CD1 4.11Å; R239-W276 HydrophobicContact CB-CH2 4.37Å; R239-W276 HydrophobicContact CB-CZ2 3.94Å; R239-S298 PolarHBondContact NH1-OG 3.03Å; R239-V299 VanDerWaalsContact CZ-O 3.29Å; R239-V299 PolarHBondContact NH1-O 2.98Å; R239-V299 PolarHBondContact NH2-O 2.93Å |
| 240 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.1 | 168.3 | 177.2 | 62.1 | 0 | 0 | 0 | 108.6 | A200 V207 I209 Y221 C231 Y233 V251 W252 T254 | A200-L240 HydrophobicContact CB-CD1 4.08Å; A200-L240 HydrophobicContact CB-CD2 4.32Å; V207-L240 HydrophobicContact CG1-CD2 4.17Å; I209-L240 HydrophobicContact CD1-CD2 3.87Å; Y221-L240 HydrophobicContact CD2-CD2 3.68Å; Y221-L240 HydrophobicContact CE2-CD2 3.49Å; Y221-L240 VanDerWaalsContact CE2-CD2 3.49Å; C231-L240 HydrophobicContact CB-CD1 4.24Å; Y233-L240 HydrophobicContact CD1-CB 3.99Å; Y233-L240 HydrophobicContact CD1-CD1 3.99Å; Y233-L240 HydrophobicContact CD2-CD1 4.17Å; Y233-L240 HydrophobicContact CE1-CB 3.84Å; Y233-L240 HydrophobicContact CE1-CD1 3.9Å; Y233-L240 HydrophobicContact CE1-CD2 4.3Å; Y233-L240 HydrophobicContact CE1-CG 4.23Å; Y233-L240 HydrophobicContact CE2-CD1 4.1Å; Y233-L240 HydrophobicContact CG-CD1 4.12Å; L240-V251 CarbonylContact O-C 3.56Å; L240-V251 VanDerWaalsContact O-CA 3.32Å; L240-V251 WeakPolarHBondContact O-CA 2.99Å; L240-W252 HydrophobicContact CD2-CE3 4.45Å; L240-W252 HydrophobicContact CG-CE3 4.32Å; L240-W252 PolarHBondContact N-O 2.98Å; L240-W252 PolarHBondContact O-N 3.27Å; L240-T254 HydrophobicContact CB-CG2 3.95Å |
| 241 | A | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 147.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C231 C232 F250 V251 L274 W276 L284 | C231-A241 CarbonylContact C-O 3.53Å; C231-A241 WeakPolarHBondContact CA-O 3.49Å; C231-A241 WeakPolarHBondContact CB-O 3.44Å; C232-A241 PolarHBondContact N-O 3.04Å; C232-A241 PolarHBondContact O-N 3.22Å; A241-F250 CarbonylContact C-O 3.55Å; A241-F250 WeakPolarHBondContact CA-O 3.5Å; A241-V251 HydrophobicContact CB-CG2 4.13Å; A241-L274 HydrophobicContact CB-CD1 4.21Å; A241-W276 HydrophobicContact CB-CZ2 3.84Å; A241-L284 HydrophobicContact CB-CD1 4.01Å; A241-L284 HydrophobicContact CB-CD2 3.8Å |
| 242 | A | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V207 V230 C231 I249 F250 W252 | V207-A242 HydrophobicContact CG2-CB 3.64Å; V230-A242 CarbonylContact O-C 3.59Å; V230-A242 WeakPolarHBondContact O-CA 3.13Å; C231-A242 HydrophobicContact CB-CB 4Å; A242-I249 WeakPolarHBondContact O-CA 3.2Å; A242-F250 PolarHBondContact N-O 3.02Å; A242-F250 PolarHBondContact O-N 3.44Å; A242-W252 HydrophobicContact CB-CH2 4.07Å; A242-W252 HydrophobicContact CB-CZ3 3.71Å |
| 243 | A | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S229 V230 S248 L271 L274 | S229-A243 PolarHBondContact N-O 3.31Å; V230-A243 PolarHBondContact N-O 3.01Å; V230-A243 PolarHBondContact O-N 2.72Å; A243-S248 WeakPolarHBondContact CA-O 3.33Å; A243-L271 HydrophobicContact CB-CB 3.86Å; A243-L271 HydrophobicContact CB-CD1 3.76Å; A243-L271 HydrophobicContact CB-CG 4.23Å; A243-L274 HydrophobicContact CB-CD1 3.67Å; A243-L274 HydrophobicContact CB-CD2 4.31Å; A243-L274 HydrophobicContact CB-CG 3.99Å |
| 244 | C | 91.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 165 | -178 | -68.4 | 0 | 0 | 0 | 0 | 113.8 | V223 N227 A228 N246 G247 S248 | V223-C244 HydrophobicContact CG1-CB 4.48Å; V223-C244 WeakPolarHBondContact CG1-SG 3.45Å; N227-C244 CarbonylContact O-C 3.58Å; N227-C244 WeakPolarHBondContact O-CA 3.45Å; N227-C244 WeakPolarHBondContact O-CB 3.41Å; A228-C244 VanDerWaalsContact CA-SG 3.51Å; C244-N246 WeakPolarHBondContact CB-OD1 3.26Å; C244-N246 PolarHBondContact O-N 3.02Å; C244-G247 PolarHBondContact O-N 3.45Å; C244-S248 PolarHBondContact N-O 3.31Å |
| 245 | M | 88.8 | Confident | 90.3 | Very high | 41 Ų | 41 | 22.8 Ų | 22.8 | 20% | 0.202 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.8 | -178 | -63.6 | -165.4 | 72.3 | 0 | 0 | 114.5 | H184 N227 G247 T270 | H184-M245 HydrophobicContact CB-CE 4.12Å; H184-M245 HydrophobicContact CB-SD 3.87Å; H184-M245 WeakPolarHBondContact ND1-CE 3.21Å; N227-M245 HydrophobicContact CB-CG 4.32Å; N227-M245 HydrophobicContact CB-SD 4.31Å; N227-M245 PolarHBondContact O-N 3.07Å; M245-G247 VanDerWaalsContact C-N 3.31Å; M245-T270 PolarHBondContact O-OG1 3.05Å |
| 246 | N | 87.3 | Confident | 90.3 | Very high | 46 Ų | 46 | 22.6 Ų | 22.6 | 25% | 0.246 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5 | 172.6 | 69.4 | -29 | 0 | 0 | 0 | 113.3 | D225 S226 C244 S248 G268 | D225-N246 WeakPolarHBondContact CB-ND2 3.38Å; S226-N246 VanDerWaalsContact CB-CG 3.47Å; S226-N246 WeakPolarHBondContact CB-OD1 3.48Å; C244-N246 WeakPolarHBondContact CB-OD1 3.26Å; C244-N246 PolarHBondContact O-N 3.02Å; N246-S248 VanDerWaalsContact C-N 3.34Å; N246-S248 PolarHBondContact ND2-OG 3.19Å; N246-S248 WeakPolarHBondContact OD1-CB 3.45Å; N246-S248 PolarHBondContact OD1-N 3.39Å; N246-S248 VanDerWaalsContact OD1-N 3.13Å; N246-S248 PolarHBondContact OD1-OG 3.2Å; N246-G268 CarbonylContact O-C 3.54Å; N246-G268 VanDerWaalsContact O-C 3.23Å; N246-G268 WeakPolarHBondContact O-CA 3.41Å |
| 247 | G | 87.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 80.6 | 5.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | C244 M245 H265 R269 | C244-G247 PolarHBondContact O-N 3.45Å; M245-G247 VanDerWaalsContact C-N 3.31Å; G247-H265 WeakPolarHBondContact O-CB 3.4Å; G247-H265 PolarHBondContact O-N 3.22Å; G247-R269 WeakPolarHBondContact CA-O 3.42Å; G247-R269 PolarHBondContact N-O 2.82Å |
| 248 | S | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 136.4 | 171.3 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | D225 A243 C244 N246 D263 | D225-S248 PolarHBondContact OD2-OG 2.76Å; A243-S248 WeakPolarHBondContact CA-O 3.33Å; C244-S248 PolarHBondContact N-O 3.31Å; N246-S248 VanDerWaalsContact C-N 3.34Å; N246-S248 PolarHBondContact ND2-OG 3.19Å; N246-S248 WeakPolarHBondContact OD1-CB 3.45Å; N246-S248 PolarHBondContact OD1-N 3.39Å; N246-S248 VanDerWaalsContact OD1-N 3.13Å; N246-S248 PolarHBondContact OD1-OG 3.2Å; S248-D263 CarbonylContact C-O 3.51Å; S248-D263 WeakPolarHBondContact CA-O 3.29Å |
| 249 | I | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.3 | 179.3 | -54.5 | 167.5 | 0 | 0 | 0 | 108 | A242 R262 D263 L271 L284 L286 L296 | A242-I249 WeakPolarHBondContact O-CA 3.2Å; I249-R262 CarbonylContact O-C 3.51Å; I249-R262 VanDerWaalsContact O-CA 3.3Å; I249-R262 WeakPolarHBondContact O-CA 3.27Å; I249-D263 PolarHBondContact N-O 3.17Å; I249-D263 PolarHBondContact O-N 2.73Å; I249-L271 HydrophobicContact CD1-CD1 3.8Å; I249-L271 HydrophobicContact CG1-CD1 3.7Å; I249-L284 HydrophobicContact CG2-CD2 4.01Å; I249-L286 HydrophobicContact CD1-CD2 3.89Å; I249-L296 HydrophobicContact CD1-CD2 3.63Å |
| 250 | F | 92.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.6 | 178.3 | -68 | -106.7 | 0 | 0 | 0 | 109.2 | V223 A241 A242 W252 L259 R262 | V223-F250 HydrophobicContact CB-CE2 4.4Å; V223-F250 HydrophobicContact CG1-CD2 3.59Å; V223-F250 HydrophobicContact CG1-CE1 4.33Å; V223-F250 HydrophobicContact CG1-CE2 3.2Å; V223-F250 HydrophobicContact CG1-CG 4.34Å; V223-F250 HydrophobicContact CG1-CZ 3.62Å; V223-F250 HydrophobicContact CG2-CD2 4.33Å; V223-F250 HydrophobicContact CG2-CG 4.45Å; A241-F250 CarbonylContact C-O 3.55Å; A241-F250 WeakPolarHBondContact CA-O 3.5Å; A242-F250 PolarHBondContact N-O 3.02Å; A242-F250 PolarHBondContact O-N 3.44Å; F250-W252 HydrophobicContact CB-CE3 4.46Å; F250-W252 HydrophobicContact CB-CH2 3.35Å; F250-W252 HydrophobicContact CB-CZ2 3.56Å; F250-W252 HydrophobicContact CB-CZ3 3.84Å; F250-W252 HydrophobicContact CD1-CZ2 4.12Å; F250-W252 HydrophobicContact CG-CH2 4.14Å; F250-W252 HydrophobicContact CG-CZ2 4.09Å; F250-L259 HydrophobicContact CB-CD1 4.09Å; F250-L259 HydrophobicContact CD1-CD1 3.81Å; F250-L259 HydrophobicContact CD1-CD2 4.31Å; F250-L259 HydrophobicContact CG-CD1 4.44Å; F250-R262 HydrophobicContact CD1-CB 4.29Å; F250-R262 HydrophobicContact CD1-CG 4.07Å; F250-R262 HydrophobicContact CE1-CB 4.36Å; F250-R262 VanDerWaalsContact CE1-CD 3.49Å; F250-R262 HydrophobicContact CE1-CG 3.74Å; F250-R262 HydrophobicContact CE2-CG 4.36Å; F250-R262 HydrophobicContact CZ-CG 3.89Å |
| 251 | V | 93 | Very high | 89.6 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.4 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | R239 L240 A241 I260 F261 W276 L284 | R239-V251 HydrophobicContact CB-CG1 4.36Å; L240-V251 CarbonylContact O-C 3.56Å; L240-V251 VanDerWaalsContact O-CA 3.32Å; L240-V251 WeakPolarHBondContact O-CA 2.99Å; A241-V251 HydrophobicContact CB-CG2 4.13Å; V251-I260 HydrophobicContact CG1-CD1 4.27Å; V251-I260 PolarHBondContact O-N 2.87Å; V251-F261 HydrophobicContact CB-CB 4.33Å; V251-F261 HydrophobicContact CG2-CD1 4.25Å; V251-F261 PolarHBondContact N-O 3.03Å; V251-F261 PolarHBondContact O-N 2.92Å; V251-W276 HydrophobicContact CG1-CH2 3.87Å; V251-W276 HydrophobicContact CG1-CZ2 3.76Å; V251-W276 HydrophobicContact CG2-CH2 4.27Å; V251-W276 HydrophobicContact CG2-CZ2 4.15Å; V251-L284 HydrophobicContact CG2-CD2 4.37Å |
| 252 | W | 92.7 | Very high | 89.2 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148.9 | 175.9 | -56.5 | -92.7 | 0 | 0 | 0 | 111.7 | V207 Y221 V223 R239 L240 A242 F250 T258 L259 | V207-W252 HydrophobicContact CG2-CH2 4.32Å; V207-W252 HydrophobicContact CG2-CZ3 4.38Å; Y221-W252 HydrophobicContact CD1-CB 4.25Å; Y221-W252 AromaticContact CD1-CD1 3.61Å; Y221-W252 AromaticContact CD1-CD2 3.98Å; Y221-W252 HydrophobicContact CD1-CD2 3.98Å; Y221-W252 AromaticContact CD1-CG 3.7Å; Y221-W252 HydrophobicContact CD1-CG 3.7Å; Y221-W252 AromaticContact CD1-NE1 3.86Å; Y221-W252 HydrophobicContact CE1-CB 4.06Å; Y221-W252 HydrophobicContact CE1-CG 4.03Å; Y221-W252 AromaticContact CG-CD2 3.91Å; Y221-W252 HydrophobicContact CG-CD2 3.91Å; Y221-W252 HydrophobicContact CG-CE3 4.29Å; Y221-W252 HydrophobicContact CG-CG 4.12Å; Y221-W252 HydrophobicContact CG-CZ2 4.48Å; V223-W252 HydrophobicContact CG2-CH2 3.68Å; V223-W252 HydrophobicContact CG2-CZ2 4.03Å; R239-W252 VanDerWaalsContact CA-O 3.31Å; R239-W252 WeakPolarHBondContact CA-O 3.36Å; L240-W252 HydrophobicContact CD2-CE3 4.45Å; L240-W252 HydrophobicContact CG-CE3 4.32Å; L240-W252 PolarHBondContact N-O 2.98Å; L240-W252 PolarHBondContact O-N 3.27Å; A242-W252 HydrophobicContact CB-CH2 4.07Å; A242-W252 HydrophobicContact CB-CZ3 3.71Å; F250-W252 HydrophobicContact CB-CE3 4.46Å; F250-W252 HydrophobicContact CB-CH2 3.35Å; F250-W252 HydrophobicContact CB-CZ2 3.56Å; F250-W252 HydrophobicContact CB-CZ3 3.84Å; F250-W252 HydrophobicContact CD1-CZ2 4.12Å; F250-W252 HydrophobicContact CG-CH2 4.14Å; F250-W252 HydrophobicContact CG-CZ2 4.09Å; W252-T258 CarbonylContact C-O 3.57Å; W252-T258 WeakPolarHBondContact CA-O 3.49Å; W252-L259 HydrophobicContact CD2-CD1 4.3Å; W252-L259 HydrophobicContact CG-CD1 4.29Å; W252-L259 HydrophobicContact CZ2-CD1 4.4Å |
| 253 | E | 91.9 | Very high | 88.8 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 123.1 | 163.7 | -171.8 | 171.8 | -115.1 | 0 | 0 | 108.5 | A238 G255 S256 D257 T258 I260 | A238-E253 WeakPolarHBondContact O-CA 3.21Å; E253-G255 PolarHBondContact O-N 2.86Å; E253-S256 WeakPolarHBondContact CB-OG 3.24Å; E253-S256 VanDerWaalsContact OE2-CB 3.27Å; E253-S256 WeakPolarHBondContact OE2-CB 3.5Å; E253-S256 PolarHBondContact OE2-OG 2.79Å; E253-D257 VanDerWaalsContact O-CA 3.28Å; E253-D257 WeakPolarHBondContact O-CA 3.28Å; E253-D257 PolarHBondContact O-N 3.07Å; E253-T258 PolarHBondContact N-O 2.85Å; E253-I260 HydrophobicContact CB-CD1 3.8Å; E253-I260 HydrophobicContact CB-CG1 3.82Å |
| 254 | T | 87.5 | Confident | 88.4 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 14% | 0.135 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.5 | -168.6 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | K219 Y233 G237 A238 L240 | K219-T254 PolarHBondContact NZ-O 3.11Å; Y233-T254 HydrophobicContact CD1-CG2 4.01Å; Y233-T254 HydrophobicContact CE1-CG2 3.7Å; G237-T254 WeakPolarHBondContact O-CB 3.43Å; G237-T254 VanDerWaalsContact O-CG2 3.29Å; G237-T254 WeakPolarHBondContact O-CG2 3.48Å; G237-T254 PolarHBondContact O-OG1 3.43Å; A238-T254 VanDerWaalsContact C-OG1 3.25Å; A238-T254 WeakPolarHBondContact CA-OG1 3.33Å; A238-T254 PolarHBondContact O-N 3.16Å; A238-T254 PolarHBondContact O-OG1 3.13Å; L240-T254 HydrophobicContact CB-CG2 3.95Å |
| 255 | G | 85.2 | Confident | 88 | Confident | 76 Ų | 76 | 39.3 Ų | 39.3 | 78% | 0.784 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -30.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | E253 | E253-G255 PolarHBondContact O-N 2.86Š|
| 256 | S | 86.3 | Confident | 87.5 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -9.7 | 179.2 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | E253 T258 | E253-S256 WeakPolarHBondContact CB-OG 3.24Å; E253-S256 VanDerWaalsContact OE2-CB 3.27Å; E253-S256 WeakPolarHBondContact OE2-CB 3.5Å; E253-S256 PolarHBondContact OE2-OG 2.79Å; S256-T258 PolarHBondContact O-N 3.23Å; S256-T258 VanDerWaalsContact O-N 3.14Å; S256-T258 WeakPolarHBondContact OG-CG2 3.38Å; S256-T258 PolarHBondContact OG-N 3.22Å; S256-T258 PolarHBondContact OG-OG1 3.42Å |
| 257 | D | 87.3 | Confident | 87.2 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | trans | 55.8 | 20.9 | -172.5 | -65.3 | -17.2 | 0 | 0 | 0 | 114.4 | K219 Y221 E253 | K219-D257 WeakPolarHBondContact CD-OD2 3.02Å; K219-D257 IonicContact NZ-OD1 2.7Å; K219-D257 PolarHBondContact NZ-OD1 3.2Å; K219-D257 IonicContact NZ-OD2 3.21Å; K219-D257 PolarHBondContact NZ-OD2 3.01Å; Y221-D257 HydrophobicContact CE1-CB 4.14Å; Y221-D257 PolarHBondContact OH-OD1 3.11Å; E253-D257 VanDerWaalsContact O-CA 3.28Å; E253-D257 WeakPolarHBondContact O-CA 3.28Å; E253-D257 PolarHBondContact O-N 3.07Å | ||
| 258 | T | 89.1 | Confident | 86.9 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | trans | -84.9 | 142.1 | 177.2 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | W252 E253 S256 I260 | W252-T258 CarbonylContact C-O 3.57Å; W252-T258 WeakPolarHBondContact CA-O 3.49Å; E253-T258 PolarHBondContact N-O 2.85Å; S256-T258 PolarHBondContact O-N 3.23Å; S256-T258 VanDerWaalsContact O-N 3.14Å; S256-T258 WeakPolarHBondContact OG-CG2 3.38Å; S256-T258 PolarHBondContact OG-N 3.22Å; S256-T258 PolarHBondContact OG-OG1 3.42Å; T258-I260 PolarHBondContact O-N 2.92Å | ||
| 259 | L | 88.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 106.5 | 168.5 | -178.8 | 70.8 | 0 | 0 | 0 | 108.3 | F250 W252 F261 R262 | F250-L259 HydrophobicContact CB-CD1 4.09Å; F250-L259 HydrophobicContact CD1-CD1 3.81Å; F250-L259 HydrophobicContact CD1-CD2 4.31Å; F250-L259 HydrophobicContact CG-CD1 4.44Å; W252-L259 HydrophobicContact CD2-CD1 4.3Å; W252-L259 HydrophobicContact CG-CD1 4.29Å; W252-L259 HydrophobicContact CZ2-CD1 4.4Å; L259-F261 WeakPolarHBondContact CD1-O 3.39Å; L259-R262 HydrophobicContact CD2-CB 4.27Å |
| 260 | I | 85.3 | Confident | 86.4 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -43.3 | 175 | -55.1 | 174.4 | 0 | 0 | 0 | 109.4 | R239 V251 E253 T258 | R239-I260 HydrophobicContact CG-CD1 4.11Å; V251-I260 HydrophobicContact CG1-CD1 4.27Å; V251-I260 PolarHBondContact O-N 2.87Å; E253-I260 HydrophobicContact CB-CD1 3.8Å; E253-I260 HydrophobicContact CB-CG1 3.82Å; T258-I260 PolarHBondContact O-N 2.92Å |
| 261 | F | 82.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 142.5 | -164.2 | 175.8 | -105.1 | 0 | 0 | 0 | 112.5 | M1 V251 L259 D263 L296 | M1-F261 HydrophobicContact CB-CE2 4.15Å; M1-F261 HydrophobicContact CG-CE2 4.44Å; V251-F261 HydrophobicContact CB-CB 4.33Å; V251-F261 HydrophobicContact CG2-CD1 4.25Å; V251-F261 PolarHBondContact N-O 3.03Å; V251-F261 PolarHBondContact O-N 2.92Å; L259-F261 WeakPolarHBondContact CD1-O 3.39Å; F261-D263 HydrophobicContact CE1-CB 3.65Å; F261-D263 HydrophobicContact CE2-CB 4.33Å; F261-D263 HydrophobicContact CZ-CB 3.49Å; F261-D263 VanDerWaalsContact CZ-CB 3.49Å; F261-L296 HydrophobicContact CE1-CD2 3.76Å; F261-L296 HydrophobicContact CE1-CG 4.17Å; F261-L296 HydrophobicContact CZ-CD1 4.32Å; F261-L296 HydrophobicContact CZ-CD2 4.24Å; F261-L296 HydrophobicContact CZ-CG 4.36Å |
| 262 | R | 86.1 | Confident | 86.1 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.3 | 171.4 | 176 | -175.9 | 179.7 | 167.9 | -0.6 | 108.3 | E224 D225 I249 F250 L259 | E224-R262 IonicContact OE2-NH1 3.72Å; E224-R262 PolarHBondContact OE2-NH1 2.86Å; E224-R262 VanDerWaalsContact OE2-NH1 3.14Å; D225-R262 IonicContact OD1-NH2 2.79Å; D225-R262 PolarHBondContact OD1-NH2 3.41Å; D225-R262 IonicContact OD2-CZ 3.88Å; D225-R262 IonicContact OD2-NH2 3.18Å; D225-R262 PolarHBondContact OD2-NH2 3.15Å; I249-R262 CarbonylContact O-C 3.51Å; I249-R262 VanDerWaalsContact O-CA 3.3Å; I249-R262 WeakPolarHBondContact O-CA 3.27Å; F250-R262 HydrophobicContact CD1-CB 4.29Å; F250-R262 HydrophobicContact CD1-CG 4.07Å; F250-R262 HydrophobicContact CE1-CB 4.36Å; F250-R262 VanDerWaalsContact CE1-CD 3.49Å; F250-R262 HydrophobicContact CE1-CG 3.74Å; F250-R262 HydrophobicContact CE2-CG 4.36Å; F250-R262 HydrophobicContact CZ-CG 3.89Å; L259-R262 HydrophobicContact CD2-CB 4.27Å |
| 263 | D | 85.4 | Confident | 86.1 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 174.1 | 175.1 | -153.7 | -6.5 | 0 | 0 | 0 | 110.7 | S248 I249 F261 | S248-D263 CarbonylContact C-O 3.51Å; S248-D263 WeakPolarHBondContact CA-O 3.29Å; I249-D263 PolarHBondContact N-O 3.17Å; I249-D263 PolarHBondContact O-N 2.73Å; F261-D263 HydrophobicContact CE1-CB 3.65Å; F261-D263 HydrophobicContact CE2-CB 4.33Å; F261-D263 HydrophobicContact CZ-CB 3.49Å; F261-D263 VanDerWaalsContact CZ-CB 3.49Å |
| 264 | V | 83.9 | Confident | 86.1 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 38% | 0.376 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132 | 174.1 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 265 | H | 83.2 | Confident | 86.4 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | trans | -46.4 | 132.5 | 171.2 | 177 | -76 | 0 | 0 | 0 | 110.5 | L7 G247 K267 G268 R269 D288 | L7-H265 VanDerWaalsContact CD1-CD2 3.5Å; L7-H265 WeakPolarHBondContact CD1-CD2 3.41Å; L7-H265 WeakPolarHBondContact CD1-NE2 3.29Å; G247-H265 WeakPolarHBondContact O-CB 3.4Å; G247-H265 PolarHBondContact O-N 3.22Å; H265-K267 PolarHBondContact ND1-N 3.24Å; H265-K267 VanDerWaalsContact ND1-N 3.16Å; H265-K267 PolarHBondContact O-N 3.33Å; H265-G268 PolarHBondContact O-N 2.94Å; H265-R269 PolarHBondContact ND1-N 3.05Å; H265-D288 IonicContact CE1-OD2 2.93Å; H265-D288 IonicContact NE2-OD2 2.73Å; H265-D288 PolarHBondContact NE2-OD2 2.84Å | ||
| 266 | P | 77.7 | Confident | 86.7 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.7 | -164.9 | -25.7 | 35.3 | 0 | 0 | 0 | 115 | F3 L7 | F3-P266 HydrophobicContact CD2-CG 4.01Å; F3-P266 VanDerWaalsContact CE2-CD 3.5Å; F3-P266 HydrophobicContact CE2-CG 3.55Å; F3-P266 HydrophobicContact CZ-CG 4.12Å; L7-P266 HydrophobicContact CD1-CG 4.43Å |
| 267 | K | 81 | Confident | 86.8 | Confident | 126 Ų | 126 | 45 Ų | 45 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 14.4 | 176.4 | -58.2 | -179.5 | 177 | 175.6 | 0 | 114.3 | H265 R269 | H265-K267 PolarHBondContact ND1-N 3.24Å; H265-K267 VanDerWaalsContact ND1-N 3.16Å; H265-K267 PolarHBondContact O-N 3.33Å; K267-R269 VanDerWaalsContact C-N 3.35Å; K267-R269 HydrophobicContact CB-CG 4.05Å; K267-R269 PolarHBondContact O-N 2.99Å |
| 268 | G | 81.4 | Confident | 86.6 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | trans | 59.2 | 36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N246 H265 | N246-G268 CarbonylContact O-C 3.54Å; N246-G268 VanDerWaalsContact O-C 3.23Å; N246-G268 WeakPolarHBondContact O-CA 3.41Å; H265-G268 PolarHBondContact O-N 2.94Å | ||
| 269 | R | 85 | Confident | 86.3 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -99.3 | 141.9 | -171.8 | -63.3 | 174.5 | 173.9 | 177.2 | -8.8 | 111.3 | G247 H265 K267 L271 D288 N290 | G247-R269 WeakPolarHBondContact CA-O 3.42Å; G247-R269 PolarHBondContact N-O 2.82Å; H265-R269 PolarHBondContact ND1-N 3.05Å; K267-R269 VanDerWaalsContact C-N 3.35Å; K267-R269 HydrophobicContact CB-CG 4.05Å; K267-R269 PolarHBondContact O-N 2.99Å; R269-L271 PolarHBondContact O-N 3.1Å; R269-D288 HydrophobicContact CB-CB 4.31Å; R269-D288 WeakPolarHBondContact CD-OD2 3.19Å; R269-D288 IonicContact CZ-OD2 3.78Å; R269-D288 IonicContact NE-OD2 2.77Å; R269-D288 IonicContact NH1-OD2 2.67Å; R269-D288 PolarHBondContact NH1-OD2 3.48Å; R269-N290 VanDerWaalsContact CD-ND2 3.31Å; R269-N290 WeakPolarHBondContact CD-ND2 3.4Å; R269-N290 PolarHBondContact NE-ND2 2.97Å |
| 270 | T | 88.1 | Confident | 85.9 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 133.8 | 171 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | M245 D288 V289 | M245-T270 PolarHBondContact O-OG1 3.05Å; T270-D288 WeakPolarHBondContact O-CA 3.36Å; T270-V289 HydrophobicContact CG2-CG1 4.03Å; T270-V289 PolarHBondContact O-N 3.33Å; T270-V289 VanDerWaalsContact O-N 3.07Å |
| 271 | L | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 137.7 | 168.9 | -57.5 | -177.7 | 0 | 0 | 0 | 110.7 | A243 I249 R269 L274 L286 A287 D288 | A243-L271 HydrophobicContact CB-CB 3.86Å; A243-L271 HydrophobicContact CB-CD1 3.76Å; A243-L271 HydrophobicContact CB-CG 4.23Å; I249-L271 HydrophobicContact CD1-CD1 3.8Å; I249-L271 HydrophobicContact CG1-CD1 3.7Å; R269-L271 PolarHBondContact O-N 3.1Å; L271-L274 HydrophobicContact CD1-CD2 3.99Å; L271-L286 HydrophobicContact CD1-CB 4.24Å; L271-L286 HydrophobicContact CD1-CD1 4.31Å; L271-L286 HydrophobicContact CD2-CD1 3.8Å; L271-A287 CarbonylContact C-O 3.53Å; L271-A287 VanDerWaalsContact CA-O 3.25Å; L271-A287 WeakPolarHBondContact CA-O 3.39Å; L271-A287 WeakPolarHBondContact CB-O 3.42Å; L271-A287 WeakPolarHBondContact CD2-O 3.44Å; L271-D288 HydrophobicContact CD2-CB 3.99Å |
| 272 | C | 89.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -24 | -179 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | I15 T16 L186 A287 D288 V289 | I15-C272 HydrophobicContact CG2-CB 4.39Å; T16-C272 PolarHBondContact N-SG 3.26Å; T16-C272 VanDerWaalsContact N-SG 3.36Å; T16-C272 PolarHBondContact O-SG 3.36Å; L186-C272 HydrophobicContact CD1-CB 4.19Å; C272-A287 PolarHBondContact N-O 2.89Å; C272-A287 PolarHBondContact SG-O 2.94Å; C272-A287 VanDerWaalsContact SG-O 3.35Å; C272-D288 PolarHBondContact SG-O 3.22Å; C272-V289 HydrophobicContact CB-CG1 4.32Å |
| 273 | A | 91.5 | Very high | 85.2 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T16 I18 L286 A287 | T16-A273 WeakPolarHBondContact O-CB 3.36Å; I18-A273 HydrophobicContact CB-CB 4.21Å; I18-A273 HydrophobicContact CG1-CB 4.14Å; A273-L286 WeakPolarHBondContact O-CA 3.31Å; A273-A287 HydrophobicContact CB-CB 4.26Å; A273-A287 PolarHBondContact O-N 2.94Å; A273-A287 VanDerWaalsContact O-N 3.14Å |
| 274 | L | 93.1 | Very high | 85.4 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.9 | 168.5 | -73 | -176.2 | 0 | 0 | 0 | 108.7 | V230 C232 A241 A243 L271 L284 L285 L286 | V230-L274 HydrophobicContact CG1-CB 3.97Å; V230-L274 HydrophobicContact CG1-CD1 4.38Å; V230-L274 HydrophobicContact CG1-CG 4.1Å; C232-L274 VanDerWaalsContact SG-CB 3.55Å; C232-L274 PolarHBondContact SG-O 2.88Å; A241-L274 HydrophobicContact CB-CD1 4.21Å; A243-L274 HydrophobicContact CB-CD1 3.67Å; A243-L274 HydrophobicContact CB-CD2 4.31Å; A243-L274 HydrophobicContact CB-CG 3.99Å; L271-L274 HydrophobicContact CD1-CD2 3.99Å; L274-L284 HydrophobicContact CB-CD1 4.4Å; L274-L284 HydrophobicContact CD2-CD1 4.44Å; L274-L284 HydrophobicContact CD2-CD2 4.21Å; L274-L284 HydrophobicContact CD2-CG 4.33Å; L274-L285 WeakPolarHBondContact CA-O 3.23Å; L274-L286 HydrophobicContact CD2-CB 3.68Å |
| 275 | C | 92.9 | Very high | 85.8 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 127.9 | 177 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | I18 L285 | I18-C275 HydrophobicContact CG2-CB 4.16Å; C275-L285 PolarHBondContact N-O 3.42Å; C275-L285 WeakPolarHBondContact O-CA 3.24Å; C275-L285 VanDerWaalsContact O-CB 3.28Å; C275-L285 WeakPolarHBondContact O-CB 3.43Å; C275-L285 PolarHBondContact O-N 3.18Å |
| 276 | W | 91.4 | Very high | 86.3 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 137.2 | 173.6 | -73.9 | 95.4 | 0 | 0 | 0 | 110.7 | I20 C232 Y233 D234 R239 A241 V251 P278 L284 | I20-W276 WeakPolarHBondContact CD1-O 3.46Å; C232-W276 PolarHBondContact O-NE1 3.21Å; Y233-W276 VanDerWaalsContact O-CD1 3.25Å; D234-W276 HydrophobicContact CB-CB 4.18Å; D234-W276 HydrophobicContact CB-CD2 3.98Å; D234-W276 HydrophobicContact CB-CG 3.81Å; R239-W276 HydrophobicContact CB-CH2 4.37Å; R239-W276 HydrophobicContact CB-CZ2 3.94Å; A241-W276 HydrophobicContact CB-CZ2 3.84Å; V251-W276 HydrophobicContact CG1-CH2 3.87Å; V251-W276 HydrophobicContact CG1-CZ2 3.76Å; V251-W276 HydrophobicContact CG2-CH2 4.27Å; V251-W276 HydrophobicContact CG2-CZ2 4.15Å; W276-P278 WeakPolarHBondContact O-CD 3.5Å; W276-L284 HydrophobicContact CD2-CB 4.44Å; W276-L284 HydrophobicContact CD2-CD1 3.91Å; W276-L284 HydrophobicContact CE3-CB 4.12Å; W276-L284 HydrophobicContact CE3-CD1 4.43Å; W276-L284 HydrophobicContact CG-CD1 4.07Å; W276-L284 HydrophobicContact CH2-CB 4.36Å; W276-L284 HydrophobicContact CZ2-CD1 4.43Å; W276-L284 HydrophobicContact CZ3-CB 4.08Å |
| 277 | N | 88.6 | Confident | 86.9 | Confident | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | trans | -78.2 | 115.2 | 175.1 | -173.6 | -12.5 | 0 | 0 | 0 | 110.2 | I20 F279 N280 Q283 L285 | I20-N277 HydrophobicContact CD1-CB 4.42Å; N277-F279 PolarHBondContact O-N 2.83Å; N277-F279 WeakPolarHBondContact OD1-CB 3.41Å; N277-F279 WeakPolarHBondContact OD1-CD2 3.22Å; N277-F279 PolarHBondContact OD1-N 3.26Å; N277-N280 CarbonylContact O-C 3.55Å; N277-N280 PolarHBondContact O-N 2.77Å; N277-Q283 HydrophobicContact CB-CB 4.17Å; N277-Q283 PolarHBondContact N-O 2.88Å; N277-Q283 PolarHBondContact ND2-OE1 2.78Å; N277-L285 HydrophobicContact CB-CD2 4.48Å; N277-L285 HydrophobicContact CB-CG 4.35Å | ||
| 278 | P | 84.2 | Confident | 87.4 | Confident | 33 Ų | 33 | 24 Ų | 24 | 21% | 0.214 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -70.5 | -16.3 | -179.9 | 30.4 | -35.4 | 0 | 0 | 0 | 112.9 | I20 E22 W276 | I20-P278 VanDerWaalsContact CD1-CD 3.44Å; I20-P278 HydrophobicContact CG2-CG 4.38Å; E22-P278 HydrophobicContact CG-CG 4.39Å; W276-P278 WeakPolarHBondContact O-CD 3.5Å |
| 279 | F | 82.2 | Confident | 87.8 | Confident | 79 Ų | 79 | 24.1 Ų | 24.1 | 35% | 0.346 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -90.2 | -26.2 | 179 | -52.7 | -62.7 | 0 | 0 | 0 | 113.4 | I20 E22 K25 N277 | I20-F279 HydrophobicContact CG2-CE2 3.86Å; E22-F279 HydrophobicContact CB-CZ 4.4Å; E22-F279 WeakPolarHBondContact O-CZ 3.45Å; K25-F279 HydrophobicContact CB-CD2 4.33Å; K25-F279 HydrophobicContact CB-CE2 3.95Å; K25-F279 HydrophobicContact CB-CZ 4.07Å; K25-F279 HydrophobicContact CD-CD1 4.23Å; K25-F279 HydrophobicContact CD-CE1 4.11Å; K25-F279 HydrophobicContact CD-CZ 4.41Å; K25-F279 HydrophobicContact CG-CD1 4.35Å; K25-F279 HydrophobicContact CG-CE1 3.83Å; K25-F279 HydrophobicContact CG-CE2 4.08Å; K25-F279 HydrophobicContact CG-CZ 3.67Å; N277-F279 PolarHBondContact O-N 2.83Å; N277-F279 WeakPolarHBondContact OD1-CB 3.41Å; N277-F279 WeakPolarHBondContact OD1-CD2 3.22Å; N277-F279 PolarHBondContact OD1-N 3.26Å |
| 280 | N | 80.1 | Confident | 87.9 | Confident | 57 Ų | 57 | 23.2 Ų | 23.2 | 31% | 0.305 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -127.9 | 84.9 | 173.5 | 179.5 | -6.9 | 0 | 0 | 0 | 106.8 | N277 A282 Q283 Q297 | N277-N280 CarbonylContact O-C 3.55Å; N277-N280 PolarHBondContact O-N 2.77Å; N280-A282 PolarHBondContact O-N 2.91Å; N280-Q283 HydrophobicContact CB-CB 4.04Å; N280-Q283 WeakPolarHBondContact O-CB 3.31Å; N280-Q283 PolarHBondContact O-N 3.47Å; N280-Q297 PolarHBondContact OD1-NE2 2.49Å |
| 281 | C | 74.4 | Confident | 87.9 | Confident | 77 Ų | 77 | 21.6 Ų | 21.6 | 52% | 0.52 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13.9 | -169.4 | -50.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 282 | A | 78.1 | Confident | 87.9 | Confident | 15 Ų | 15 | 23.3 Ų | 23.3 | 12% | 0.124 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | N280 Q297 S298 | N280-A282 PolarHBondContact O-N 2.91Å; A282-Q297 HydrophobicContact CB-CG 4.35Å; A282-Q297 VanDerWaalsContact CB-NE2 3.25Å; A282-S298 WeakPolarHBondContact CB-O 3.38Å; A282-S298 WeakPolarHBondContact O-CA 3.35Å; A282-S298 WeakPolarHBondContact O-CB 3.21Å; A282-S298 PolarHBondContact O-N 3.47Å |
| 283 | Q | 87 | Confident | 88 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.7 | -176.7 | -169 | -178.3 | 50.1 | 0 | 0 | 112.1 | N277 N280 L285 | N277-Q283 HydrophobicContact CB-CB 4.17Å; N277-Q283 PolarHBondContact N-O 2.88Å; N277-Q283 PolarHBondContact ND2-OE1 2.78Å; N280-Q283 HydrophobicContact CB-CB 4.04Å; N280-Q283 WeakPolarHBondContact O-CB 3.31Å; N280-Q283 PolarHBondContact O-N 3.47Å; Q283-L285 HydrophobicContact CG-CD2 4.05Å |
| 284 | L | 90.5 | Very high | 87.8 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.5 | 170.4 | 178.4 | 63.7 | 0 | 0 | 0 | 109.2 | A241 I249 V251 L274 W276 G295 L296 | A241-L284 HydrophobicContact CB-CD1 4.01Å; A241-L284 HydrophobicContact CB-CD2 3.8Å; I249-L284 HydrophobicContact CG2-CD2 4.01Å; V251-L284 HydrophobicContact CG2-CD2 4.37Å; L274-L284 HydrophobicContact CB-CD1 4.4Å; L274-L284 HydrophobicContact CD2-CD1 4.44Å; L274-L284 HydrophobicContact CD2-CD2 4.21Å; L274-L284 HydrophobicContact CD2-CG 4.33Å; W276-L284 HydrophobicContact CD2-CB 4.44Å; W276-L284 HydrophobicContact CD2-CD1 3.91Å; W276-L284 HydrophobicContact CE3-CB 4.12Å; W276-L284 HydrophobicContact CE3-CD1 4.43Å; W276-L284 HydrophobicContact CG-CD1 4.07Å; W276-L284 HydrophobicContact CH2-CB 4.36Å; W276-L284 HydrophobicContact CZ2-CD1 4.43Å; W276-L284 HydrophobicContact CZ3-CB 4.08Å; L284-G295 CarbonylContact O-C 3.6Å; L284-G295 WeakPolarHBondContact O-CA 3.39Å; L284-L296 PolarHBondContact N-O 2.67Å; L284-L296 PolarHBondContact O-N 2.74Å |
| 285 | L | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 144.1 | 174.1 | -48.1 | -179.9 | 0 | 0 | 0 | 110.2 | I18 I20 I27 F42 L274 C275 N277 Q283 G294 | I18-L285 HydrophobicContact CG2-CB 4.4Å; I18-L285 HydrophobicContact CG2-CD1 4.41Å; I20-L285 HydrophobicContact CD1-CD1 3.66Å; I20-L285 HydrophobicContact CG1-CD1 4.01Å; I27-L285 HydrophobicContact CB-CD1 4.38Å; I27-L285 HydrophobicContact CD1-CD1 3.66Å; I27-L285 HydrophobicContact CD1-CD2 3.99Å; I27-L285 HydrophobicContact CD1-CG 4.49Å; I27-L285 HydrophobicContact CG1-CD1 3.68Å; I27-L285 HydrophobicContact CG2-CD1 3.81Å; F42-L285 HydrophobicContact CD2-CD2 4.2Å; F42-L285 HydrophobicContact CE2-CB 4.33Å; F42-L285 HydrophobicContact CE2-CD2 3.95Å; L274-L285 WeakPolarHBondContact CA-O 3.23Å; C275-L285 PolarHBondContact N-O 3.42Å; C275-L285 WeakPolarHBondContact O-CA 3.24Å; C275-L285 VanDerWaalsContact O-CB 3.28Å; C275-L285 WeakPolarHBondContact O-CB 3.43Å; C275-L285 PolarHBondContact O-N 3.18Å; N277-L285 HydrophobicContact CB-CD2 4.48Å; N277-L285 HydrophobicContact CB-CG 4.35Å; Q283-L285 HydrophobicContact CG-CD2 4.05Å; L285-G294 WeakPolarHBondContact CA-O 3.41Å |
| 286 | L | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 153.4 | -176.5 | 62.7 | 96.9 | 0 | 0 | 0 | 113.3 | F3 L7 I18 I249 L271 A273 L274 V293 G294 L296 | F3-L286 HydrophobicContact CE1-CD1 4.13Å; F3-L286 HydrophobicContact CE1-CD2 3.8Å; F3-L286 HydrophobicContact CE1-CG 4.48Å; L7-L286 HydrophobicContact CD2-CD1 3.72Å; I18-L286 WeakPolarHBondContact CD1-O 3.36Å; I249-L286 HydrophobicContact CD1-CD2 3.89Å; L271-L286 HydrophobicContact CD1-CB 4.24Å; L271-L286 HydrophobicContact CD1-CD1 4.31Å; L271-L286 HydrophobicContact CD2-CD1 3.8Å; A273-L286 WeakPolarHBondContact O-CA 3.31Å; L274-L286 HydrophobicContact CD2-CB 3.68Å; L286-V293 WeakPolarHBondContact O-CA 3.21Å; L286-G294 PolarHBondContact N-O 2.92Å; L286-G294 PolarHBondContact O-N 2.97Å; L286-G294 VanDerWaalsContact O-N 3.17Å; L286-L296 HydrophobicContact CD2-CB 4.04Å; L286-L296 HydrophobicContact CD2-CD2 4.35Å |
| 287 | A | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | T16 I18 L271 C272 A273 F292 V293 | T16-A287 HydrophobicContact CG2-CB 3.83Å; I18-A287 HydrophobicContact CD1-CB 3.78Å; I18-A287 HydrophobicContact CG1-CB 3.97Å; L271-A287 CarbonylContact C-O 3.53Å; L271-A287 VanDerWaalsContact CA-O 3.25Å; L271-A287 WeakPolarHBondContact CA-O 3.39Å; L271-A287 WeakPolarHBondContact CB-O 3.42Å; L271-A287 WeakPolarHBondContact CD2-O 3.44Å; C272-A287 PolarHBondContact N-O 2.89Å; C272-A287 PolarHBondContact SG-O 2.94Å; C272-A287 VanDerWaalsContact SG-O 3.35Å; A273-A287 HydrophobicContact CB-CB 4.26Å; A273-A287 PolarHBondContact O-N 2.94Å; A273-A287 VanDerWaalsContact O-N 3.14Å; A287-F292 CarbonylContact C-O 3.58Å; A287-F292 VanDerWaalsContact CA-O 3.28Å; A287-F292 WeakPolarHBondContact CA-O 3.06Å; A287-V293 HydrophobicContact CB-CG1 4.11Å |
| 288 | D | 90.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 165.7 | 172.2 | 90.3 | -3.7 | 0 | 0 | 0 | 113.2 | H265 R269 T270 L271 C272 N290 G291 F292 | H265-D288 IonicContact CE1-OD2 2.93Å; H265-D288 IonicContact NE2-OD2 2.73Å; H265-D288 PolarHBondContact NE2-OD2 2.84Å; R269-D288 HydrophobicContact CB-CB 4.31Å; R269-D288 WeakPolarHBondContact CD-OD2 3.19Å; R269-D288 IonicContact CZ-OD2 3.78Å; R269-D288 IonicContact NE-OD2 2.77Å; R269-D288 IonicContact NH1-OD2 2.67Å; R269-D288 PolarHBondContact NH1-OD2 3.48Å; T270-D288 WeakPolarHBondContact O-CA 3.36Å; L271-D288 HydrophobicContact CD2-CB 3.99Å; C272-D288 PolarHBondContact SG-O 3.22Å; D288-N290 PolarHBondContact O-N 2.78Å; D288-N290 VanDerWaalsContact O-N 3.15Å; D288-N290 VanDerWaalsContact OD1-CA 3.23Å; D288-N290 WeakPolarHBondContact OD1-CA 3.21Å; D288-N290 WeakPolarHBondContact OD1-CB 3.28Å; D288-N290 PolarHBondContact OD1-N 2.76Å; D288-G291 PolarHBondContact O-N 2.88Å; D288-G291 VanDerWaalsContact O-N 3.1Å; D288-G291 PolarHBondContact OD1-N 3.41Å; D288-F292 PolarHBondContact N-O 2.9Å; D288-F292 PolarHBondContact OD1-N 3.29Å |
| 289 | V | 89.4 | Confident | 84 | Confident | 46 Ų | 46 | 23 Ų | 23 | 28% | 0.279 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -1.9 | 177.2 | -67.6 | 0 | 0 | 0 | 0 | 115.2 | G14 T270 C272 | G14-V289 PolarHBondContact N-O 3.38Å; G14-V289 CarbonylContact O-C 3.59Å; G14-V289 WeakPolarHBondContact O-CA 3.24Å; T270-V289 HydrophobicContact CG2-CG1 4.03Å; T270-V289 PolarHBondContact O-N 3.33Å; T270-V289 VanDerWaalsContact O-N 3.07Å; C272-V289 HydrophobicContact CB-CG1 4.32Å |
| 290 | N | 87.9 | Confident | 82.4 | Confident | 38 Ų | 38 | 22.7 Ų | 22.7 | 20% | 0.203 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -106.8 | 14.3 | 172.5 | -65.7 | -66.6 | 0 | 0 | 0 | 111.8 | R269 D288 F292 | R269-N290 VanDerWaalsContact CD-ND2 3.31Å; R269-N290 WeakPolarHBondContact CD-ND2 3.4Å; R269-N290 PolarHBondContact NE-ND2 2.97Å; D288-N290 PolarHBondContact O-N 2.78Å; D288-N290 VanDerWaalsContact O-N 3.15Å; D288-N290 VanDerWaalsContact OD1-CA 3.23Å; D288-N290 WeakPolarHBondContact OD1-CA 3.21Å; D288-N290 WeakPolarHBondContact OD1-CB 3.28Å; D288-N290 PolarHBondContact OD1-N 2.76Å; N290-F292 VanDerWaalsContact C-N 3.31Å; N290-F292 HydrophobicContact CB-CD2 3.96Å; N290-F292 HydrophobicContact CB-CE2 4.21Å; N290-F292 WeakPolarHBondContact O-CD2 3.37Å; N290-F292 PolarHBondContact O-N 2.73Å |
| 291 | G | 87.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 74.2 | 13.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G10 H11 T16 D288 | G10-G291 CarbonylContact C-O 3.51Å; G10-G291 WeakPolarHBondContact CA-O 3.49Å; G10-G291 PolarHBondContact N-O 2.56Å; H11-G291 PolarHBondContact N-O 3.18Å; H11-G291 WeakPolarHBondContact O-CA 3.31Å; T16-G291 WeakPolarHBondContact OG1-CA 3.34Å; D288-G291 PolarHBondContact O-N 2.88Å; D288-G291 VanDerWaalsContact O-N 3.1Å; D288-G291 PolarHBondContact OD1-N 3.41Å |
| 292 | F | 90.2 | Very high | 78.4 | Confident | 36 Ų | 36 | 24.5 Ų | 24.5 | 16% | 0.158 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 138.3 | 172.9 | -72 | -105.2 | 0 | 0 | 0 | 110.7 | L7 R8 F9 A287 D288 N290 | L7-F292 HydrophobicContact CB-CB 4.29Å; L7-F292 HydrophobicContact CB-CD1 4.45Å; R8-F292 CarbonylContact O-C 3.57Å; R8-F292 WeakPolarHBondContact O-CA 3.47Å; R8-F292 WeakPolarHBondContact O-CD1 3.5Å; F9-F292 HydrophobicContact CB-CE1 4.37Å; F9-F292 HydrophobicContact CD2-CE2 4.34Å; F9-F292 HydrophobicContact CD2-CZ 4.32Å; A287-F292 CarbonylContact C-O 3.58Å; A287-F292 VanDerWaalsContact CA-O 3.28Å; A287-F292 WeakPolarHBondContact CA-O 3.06Å; D288-F292 PolarHBondContact N-O 2.9Å; D288-F292 PolarHBondContact OD1-N 3.29Å; N290-F292 VanDerWaalsContact C-N 3.31Å; N290-F292 HydrophobicContact CB-CD2 3.96Å; N290-F292 HydrophobicContact CB-CE2 4.21Å; N290-F292 WeakPolarHBondContact O-CD2 3.37Å; N290-F292 PolarHBondContact O-N 2.73Å |
| 293 | V | 91.1 | Very high | 76.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.5 | -177.2 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | R8 T16 I18 T29 W39 F42 L286 A287 | R8-V293 PolarHBondContact N-O 2.97Å; R8-V293 PolarHBondContact O-N 2.94Å; T16-V293 HydrophobicContact CG2-CG1 4.16Å; I18-V293 HydrophobicContact CD1-CG1 4.35Å; T29-V293 HydrophobicContact CG2-CG1 4.46Å; W39-V293 HydrophobicContact CH2-CG2 4.3Å; W39-V293 HydrophobicContact CZ2-CG2 4.04Å; F42-V293 HydrophobicContact CD1-CB 4.41Å; F42-V293 HydrophobicContact CD1-CG2 3.78Å; F42-V293 HydrophobicContact CE1-CB 3.82Å; F42-V293 HydrophobicContact CE1-CG2 3.45Å; F42-V293 VanDerWaalsContact CE1-CG2 3.45Å; F42-V293 HydrophobicContact CE2-CB 4.46Å; F42-V293 HydrophobicContact CZ-CB 3.84Å; F42-V293 HydrophobicContact CZ-CG2 4.02Å; L286-V293 WeakPolarHBondContact O-CA 3.21Å; A287-V293 HydrophobicContact CB-CG1 4.11Å |
| 294 | G | 88.5 | Confident | 73.1 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -178.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F42 L285 L286 | F42-G294 VanDerWaalsContact CD2-CA 3.4Å; L285-G294 WeakPolarHBondContact CA-O 3.41Å; L286-G294 PolarHBondContact N-O 2.92Å; L286-G294 PolarHBondContact O-N 2.97Å; L286-G294 VanDerWaalsContact O-N 3.17Å |
| 295 | G | 87.5 | Confident | 70.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T4 L284 | T4-G295 PolarHBondContact N-O 2.98Å; T4-G295 VanDerWaalsContact N-O 3.09Å; T4-G295 PolarHBondContact OG1-O 3.43Å; L284-G295 CarbonylContact O-C 3.6Å; L284-G295 WeakPolarHBondContact O-CA 3.39Å |
| 296 | L | 83.5 | Confident | 67.1 | Low | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.3 | 178.2 | -175.5 | 60.6 | 0 | 0 | 0 | 109.4 | F3 I249 F261 L284 L286 S298 | F3-L296 HydrophobicContact CD1-CD1 4.3Å; F3-L296 HydrophobicContact CD2-CD1 4.26Å; F3-L296 HydrophobicContact CE2-CD1 4.43Å; F3-L296 HydrophobicContact CG-CD1 4.14Å; I249-L296 HydrophobicContact CD1-CD2 3.63Å; F261-L296 HydrophobicContact CE1-CD2 3.76Å; F261-L296 HydrophobicContact CE1-CG 4.17Å; F261-L296 HydrophobicContact CZ-CD1 4.32Å; F261-L296 HydrophobicContact CZ-CD2 4.24Å; F261-L296 HydrophobicContact CZ-CG 4.36Å; L284-L296 PolarHBondContact N-O 2.67Å; L284-L296 PolarHBondContact O-N 2.74Å; L286-L296 HydrophobicContact CD2-CB 4.04Å; L286-L296 HydrophobicContact CD2-CD2 4.35Å; L296-S298 PolarHBondContact O-N 3.36Å |
| 297 | Q | 78 | Confident | 63.9 | Low | 55 Ų | 55 | 55.3 Ų | 55.3 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 104.4 | 179.7 | -154 | 70.2 | -4 | 0 | 0 | 110.2 | T4 N280 A282 | T4-Q297 HydrophobicContact CG2-CB 3.64Å; T4-Q297 HydrophobicContact CG2-CG 4.45Å; N280-Q297 PolarHBondContact OD1-NE2 2.49Å; A282-Q297 HydrophobicContact CB-CG 4.35Å; A282-Q297 VanDerWaalsContact CB-NE2 3.25Å |
| 298 | S | 64.6 | Low | 60.9 | Low | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 135.9 | 163.9 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | R239 A282 L296 A300 | R239-S298 PolarHBondContact NH1-OG 3.03Å; A282-S298 WeakPolarHBondContact CB-O 3.38Å; A282-S298 WeakPolarHBondContact O-CA 3.35Å; A282-S298 WeakPolarHBondContact O-CB 3.21Å; A282-S298 PolarHBondContact O-N 3.47Å; L296-S298 PolarHBondContact O-N 3.36Å; S298-A300 PolarHBondContact O-N 3.42Å |
| 299 | V | 55.2 | Low | 58.1 | Low | 61 Ų | 61 | 69.8 Ų | 69.8 | 37% | 0.37 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 132.6 | -179.1 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | M1 R239 | M1-V299 HydrophobicContact CE-CG2 4.33Å; R239-V299 VanDerWaalsContact CZ-O 3.29Å; R239-V299 PolarHBondContact NH1-O 2.98Å; R239-V299 PolarHBondContact NH2-O 2.93Å |
| 300 | A | 50.3 | Low | 55.2 | Low | 71 Ų | 71 | 72.7 Ų | 72.7 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 141.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S298 T302 | S298-A300 PolarHBondContact O-N 3.42Å; A300-T302 PolarHBondContact O-N 3.05Å; A300-T302 VanDerWaalsContact O-N 3.16Å |
| 301 | A | 37.9 | Very low | 52.3 | Low | 57 Ų | 57 | 76.6 Ų | 76.6 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 128.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | E303 | A301-E303 PolarHBondContact O-N 3.47Š|
| 302 | T | 31.4 | Very low | 49.6 | Very low | 115 Ų | 115 | 83.4 Ų | 83.4 | 71% | 0.706 | 48% | 0.476 | S | S | * | . | trans | -66.2 | 100.8 | 179 | 49.4 | 0 | 0 | 0 | 0 | 108.1 | A300 K304 | A300-T302 PolarHBondContact O-N 3.05Å; A300-T302 VanDerWaalsContact O-N 3.16Å; T302-K304 PolarHBondContact O-N 3.25Å | ||
| 303 | E | 30.1 | Very low | 46.6 | Very low | 146 Ų | 146 | 88.8 Ų | 88.8 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | trans | -58.1 | 89.5 | 153.9 | -70.6 | -170.5 | 174.6 | 0 | 0 | 106.4 | A301 P305 | A301-E303 PolarHBondContact O-N 3.47Å; E303-P305 WeakPolarHBondContact O-CD 3.49Å | ||
| 304 | K | 24.7 | Very low | 43.7 | Very low | 170 Ų | 170 | 94.2 Ų | 94.2 | 74% | 0.739 | 54% | 0.544 | S | S | * | . | trans | -69.2 | 110.1 | 160.3 | -76.5 | -176.9 | 178.9 | 174.6 | 0 | 104.9 | T302 V306 | T302-K304 PolarHBondContact O-N 3.25Å; K304-V306 PolarHBondContact O-N 3.43Å; K304-V306 VanDerWaalsContact O-N 3.11Å | ||
| 305 | P | 25.8 | Very low | 41.1 | Very low | 91 Ų | 91 | 101.1 Ų | 101.1 | 59% | 0.591 | 58% | 0.58 | S | S | * | * | trans | -61.5 | 123 | 167.3 | 29 | -33.5 | 0 | 0 | 0 | 106.1 | E303 N307 | E303-P305 WeakPolarHBondContact O-CD 3.49Å; P305-N307 PolarHBondContact O-N 2.85Å | ||
| 306 | V | 29.3 | Very low | 38.5 | Very low | 131 Ų | 131 | 110 Ų | 110 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | trans | -75.1 | 69.6 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 107.1 | K304 N308 | K304-V306 PolarHBondContact O-N 3.43Å; K304-V306 VanDerWaalsContact O-N 3.11Å; V306-N308 PolarHBondContact O-N 2.84Å | ||
| 307 | N | 26.9 | Very low | 36.1 | Very low | 139 Ų | 139 | 114.5 Ų | 114.5 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -75 | 75.4 | 173.5 | -79.9 | -3.6 | 0 | 0 | 0 | 108.6 | P305 | P305-N307 PolarHBondContact O-N 2.85Š| ||
| 308 | N | 29 | Very low | 34 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -136 | 76.6 | 169.3 | -97 | -15 | 0 | 0 | 0 | 109 | V306 | V306-N308 PolarHBondContact O-N 2.84Š| ||
| 309 | I | 31.7 | Very low | 32.2 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -147.9 | 137.9 | 137.2 | -85.3 | 123.6 | 0 | 0 | 0 | 106.3 | ||
| 310 | P | 27.6 | Very low | 31.1 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | trans | -84.9 | 162.3 | -160.8 | -11.5 | 30.6 | 0 | 0 | 0 | 114.6 | I312 | P310-I312 PolarHBondContact O-N 3.11Š| ||
| 311 | S | 26.3 | Very low | 30 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -53.6 | 118.1 | 170.2 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 312 | I | 31.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -130.1 | 127 | 168.3 | -74.4 | -178.1 | 0 | 0 | 0 | 107.4 | P310 | P310-I312 PolarHBondContact O-N 3.11Š| ||
| 313 | L | 28.4 | Very low | 29.6 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | 66.3 | 67.9 | 168.7 | -59.7 | 166.4 | 0 | 0 | 0 | 117.5 | ||||
| 314 | S | 29.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | -76.6 | 114.7 | 120.1 | 57.7 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 315 | N | 33.6 | Very low | 30.2 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -166 | 150.1 | 152 | -99.8 | -8.3 | 0 | 0 | 0 | 109.4 | ||||
| 316 | E | 33.4 | Very low | 30.7 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -86.5 | 165.8 | -163.1 | -58.7 | 165.6 | 135.3 | 0 | 0 | 113.6 | ||||
| 317 | A | 33.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 98.1 | 141.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 318 | E | 34.5 | Very low | 31.2 | Very low | 189 Ų | 189 | 143.1 Ų | 143.1 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | 79.7 | 97.9 | 161.7 | -57.4 | -174 | 175.7 | 0 | 0 | 119 | ||||
| 319 | E | 26 | Very low | 31.8 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 155.5 | 155.1 | -63.9 | -170.8 | 159.7 | 0 | 0 | 111.3 | ||||
| 320 | P | 31.9 | Very low | 32.2 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | -134.8 | 143.2 | 120.4 | 35.9 | -26.9 | 0 | 0 | 0 | 113.8 | |||||
| 321 | A | 27.5 | Very low | 32.8 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 135.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 322 | V | 33.7 | Very low | 33.7 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 76% | 0.758 | 81% | 0.812 | S | S | * | * | trans | -137.2 | 116.7 | 157.1 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 323 | S | 26.6 | Very low | 34.3 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -81.4 | 133.4 | 174.4 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 324 | H | 34.4 | Very low | 35 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -136.9 | 129.7 | 156 | -83.7 | -60 | 0 | 0 | 0 | 111.5 | ||||
| 325 | E | 34 | Very low | 35.8 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 146.4 | -173.3 | -60.1 | 163 | 131.2 | 0 | 0 | 111.4 | ||
| 326 | L | 34.8 | Very low | 36 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 135.9 | 164.2 | -76.3 | 168.3 | 0 | 0 | 0 | 109.2 | L328 | L326-L328 PolarHBondContact O-N 3.03Š|
| 327 | P | 34.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 133.2 | -176.7 | -19.8 | 31.9 | 0 | 0 | 0 | 112.7 | I329 | P327-I329 PolarHBondContact O-N 3.22Š|
| 328 | L | 33.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126.2 | 161.4 | -74.7 | 156.6 | 0 | 0 | 0 | 109.3 | L326 | L326-L328 PolarHBondContact O-N 3.03Š|
| 329 | I | 40.9 | Very low | 38.2 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -110.5 | 113.7 | 163.2 | -61.5 | 178 | 0 | 0 | 0 | 105.9 | P327 | P327-I329 PolarHBondContact O-N 3.22Š| ||
| 330 | S | 40.9 | Very low | 39.9 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -78.8 | 146.4 | 178.1 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 331 | D | 39 | Very low | 41.4 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -59.3 | 134.1 | 167.4 | -64.4 | -54.3 | 0 | 0 | 0 | 111.1 | ||||
| 332 | D | 45.3 | Very low | 42.9 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -157.2 | 128.8 | 147.4 | -123.2 | -13.8 | 0 | 0 | 0 | 111.1 | ||||
| 333 | E | 43.5 | Very low | 44.1 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | 44.7 | 111.2 | 149 | -68.3 | -72.7 | 138 | 0 | 0 | 121.4 | ||||
| 334 | N | 44.3 | Very low | 45.5 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 49.4 | 98 | 134.7 | -78.3 | -50.7 | 0 | 0 | 0 | 119.9 | ||||
| 335 | S | 45.7 | Very low | 46.8 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | -169.5 | 154.2 | 122.3 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 336 | T | 38.5 | Very low | 47.7 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -88.7 | 109.6 | -176.8 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 337 | D | 47.2 | Very low | 48.3 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | 173.2 | 111.8 | 134.4 | -97.7 | -24.5 | 0 | 0 | 0 | 110.7 | D339 | D337-D339 VanDerWaalsContact C-N 3.35Å; D337-D339 PolarHBondContact O-N 2.94Å | ||
| 338 | F | 45.5 | Very low | 49 | Very low | 201 Ų | 201 | 131.7 Ų | 131.7 | 88% | 0.882 | 70% | 0.703 | S | S | * | * | trans | -82.4 | 80.4 | 173.4 | -98.9 | -87 | 0 | 0 | 0 | 110.7 | I340 | F338-I340 PolarHBondContact O-N 2.93Š| ||
| 339 | D | 54.3 | Low | 49.6 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 50% | 0.503 | 69% | 0.687 | S | S | . | * | trans | -75.4 | 90.3 | -177.9 | -163.7 | -9.1 | 0 | 0 | 0 | 112 | D337 S341 K342 | D337-D339 VanDerWaalsContact C-N 3.35Å; D337-D339 PolarHBondContact O-N 2.94Å; D339-S341 PolarHBondContact O-N 2.92Å; D339-S341 VanDerWaalsContact OD1-CB 3.27Å; D339-S341 WeakPolarHBondContact OD1-CB 3.36Å; D339-S341 PolarHBondContact OD1-N 3.38Å; D339-S341 PolarHBondContact OD1-OG 2.88Å; D339-S341 PolarHBondContact OD2-OG 3.13Å; D339-K342 PolarHBondContact O-N 3.22Å; D339-K342 VanDerWaalsContact O-N 3.08Å | ||
| 340 | I | 60.2 | Low | 49.6 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -51.4 | -23.1 | 177.6 | -79 | 172.1 | 0 | 0 | 0 | 112.9 | F338 K342 I343 K344 | F338-I340 PolarHBondContact O-N 2.93Å; I340-K342 VanDerWaalsContact C-N 3.35Å; I340-K342 PolarHBondContact O-N 3.5Å; I340-I343 PolarHBondContact O-N 2.99Å; I340-K344 HydrophobicContact CG2-CD 4.4Å; I340-K344 PolarHBondContact O-N 3.28Å |
| 341 | S | 63.6 | Low | 49.7 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -61.3 | -39.3 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | D339 K344 S345 | D339-S341 PolarHBondContact O-N 2.92Å; D339-S341 VanDerWaalsContact OD1-CB 3.27Å; D339-S341 WeakPolarHBondContact OD1-CB 3.36Å; D339-S341 PolarHBondContact OD1-N 3.38Å; D339-S341 PolarHBondContact OD1-OG 2.88Å; D339-S341 PolarHBondContact OD2-OG 3.13Å; S341-K344 PolarHBondContact O-N 3.39Å; S341-S345 PolarHBondContact O-N 3.45Å |
| 342 | K | 59 | Low | 49.6 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 64% | 0.635 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.6 | -40.4 | 179.5 | -92.6 | 176.1 | 176.2 | 168.2 | 0 | 112.9 | D339 I340 K344 S345 T346 | D339-K342 PolarHBondContact O-N 3.22Å; D339-K342 VanDerWaalsContact O-N 3.08Å; I340-K342 VanDerWaalsContact C-N 3.35Å; I340-K342 PolarHBondContact O-N 3.5Å; K342-K344 VanDerWaalsContact C-N 3.31Å; K342-K344 PolarHBondContact O-N 3.35Å; K342-S345 WeakPolarHBondContact CA-OG 3.3Å; K342-S345 PolarHBondContact O-N 3.16Å; K342-S345 PolarHBondContact O-OG 3.28Å; K342-T346 PolarHBondContact O-N 3.07Å; K342-T346 PolarHBondContact O-OG1 3.48Å |
| 343 | I | 59.5 | Low | 49.3 | Very low | 103 Ų | 103 | 125 Ų | 125 | 53% | 0.528 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -64.3 | -42.3 | 178.7 | -58.6 | 178.1 | 0 | 0 | 0 | 109.5 | I340 Y347 | I340-I343 PolarHBondContact O-N 2.99Å; I343-Y347 PolarHBondContact O-N 3.38Å |
| 344 | K | 56.3 | Low | 48.9 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 63% | 0.63 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -62.2 | -48 | 173.7 | -75.6 | -177.9 | 174.9 | 178.8 | 0 | 112.3 | I340 S341 K342 T346 Y347 S348 | I340-K344 HydrophobicContact CG2-CD 4.4Å; I340-K344 PolarHBondContact O-N 3.28Å; S341-K344 PolarHBondContact O-N 3.39Å; K342-K344 VanDerWaalsContact C-N 3.31Å; K342-K344 PolarHBondContact O-N 3.35Å; K344-T346 VanDerWaalsContact C-N 3.3Å; K344-T346 PolarHBondContact O-N 3Å; K344-Y347 PolarHBondContact O-N 3.06Å; K344-S348 WeakPolarHBondContact O-CB 3.35Å; K344-S348 PolarHBondContact O-N 2.97Å; K344-S348 PolarHBondContact O-OG 2.82Å; K344-S348 VanDerWaalsContact O-OG 3.11Å |
| 345 | S | 61 | Low | 48.3 | Very low | 68 Ų | 68 | 123.2 Ų | 123.2 | 48% | 0.476 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -61.4 | -38.1 | -179.3 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | S341 K342 S348 A349 | S341-S345 PolarHBondContact O-N 3.45Å; K342-S345 WeakPolarHBondContact CA-OG 3.3Å; K342-S345 PolarHBondContact O-N 3.16Å; K342-S345 PolarHBondContact O-OG 3.28Å; S345-S348 PolarHBondContact O-N 3.17Å; S345-A349 WeakPolarHBondContact O-CB 3.42Å; S345-A349 PolarHBondContact O-N 3.35Å; S345-A349 VanDerWaalsContact O-N 3.16Å |
| 346 | T | 52.8 | Low | 47.7 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.4 | -34.3 | -178.7 | -45.2 | 0 | 0 | 0 | 0 | 112.2 | K342 K344 | K342-T346 PolarHBondContact O-N 3.07Å; K342-T346 PolarHBondContact O-OG1 3.48Å; K344-T346 VanDerWaalsContact C-N 3.3Å; K344-T346 PolarHBondContact O-N 3Å |
| 347 | Y | 48.9 | Very low | 47.5 | Very low | 188 Ų | 188 | 122.3 Ų | 122.3 | 74% | 0.737 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.5 | -35.6 | 174.5 | -92.6 | -88.6 | 0 | 0 | 0 | 113.2 | I343 K344 A349 | I343-Y347 PolarHBondContact O-N 3.38Å; K344-Y347 PolarHBondContact O-N 3.06Å; Y347-A349 PolarHBondContact O-N 3.33Å |
| 348 | S | 47.8 | Very low | 46.9 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.7 | -27.8 | 179.3 | -63.8 | 0 | 0 | 0 | 0 | 113.8 | K344 S345 | K344-S348 WeakPolarHBondContact O-CB 3.35Å; K344-S348 PolarHBondContact O-N 2.97Å; K344-S348 PolarHBondContact O-OG 2.82Å; K344-S348 VanDerWaalsContact O-OG 3.11Å; S345-S348 PolarHBondContact O-N 3.17Å |
| 349 | A | 46.5 | Very low | 46.3 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 59% | 0.587 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -5.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S345 Y347 | S345-A349 WeakPolarHBondContact O-CB 3.42Å; S345-A349 PolarHBondContact O-N 3.35Å; S345-A349 VanDerWaalsContact O-N 3.16Å; Y347-A349 PolarHBondContact O-N 3.33Å |
| 350 | R | 41.2 | Very low | 45.6 | Very low | 205 Ų | 205 | 120 Ų | 120 | 77% | 0.774 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 4.1 | 179.6 | -77.8 | -174.5 | 172.4 | 171.6 | -1.5 | 114.7 | ||
| 351 | V | 42.7 | Very low | 44.6 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 76% | 0.758 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -93.4 | -8 | -175.6 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 352 | S | 36.7 | Very low | 43.8 | Very low | 85 Ų | 85 | 125.1 Ų | 125.1 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -91.1 | -19.7 | -169.8 | 46.9 | 0 | 0 | 0 | 0 | 117.1 | ||
| 353 | D | 40.3 | Very low | 43.3 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -131.3 | 45.3 | -162.7 | -64.1 | -73.6 | 0 | 0 | 0 | 114.5 | ||
| 354 | L | 33.9 | Very low | 43.6 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 81% | 0.806 | 68% | 0.684 | S | S | * | * | trans | -127 | 108.8 | 170.2 | -79.9 | 165.3 | 0 | 0 | 0 | 111.1 | ||||
| 355 | P | 32.1 | Very low | 44 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 63% | 0.63 | 69% | 0.687 | S | S | * | * | trans | -76.2 | -177.3 | 155.3 | 36.2 | -32.9 | 0 | 0 | 0 | 109.9 | ||||
| 356 | D | 32.9 | Very low | 44.2 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | trans | 71.3 | 155.8 | -177.9 | -49 | -31.6 | 0 | 0 | 0 | 113.9 | ||||
| 357 | A | 34.1 | Very low | 44.8 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 65% | 0.653 | 70% | 0.7 | S | S | * | * | cis | -179.4 | 149.1 | -29.5 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 358 | S | 34.6 | Very low | 45.4 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | trans | 50.6 | 107.1 | 164.3 | 49.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 359 | T | 32.8 | Very low | 46.2 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 83% | 0.828 | 68% | 0.677 | S | S | * | * | trans | 38.8 | 102.3 | 134.5 | 54.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 360 | D | 39.4 | Very low | 46.8 | Very low | 162 Ų | 162 | 121 Ų | 121 | 87% | 0.866 | 67% | 0.671 | S | S | * | * | trans | -148.8 | 154.5 | 140.8 | -131.1 | -24.1 | 0 | 0 | 0 | 113 | Q362 | D360-Q362 PolarHBondContact O-N 2.91Š| ||
| 361 | S | 40.7 | Very low | 47.5 | Very low | 112 Ų | 112 | 115.6 Ų | 115.6 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | trans | -84.4 | 102.2 | -163.8 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 362 | Q | 46.8 | Very low | 48.4 | Very low | 179 Ų | 179 | 115 Ų | 115 | 84% | 0.836 | 65% | 0.649 | S | S | * | * | trans | -98.5 | 128.1 | 164.2 | -64.5 | -171.6 | 1 | 0 | 0 | 111.3 | D360 T364 | D360-Q362 PolarHBondContact O-N 2.91Å; Q362-T364 PolarHBondContact O-N 2.87Å | ||
| 363 | L | 48.1 | Very low | 49.3 | Very low | 104 Ų | 104 | 118 Ų | 118 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | trans | -68.8 | 115.2 | 166.9 | -103.9 | 85.3 | 0 | 0 | 0 | 108.7 | L368 L371 | L363-L368 HydrophobicContact CB-CG 4.43Å; L363-L368 HydrophobicContact CD2-CD2 3.77Å; L363-L368 HydrophobicContact CD2-CG 3.93Å; L363-L371 HydrophobicContact CD2-CD1 3.74Å | ||
| 364 | T | 66.6 | Low | 49.9 | Very low | 67 Ų | 67 | 116.4 Ų | 116.4 | 41% | 0.411 | 64% | 0.643 | S | S | . | * | trans | -65.1 | 150.8 | 169.9 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | Q362 E366 K367 L368 | Q362-T364 PolarHBondContact O-N 2.87Å; T364-E366 PolarHBondContact O-N 3.25Å; T364-K367 WeakPolarHBondContact O-CB 3.46Å; T364-K367 PolarHBondContact O-N 3.48Å; T364-K367 PolarHBondContact OG1-N 3.07Å; T364-L368 PolarHBondContact O-N 2.86Å | ||
| 365 | T | 64.8 | Low | 50.6 | Low | 111 Ų | 111 | 117.1 Ų | 117.1 | 68% | 0.681 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.2 | -33.4 | 173.1 | 44 | 0 | 0 | 0 | 0 | 112 | L368 V369 | T365-L368 PolarHBondContact O-N 3.36Å; T365-V369 WeakPolarHBondContact O-CG2 3.32Å; T365-V369 PolarHBondContact O-N 3.31Å |
| 366 | E | 65.3 | Low | 51.4 | Low | 154 Ų | 154 | 118.8 Ų | 118.8 | 72% | 0.72 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.3 | -43.7 | 173.1 | -61.2 | 179.3 | 154.5 | 0 | 0 | 112.8 | T364 V369 L370 | T364-E366 PolarHBondContact O-N 3.25Å; E366-V369 PolarHBondContact O-N 3.12Å; E366-L370 WeakPolarHBondContact O-CB 3.49Å; E366-L370 PolarHBondContact O-N 3.25Å |
| 367 | K | 65.5 | Low | 52.2 | Low | 126 Ų | 126 | 115.3 Ų | 115.3 | 55% | 0.548 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.4 | -38.4 | 174.4 | -77.7 | -179.8 | 177.8 | 178.7 | 0 | 111.8 | T364 L370 L371 | T364-K367 WeakPolarHBondContact O-CB 3.46Å; T364-K367 PolarHBondContact O-N 3.48Å; T364-K367 PolarHBondContact OG1-N 3.07Å; K367-L370 PolarHBondContact O-N 3.1Å; K367-L371 WeakPolarHBondContact O-CB 3.3Å; K367-L371 WeakPolarHBondContact O-CG 3.35Å; K367-L371 PolarHBondContact O-N 2.85Å |
| 368 | L | 59.9 | Low | 53.1 | Low | 82 Ų | 82 | 112.4 Ų | 112.4 | 43% | 0.429 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.7 | -43.5 | 172.9 | -79.1 | 168.5 | 0 | 0 | 0 | 111.8 | L363 T364 T365 L370 L371 L372 | L363-L368 HydrophobicContact CB-CG 4.43Å; L363-L368 HydrophobicContact CD2-CD2 3.77Å; L363-L368 HydrophobicContact CD2-CG 3.93Å; T364-L368 PolarHBondContact O-N 2.86Å; T365-L368 PolarHBondContact O-N 3.36Å; L368-L370 VanDerWaalsContact C-N 3.32Å; L368-L370 PolarHBondContact O-N 3.31Å; L368-L371 PolarHBondContact O-N 3.43Å; L368-L372 VanDerWaalsContact O-CB 3.28Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 WeakPolarHBondContact O-CD1 3.43Å; L368-L372 VanDerWaalsContact O-CG 3.24Å; L368-L372 WeakPolarHBondContact O-CG 3.38Å; L368-L372 PolarHBondContact O-N 2.64Å |
| 369 | V | 65.3 | Low | 54.3 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 47% | 0.467 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.6 | -35.4 | 175 | 169 | 0 | 0 | 0 | 0 | 111.6 | T365 E366 K373 | T365-V369 WeakPolarHBondContact O-CG2 3.32Å; T365-V369 PolarHBondContact O-N 3.31Å; E366-V369 PolarHBondContact O-N 3.12Å; V369-K373 HydrophobicContact CG1-CD 4.34Å; V369-K373 WeakPolarHBondContact O-CB 3.32Å; V369-K373 VanDerWaalsContact O-CG 3.29Å; V369-K373 WeakPolarHBondContact O-CG 3.47Å; V369-K373 PolarHBondContact O-N 2.96Å |
| 370 | L | 59.8 | Low | 55.9 | Low | 86 Ų | 86 | 113.7 Ų | 113.7 | 45% | 0.45 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.9 | -45.4 | 174.9 | -151.9 | 79.7 | 0 | 0 | 0 | 111.6 | E366 K367 L368 L372 K373 N374 | E366-L370 WeakPolarHBondContact O-CB 3.49Å; E366-L370 PolarHBondContact O-N 3.25Å; K367-L370 PolarHBondContact O-N 3.1Å; L368-L370 VanDerWaalsContact C-N 3.32Å; L368-L370 PolarHBondContact O-N 3.31Å; L370-L372 PolarHBondContact O-N 2.97Å; L370-K373 PolarHBondContact O-N 3.05Å; L370-N374 PolarHBondContact O-N 3.13Å; L370-N374 VanDerWaalsContact O-N 3.1Å |
| 371 | L | 56.2 | Low | 57.6 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.4 | -41.5 | 174.2 | -76.4 | 163 | 0 | 0 | 0 | 112 | L363 K367 L368 N374 W375 | L363-L371 HydrophobicContact CD2-CD1 3.74Å; K367-L371 WeakPolarHBondContact O-CB 3.3Å; K367-L371 WeakPolarHBondContact O-CG 3.35Å; K367-L371 PolarHBondContact O-N 2.85Å; L368-L371 PolarHBondContact O-N 3.43Å; L371-N374 PolarHBondContact O-N 3.48Å; L371-W375 PolarHBondContact O-N 2.77Å; L371-W375 VanDerWaalsContact O-N 3.07Å |
| 372 | L | 60.2 | Low | 59.7 | Low | 113 Ų | 113 | 110.5 Ų | 110.5 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.2 | -27.6 | 176.7 | -73.4 | 166.3 | 0 | 0 | 0 | 113 | L368 L370 N374 W375 | L368-L372 VanDerWaalsContact O-CB 3.28Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 WeakPolarHBondContact O-CD1 3.43Å; L368-L372 VanDerWaalsContact O-CG 3.24Å; L368-L372 WeakPolarHBondContact O-CG 3.38Å; L368-L372 PolarHBondContact O-N 2.64Å; L370-L372 PolarHBondContact O-N 2.97Å; L372-N374 VanDerWaalsContact C-N 3.35Å; L372-W375 WeakPolarHBondContact O-CB 3.29Å; L372-W375 PolarHBondContact O-N 2.91Å |
| 373 | K | 56.5 | Low | 61.9 | Low | 146 Ų | 146 | 103.9 Ų | 103.9 | 64% | 0.635 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.2 | -32 | 169.7 | -81.8 | 175.9 | 176.6 | -177 | 0 | 112.6 | V369 L370 W375 | V369-K373 HydrophobicContact CG1-CD 4.34Å; V369-K373 WeakPolarHBondContact O-CB 3.32Å; V369-K373 VanDerWaalsContact O-CG 3.29Å; V369-K373 WeakPolarHBondContact O-CG 3.47Å; V369-K373 PolarHBondContact O-N 2.96Å; L370-K373 PolarHBondContact O-N 3.05Å; K373-W375 VanDerWaalsContact C-N 3.3Å |
| 374 | N | 52.7 | Low | 64 | Low | 104 Ų | 104 | 101 Ų | 101 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -79.4 | -13.8 | 173.8 | -66.5 | -8.6 | 0 | 0 | 0 | 112.4 | L370 L371 L372 Q376 | L370-N374 PolarHBondContact O-N 3.13Å; L370-N374 VanDerWaalsContact O-N 3.1Å; L371-N374 PolarHBondContact O-N 3.48Å; L372-N374 VanDerWaalsContact C-N 3.35Å; N374-Q376 VanDerWaalsContact C-N 3.31Å; N374-Q376 PolarHBondContact O-N 2.93Å |
| 375 | W | 47.4 | Very low | 65.3 | Low | 169 Ų | 169 | 98.4 Ų | 98.4 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | trans | -73.2 | 81.2 | 167.8 | -99.3 | 64.3 | 0 | 0 | 0 | 111.2 | L371 L372 K373 | L371-W375 PolarHBondContact O-N 2.77Å; L371-W375 VanDerWaalsContact O-N 3.07Å; L372-W375 WeakPolarHBondContact O-CB 3.29Å; L372-W375 PolarHBondContact O-N 2.91Å; K373-W375 VanDerWaalsContact C-N 3.3Å | ||
| 376 | Q | 50.2 | Low | 66.7 | Low | 132 Ų | 132 | 93.3 Ų | 93.3 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | trans | -91.5 | 107.8 | 160.6 | -67.7 | -171.1 | -13.7 | 0 | 0 | 109 | N374 S378 | N374-Q376 VanDerWaalsContact C-N 3.31Å; N374-Q376 PolarHBondContact O-N 2.93Å; Q376-S378 PolarHBondContact O-N 2.82Å | ||
| 377 | S | 48.9 | Very low | 68 | Low | 86 Ų | 86 | 86.1 Ų | 86.1 | 60% | 0.601 | 43% | 0.432 | S | S | * | . | trans | -60.7 | 125.5 | 166.9 | 56 | 0 | 0 | 0 | 0 | 109 | L379 | S377-L379 PolarHBondContact O-N 3.03Š| ||
| 378 | S | 54.2 | Low | 69.4 | Low | 17 Ų | 17 | 82 Ų | 82 | 12% | 0.119 | 42% | 0.419 | C | S | . | . | trans | -61.3 | 136.9 | 172.2 | 53.7 | 0 | 0 | 0 | 0 | 110 | Q376 L380 A545 D549 | Q376-S378 PolarHBondContact O-N 2.82Å; S378-L380 PolarHBondContact O-N 2.92Å; S378-L380 VanDerWaalsContact O-N 3.09Å; S378-A545 PolarHBondContact OG-O 3.42Å; S378-D549 WeakPolarHBondContact CB-O 3.45Å; S378-D549 PolarHBondContact OG-O 2.91Å | ||
| 379 | L | 58.9 | Low | 71 | Confident | 165 Ų | 165 | 78.7 Ų | 78.7 | 86% | 0.864 | 40% | 0.402 | S | S | * | . | trans | -66.1 | 111.1 | 176.2 | -72.3 | 169.2 | 0 | 0 | 0 | 107.8 | S377 P381 | S377-L379 PolarHBondContact O-N 3.03Å; L379-P381 WeakPolarHBondContact O-CD 3.39Å | ||
| 380 | L | 67.4 | Low | 72 | Confident | 103 Ų | 103 | 78.8 Ų | 78.8 | 54% | 0.539 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 120.4 | 179.5 | -69.4 | 170.4 | 0 | 0 | 0 | 110.1 | S378 K382 | S378-L380 PolarHBondContact O-N 2.92Å; S378-L380 VanDerWaalsContact O-N 3.09Å; L380-K382 PolarHBondContact O-N 3.06Å |
| 381 | P | 74.4 | Confident | 73.1 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 17% | 0.169 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 128.9 | 172.8 | -29.9 | 30.6 | 0 | 0 | 0 | 112.7 | L379 V527 H541 V550 | L379-P381 WeakPolarHBondContact O-CD 3.39Å; P381-V527 HydrophobicContact CB-CG1 4.41Å; P381-H541 VanDerWaalsContact CD-CE1 3.5Å; P381-H541 WeakPolarHBondContact CD-CE1 3.4Å; P381-H541 PolarHBondContact O-CE1 3.27Å; P381-H541 VanDerWaalsContact O-CE1 3.31Å; P381-H541 PolarHBondContact O-NE2 3.09Å; P381-V550 HydrophobicContact CG-CG1 3.75Å; P381-V550 HydrophobicContact CG-CG2 3.94Å |
| 382 | K | 85.7 | Confident | 73.9 | Confident | 181 Ų | 181 | 76.4 Ų | 76.4 | 79% | 0.787 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 151.6 | 172.3 | -68.4 | -176.6 | 179.3 | 179.4 | 0 | 110 | L380 | L380-K382 PolarHBondContact O-N 3.06Š|
| 383 | P | 91.5 | Very high | 74.3 | Confident | 40 Ų | 40 | 79.1 Ų | 79.1 | 26% | 0.26 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 141 | 172.6 | 25.7 | -34.2 | 0 | 0 | 0 | 110.8 | Q489 V527 | P383-Q489 HydrophobicContact CB-CB 4.08Å; P383-Q489 HydrophobicContact CG-CB 4.08Å; P383-Q489 HydrophobicContact CG-CG 4.32Å; P383-V527 CarbonylContact C-O 3.5Å; P383-V527 VanDerWaalsContact CA-O 3.24Å; P383-V527 WeakPolarHBondContact CA-O 3.3Å |
| 384 | F | 93.3 | Very high | 75.4 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 19% | 0.189 | 39% | 0.394 | C | S | . | . | trans | -144 | 157.3 | 178.2 | 75.3 | -87 | 0 | 0 | 0 | 112 | P386 V527 A528 L586 T587 | F384-P386 HydrophobicContact CE2-CG 4.32Å; F384-V527 HydrophobicContact CD1-CG1 4.23Å; F384-V527 WeakPolarHBondContact CD1-O 3.5Å; F384-V527 HydrophobicContact CE1-CG1 3.88Å; F384-V527 PolarHBondContact N-O 2.94Å; F384-A528 HydrophobicContact CD1-CB 4.23Å; F384-A528 HydrophobicContact CE1-CB 3.87Å; F384-A528 HydrophobicContact CE2-CB 4.23Å; F384-A528 HydrophobicContact CZ-CB 3.86Å; F384-L586 HydrophobicContact CE1-CG 4.49Å; F384-L586 WeakPolarHBondContact CE1-O 3.49Å; F384-L586 HydrophobicContact CZ-CG 4.26Å; F384-T587 WeakPolarHBondContact CE2-O 3.39Å | ||
| 385 | N | 93.2 | Very high | 77.2 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | trans | -93.1 | 121 | 175.5 | -174.2 | 21.1 | 0 | 0 | 0 | 110 | G387 S388 M398 K399 I442 G443 | N385-G387 PolarHBondContact O-N 2.98Å; N385-S388 WeakPolarHBondContact O-CB 3.18Å; N385-S388 PolarHBondContact O-N 3.05Å; N385-S388 PolarHBondContact O-OG 2.78Å; N385-M398 PolarHBondContact ND2-O 2.81Å; N385-K399 WeakPolarHBondContact ND2-CD 3.37Å; N385-K399 PolarHBondContact OD1-NZ 2.79Å; N385-I442 HydrophobicContact CB-CG2 4.42Å; N385-G443 PolarHBondContact ND2-O 3.34Å | ||
| 386 | P | 94.5 | Very high | 79.3 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 125.9 | 179.7 | -26 | 35.9 | 0 | 0 | 0 | 111.2 | F384 K399 A528 M529 L589 | F384-P386 HydrophobicContact CE2-CG 4.32Å; P386-K399 WeakPolarHBondContact O-CD 3.39Å; P386-K399 WeakPolarHBondContact O-CE 3.29Å; P386-K399 PolarHBondContact O-NZ 3.14Å; P386-A528 HydrophobicContact CG-CB 4.05Å; P386-M529 VanDerWaalsContact CD-O 3.31Å; P386-M529 WeakPolarHBondContact CD-O 3.33Å; P386-M529 WeakPolarHBondContact CG-O 3.4Å; P386-L589 HydrophobicContact CB-CG 4.41Å; P386-L589 VanDerWaalsContact CB-O 3.24Å; P386-L589 WeakPolarHBondContact CB-O 3.19Å; P386-L589 HydrophobicContact CG-CD1 3.81Å; P386-L589 HydrophobicContact CG-CG 3.7Å |
| 387 | G | 93.3 | Very high | 81.4 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 16.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | N385 K399 W400 W632 | N385-G387 PolarHBondContact O-N 2.98Å; G387-K399 CarbonylContact O-C 3.41Å; G387-K399 VanDerWaalsContact O-C 3.31Å; G387-K399 WeakPolarHBondContact O-CA 3.28Å; G387-W400 PolarHBondContact O-N 2.78Å; G387-W632 WeakPolarHBondContact O-CH2 3.25Å |
| 388 | S | 94.2 | Very high | 83.5 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | trans | -96.5 | 160 | 167.9 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | N385 Y397 M398 | N385-S388 WeakPolarHBondContact O-CB 3.18Å; N385-S388 PolarHBondContact O-N 3.05Å; N385-S388 PolarHBondContact O-OG 2.78Å; S388-Y397 CarbonylContact C-O 3.6Å; S388-Y397 VanDerWaalsContact CA-O 3.23Å; S388-Y397 WeakPolarHBondContact CA-O 3.34Å; S388-Y397 WeakPolarHBondContact CB-O 3.2Å; S388-M398 VanDerWaalsContact CB-O 3.32Å; S388-M398 WeakPolarHBondContact CB-O 3.42Å | ||
| 389 | T | 92.9 | Very high | 85.5 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | trans | -117.3 | 156.1 | 166.3 | 64.6 | 0 | 0 | 0 | 0 | 110.6 | H396 Y397 W632 V653 P654 | T389-H396 WeakPolarHBondContact O-CB 3.24Å; T389-H396 PolarHBondContact O-CD2 3.31Å; T389-H396 VanDerWaalsContact O-CD2 3.25Å; T389-H396 WeakPolarHBondContact OG1-CB 3.46Å; T389-Y397 HydrophobicContact CG2-CD2 4.2Å; T389-Y397 PolarHBondContact N-O 3Å; T389-Y397 PolarHBondContact OG1-N 2.55Å; T389-W632 HydrophobicContact CG2-CZ2 4.41Å; T389-V653 HydrophobicContact CG2-CB 4.11Å; T389-P654 HydrophobicContact CG2-CG 3.85Å | ||
| 390 | A | 87.3 | Confident | 87.2 | Confident | 78 Ų | 78 | 45 Ų | 45 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | trans | -65.4 | 147.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A392 H396 | A390-A392 PolarHBondContact O-N 3.16Å; A390-H396 WeakPolarHBondContact O-CB 3.28Å | ||
| 391 | L | 82.8 | Confident | 88.5 | Confident | 104 Ų | 104 | 41.3 Ų | 41.3 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | trans | -63 | 112 | 174.2 | -179.2 | 66.5 | 0 | 0 | 0 | 110.3 | H396 | L391-H396 VanDerWaalsContact CD1-ND1 3.31Å; L391-H396 WeakPolarHBondContact CD1-ND1 3.34Å | ||
| 392 | A | 73.4 | Confident | 89.4 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -130.1 | 131 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V46 A390 G394 E395 | V46-A392 HydrophobicContact CG1-CB 4.2Å; V46-A392 HydrophobicContact CG2-CB 4.34Å; A390-A392 PolarHBondContact O-N 3.16Å; A392-G394 PolarHBondContact O-N 3.34Å; A392-E395 PolarHBondContact N-O 2.74Å; A392-E395 PolarHBondContact O-N 2.99Å |
| 393 | H | 68.6 | Low | 89.8 | Confident | 170 Ų | 170 | 38 Ų | 38 | 79% | 0.787 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 23.9 | -177.3 | -54.9 | -68 | 0 | 0 | 0 | 115.2 | ||
| 394 | G | 79.1 | Confident | 89.9 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 27% | 0.268 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 8.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | A392 Y409 V410 | A392-G394 PolarHBondContact O-N 3.34Å; G394-Y409 CarbonylContact O-C 3.5Å; G394-Y409 VanDerWaalsContact O-CA 3.23Å; G394-Y409 WeakPolarHBondContact O-CA 3.47Å; G394-V410 PolarHBondContact O-N 3.23Å |
| 395 | E | 89.2 | Confident | 90.1 | Very high | 50 Ų | 50 | 34.1 Ų | 34.1 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.3 | 174 | 61.7 | 175.3 | -153.5 | 0 | 0 | 113 | A392 H408 V656 T657 | A392-E395 PolarHBondContact N-O 2.74Å; A392-E395 PolarHBondContact O-N 2.99Å; E395-H408 CarbonylContact C-O 3.6Å; E395-H408 WeakPolarHBondContact CA-O 3.45Å; E395-V656 HydrophobicContact CB-CB 4.37Å; E395-V656 HydrophobicContact CB-CG2 4.14Å; E395-V656 HydrophobicContact CG-CB 4.12Å; E395-V656 HydrophobicContact CG-CG2 4.08Å; E395-T657 PolarHBondContact OE1-N 3.03Å; E395-T657 PolarHBondContact OE1-OG1 3.42Å |
| 396 | H | 91.6 | Very high | 90.2 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 168.4 | 166.7 | 65.7 | -67.2 | 0 | 0 | 0 | 113.5 | T389 A390 L391 R407 H408 | T389-H396 WeakPolarHBondContact O-CB 3.24Å; T389-H396 PolarHBondContact O-CD2 3.31Å; T389-H396 VanDerWaalsContact O-CD2 3.25Å; T389-H396 WeakPolarHBondContact OG1-CB 3.46Å; A390-H396 WeakPolarHBondContact O-CB 3.28Å; L391-H396 VanDerWaalsContact CD1-ND1 3.31Å; L391-H396 WeakPolarHBondContact CD1-ND1 3.34Å; H396-R407 WeakPolarHBondContact O-CA 3.23Å; H396-H408 AromaticContact CE1-CE1 3.97Å; H396-H408 AromaticContact CE1-CG 3.56Å; H396-H408 AromaticContact CE1-ND1 3.3Å; H396-H408 PolarHBondContact CE1-ND1 3.16Å; H396-H408 VanDerWaalsContact CE1-ND1 3.3Å; H396-H408 PolarHBondContact N-O 3.41Å; H396-H408 PolarHBondContact O-N 3.25Å |
| 397 | Y | 94.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 119.1 | 162.7 | -66.5 | -77.7 | 0 | 0 | 0 | 110 | S388 T389 K399 W400 T405 I406 R407 P654 V656 | S388-Y397 CarbonylContact C-O 3.6Å; S388-Y397 VanDerWaalsContact CA-O 3.23Å; S388-Y397 WeakPolarHBondContact CA-O 3.34Å; S388-Y397 WeakPolarHBondContact CB-O 3.2Å; T389-Y397 HydrophobicContact CG2-CD2 4.2Å; T389-Y397 PolarHBondContact N-O 3Å; T389-Y397 PolarHBondContact OG1-N 2.55Å; Y397-K399 VanDerWaalsContact C-N 3.35Å; Y397-W400 AromaticContact CD1-CE3 3.87Å; Y397-W400 HydrophobicContact CD1-CE3 3.87Å; Y397-W400 HydrophobicContact CD1-CZ3 4.45Å; Y397-W400 HydrophobicContact CD2-CE3 4.18Å; Y397-W400 AromaticContact CE1-CE3 3.57Å; Y397-W400 HydrophobicContact CE1-CE3 3.57Å; Y397-W400 AromaticContact CE1-CZ3 3.72Å; Y397-W400 HydrophobicContact CE1-CZ3 3.72Å; Y397-W400 AromaticContact CE2-CE3 3.91Å; Y397-W400 HydrophobicContact CE2-CE3 3.91Å; Y397-W400 AromaticContact CE2-CZ3 3.79Å; Y397-W400 HydrophobicContact CE2-CZ3 3.79Å; Y397-W400 HydrophobicContact CG-CE3 4.17Å; Y397-W400 AromaticContact CZ-CE3 3.6Å; Y397-W400 AromaticContact CZ-CZ3 3.35Å; Y397-W400 WeakPolarHBondContact OH-CZ3 3.45Å; Y397-T405 HydrophobicContact CE1-CG2 4.33Å; Y397-I406 CarbonylContact C-O 3.46Å; Y397-I406 WeakPolarHBondContact CA-O 3.31Å; Y397-R407 HydrophobicContact CD1-CG 3.84Å; Y397-R407 HydrophobicContact CE1-CG 3.69Å; Y397-P654 HydrophobicContact CD2-CG 4.25Å; Y397-P654 HydrophobicContact CE2-CB 4.26Å; Y397-P654 HydrophobicContact CE2-CG 4.36Å; Y397-V656 HydrophobicContact CD2-CG2 3.95Å; Y397-V656 HydrophobicContact CE2-CB 4.19Å; Y397-V656 HydrophobicContact CE2-CG2 3.81Å |
| 398 | M | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -31.9 | 167.9 | -64.6 | 170.9 | 73.1 | 0 | 0 | 110.8 | N385 S388 I406 H408 I418 I442 F452 | N385-M398 PolarHBondContact ND2-O 2.81Å; S388-M398 VanDerWaalsContact CB-O 3.32Å; S388-M398 WeakPolarHBondContact CB-O 3.42Å; M398-I406 HydrophobicContact CB-CB 4.14Å; M398-I406 HydrophobicContact CB-CG2 3.78Å; M398-I406 HydrophobicContact CG-CG2 4.26Å; M398-I406 PolarHBondContact N-O 2.81Å; M398-I406 HydrophobicContact SD-CG2 3.8Å; M398-H408 HydrophobicContact CG-CB 3.8Å; M398-H408 HydrophobicContact SD-CB 3.66Å; M398-I418 HydrophobicContact CE-CD1 3.96Å; M398-I418 HydrophobicContact SD-CD1 3.69Å; M398-I418 HydrophobicContact SD-CG1 3.85Å; M398-I418 HydrophobicContact SD-CG2 4.12Å; M398-I442 VanDerWaalsContact CE-C 3.45Å; M398-I442 VanDerWaalsContact CE-O 3.28Å; M398-I442 WeakPolarHBondContact CE-O 3.19Å; M398-F452 HydrophobicContact CE-CD1 4.06Å |
| 399 | K | 95.7 | Very high | 90.1 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 141.4 | 173.5 | -161.8 | 78.2 | -179.6 | -169 | 0 | 110.9 | N385 P386 G387 Y397 N401 T405 I406 D444 | N385-K399 WeakPolarHBondContact ND2-CD 3.37Å; N385-K399 PolarHBondContact OD1-NZ 2.79Å; P386-K399 WeakPolarHBondContact O-CD 3.39Å; P386-K399 WeakPolarHBondContact O-CE 3.29Å; P386-K399 PolarHBondContact O-NZ 3.14Å; G387-K399 CarbonylContact O-C 3.41Å; G387-K399 VanDerWaalsContact O-C 3.31Å; G387-K399 WeakPolarHBondContact O-CA 3.28Å; Y397-K399 VanDerWaalsContact C-N 3.35Å; K399-N401 HydrophobicContact CG-CB 4.48Å; K399-T405 CarbonylContact O-C 3.56Å; K399-T405 WeakPolarHBondContact O-CA 3.4Å; K399-I406 HydrophobicContact CB-CB 4.16Å; K399-I406 HydrophobicContact CB-CD1 3.88Å; K399-I406 HydrophobicContact CB-CG1 4.11Å; K399-I406 PolarHBondContact N-O 2.97Å; K399-I406 PolarHBondContact O-N 3.22Å; K399-D444 WeakPolarHBondContact CD-OD1 3.18Å; K399-D444 WeakPolarHBondContact CE-OD1 3.25Å; K399-D444 IonicContact NZ-OD1 3.41Å |
| 400 | W | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.3 | 159.9 | -166.7 | -32.6 | 0 | 0 | 0 | 107.1 | G387 Y397 T405 H423 W632 V634 V646 P660 M662 | G387-W400 PolarHBondContact O-N 2.78Å; Y397-W400 AromaticContact CD1-CE3 3.87Å; Y397-W400 HydrophobicContact CD1-CE3 3.87Å; Y397-W400 HydrophobicContact CD1-CZ3 4.45Å; Y397-W400 HydrophobicContact CD2-CE3 4.18Å; Y397-W400 AromaticContact CE1-CE3 3.57Å; Y397-W400 HydrophobicContact CE1-CE3 3.57Å; Y397-W400 AromaticContact CE1-CZ3 3.72Å; Y397-W400 HydrophobicContact CE1-CZ3 3.72Å; Y397-W400 AromaticContact CE2-CE3 3.91Å; Y397-W400 HydrophobicContact CE2-CE3 3.91Å; Y397-W400 AromaticContact CE2-CZ3 3.79Å; Y397-W400 HydrophobicContact CE2-CZ3 3.79Å; Y397-W400 HydrophobicContact CG-CE3 4.17Å; Y397-W400 AromaticContact CZ-CE3 3.6Å; Y397-W400 AromaticContact CZ-CZ3 3.35Å; Y397-W400 WeakPolarHBondContact OH-CZ3 3.45Å; W400-T405 HydrophobicContact CB-CG2 4.33Å; W400-T405 HydrophobicContact CD2-CG2 3.49Å; W400-T405 VanDerWaalsContact CD2-CG2 3.49Å; W400-T405 HydrophobicContact CE3-CG2 4.04Å; W400-T405 HydrophobicContact CG-CG2 3.63Å; W400-T405 HydrophobicContact CZ2-CG2 4.14Å; W400-H423 AromaticContact CD1-NE2 3.79Å; W400-H423 AromaticContact NE1-CE1 3.37Å; W400-H423 PolarHBondContact NE1-CE1 3.44Å; W400-H423 AromaticContact NE1-NE2 3.48Å; W400-H423 PolarHBondContact NE1-NE2 2.87Å; W400-W632 HydrophobicContact CB-CH2 4.07Å; W400-W632 HydrophobicContact CB-CZ3 3.97Å; W400-W632 HydrophobicContact CG-CZ3 4.32Å; W400-V634 HydrophobicContact CG-CG1 4.48Å; W400-V634 HydrophobicContact CG-CG2 4.41Å; W400-V646 HydrophobicContact CD2-CG2 4.1Å; W400-V646 HydrophobicContact CE3-CG2 4.2Å; W400-V646 HydrophobicContact CH2-CG1 4.4Å; W400-V646 HydrophobicContact CH2-CG2 3.94Å; W400-V646 HydrophobicContact CZ2-CG2 3.81Å; W400-V646 HydrophobicContact CZ3-CG1 4.46Å; W400-V646 HydrophobicContact CZ3-CG2 4.11Å; W400-P660 HydrophobicContact CH2-CG 3.75Å; W400-P660 HydrophobicContact CZ3-CG 3.69Å; W400-M662 HydrophobicContact CZ2-CG 3.89Å; W400-M662 HydrophobicContact CZ2-SD 3.92Å |
| 401 | N | 94.3 | Very high | 89.5 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | trans | -136.6 | -168.1 | 178.6 | 70.3 | 17.3 | 0 | 0 | 0 | 110.5 | K399 V403 G404 H423 L445 V634 | K399-N401 HydrophobicContact CG-CB 4.48Å; N401-V403 VanDerWaalsContact C-N 3.29Å; N401-V403 PolarHBondContact O-N 3.21Å; N401-V403 WeakPolarHBondContact OD1-CB 3.44Å; N401-V403 PolarHBondContact OD1-N 3.26Å; N401-G404 PolarHBondContact N-O 3.26Å; N401-G404 PolarHBondContact OD1-N 2.86Å; N401-G404 VanDerWaalsContact OD1-N 3.17Å; N401-H423 PolarHBondContact O-CD2 2.99Å; N401-H423 PolarHBondContact O-NE2 2.96Å; N401-L445 PolarHBondContact ND2-O 3.48Å; N401-V634 WeakPolarHBondContact O-CG1 3.47Å | ||
| 402 | R | 92.6 | Very high | 89.3 | Confident | 112 Ų | 112 | 46.8 Ų | 46.8 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -66.5 | -22.8 | 178.2 | 168.2 | 166.5 | 165.5 | 169.3 | -3.5 | 114.6 | H423 E593 D635 | R402-H423 PolarHBondContact O-CD2 3.07Å; R402-E593 IonicContact NH1-OE2 2.64Å; R402-E593 PolarHBondContact NH1-OE2 3.2Å; R402-D635 HydrophobicContact CB-CB 4.07Å; R402-D635 WeakPolarHBondContact CD-OD2 3.49Å; R402-D635 IonicContact NH1-OD2 3.22Å |
| 403 | V | 94.5 | Very high | 89.6 | Confident | 26 Ų | 26 | 54 Ų | 54 | 16% | 0.158 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -84.3 | -43.4 | -178.6 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | N401 F422 H423 I427 L445 | N401-V403 VanDerWaalsContact C-N 3.29Å; N401-V403 PolarHBondContact O-N 3.21Å; N401-V403 WeakPolarHBondContact OD1-CB 3.44Å; N401-V403 PolarHBondContact OD1-N 3.26Å; V403-F422 HydrophobicContact CG1-CD1 3.9Å; V403-F422 HydrophobicContact CG1-CE1 4.22Å; V403-H423 VanDerWaalsContact C-CD2 3.47Å; V403-H423 PolarHBondContact O-N 2.86Å; V403-I427 HydrophobicContact CG1-CD1 4.21Å; V403-L445 HydrophobicContact CB-CD2 4.28Å; V403-L445 HydrophobicContact CB-CG 4.16Å; V403-L445 HydrophobicContact CG1-CD2 4.21Å; V403-L445 HydrophobicContact CG1-CG 4.01Å |
| 404 | G | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | -158 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N401 E421 H423 | N401-G404 PolarHBondContact N-O 3.26Å; N401-G404 PolarHBondContact OD1-N 2.86Å; N401-G404 VanDerWaalsContact OD1-N 3.17Å; G404-E421 CarbonylContact C-O 3.41Å; G404-E421 WeakPolarHBondContact CA-O 3.01Å; G404-H423 VanDerWaalsContact CA-CD2 3.41Å; G404-H423 WeakPolarHBondContact CA-CD2 3Å; G404-H423 WeakPolarHBondContact CA-NE2 3.35Å; G404-H423 PolarHBondContact N-CD2 2.8Å; G404-H423 VanDerWaalsContact N-CD2 3.32Å; G404-H423 PolarHBondContact O-NE2 3.03Å |
| 405 | T | 95.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.5 | 176.7 | 67 | 0 | 0 | 0 | 0 | 111.1 | Y397 K399 W400 V420 E421 | Y397-T405 HydrophobicContact CE1-CG2 4.33Å; K399-T405 CarbonylContact O-C 3.56Å; K399-T405 WeakPolarHBondContact O-CA 3.4Å; W400-T405 HydrophobicContact CB-CG2 4.33Å; W400-T405 HydrophobicContact CD2-CG2 3.49Å; W400-T405 VanDerWaalsContact CD2-CG2 3.49Å; W400-T405 HydrophobicContact CE3-CG2 4.04Å; W400-T405 HydrophobicContact CG-CG2 3.63Å; W400-T405 HydrophobicContact CZ2-CG2 4.14Å; T405-V420 WeakPolarHBondContact O-CA 3.37Å; T405-E421 PolarHBondContact N-O 3.02Å; T405-E421 PolarHBondContact O-N 2.83Å |
| 406 | I | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.8 | 166.1 | -55.4 | 173.4 | 0 | 0 | 0 | 107.2 | Y397 M398 K399 I418 D419 V420 L445 V450 F452 | Y397-I406 CarbonylContact C-O 3.46Å; Y397-I406 WeakPolarHBondContact CA-O 3.31Å; M398-I406 HydrophobicContact CB-CB 4.14Å; M398-I406 HydrophobicContact CB-CG2 3.78Å; M398-I406 HydrophobicContact CG-CG2 4.26Å; M398-I406 PolarHBondContact N-O 2.81Å; M398-I406 HydrophobicContact SD-CG2 3.8Å; K399-I406 HydrophobicContact CB-CB 4.16Å; K399-I406 HydrophobicContact CB-CD1 3.88Å; K399-I406 HydrophobicContact CB-CG1 4.11Å; K399-I406 PolarHBondContact N-O 2.97Å; K399-I406 PolarHBondContact O-N 3.22Å; I406-I418 HydrophobicContact CG2-CG2 3.64Å; I406-D419 CarbonylContact C-O 3.58Å; I406-D419 WeakPolarHBondContact CA-O 3.48Å; I406-V420 HydrophobicContact CG1-CG1 4.32Å; I406-V420 HydrophobicContact CG1-CG2 4.32Å; I406-L445 HydrophobicContact CD1-CB 4.05Å; I406-L445 HydrophobicContact CG1-CB 4.28Å; I406-V450 HydrophobicContact CD1-CG1 4.01Å; I406-F452 HydrophobicContact CD1-CE1 4.09Å; I406-F452 HydrophobicContact CG2-CE1 3.8Å |
| 407 | R | 94.6 | Very high | 90.2 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.3 | 177.8 | -57.5 | 178.9 | -59.2 | -173.2 | 5.3 | 109.3 | H396 Y397 I418 D419 V656 | H396-R407 WeakPolarHBondContact O-CA 3.23Å; Y397-R407 HydrophobicContact CD1-CG 3.84Å; Y397-R407 HydrophobicContact CE1-CG 3.69Å; R407-I418 CarbonylContact O-C 3.59Å; R407-I418 VanDerWaalsContact O-CA 3.31Å; R407-I418 WeakPolarHBondContact O-CA 3.48Å; R407-D419 HydrophobicContact CB-CB 4.44Å; R407-D419 IonicContact CZ-OD2 3.91Å; R407-D419 PolarHBondContact N-O 2.86Å; R407-D419 IonicContact NH2-OD2 3.02Å; R407-D419 PolarHBondContact NH2-OD2 2.85Å; R407-D419 PolarHBondContact O-N 3.2Å; R407-V656 HydrophobicContact CG-CG1 4.31Å |
| 408 | H | 93.7 | Very high | 90.3 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.2 | 168.9 | 168.2 | 176.7 | 0 | 0 | 0 | 107.4 | E395 H396 M398 N416 V417 I418 | E395-H408 CarbonylContact C-O 3.6Å; E395-H408 WeakPolarHBondContact CA-O 3.45Å; H396-H408 AromaticContact CE1-CE1 3.97Å; H396-H408 AromaticContact CE1-CG 3.56Å; H396-H408 AromaticContact CE1-ND1 3.3Å; H396-H408 PolarHBondContact CE1-ND1 3.16Å; H396-H408 VanDerWaalsContact CE1-ND1 3.3Å; H396-H408 PolarHBondContact N-O 3.41Å; H396-H408 PolarHBondContact O-N 3.25Å; M398-H408 HydrophobicContact CG-CB 3.8Å; M398-H408 HydrophobicContact SD-CB 3.66Å; H408-N416 PolarHBondContact CD2-OD1 2.87Å; H408-N416 PolarHBondContact NE2-ND2 2.79Å; H408-N416 VanDerWaalsContact NE2-ND2 3.19Å; H408-N416 PolarHBondContact NE2-OD1 3.27Å; H408-V417 WeakPolarHBondContact CA-O 3.29Å; H408-I418 HydrophobicContact CB-CG1 4.18Å |
| 409 | Y | 91.2 | Very high | 90.3 | Very high | 67 Ų | 67 | 50 Ų | 50 | 26% | 0.263 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.6 | 174.2 | 63.2 | -85.3 | 0 | 0 | 0 | 112.5 | G394 V417 D419 | G394-Y409 CarbonylContact O-C 3.5Å; G394-Y409 VanDerWaalsContact O-CA 3.23Å; G394-Y409 WeakPolarHBondContact O-CA 3.47Å; Y409-V417 HydrophobicContact CE1-CB 4.32Å; Y409-V417 HydrophobicContact CE1-CG1 3.76Å; Y409-V417 HydrophobicContact CE2-CB 4.18Å; Y409-V417 HydrophobicContact CE2-CG1 4.22Å; Y409-V417 PolarHBondContact N-O 3.05Å; Y409-V417 PolarHBondContact O-N 2.93Å; Y409-D419 HydrophobicContact CE1-CB 4.24Å |
| 410 | V | 86.9 | Confident | 90.4 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 106.7 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | G394 G415 | G394-V410 PolarHBondContact O-N 3.23Å; V410-G415 CarbonylContact C-O 3.48Å; V410-G415 WeakPolarHBondContact CA-O 3.33Å |
| 411 | S | 80.2 | Confident | 90.4 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 144.7 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | E413 M414 G415 | S411-E413 PolarHBondContact O-N 3.1Å; S411-E413 PolarHBondContact OG-N 3.34Å; S411-M414 PolarHBondContact OG-N 3.14Å; S411-G415 PolarHBondContact N-O 2.82Å; S411-G415 WeakPolarHBondContact O-CA 3.32Å; S411-G415 PolarHBondContact O-N 3.06Å; S411-G415 VanDerWaalsContact O-N 3.16Å |
| 412 | R | 79.5 | Confident | 90.5 | Very high | 257 Ų | 257 | 51.5 Ų | 51.5 | 97% | 0.97 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.1 | 171.3 | -67 | -177 | 179.4 | 179.1 | -0.7 | 113.4 | ||
| 413 | E | 78 | Confident | 90.5 | Very high | 177 Ų | 177 | 47.3 Ų | 47.3 | 83% | 0.827 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -36.5 | -174.9 | -64.4 | 178.7 | 177.2 | 0 | 0 | 112.4 | S411 | S411-E413 PolarHBondContact O-N 3.1Å; S411-E413 PolarHBondContact OG-N 3.34Å |
| 414 | M | 75.5 | Confident | 90.3 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 52% | 0.517 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 4.1 | -172.4 | -63.6 | -66.4 | -162.6 | 0 | 0 | 113.7 | S411 V417 Q434 | S411-M414 PolarHBondContact OG-N 3.14Å; M414-V417 HydrophobicContact CB-CG2 3.7Å; M414-Q434 PolarHBondContact O-NE2 3.47Å; M414-Q434 PolarHBondContact O-OE1 2.96Å |
| 415 | G | 84.1 | Confident | 90.2 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.4 | -137.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V410 S411 E436 | V410-G415 CarbonylContact C-O 3.48Å; V410-G415 WeakPolarHBondContact CA-O 3.33Å; S411-G415 PolarHBondContact N-O 2.82Å; S411-G415 WeakPolarHBondContact O-CA 3.32Å; S411-G415 PolarHBondContact O-N 3.06Å; S411-G415 VanDerWaalsContact O-N 3.16Å; G415-E436 WeakPolarHBondContact CA-OE1 3.12Å |
| 416 | N | 89.5 | Confident | 90 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.2 | -177.7 | -168.7 | -32.3 | 0 | 0 | 0 | 111.1 | H408 Q434 N435 E436 | H408-N416 PolarHBondContact CD2-OD1 2.87Å; H408-N416 PolarHBondContact NE2-ND2 2.79Å; H408-N416 VanDerWaalsContact NE2-ND2 3.19Å; H408-N416 PolarHBondContact NE2-OD1 3.27Å; N416-Q434 PolarHBondContact O-OE1 2.63Å; N416-N435 HydrophobicContact CB-CB 4.38Å; N416-N435 WeakPolarHBondContact O-CA 3.33Å; N416-N435 WeakPolarHBondContact O-CB 3.2Å; N416-N435 PolarHBondContact O-N 2.66Å; N416-N435 WeakPolarHBondContact OD1-CB 3.16Å; N416-N435 PolarHBondContact OD1-ND2 3.29Å; N416-E436 HydrophobicContact CB-CG 4.2Å |
| 417 | V | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.4 | -170.9 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | H408 Y409 M414 H432 | H408-V417 WeakPolarHBondContact CA-O 3.29Å; Y409-V417 HydrophobicContact CE1-CB 4.32Å; Y409-V417 HydrophobicContact CE1-CG1 3.76Å; Y409-V417 HydrophobicContact CE2-CB 4.18Å; Y409-V417 HydrophobicContact CE2-CG1 4.22Å; Y409-V417 PolarHBondContact N-O 3.05Å; Y409-V417 PolarHBondContact O-N 2.93Å; M414-V417 HydrophobicContact CB-CG2 3.7Å; V417-H432 WeakPolarHBondContact CG1-CE1 3.37Å |
| 418 | I | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122 | 165 | -62.5 | 170.5 | 0 | 0 | 0 | 110.2 | M398 I406 R407 H408 F433 N435 Y440 F452 | M398-I418 HydrophobicContact CE-CD1 3.96Å; M398-I418 HydrophobicContact SD-CD1 3.69Å; M398-I418 HydrophobicContact SD-CG1 3.85Å; M398-I418 HydrophobicContact SD-CG2 4.12Å; I406-I418 HydrophobicContact CG2-CG2 3.64Å; R407-I418 CarbonylContact O-C 3.59Å; R407-I418 VanDerWaalsContact O-CA 3.31Å; R407-I418 WeakPolarHBondContact O-CA 3.48Å; H408-I418 HydrophobicContact CB-CG1 4.18Å; I418-F433 HydrophobicContact CB-CB 4.32Å; I418-F433 PolarHBondContact N-O 3.05Å; I418-F433 PolarHBondContact O-N 3.3Å; I418-N435 HydrophobicContact CD1-CB 3.91Å; I418-N435 HydrophobicContact CG1-CB 3.95Å; I418-Y440 HydrophobicContact CD1-CD2 4.31Å; I418-F452 HydrophobicContact CG2-CE1 3.77Å; I418-F452 HydrophobicContact CG2-CE2 4.49Å; I418-F452 HydrophobicContact CG2-CZ 3.68Å |
| 419 | D | 95.2 | Very high | 89.6 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.1 | 172.9 | -90.1 | 3.3 | 0 | 0 | 0 | 110.7 | I406 R407 Y409 H432 | I406-D419 CarbonylContact C-O 3.58Å; I406-D419 WeakPolarHBondContact CA-O 3.48Å; R407-D419 HydrophobicContact CB-CB 4.44Å; R407-D419 IonicContact CZ-OD2 3.91Å; R407-D419 PolarHBondContact N-O 2.86Å; R407-D419 IonicContact NH2-OD2 3.02Å; R407-D419 PolarHBondContact NH2-OD2 2.85Å; R407-D419 PolarHBondContact O-N 3.2Å; Y409-D419 HydrophobicContact CE1-CB 4.24Å; D419-H432 IonicContact OD1-CE1 2.7Å; D419-H432 IonicContact OD1-CG 2.96Å; D419-H432 IonicContact OD1-ND1 3.26Å; D419-H432 PolarHBondContact OD1-ND1 3.44Å |
| 420 | V | 96.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.7 | 171.5 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | T405 I406 F422 A430 L431 F433 L445 V450 F452 | T405-V420 WeakPolarHBondContact O-CA 3.37Å; I406-V420 HydrophobicContact CG1-CG1 4.32Å; I406-V420 HydrophobicContact CG1-CG2 4.32Å; V420-F422 HydrophobicContact CG1-CE2 4.02Å; V420-F422 HydrophobicContact CG1-CZ 4.19Å; V420-A430 CarbonylContact O-C 3.47Å; V420-A430 WeakPolarHBondContact O-CA 3.33Å; V420-A430 WeakPolarHBondContact O-CB 3.31Å; V420-L431 HydrophobicContact CB-CB 4.12Å; V420-L431 HydrophobicContact CG2-CB 4.39Å; V420-L431 PolarHBondContact N-O 2.77Å; V420-L431 PolarHBondContact O-N 2.89Å; V420-F433 HydrophobicContact CG2-CD2 4.21Å; V420-F433 HydrophobicContact CG2-CE2 3.9Å; V420-L445 HydrophobicContact CG1-CD1 3.74Å; V420-L445 HydrophobicContact CG1-CD2 4Å; V420-V450 HydrophobicContact CG1-CG2 4.24Å; V420-V450 HydrophobicContact CG2-CG1 4.1Å; V420-V450 HydrophobicContact CG2-CG2 4.45Å; V420-F452 HydrophobicContact CG2-CZ 4.03Å |
| 421 | E | 95.5 | Very high | 90.2 | Very high | 58 Ų | 58 | 62.7 Ų | 62.7 | 27% | 0.271 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.7 | 177.8 | -168.7 | -170 | 166.7 | 0 | 0 | 109.8 | G404 T405 K659 | G404-E421 CarbonylContact C-O 3.41Å; G404-E421 WeakPolarHBondContact CA-O 3.01Å; T405-E421 PolarHBondContact N-O 3.02Å; T405-E421 PolarHBondContact O-N 2.83Å; E421-K659 IonicContact OE1-NZ 3.62Å; E421-K659 PolarHBondContact OE1-NZ 3.08Å; E421-K659 IonicContact OE2-NZ 3.19Å; E421-K659 PolarHBondContact OE2-NZ 2.83Å |
| 422 | F | 95.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.7 | 177.4 | -64.3 | -96.2 | 0 | 0 | 0 | 110.3 | V403 V420 N424 I427 H428 H429 L431 L445 F469 | V403-F422 HydrophobicContact CG1-CD1 3.9Å; V403-F422 HydrophobicContact CG1-CE1 4.22Å; V420-F422 HydrophobicContact CG1-CE2 4.02Å; V420-F422 HydrophobicContact CG1-CZ 4.19Å; F422-N424 PolarHBondContact O-N 3.2Å; F422-I427 HydrophobicContact CD1-CB 4.25Å; F422-I427 HydrophobicContact CD1-CG2 4Å; F422-I427 HydrophobicContact CE1-CG2 4.15Å; F422-H428 HydrophobicContact CD1-CB 4.47Å; F422-H428 HydrophobicContact CD2-CB 4.02Å; F422-H428 HydrophobicContact CE1-CB 4.17Å; F422-H428 HydrophobicContact CE2-CB 3.7Å; F422-H428 HydrophobicContact CG-CB 4.41Å; F422-H428 HydrophobicContact CZ-CB 3.78Å; F422-H429 WeakPolarHBondContact CD2-O 3.41Å; F422-H429 WeakPolarHBondContact CE2-O 3.46Å; F422-L431 HydrophobicContact CE2-CD1 4.28Å; F422-L431 HydrophobicContact CZ-CD1 4.39Å; F422-L445 HydrophobicContact CE1-CD1 3.72Å; F422-L445 HydrophobicContact CE1-CG 4.48Å; F422-L445 HydrophobicContact CZ-CD1 3.91Å; F422-F469 AromaticContact CE1-CE1 3.93Å; F422-F469 HydrophobicContact CE1-CE1 3.93Å; F422-F469 HydrophobicContact CE1-CE2 4.32Å; F422-F469 AromaticContact CE1-CZ 3.6Å; F422-F469 HydrophobicContact CE1-CZ 3.6Å; F422-F469 HydrophobicContact CZ-CD1 4.31Å; F422-F469 AromaticContact CZ-CE1 3.68Å; F422-F469 HydrophobicContact CZ-CE1 3.68Å; F422-F469 HydrophobicContact CZ-CE2 4.44Å; F422-F469 AromaticContact CZ-CZ 3.78Å; F422-F469 HydrophobicContact CZ-CZ 3.78Å |
| 423 | H | 92.8 | Very high | 91.5 | Very high | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.111 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -64.8 | -29.5 | 176.4 | -60.7 | -52.5 | 0 | 0 | 0 | 111.6 | W400 N401 R402 V403 G404 F945 | W400-H423 AromaticContact CD1-NE2 3.79Å; W400-H423 AromaticContact NE1-CE1 3.37Å; W400-H423 PolarHBondContact NE1-CE1 3.44Å; W400-H423 AromaticContact NE1-NE2 3.48Å; W400-H423 PolarHBondContact NE1-NE2 2.87Å; N401-H423 PolarHBondContact O-CD2 2.99Å; N401-H423 PolarHBondContact O-NE2 2.96Å; R402-H423 PolarHBondContact O-CD2 3.07Å; V403-H423 VanDerWaalsContact C-CD2 3.47Å; V403-H423 PolarHBondContact O-N 2.86Å; G404-H423 VanDerWaalsContact CA-CD2 3.41Å; G404-H423 WeakPolarHBondContact CA-CD2 3Å; G404-H423 WeakPolarHBondContact CA-NE2 3.35Å; G404-H423 PolarHBondContact N-CD2 2.8Å; G404-H423 VanDerWaalsContact N-CD2 3.32Å; G404-H423 PolarHBondContact O-NE2 3.03Å; H423-F945 HydrophobicContact CB-CD1 4.43Å; H423-F945 HydrophobicContact CB-CE1 3.7Å; H423-F945 HydrophobicContact CB-CZ 4.37Å |
| 424 | N | 91.4 | Very high | 92.1 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -111.3 | 105.4 | 168.7 | -179.2 | 14.2 | 0 | 0 | 0 | 110.3 | F422 S426 I427 F945 | F422-N424 PolarHBondContact O-N 3.2Å; N424-S426 PolarHBondContact ND2-OG 3.24Å; N424-S426 PolarHBondContact O-N 2.95Å; N424-S426 VanDerWaalsContact O-N 3.09Å; N424-S426 WeakPolarHBondContact OD1-CB 3.48Å; N424-S426 PolarHBondContact OD1-N 3.26Å; N424-S426 PolarHBondContact OD1-OG 3.38Å; N424-I427 HydrophobicContact CB-CD1 4.05Å; N424-I427 HydrophobicContact CB-CG1 4.19Å; N424-I427 WeakPolarHBondContact O-CB 3.49Å; N424-I427 PolarHBondContact O-N 3.42Å; N424-F945 HydrophobicContact CB-CE1 4.46Å |
| 425 | V | 91.5 | Very high | 92.9 | Very high | 113 Ų | 113 | 46.4 Ų | 46.4 | 69% | 0.685 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.6 | 178.9 | -170.7 | 0 | 0 | 0 | 0 | 112.7 | I427 | V425-I427 VanDerWaalsContact C-N 3.26Å; V425-I427 PolarHBondContact O-N 3.34Å |
| 426 | S | 92.2 | Very high | 92.9 | Very high | 100 Ų | 100 | 51.2 Ų | 51.2 | 70% | 0.699 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -12.6 | 174.8 | 91.3 | 0 | 0 | 0 | 0 | 114.1 | N424 | N424-S426 PolarHBondContact ND2-OG 3.24Å; N424-S426 PolarHBondContact O-N 2.95Å; N424-S426 VanDerWaalsContact O-N 3.09Å; N424-S426 WeakPolarHBondContact OD1-CB 3.48Å; N424-S426 PolarHBondContact OD1-N 3.26Å; N424-S426 PolarHBondContact OD1-OG 3.38Å |
| 427 | I | 91.1 | Very high | 92.6 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -57 | 175.1 | -61.8 | 173.6 | 0 | 0 | 0 | 108.5 | V403 F422 N424 V425 D447 F469 | V403-I427 HydrophobicContact CG1-CD1 4.21Å; F422-I427 HydrophobicContact CD1-CB 4.25Å; F422-I427 HydrophobicContact CD1-CG2 4Å; F422-I427 HydrophobicContact CE1-CG2 4.15Å; N424-I427 HydrophobicContact CB-CD1 4.05Å; N424-I427 HydrophobicContact CB-CG1 4.19Å; N424-I427 WeakPolarHBondContact O-CB 3.49Å; N424-I427 PolarHBondContact O-N 3.42Å; V425-I427 VanDerWaalsContact C-N 3.26Å; V425-I427 PolarHBondContact O-N 3.34Å; I427-D447 HydrophobicContact CG2-CB 4.41Å; I427-F469 HydrophobicContact CG2-CE2 4.11Å; I427-F469 HydrophobicContact CG2-CZ 4.43Å |
| 428 | H | 92.8 | Very high | 92.1 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 18% | 0.181 | 31% | 0.314 | C | S | . | . | trans | -158.4 | 160.2 | 177.2 | -160.3 | -92.2 | 0 | 0 | 0 | 110.2 | F422 L431 F469 | F422-H428 HydrophobicContact CD1-CB 4.47Å; F422-H428 HydrophobicContact CD2-CB 4.02Å; F422-H428 HydrophobicContact CE1-CB 4.17Å; F422-H428 HydrophobicContact CE2-CB 3.7Å; F422-H428 HydrophobicContact CG-CB 4.41Å; F422-H428 HydrophobicContact CZ-CB 3.78Å; H428-L431 VanDerWaalsContact CE1-CD2 3.47Å; H428-L431 WeakPolarHBondContact CE1-CD2 3.46Å; H428-F469 HydrophobicContact CB-CD2 4.08Å; H428-F469 HydrophobicContact CB-CE2 4.14Å; H428-F469 AromaticContact CD2-CD2 3.72Å; H428-F469 AromaticContact CD2-CG 3.99Å; H428-F469 AromaticContact CG-CD2 3.99Å | ||
| 429 | H | 93.2 | Very high | 91.8 | Very high | 123 Ų | 123 | 62.7 Ų | 62.7 | 57% | 0.569 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 162.9 | 168.6 | 60.4 | -87 | 0 | 0 | 0 | 110.8 | F422 L431 | F422-H429 WeakPolarHBondContact CD2-O 3.41Å; F422-H429 WeakPolarHBondContact CE2-O 3.46Å; H429-L431 PolarHBondContact O-N 3.25Å |
| 430 | A | 94.8 | Very high | 91.7 | Very high | 70 Ų | 70 | 62.6 Ų | 62.6 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 133.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V420 | V420-A430 CarbonylContact O-C 3.47Å; V420-A430 WeakPolarHBondContact O-CA 3.33Å; V420-A430 WeakPolarHBondContact O-CB 3.31Å |
| 431 | L | 95 | Very high | 91.4 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 14% | 0.141 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.6 | 178.2 | -66.5 | 163.8 | 0 | 0 | 0 | 109.9 | V420 F422 H428 H429 F433 V450 F469 | V420-L431 HydrophobicContact CB-CB 4.12Å; V420-L431 HydrophobicContact CG2-CB 4.39Å; V420-L431 PolarHBondContact N-O 2.77Å; V420-L431 PolarHBondContact O-N 2.89Å; F422-L431 HydrophobicContact CE2-CD1 4.28Å; F422-L431 HydrophobicContact CZ-CD1 4.39Å; H428-L431 VanDerWaalsContact CE1-CD2 3.47Å; H428-L431 WeakPolarHBondContact CE1-CD2 3.46Å; H429-L431 PolarHBondContact O-N 3.25Å; L431-F433 HydrophobicContact CB-CD2 4.39Å; L431-F433 HydrophobicContact CB-CE2 3.58Å; L431-F433 HydrophobicContact CB-CZ 4.05Å; L431-F433 HydrophobicContact CD1-CE2 4.26Å; L431-F433 HydrophobicContact CD1-CZ 4.17Å; L431-F433 HydrophobicContact CG-CE2 4.47Å; L431-V450 HydrophobicContact CD1-CG2 3.9Å; L431-F469 HydrophobicContact CD1-CD1 4.25Å |
| 432 | H | 93.9 | Very high | 91.4 | Very high | 98 Ų | 98 | 61.7 Ų | 61.7 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 125.3 | -177.8 | 177.7 | 87.8 | 0 | 0 | 0 | 109.2 | V417 D419 | V417-H432 WeakPolarHBondContact CG1-CE1 3.37Å; D419-H432 IonicContact OD1-CE1 2.7Å; D419-H432 IonicContact OD1-CG 2.96Å; D419-H432 IonicContact OD1-ND1 3.26Å; D419-H432 PolarHBondContact OD1-ND1 3.44Å |
| 433 | F | 93.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.5 | -175.4 | -59.7 | -87.1 | 0 | 0 | 0 | 110.6 | I418 V420 L431 F452 F465 | I418-F433 HydrophobicContact CB-CB 4.32Å; I418-F433 PolarHBondContact N-O 3.05Å; I418-F433 PolarHBondContact O-N 3.3Å; V420-F433 HydrophobicContact CG2-CD2 4.21Å; V420-F433 HydrophobicContact CG2-CE2 3.9Å; L431-F433 HydrophobicContact CB-CD2 4.39Å; L431-F433 HydrophobicContact CB-CE2 3.58Å; L431-F433 HydrophobicContact CB-CZ 4.05Å; L431-F433 HydrophobicContact CD1-CE2 4.26Å; L431-F433 HydrophobicContact CD1-CZ 4.17Å; L431-F433 HydrophobicContact CG-CE2 4.47Å; F433-F452 HydrophobicContact CB-CE2 4.42Å; F433-F452 HydrophobicContact CD1-CE2 4.27Å; F433-F452 AromaticContact CD2-CE2 3.6Å; F433-F452 HydrophobicContact CD2-CE2 3.6Å; F433-F452 AromaticContact CD2-CZ 3.72Å; F433-F452 HydrophobicContact CD2-CZ 3.72Å; F433-F452 HydrophobicContact CE1-CE2 4.44Å; F433-F452 AromaticContact CE2-CE2 3.79Å; F433-F452 HydrophobicContact CE2-CE2 3.79Å; F433-F452 AromaticContact CE2-CZ 3.86Å; F433-F452 HydrophobicContact CE2-CZ 3.86Å; F433-F452 AromaticContact CG-CE2 3.85Å; F433-F452 HydrophobicContact CG-CE2 3.85Å; F433-F452 HydrophobicContact CG-CZ 4.39Å; F433-F452 HydrophobicContact CZ-CE2 4.21Å; F433-F465 HydrophobicContact CD1-CE1 4.31Å; F433-F465 HydrophobicContact CD1-CZ 4.5Å; F433-F465 AromaticContact CE1-CE1 3.93Å; F433-F465 HydrophobicContact CE1-CE1 3.93Å; F433-F465 HydrophobicContact CE1-CZ 4.13Å |
| 434 | Q | 91.5 | Very high | 91.6 | Very high | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.9 | 170.8 | -87.8 | -69.4 | -14.5 | 0 | 0 | 110.3 | M414 N416 | M414-Q434 PolarHBondContact O-NE2 3.47Å; M414-Q434 PolarHBondContact O-OE1 2.96Å; N416-Q434 PolarHBondContact O-OE1 2.63Å |
| 435 | N | 91.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | trans | -129.1 | 16.4 | -168.1 | -169.5 | 41.9 | 0 | 0 | 0 | 113.4 | N416 I418 K439 Y440 | N416-N435 HydrophobicContact CB-CB 4.38Å; N416-N435 WeakPolarHBondContact O-CA 3.33Å; N416-N435 WeakPolarHBondContact O-CB 3.2Å; N416-N435 PolarHBondContact O-N 2.66Å; N416-N435 WeakPolarHBondContact OD1-CB 3.16Å; N416-N435 PolarHBondContact OD1-ND2 3.29Å; I418-N435 HydrophobicContact CD1-CB 3.91Å; I418-N435 HydrophobicContact CG1-CB 3.95Å; N435-K439 PolarHBondContact O-N 3.28Å; N435-Y440 PolarHBondContact ND2-O 2.72Å; N435-Y440 VanDerWaalsContact ND2-O 3.16Å; N435-Y440 WeakPolarHBondContact OD1-CB 3.42Å; N435-Y440 VanDerWaalsContact OD1-CD2 3.24Å; N435-Y440 WeakPolarHBondContact OD1-CD2 3.19Å; N435-Y440 PolarHBondContact OD1-N 3.16Å | ||
| 436 | E | 83.9 | Confident | 92 | Very high | 120 Ų | 120 | 53.6 Ų | 53.6 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -39.8 | -179.2 | -62.6 | -170.3 | 144 | 0 | 0 | 113.6 | G415 N416 | G415-E436 WeakPolarHBondContact CA-OE1 3.12Å; N416-E436 HydrophobicContact CB-CG 4.2Å |
| 437 | V | 82.2 | Confident | 92.1 | Very high | 129 Ų | 129 | 53.4 Ų | 53.4 | 78% | 0.782 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -56.3 | -173.6 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | K439 | V437-K439 PolarHBondContact O-N 3.32Š|
| 438 | S | 82.9 | Confident | 92.2 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -16.1 | -172.4 | -56 | 0 | 0 | 0 | 0 | 114.5 | Y440 S454 | S438-Y440 VanDerWaalsContact C-N 3.27Å; S438-Y440 PolarHBondContact O-N 3.33Å; S438-Y440 PolarHBondContact OG-OH 3.03Å; S438-S454 WeakPolarHBondContact O-CB 3.38Å |
| 439 | K | 88.7 | Confident | 92.4 | Very high | 112 Ų | 112 | 50.4 Ų | 50.4 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | trans | 47.5 | 43.9 | 178.6 | -53.8 | 178.2 | -169.5 | 171.9 | 0 | 113.9 | N435 V437 S441 D457 | N435-K439 PolarHBondContact O-N 3.28Å; V437-K439 PolarHBondContact O-N 3.32Å; K439-S441 PolarHBondContact O-N 3.33Å; K439-D457 IonicContact NZ-OD2 3.32Å; K439-D457 PolarHBondContact NZ-OD2 2.76Å | ||
| 440 | Y | 93 | Very high | 92.6 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | trans | -56 | 136.1 | 176.5 | -57.7 | -59 | 0 | 0 | 0 | 111.1 | I418 N435 S438 F452 F465 | I418-Y440 HydrophobicContact CD1-CD2 4.31Å; N435-Y440 PolarHBondContact ND2-O 2.72Å; N435-Y440 VanDerWaalsContact ND2-O 3.16Å; N435-Y440 WeakPolarHBondContact OD1-CB 3.42Å; N435-Y440 VanDerWaalsContact OD1-CD2 3.24Å; N435-Y440 WeakPolarHBondContact OD1-CD2 3.19Å; N435-Y440 PolarHBondContact OD1-N 3.16Å; S438-Y440 VanDerWaalsContact C-N 3.27Å; S438-Y440 PolarHBondContact O-N 3.33Å; S438-Y440 PolarHBondContact OG-OH 3.03Å; Y440-F452 HydrophobicContact CD1-CB 3.86Å; Y440-F452 HydrophobicContact CD2-CB 4.02Å; Y440-F452 HydrophobicContact CD2-CD2 4.29Å; Y440-F452 HydrophobicContact CD2-CG 4.41Å; Y440-F452 HydrophobicContact CE1-CB 4.39Å; Y440-F452 HydrophobicContact CG-CB 3.66Å; Y440-F452 HydrophobicContact CG-CG 4.42Å; Y440-F465 HydrophobicContact CE1-CB 3.94Å; Y440-F465 HydrophobicContact CE2-CB 4.35Å; Y440-F465 WeakPolarHBondContact OH-CB 3.44Å | ||
| 441 | S | 91.2 | Very high | 92.7 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | trans | -131.5 | -21.5 | -171.1 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | K439 A453 Y455 | K439-S441 PolarHBondContact O-N 3.33Å; S441-A453 PolarHBondContact N-O 3.37Å; S441-Y455 WeakPolarHBondContact OG-CD2 3.15Å; S441-Y455 WeakPolarHBondContact OG-CE2 3.41Å | ||
| 442 | I | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 142.4 | 173.6 | -50.7 | 168.6 | 0 | 0 | 0 | 107.7 | N385 M398 F452 A453 Y455 V488 L491 | N385-I442 HydrophobicContact CB-CG2 4.42Å; M398-I442 VanDerWaalsContact CE-C 3.45Å; M398-I442 VanDerWaalsContact CE-O 3.28Å; M398-I442 WeakPolarHBondContact CE-O 3.19Å; I442-F452 CarbonylContact O-C 3.6Å; I442-F452 VanDerWaalsContact O-CA 3.3Å; I442-F452 WeakPolarHBondContact O-CA 3.38Å; I442-A453 HydrophobicContact CB-CB 4.29Å; I442-A453 PolarHBondContact N-O 3.46Å; I442-A453 PolarHBondContact O-N 2.95Å; I442-Y455 HydrophobicContact CD1-CE1 3.82Å; I442-Y455 HydrophobicContact CG1-CE1 4.38Å; I442-V488 HydrophobicContact CD1-CG1 3.97Å; I442-L491 HydrophobicContact CG2-CB 3.74Å |
| 443 | G | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 149.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N385 A451 | N385-G443 PolarHBondContact ND2-O 3.34Å; G443-A451 CarbonylContact C-O 3.47Å; G443-A451 WeakPolarHBondContact CA-O 3.16Å |
| 444 | D | 97.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 157.5 | 172.2 | -160.8 | 16.5 | 0 | 0 | 0 | 111.3 | K399 A451 C492 L493 | K399-D444 WeakPolarHBondContact CD-OD1 3.18Å; K399-D444 WeakPolarHBondContact CE-OD1 3.25Å; K399-D444 IonicContact NZ-OD1 3.41Å; D444-A451 PolarHBondContact N-O 2.83Å; D444-A451 PolarHBondContact O-N 3.32Å; D444-C492 WeakPolarHBondContact OD2-CA 3.24Å; D444-L493 HydrophobicContact CB-CD1 4.34Å; D444-L493 HydrophobicContact CB-CG 4.31Å; D444-L493 WeakPolarHBondContact O-CD1 3.45Å; D444-L493 PolarHBondContact OD2-N 2.95Å |
| 445 | L | 96.6 | Very high | 93 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 118.6 | -170.3 | -178.5 | 61.9 | 0 | 0 | 0 | 111.1 | N401 V403 I406 V420 F422 V450 | N401-L445 PolarHBondContact ND2-O 3.48Å; V403-L445 HydrophobicContact CB-CD2 4.28Å; V403-L445 HydrophobicContact CB-CG 4.16Å; V403-L445 HydrophobicContact CG1-CD2 4.21Å; V403-L445 HydrophobicContact CG1-CG 4.01Å; I406-L445 HydrophobicContact CD1-CB 4.05Å; I406-L445 HydrophobicContact CG1-CB 4.28Å; V420-L445 HydrophobicContact CG1-CD1 3.74Å; V420-L445 HydrophobicContact CG1-CD2 4Å; F422-L445 HydrophobicContact CE1-CD1 3.72Å; F422-L445 HydrophobicContact CE1-CG 4.48Å; F422-L445 HydrophobicContact CZ-CD1 3.91Å; L445-V450 HydrophobicContact CD1-CB 4.46Å; L445-V450 HydrophobicContact CD1-CG1 4.4Å; L445-V450 HydrophobicContact CD1-CG2 3.73Å |
| 446 | S | 95.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | trans | -109.9 | 177.8 | 167.7 | 71 | 0 | 0 | 0 | 0 | 111.2 | E448 A449 F469 | S446-E448 PolarHBondContact O-N 3.11Å; S446-E448 PolarHBondContact OG-N 3.49Å; S446-A449 PolarHBondContact N-O 3.16Å; S446-A449 PolarHBondContact OG-N 2.89Å; S446-A449 PolarHBondContact OG-O 3.28Å; S446-F469 WeakPolarHBondContact O-CZ 3.41Å | ||
| 447 | D | 93.5 | Very high | 92.7 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 51% | 0.508 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -74.4 | -5.9 | 169.2 | 53.3 | -27.6 | 0 | 0 | 0 | 113.4 | I427 F469 | I427-D447 HydrophobicContact CG2-CB 4.41Å; D447-F469 WeakPolarHBondContact O-CE2 3.44Å |
| 448 | E | 94.5 | Very high | 92.6 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -111.3 | -37.4 | -179.4 | -65.3 | 173.7 | 165.6 | 0 | 0 | 112.9 | S446 H468 F469 A470 K495 G496 L512 | S446-E448 PolarHBondContact O-N 3.11Å; S446-E448 PolarHBondContact OG-N 3.49Å; E448-H468 PolarHBondContact O-CD2 3.43Å; E448-F469 PolarHBondContact O-N 3.09Å; E448-A470 HydrophobicContact CB-CB 4.17Å; E448-A470 VanDerWaalsContact O-CB 3.24Å; E448-A470 WeakPolarHBondContact O-CB 3.5Å; E448-A470 PolarHBondContact O-N 3.26Å; E448-K495 WeakPolarHBondContact OE1-CE 3.48Å; E448-K495 WeakPolarHBondContact OE1-CG 3.34Å; E448-G496 PolarHBondContact OE2-N 2.97Å; E448-L512 HydrophobicContact CB-CD1 3.71Å |
| 449 | A | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -149.3 | 161.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S446 I466 S467 H468 F469 L493 L512 | S446-A449 PolarHBondContact N-O 3.16Å; S446-A449 PolarHBondContact OG-N 2.89Å; S446-A449 PolarHBondContact OG-O 3.28Å; A449-I466 HydrophobicContact CB-CG2 4.47Å; A449-S467 CarbonylContact C-O 3.56Å; A449-S467 VanDerWaalsContact CA-O 3.31Å; A449-S467 WeakPolarHBondContact CA-O 3.37Å; A449-H468 HydrophobicContact CB-CB 4.4Å; A449-F469 VanDerWaalsContact CA-CE1 3.43Å; A449-L493 VanDerWaalsContact O-CD1 3.28Å; A449-L493 WeakPolarHBondContact O-CD1 3.45Å; A449-L512 HydrophobicContact CB-CD1 4.02Å; A449-L512 HydrophobicContact CB-CD2 3.82Å; A449-L512 HydrophobicContact CB-CG 4.45Å | ||
| 450 | V | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141.6 | 160.9 | -162.6 | 0 | 0 | 0 | 0 | 108 | I406 V420 L431 L445 F452 S467 F469 | I406-V450 HydrophobicContact CD1-CG1 4.01Å; V420-V450 HydrophobicContact CG1-CG2 4.24Å; V420-V450 HydrophobicContact CG2-CG1 4.1Å; V420-V450 HydrophobicContact CG2-CG2 4.45Å; L431-V450 HydrophobicContact CD1-CG2 3.9Å; L445-V450 HydrophobicContact CD1-CB 4.46Å; L445-V450 HydrophobicContact CD1-CG1 4.4Å; L445-V450 HydrophobicContact CD1-CG2 3.73Å; V450-F452 HydrophobicContact CG1-CD1 4.41Å; V450-F452 HydrophobicContact CG1-CE1 3.65Å; V450-F452 HydrophobicContact CG1-CE2 4.27Å; V450-F452 HydrophobicContact CG1-CZ 3.56Å; V450-S467 PolarHBondContact N-O 3.39Å; V450-S467 PolarHBondContact O-N 2.85Å; V450-F469 HydrophobicContact CG2-CD1 3.93Å; V450-F469 HydrophobicContact CG2-CE1 3.8Å |
| 451 | A | 97.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G443 D444 F465 I466 L491 L493 V498 | G443-A451 CarbonylContact C-O 3.47Å; G443-A451 WeakPolarHBondContact CA-O 3.16Å; D444-A451 PolarHBondContact N-O 2.83Å; D444-A451 PolarHBondContact O-N 3.32Å; A451-F465 CarbonylContact C-O 3.21Å; A451-F465 WeakPolarHBondContact CA-O 3Å; A451-I466 HydrophobicContact CB-CG1 4.26Å; A451-L491 HydrophobicContact CB-CD1 4.44Å; A451-L491 HydrophobicContact CB-CD2 3.92Å; A451-L491 HydrophobicContact CB-CG 4.48Å; A451-L493 HydrophobicContact CB-CD1 4.19Å; A451-L493 HydrophobicContact CB-CD2 3.97Å; A451-L493 HydrophobicContact CB-CG 4.21Å; A451-V498 HydrophobicContact CB-CG2 4.3Å |
| 452 | F | 97.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154 | 177.2 | -55.8 | -52.9 | 0 | 0 | 0 | 110.3 | M398 I406 I418 V420 F433 Y440 I442 V450 V464 F465 | M398-F452 HydrophobicContact CE-CD1 4.06Å; I406-F452 HydrophobicContact CD1-CE1 4.09Å; I406-F452 HydrophobicContact CG2-CE1 3.8Å; I418-F452 HydrophobicContact CG2-CE1 3.77Å; I418-F452 HydrophobicContact CG2-CE2 4.49Å; I418-F452 HydrophobicContact CG2-CZ 3.68Å; V420-F452 HydrophobicContact CG2-CZ 4.03Å; F433-F452 HydrophobicContact CB-CE2 4.42Å; F433-F452 HydrophobicContact CD1-CE2 4.27Å; F433-F452 AromaticContact CD2-CE2 3.6Å; F433-F452 HydrophobicContact CD2-CE2 3.6Å; F433-F452 AromaticContact CD2-CZ 3.72Å; F433-F452 HydrophobicContact CD2-CZ 3.72Å; F433-F452 HydrophobicContact CE1-CE2 4.44Å; F433-F452 AromaticContact CE2-CE2 3.79Å; F433-F452 HydrophobicContact CE2-CE2 3.79Å; F433-F452 AromaticContact CE2-CZ 3.86Å; F433-F452 HydrophobicContact CE2-CZ 3.86Å; F433-F452 AromaticContact CG-CE2 3.85Å; F433-F452 HydrophobicContact CG-CE2 3.85Å; F433-F452 HydrophobicContact CG-CZ 4.39Å; F433-F452 HydrophobicContact CZ-CE2 4.21Å; Y440-F452 HydrophobicContact CD1-CB 3.86Å; Y440-F452 HydrophobicContact CD2-CB 4.02Å; Y440-F452 HydrophobicContact CD2-CD2 4.29Å; Y440-F452 HydrophobicContact CD2-CG 4.41Å; Y440-F452 HydrophobicContact CE1-CB 4.39Å; Y440-F452 HydrophobicContact CG-CB 3.66Å; Y440-F452 HydrophobicContact CG-CG 4.42Å; I442-F452 CarbonylContact O-C 3.6Å; I442-F452 VanDerWaalsContact O-CA 3.3Å; I442-F452 WeakPolarHBondContact O-CA 3.38Å; V450-F452 HydrophobicContact CG1-CD1 4.41Å; V450-F452 HydrophobicContact CG1-CE1 3.65Å; V450-F452 HydrophobicContact CG1-CE2 4.27Å; V450-F452 HydrophobicContact CG1-CZ 3.56Å; F452-V464 CarbonylContact O-C 3.6Å; F452-V464 WeakPolarHBondContact O-CA 3.24Å; F452-F465 AromaticContact CD2-CD1 3.61Å; F452-F465 HydrophobicContact CD2-CD1 3.61Å; F452-F465 HydrophobicContact CD2-CE1 4.08Å; F452-F465 HydrophobicContact CE2-CD1 4.25Å; F452-F465 HydrophobicContact CE2-CE1 4.26Å; F452-F465 PolarHBondContact N-O 3.35Å; F452-F465 PolarHBondContact O-N 2.9Å |
| 453 | A | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 148.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S441 I442 Q463 V464 V488 L491 | S441-A453 PolarHBondContact N-O 3.37Å; I442-A453 HydrophobicContact CB-CB 4.29Å; I442-A453 PolarHBondContact N-O 3.46Å; I442-A453 PolarHBondContact O-N 2.95Å; A453-Q463 CarbonylContact C-O 3.59Å; A453-Q463 WeakPolarHBondContact CA-O 3.16Å; A453-V464 HydrophobicContact CB-CG2 4.17Å; A453-V488 HydrophobicContact CB-CB 4.06Å; A453-V488 HydrophobicContact CB-CG1 3.75Å; A453-V488 HydrophobicContact CB-CG2 4.24Å; A453-L491 HydrophobicContact CB-CD2 4.13Å |
| 454 | S | 93.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -104 | 151.3 | 173.7 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | S438 S462 Q463 | S438-S454 WeakPolarHBondContact O-CB 3.38Å; S454-S462 WeakPolarHBondContact O-CB 3.36Å; S454-S462 PolarHBondContact O-OG 3.04Å; S454-Q463 PolarHBondContact N-O 3.4Å; S454-Q463 PolarHBondContact OG-N 3.23Å |
| 455 | Y | 92.2 | Very high | 91.6 | Very high | 108 Ų | 108 | 41 Ų | 41 | 42% | 0.424 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -75 | 159.6 | 164.3 | -62.2 | -65.2 | 0 | 0 | 0 | 109.9 | S441 I442 S487 V488 | S441-Y455 WeakPolarHBondContact OG-CD2 3.15Å; S441-Y455 WeakPolarHBondContact OG-CE2 3.41Å; I442-Y455 HydrophobicContact CD1-CE1 3.82Å; I442-Y455 HydrophobicContact CG1-CE1 4.38Å; Y455-S487 WeakPolarHBondContact CA-OG 3.17Å; Y455-V488 VanDerWaalsContact CD1-O 3.24Å; Y455-V488 WeakPolarHBondContact CD1-O 3.31Å; Y455-V488 WeakPolarHBondContact CE1-O 3.16Å |
| 456 | E | 88.3 | Confident | 91.6 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 134 | 165.6 | -174.9 | 167.7 | -143.2 | 0 | 0 | 110.3 | G485 S487 | E456-G485 WeakPolarHBondContact OE1-CA 3.29Å; E456-G485 PolarHBondContact OE1-N 3.18Å; E456-G485 WeakPolarHBondContact OE2-CA 3.44Å; E456-G485 PolarHBondContact OE2-N 2.91Å; E456-S487 PolarHBondContact N-OG 2.58Å; E456-S487 VanDerWaalsContact N-OG 3.11Å |
| 457 | D | 82.1 | Confident | 91.6 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -125.3 | 159.3 | 178.1 | -171.7 | 5.4 | 0 | 0 | 0 | 108.2 | K439 N459 S460 | K439-D457 IonicContact NZ-OD2 3.32Å; K439-D457 PolarHBondContact NZ-OD2 2.76Å; D457-N459 PolarHBondContact O-N 2.88Å; D457-S460 PolarHBondContact N-O 2.74Å; D457-S460 PolarHBondContact O-N 3.1Å |
| 458 | E | 79 | Confident | 91.7 | Very high | 181 Ų | 181 | 37.7 Ų | 37.7 | 85% | 0.846 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25 | -173.1 | -64.5 | -173.5 | 163.7 | 0 | 0 | 113.5 | ||
| 459 | N | 76 | Confident | 91.7 | Very high | 152 Ų | 152 | 36.4 Ų | 36.4 | 81% | 0.813 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | -5 | -176.8 | -61 | -71.7 | 0 | 0 | 0 | 114.2 | D457 | D457-N459 PolarHBondContact O-N 2.88Š|
| 460 | S | 81.1 | Confident | 91.5 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | B | Isolated β-bridge | trans | -153 | 129.5 | -174.8 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | D457 | D457-S460 PolarHBondContact N-O 2.74Å; D457-S460 PolarHBondContact O-N 3.1Å |
| 461 | G | 86.2 | Confident | 91.2 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | trans | -61.9 | 160.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 462 | S | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | trans | -66.7 | 136.9 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | S454 V482 V488 | S454-S462 WeakPolarHBondContact O-CB 3.36Å; S454-S462 PolarHBondContact O-OG 3.04Å; S462-V482 VanDerWaalsContact O-CB 3.25Å; S462-V482 WeakPolarHBondContact O-CB 3.24Å; S462-V482 WeakPolarHBondContact O-CG2 3.35Å; S462-V482 PolarHBondContact O-N 2.96Å; S462-V488 WeakPolarHBondContact OG-CG2 3.5Å; S462-V488 PolarHBondContact OG-N 2.93Å | ||
| 463 | Q | 94.1 | Very high | 90.4 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.5 | 179.4 | -68.6 | -174.6 | -35.6 | 0 | 0 | 110.6 | A453 S454 I480 D481 | A453-Q463 CarbonylContact C-O 3.59Å; A453-Q463 WeakPolarHBondContact CA-O 3.16Å; S454-Q463 PolarHBondContact N-O 3.4Å; S454-Q463 PolarHBondContact OG-N 3.23Å; Q463-I480 WeakPolarHBondContact CA-O 3.19Å; Q463-D481 PolarHBondContact NE2-OD1 3.17Å |
| 464 | V | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.7 | 167.2 | -173 | 0 | 0 | 0 | 0 | 108.5 | F452 A453 I466 Y479 I480 V482 V488 L491 F500 | F452-V464 CarbonylContact O-C 3.6Å; F452-V464 WeakPolarHBondContact O-CA 3.24Å; A453-V464 HydrophobicContact CB-CG2 4.17Å; V464-I466 HydrophobicContact CG1-CD1 3.9Å; V464-Y479 CarbonylContact O-C 3.49Å; V464-Y479 WeakPolarHBondContact O-CA 3.37Å; V464-Y479 WeakPolarHBondContact O-CB 3.39Å; V464-I480 HydrophobicContact CB-CB 4.26Å; V464-I480 HydrophobicContact CB-CD1 4.44Å; V464-I480 PolarHBondContact N-O 3.43Å; V464-I480 PolarHBondContact O-N 3.46Å; V464-V482 HydrophobicContact CG2-CG2 4.21Å; V464-V488 HydrophobicContact CG2-CG2 3.66Å; V464-L491 HydrophobicContact CG1-CD1 3.94Å; V464-F500 HydrophobicContact CG2-CD1 4.16Å; V464-F500 HydrophobicContact CG2-CD2 4.19Å; V464-F500 HydrophobicContact CG2-CE1 4.14Å; V464-F500 HydrophobicContact CG2-CE2 4.14Å; V464-F500 HydrophobicContact CG2-CG 4.19Å; V464-F500 HydrophobicContact CG2-CZ 4.12Å |
| 465 | F | 96.6 | Very high | 89.1 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.2 | 176.4 | 170 | -89.2 | 0 | 0 | 0 | 110.3 | F433 Y440 A451 F452 E477 | F433-F465 HydrophobicContact CD1-CE1 4.31Å; F433-F465 HydrophobicContact CD1-CZ 4.5Å; F433-F465 AromaticContact CE1-CE1 3.93Å; F433-F465 HydrophobicContact CE1-CE1 3.93Å; F433-F465 HydrophobicContact CE1-CZ 4.13Å; Y440-F465 HydrophobicContact CE1-CB 3.94Å; Y440-F465 HydrophobicContact CE2-CB 4.35Å; Y440-F465 WeakPolarHBondContact OH-CB 3.44Å; A451-F465 CarbonylContact C-O 3.21Å; A451-F465 WeakPolarHBondContact CA-O 3Å; F452-F465 AromaticContact CD2-CD1 3.61Å; F452-F465 HydrophobicContact CD2-CD1 3.61Å; F452-F465 HydrophobicContact CD2-CE1 4.08Å; F452-F465 HydrophobicContact CE2-CD1 4.25Å; F452-F465 HydrophobicContact CE2-CE1 4.26Å; F452-F465 PolarHBondContact N-O 3.35Å; F452-F465 PolarHBondContact O-N 2.9Å; F465-E477 HydrophobicContact CE2-CB 4.19Å; F465-E477 HydrophobicContact CZ-CB 4.19Å; F465-E477 HydrophobicContact CZ-CG 4.32Å |
| 466 | I | 96.7 | Very high | 89 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.4 | -179.5 | -57.6 | 85.6 | 0 | 0 | 0 | 108.9 | A449 A451 V464 E477 W478 I480 V498 | A449-I466 HydrophobicContact CB-CG2 4.47Å; A451-I466 HydrophobicContact CB-CG1 4.26Å; V464-I466 HydrophobicContact CG1-CD1 3.9Å; I466-E477 WeakPolarHBondContact O-CA 3.47Å; I466-W478 HydrophobicContact CB-CD2 4.3Å; I466-W478 HydrophobicContact CB-CZ2 3.95Å; I466-W478 HydrophobicContact CD1-CD2 4.13Å; I466-W478 HydrophobicContact CD1-CE3 4.06Å; I466-W478 HydrophobicContact CD1-CH2 3.59Å; I466-W478 HydrophobicContact CD1-CZ2 3.69Å; I466-W478 HydrophobicContact CD1-CZ3 3.83Å; I466-W478 HydrophobicContact CG1-CH2 4.12Å; I466-W478 HydrophobicContact CG1-CZ2 3.74Å; I466-W478 HydrophobicContact CG2-CZ2 4.14Å; I466-W478 PolarHBondContact N-O 2.76Å; I466-W478 PolarHBondContact O-N 2.91Å; I466-I480 HydrophobicContact CD1-CD1 4.28Å; I466-I480 HydrophobicContact CD1-CG1 4.4Å; I466-V498 HydrophobicContact CG1-CG1 4.39Å |
| 467 | S | 95.8 | Very high | 89.2 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 3% | 0.028 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 95 | 168.7 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | A449 V450 F469 K476 E477 | A449-S467 CarbonylContact C-O 3.56Å; A449-S467 VanDerWaalsContact CA-O 3.31Å; A449-S467 WeakPolarHBondContact CA-O 3.37Å; V450-S467 PolarHBondContact N-O 3.39Å; V450-S467 PolarHBondContact O-N 2.85Å; S467-F469 VanDerWaalsContact C-N 3.29Å; S467-F469 PolarHBondContact O-N 3.09Å; S467-F469 VanDerWaalsContact O-N 3.08Å; S467-K476 CarbonylContact C-O 3.6Å; S467-E477 PolarHBondContact OG-OE1 3.43Å |
| 468 | H | 95.2 | Very high | 89.8 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 17% | 0.167 | 34% | 0.343 | C | S | . | . | trans | -83.1 | 70.1 | -179.7 | -176.2 | -161.6 | 0 | 0 | 0 | 110 | E448 A449 A470 S471 K476 L512 | E448-H468 PolarHBondContact O-CD2 3.43Å; A449-H468 HydrophobicContact CB-CB 4.4Å; H468-A470 PolarHBondContact O-N 3.36Å; H468-S471 WeakPolarHBondContact O-CB 3.13Å; H468-S471 PolarHBondContact O-N 2.97Å; H468-K476 PolarHBondContact N-O 3.46Å; H468-L512 PolarHBondContact ND1-O 2.7Å | ||
| 469 | F | 93.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.6 | -174.4 | 59.6 | -101.4 | 0 | 0 | 0 | 113.5 | F422 I427 H428 L431 S446 D447 E448 A449 V450 S467 S471 K476 | F422-F469 AromaticContact CE1-CE1 3.93Å; F422-F469 HydrophobicContact CE1-CE1 3.93Å; F422-F469 HydrophobicContact CE1-CE2 4.32Å; F422-F469 AromaticContact CE1-CZ 3.6Å; F422-F469 HydrophobicContact CE1-CZ 3.6Å; F422-F469 HydrophobicContact CZ-CD1 4.31Å; F422-F469 AromaticContact CZ-CE1 3.68Å; F422-F469 HydrophobicContact CZ-CE1 3.68Å; F422-F469 HydrophobicContact CZ-CE2 4.44Å; F422-F469 AromaticContact CZ-CZ 3.78Å; F422-F469 HydrophobicContact CZ-CZ 3.78Å; I427-F469 HydrophobicContact CG2-CE2 4.11Å; I427-F469 HydrophobicContact CG2-CZ 4.43Å; H428-F469 HydrophobicContact CB-CD2 4.08Å; H428-F469 HydrophobicContact CB-CE2 4.14Å; H428-F469 AromaticContact CD2-CD2 3.72Å; H428-F469 AromaticContact CD2-CG 3.99Å; H428-F469 AromaticContact CG-CD2 3.99Å; L431-F469 HydrophobicContact CD1-CD1 4.25Å; S446-F469 WeakPolarHBondContact O-CZ 3.41Å; D447-F469 WeakPolarHBondContact O-CE2 3.44Å; E448-F469 PolarHBondContact O-N 3.09Å; A449-F469 VanDerWaalsContact CA-CE1 3.43Å; V450-F469 HydrophobicContact CG2-CD1 3.93Å; V450-F469 HydrophobicContact CG2-CE1 3.8Å; S467-F469 VanDerWaalsContact C-N 3.29Å; S467-F469 PolarHBondContact O-N 3.09Å; S467-F469 VanDerWaalsContact O-N 3.08Å; F469-S471 PolarHBondContact O-N 3.44Å; F469-K476 PolarHBondContact O-NZ 3.31Å |
| 470 | A | 92.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -3.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E448 H468 W472 | E448-A470 HydrophobicContact CB-CB 4.17Å; E448-A470 VanDerWaalsContact O-CB 3.24Å; E448-A470 WeakPolarHBondContact O-CB 3.5Å; E448-A470 PolarHBondContact O-N 3.26Å; H468-A470 PolarHBondContact O-N 3.36Å; A470-W472 PolarHBondContact O-N 3.27Å |
| 471 | S | 92.4 | Very high | 92 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 12% | 0.119 | 31% | 0.305 | C | S | . | . | trans | -54.3 | 134.6 | 172.4 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | H468 F469 D473 K476 | H468-S471 WeakPolarHBondContact O-CB 3.13Å; H468-S471 PolarHBondContact O-N 2.97Å; F469-S471 PolarHBondContact O-N 3.44Å; S471-D473 VanDerWaalsContact C-N 3.3Å; S471-D473 PolarHBondContact OG-N 3Å; S471-D473 VanDerWaalsContact OG-N 3.15Å; S471-D473 PolarHBondContact OG-O 3.01Å; S471-D473 VanDerWaalsContact OG-O 3.06Å; S471-K476 WeakPolarHBondContact O-CE 3.27Å; S471-K476 PolarHBondContact O-NZ 2.85Å | ||
| 472 | W | 89.6 | Confident | 92.3 | Very high | 239 Ų | 239 | 59.1 Ų | 59.1 | 91% | 0.905 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -81.7 | -11.8 | 172.1 | 55.5 | -95.4 | 0 | 0 | 0 | 112.6 | A470 | A470-W472 PolarHBondContact O-N 3.27Š|
| 473 | D | 87.8 | Confident | 92.2 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -110.6 | 166.9 | 179.4 | -159.3 | 6.6 | 0 | 0 | 0 | 112 | S471 | S471-D473 VanDerWaalsContact C-N 3.3Å; S471-D473 PolarHBondContact OG-N 3Å; S471-D473 VanDerWaalsContact OG-N 3.15Å; S471-D473 PolarHBondContact OG-O 3.01Å; S471-D473 VanDerWaalsContact OG-O 3.06Å |
| 474 | S | 78.3 | Confident | 91.9 | Very high | 98 Ų | 98 | 68.3 Ų | 68.3 | 69% | 0.685 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -117 | 116.8 | 171 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 475 | P | 83.9 | Confident | 91.4 | Very high | 106 Ų | 106 | 70.5 Ų | 70.5 | 69% | 0.688 | 36% | 0.364 | S | S | * | . | cis | -90.4 | 154 | 31.4 | 33.9 | -37.3 | 0 | 0 | 0 | 115.4 | ||||
| 476 | K | 90.6 | Very high | 91.2 | Very high | 83 Ų | 83 | 69.6 Ų | 69.6 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | trans | -102.1 | -8.5 | 173 | -60.1 | -157.5 | 169 | -157.8 | 0 | 113.8 | S467 H468 F469 S471 | S467-K476 CarbonylContact C-O 3.6Å; H468-K476 PolarHBondContact N-O 3.46Å; F469-K476 PolarHBondContact O-NZ 3.31Å; S471-K476 WeakPolarHBondContact O-CE 3.27Å; S471-K476 PolarHBondContact O-NZ 2.85Å | ||
| 477 | E | 93.4 | Very high | 91 | Very high | 101 Ų | 101 | 70.4 Ų | 70.4 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.8 | -170.6 | -53.5 | -165.1 | 137.8 | 0 | 0 | 110.7 | F465 I466 S467 | F465-E477 HydrophobicContact CE2-CB 4.19Å; F465-E477 HydrophobicContact CZ-CB 4.19Å; F465-E477 HydrophobicContact CZ-CG 4.32Å; I466-E477 WeakPolarHBondContact O-CA 3.47Å; S467-E477 PolarHBondContact OG-OE1 3.43Å |
| 478 | W | 94.1 | Very high | 91 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 21% | 0.208 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 168 | 179.1 | 61.3 | -79.2 | 0 | 0 | 0 | 110.4 | I466 I480 T511 L512 G514 | I466-W478 HydrophobicContact CB-CD2 4.3Å; I466-W478 HydrophobicContact CB-CZ2 3.95Å; I466-W478 HydrophobicContact CD1-CD2 4.13Å; I466-W478 HydrophobicContact CD1-CE3 4.06Å; I466-W478 HydrophobicContact CD1-CH2 3.59Å; I466-W478 HydrophobicContact CD1-CZ2 3.69Å; I466-W478 HydrophobicContact CD1-CZ3 3.83Å; I466-W478 HydrophobicContact CG1-CH2 4.12Å; I466-W478 HydrophobicContact CG1-CZ2 3.74Å; I466-W478 HydrophobicContact CG2-CZ2 4.14Å; I466-W478 PolarHBondContact N-O 2.76Å; I466-W478 PolarHBondContact O-N 2.91Å; W478-I480 HydrophobicContact CE3-CG1 4.14Å; W478-I480 HydrophobicContact CH2-CD1 3.97Å; W478-I480 HydrophobicContact CH2-CG1 4.22Å; W478-I480 HydrophobicContact CZ3-CD1 3.68Å; W478-I480 HydrophobicContact CZ3-CG1 3.43Å; W478-I480 VanDerWaalsContact CZ3-CG1 3.43Å; W478-T511 WeakPolarHBondContact CZ2-O 3.44Å; W478-L512 PolarHBondContact NE1-O 2.75Å; W478-G514 VanDerWaalsContact CH2-CA 3.41Å |
| 479 | Y | 93.9 | Very high | 90.9 | Very high | 146 Ų | 146 | 70.8 Ų | 70.8 | 57% | 0.573 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.6 | -178.3 | 62.4 | -86.3 | 0 | 0 | 0 | 112.3 | V464 | V464-Y479 CarbonylContact O-C 3.49Å; V464-Y479 WeakPolarHBondContact O-CA 3.37Å; V464-Y479 WeakPolarHBondContact O-CB 3.39Å |
| 480 | I | 94.7 | Very high | 91 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.9 | 175.4 | -53.3 | 169.6 | 0 | 0 | 0 | 107.1 | Q463 V464 I466 W478 F500 Y510 | Q463-I480 WeakPolarHBondContact CA-O 3.19Å; V464-I480 HydrophobicContact CB-CB 4.26Å; V464-I480 HydrophobicContact CB-CD1 4.44Å; V464-I480 PolarHBondContact N-O 3.43Å; V464-I480 PolarHBondContact O-N 3.46Å; I466-I480 HydrophobicContact CD1-CD1 4.28Å; I466-I480 HydrophobicContact CD1-CG1 4.4Å; W478-I480 HydrophobicContact CE3-CG1 4.14Å; W478-I480 HydrophobicContact CH2-CD1 3.97Å; W478-I480 HydrophobicContact CH2-CG1 4.22Å; W478-I480 HydrophobicContact CZ3-CD1 3.68Å; W478-I480 HydrophobicContact CZ3-CG1 3.43Å; W478-I480 VanDerWaalsContact CZ3-CG1 3.43Å; I480-F500 HydrophobicContact CD1-CE1 3.77Å; I480-F500 HydrophobicContact CD1-CZ 4.2Å; I480-F500 HydrophobicContact CG2-CZ 4.42Å; I480-Y510 HydrophobicContact CD1-CD1 4.2Å; I480-Y510 HydrophobicContact CD1-CD2 3.81Å; I480-Y510 HydrophobicContact CD1-CE1 4.14Å; I480-Y510 HydrophobicContact CD1-CE2 3.77Å; I480-Y510 HydrophobicContact CD1-CG 4.05Å |
| 481 | D | 93.3 | Very high | 91.2 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.9 | 163.9 | -64.1 | -51.2 | 0 | 0 | 0 | 108.9 | Q463 | Q463-D481 PolarHBondContact NE2-OD1 3.17Å |
| 482 | V | 93.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 67.1 Ų | 67.1 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 142 | 176.8 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | S462 V464 E486 V488 F500 T502 | S462-V482 VanDerWaalsContact O-CB 3.25Å; S462-V482 WeakPolarHBondContact O-CB 3.24Å; S462-V482 WeakPolarHBondContact O-CG2 3.35Å; S462-V482 PolarHBondContact O-N 2.96Å; V464-V482 HydrophobicContact CG2-CG2 4.21Å; V482-E486 HydrophobicContact CG1-CB 3.91Å; V482-E486 HydrophobicContact CG1-CG 3.65Å; V482-E486 WeakPolarHBondContact CG1-O 3.37Å; V482-V488 HydrophobicContact CG2-CG2 3.92Å; V482-F500 HydrophobicContact CG2-CE2 4.16Å; V482-T502 HydrophobicContact CG1-CG2 4.4Å |
| 483 | P | 91.4 | Very high | 91.7 | Very high | 68 Ų | 68 | 56 Ų | 56 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 143.8 | -178.9 | -28.2 | 36.4 | 0 | 0 | 0 | 113.4 | G485 E486 | P483-G485 PolarHBondContact O-N 3.3Å; P483-E486 HydrophobicContact CB-CB 4.5Å; P483-E486 WeakPolarHBondContact O-CA 3.2Å; P483-E486 VanDerWaalsContact O-CB 3.29Å; P483-E486 WeakPolarHBondContact O-CB 3.34Å; P483-E486 PolarHBondContact O-N 3.08Å |
| 484 | F | 86.3 | Confident | 92 | Very high | 175 Ų | 175 | 52.1 Ų | 52.1 | 77% | 0.768 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134.9 | 178.2 | -164.6 | -94.8 | 0 | 0 | 0 | 111.4 | E486 | F484-E486 VanDerWaalsContact C-N 3.32Š|
| 485 | G | 85.7 | Confident | 92.6 | Very high | 46 Ų | 46 | 54 Ų | 54 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -4.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115 | E456 P483 | E456-G485 WeakPolarHBondContact OE1-CA 3.29Å; E456-G485 PolarHBondContact OE1-N 3.18Å; E456-G485 WeakPolarHBondContact OE2-CA 3.44Å; E456-G485 PolarHBondContact OE2-N 2.91Å; P483-G485 PolarHBondContact O-N 3.3Å |
| 486 | E | 92.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -113 | 111.9 | 175.4 | -176 | 178.5 | 174 | 0 | 0 | 110 | V482 P483 F484 T502 S504 R508 | V482-E486 HydrophobicContact CG1-CB 3.91Å; V482-E486 HydrophobicContact CG1-CG 3.65Å; V482-E486 WeakPolarHBondContact CG1-O 3.37Å; P483-E486 HydrophobicContact CB-CB 4.5Å; P483-E486 WeakPolarHBondContact O-CA 3.2Å; P483-E486 VanDerWaalsContact O-CB 3.29Å; P483-E486 WeakPolarHBondContact O-CB 3.34Å; P483-E486 PolarHBondContact O-N 3.08Å; F484-E486 VanDerWaalsContact C-N 3.32Å; E486-T502 VanDerWaalsContact CG-CB 3.42Å; E486-T502 HydrophobicContact CG-CG2 3.86Å; E486-T502 WeakPolarHBondContact CG-OG1 3.32Å; E486-T502 VanDerWaalsContact OE1-CB 3.24Å; E486-T502 WeakPolarHBondContact OE1-CB 3.24Å; E486-T502 WeakPolarHBondContact OE1-CG2 3.44Å; E486-T502 PolarHBondContact OE1-OG1 3.35Å; E486-S504 WeakPolarHBondContact CG-OG 3.35Å; E486-R508 IonicContact OE1-CZ 3.68Å; E486-R508 IonicContact OE1-NE 3.17Å; E486-R508 PolarHBondContact OE1-NE 2.85Å; E486-R508 IonicContact OE1-NH2 3.93Å; E486-R508 PolarHBondContact OE1-NH2 3.07Å; E486-R508 IonicContact OE2-CZ 2.81Å; E486-R508 IonicContact OE2-NE 3.29Å; E486-R508 IonicContact OE2-NH2 3.18Å; E486-R508 PolarHBondContact OE2-NH2 2.81Å | ||
| 487 | S | 93.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | trans | -106.4 | 136.7 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | Y455 E456 T502 S503 | Y455-S487 WeakPolarHBondContact CA-OG 3.17Å; E456-S487 PolarHBondContact N-OG 2.58Å; E456-S487 VanDerWaalsContact N-OG 3.11Å; S487-T502 CarbonylContact O-C 3.54Å; S487-T502 WeakPolarHBondContact O-CA 3.39Å; S487-T502 WeakPolarHBondContact O-CB 3.43Å; S487-S503 PolarHBondContact N-OG 2.8Å; S487-S503 PolarHBondContact O-N 2.85Å | ||
| 488 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 138.2 | 169.1 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | I442 A453 Y455 S462 V464 V482 F500 T502 | I442-V488 HydrophobicContact CD1-CG1 3.97Å; A453-V488 HydrophobicContact CB-CB 4.06Å; A453-V488 HydrophobicContact CB-CG1 3.75Å; A453-V488 HydrophobicContact CB-CG2 4.24Å; Y455-V488 VanDerWaalsContact CD1-O 3.24Å; Y455-V488 WeakPolarHBondContact CD1-O 3.31Å; Y455-V488 WeakPolarHBondContact CE1-O 3.16Å; S462-V488 WeakPolarHBondContact OG-CG2 3.5Å; S462-V488 PolarHBondContact OG-N 2.93Å; V464-V488 HydrophobicContact CG2-CG2 3.66Å; V482-V488 HydrophobicContact CG2-CG2 3.92Å; V488-F500 HydrophobicContact CG1-CB 4.2Å; V488-F500 HydrophobicContact CG2-CD2 3.91Å; V488-F500 HydrophobicContact CG2-CE2 4.31Å; V488-T502 HydrophobicContact CG2-CG2 4.49Å |
| 489 | Q | 93.7 | Very high | 93.2 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -31.9 | 178 | -68.2 | -171.5 | -23.6 | 0 | 0 | 112.3 | P383 A501 V526 | P383-Q489 HydrophobicContact CB-CB 4.08Å; P383-Q489 HydrophobicContact CG-CB 4.08Å; P383-Q489 HydrophobicContact CG-CG 4.32Å; Q489-A501 PolarHBondContact N-O 3.4Å; Q489-V526 HydrophobicContact CB-CG1 3.9Å |
| 490 | C | 95.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 146.5 | 176.8 | -73.9 | 0 | 0 | 0 | 0 | 109.8 | F500 A501 V526 M529 | C490-F500 CarbonylContact O-C 3.55Å; C490-F500 WeakPolarHBondContact O-CA 3.23Å; C490-F500 VanDerWaalsContact O-CB 3.28Å; C490-F500 WeakPolarHBondContact O-CB 3.42Å; C490-A501 HydrophobicContact CB-CB 4.44Å; C490-A501 PolarHBondContact N-O 3.02Å; C490-A501 PolarHBondContact O-N 3.25Å; C490-V526 HydrophobicContact CB-CG2 4.34Å; C490-M529 HydrophobicContact CB-CB 4.11Å; C490-M529 HydrophobicContact CB-CG 3.86Å; C490-M529 HydrophobicContact CB-SD 3.51Å; C490-M529 VanDerWaalsContact CB-SD 3.51Å |
| 491 | L | 96.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.4 | 179.9 | 176.1 | 69.2 | 0 | 0 | 0 | 108.5 | I442 A451 A453 V464 V498 F500 | I442-L491 HydrophobicContact CG2-CB 3.74Å; A451-L491 HydrophobicContact CB-CD1 4.44Å; A451-L491 HydrophobicContact CB-CD2 3.92Å; A451-L491 HydrophobicContact CB-CG 4.48Å; A453-L491 HydrophobicContact CB-CD2 4.13Å; V464-L491 HydrophobicContact CG1-CD1 3.94Å; L491-V498 HydrophobicContact CD1-CG2 3.69Å; L491-F500 HydrophobicContact CD1-CB 3.96Å |
| 492 | C | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 152.2 | 171.3 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | D444 A499 A531 L536 | D444-C492 WeakPolarHBondContact OD2-CA 3.24Å; C492-A499 PolarHBondContact N-O 2.86Å; C492-A499 PolarHBondContact O-N 2.82Å; C492-A531 HydrophobicContact CB-CB 4.09Å; C492-L536 WeakPolarHBondContact SG-CD1 3.41Å |
| 493 | L | 96.2 | Very high | 93.5 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.2 | 176.1 | -68.7 | 168.5 | 0 | 0 | 0 | 111.6 | D444 A449 A451 V498 L512 A531 | D444-L493 HydrophobicContact CB-CD1 4.34Å; D444-L493 HydrophobicContact CB-CG 4.31Å; D444-L493 WeakPolarHBondContact O-CD1 3.45Å; D444-L493 PolarHBondContact OD2-N 2.95Å; A449-L493 VanDerWaalsContact O-CD1 3.28Å; A449-L493 WeakPolarHBondContact O-CD1 3.45Å; A451-L493 HydrophobicContact CB-CD1 4.19Å; A451-L493 HydrophobicContact CB-CD2 3.97Å; A451-L493 HydrophobicContact CB-CG 4.21Å; L493-V498 HydrophobicContact CD2-CB 3.73Å; L493-V498 HydrophobicContact CD2-CG2 3.73Å; L493-L512 HydrophobicContact CD2-CD2 3.69Å; L493-A531 WeakPolarHBondContact O-CB 3.45Å |
| 494 | G | 93.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | trans | -100.1 | -167 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W497 | G494-W497 PolarHBondContact N-O 3.24Š| ||
| 495 | K | 91.2 | Very high | 93.8 | Very high | 138 Ų | 138 | 25.2 Ų | 25.2 | 60% | 0.6 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -85.1 | 114.2 | 174.1 | -176.5 | 171.5 | -176.4 | 167.1 | 0 | 110.1 | E448 W497 G533 | E448-K495 WeakPolarHBondContact OE1-CE 3.48Å; E448-K495 WeakPolarHBondContact OE1-CG 3.34Å; K495-W497 VanDerWaalsContact C-N 3.26Å; K495-W497 PolarHBondContact O-N 2.76Å; K495-W497 PolarHBondContact O-NE1 3.36Å; K495-G533 PolarHBondContact N-O 3.47Å |
| 496 | G | 91.1 | Very high | 94.1 | Very high | 34 Ų | 34 | 24.7 Ų | 24.7 | 35% | 0.351 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 77.7 | -1.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E448 T511 L512 | E448-G496 PolarHBondContact OE2-N 2.97Å; G496-T511 CarbonylContact O-C 3.54Å; G496-T511 WeakPolarHBondContact O-CA 3.41Å; G496-L512 PolarHBondContact O-N 2.86Å |
| 497 | W | 93.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 157.8 | -177.5 | 58 | -91.2 | 0 | 0 | 0 | 114.7 | G494 K495 A499 V509 Y510 M517 A531 G533 L536 F559 | G494-W497 PolarHBondContact N-O 3.24Å; K495-W497 VanDerWaalsContact C-N 3.26Å; K495-W497 PolarHBondContact O-N 2.76Å; K495-W497 PolarHBondContact O-NE1 3.36Å; W497-A499 HydrophobicContact CE3-CB 4.04Å; W497-A499 HydrophobicContact CZ3-CB 3.72Å; W497-V509 HydrophobicContact CB-CG1 4.48Å; W497-V509 HydrophobicContact CD2-CG1 4.46Å; W497-V509 HydrophobicContact CE3-CG1 3.93Å; W497-Y510 CarbonylContact C-O 3.59Å; W497-Y510 VanDerWaalsContact CA-O 3.23Å; W497-Y510 WeakPolarHBondContact CA-O 3.28Å; W497-Y510 VanDerWaalsContact CB-O 3.24Å; W497-Y510 WeakPolarHBondContact CB-O 3.45Å; W497-M517 HydrophobicContact CB-CE 3.45Å; W497-M517 VanDerWaalsContact CB-CE 3.45Å; W497-M517 HydrophobicContact CG-CE 4.02Å; W497-A531 HydrophobicContact CH2-CB 3.36Å; W497-A531 HydrophobicContact CZ2-CB 4.14Å; W497-A531 HydrophobicContact CZ3-CB 3.87Å; W497-G533 PolarHBondContact NE1-O 3.39Å; W497-L536 HydrophobicContact CH2-CB 3.86Å; W497-L536 HydrophobicContact CH2-CD1 4.43Å; W497-F559 HydrophobicContact CD2-CB 4.46Å; W497-F559 HydrophobicContact CD2-CD2 4.31Å; W497-F559 HydrophobicContact CE3-CD2 4.35Å; W497-F559 AromaticContact CH2-CD2 3.91Å; W497-F559 HydrophobicContact CH2-CD2 3.91Å; W497-F559 HydrophobicContact CH2-CE2 4.37Å; W497-F559 AromaticContact CZ2-CD2 3.85Å; W497-F559 HydrophobicContact CZ2-CD2 3.85Å; W497-F559 HydrophobicContact CZ3-CD2 4.16Å; W497-F559 HydrophobicContact CZ3-CE2 4.43Å |
| 498 | V | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.6 | 174.5 | 61.9 | 0 | 0 | 0 | 0 | 109.4 | A451 I466 L491 L493 V509 Y510 L512 | A451-V498 HydrophobicContact CB-CG2 4.3Å; I466-V498 HydrophobicContact CG1-CG1 4.39Å; L491-V498 HydrophobicContact CD1-CG2 3.69Å; L493-V498 HydrophobicContact CD2-CB 3.73Å; L493-V498 HydrophobicContact CD2-CG2 3.73Å; V498-V509 WeakPolarHBondContact O-CA 3.35Å; V498-V509 WeakPolarHBondContact O-CG1 3.15Å; V498-Y510 PolarHBondContact N-O 2.82Å; V498-Y510 PolarHBondContact O-N 2.82Å; V498-L512 HydrophobicContact CB-CD2 4.33Å |
| 499 | A | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C492 W497 L507 R508 V509 M529 L536 | C492-A499 PolarHBondContact N-O 2.86Å; C492-A499 PolarHBondContact O-N 2.82Å; W497-A499 HydrophobicContact CE3-CB 4.04Å; W497-A499 HydrophobicContact CZ3-CB 3.72Å; A499-L507 HydrophobicContact CB-CD1 4.29Å; A499-R508 VanDerWaalsContact CA-O 3.3Å; A499-R508 WeakPolarHBondContact CA-O 3.36Å; A499-V509 HydrophobicContact CB-CB 4.45Å; A499-V509 HydrophobicContact CB-CG1 4.17Å; A499-V509 HydrophobicContact CB-CG2 3.97Å; A499-M529 HydrophobicContact CB-CE 4.23Å; A499-L536 HydrophobicContact CB-CD2 4.46Å |
| 500 | F | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.5 | 174.5 | 59 | -84.8 | 0 | 0 | 0 | 111.9 | V464 I480 V482 V488 C490 L491 T502 R508 Y510 | V464-F500 HydrophobicContact CG2-CD1 4.16Å; V464-F500 HydrophobicContact CG2-CD2 4.19Å; V464-F500 HydrophobicContact CG2-CE1 4.14Å; V464-F500 HydrophobicContact CG2-CE2 4.14Å; V464-F500 HydrophobicContact CG2-CG 4.19Å; V464-F500 HydrophobicContact CG2-CZ 4.12Å; I480-F500 HydrophobicContact CD1-CE1 3.77Å; I480-F500 HydrophobicContact CD1-CZ 4.2Å; I480-F500 HydrophobicContact CG2-CZ 4.42Å; V482-F500 HydrophobicContact CG2-CE2 4.16Å; V488-F500 HydrophobicContact CG1-CB 4.2Å; V488-F500 HydrophobicContact CG2-CD2 3.91Å; V488-F500 HydrophobicContact CG2-CE2 4.31Å; C490-F500 CarbonylContact O-C 3.55Å; C490-F500 WeakPolarHBondContact O-CA 3.23Å; C490-F500 VanDerWaalsContact O-CB 3.28Å; C490-F500 WeakPolarHBondContact O-CB 3.42Å; L491-F500 HydrophobicContact CD1-CB 3.96Å; F500-T502 HydrophobicContact CD2-CG2 3.76Å; F500-T502 HydrophobicContact CE2-CG2 3.98Å; F500-R508 HydrophobicContact CD1-CB 4.41Å; F500-R508 HydrophobicContact CD2-CB 4.33Å; F500-R508 HydrophobicContact CE1-CB 4.05Å; F500-R508 HydrophobicContact CE2-CB 3.99Å; F500-R508 VanDerWaalsContact CE2-CD 3.44Å; F500-R508 HydrophobicContact CE2-CG 4.31Å; F500-R508 HydrophobicContact CZ-CB 3.84Å; F500-R508 HydrophobicContact CZ-CG 4.44Å; F500-R508 PolarHBondContact N-O 2.85Å; F500-R508 PolarHBondContact O-N 3.09Å; F500-Y510 AromaticContact CE1-CD2 3.81Å; F500-Y510 HydrophobicContact CE1-CD2 3.81Å; F500-Y510 AromaticContact CE1-CE2 3.58Å; F500-Y510 HydrophobicContact CE1-CE2 3.58Å; F500-Y510 AromaticContact CZ-CE2 3.86Å; F500-Y510 HydrophobicContact CZ-CE2 3.86Å |
| 501 | A | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q489 C490 L506 I522 V526 M529 | Q489-A501 PolarHBondContact N-O 3.4Å; C490-A501 HydrophobicContact CB-CB 4.44Å; C490-A501 PolarHBondContact N-O 3.02Å; C490-A501 PolarHBondContact O-N 3.25Å; A501-L506 VanDerWaalsContact CA-O 3.29Å; A501-L506 WeakPolarHBondContact CA-O 3.08Å; A501-I522 HydrophobicContact CB-CD1 3.66Å; A501-V526 HydrophobicContact CB-CB 4.36Å; A501-V526 HydrophobicContact CB-CG1 4.03Å; A501-V526 HydrophobicContact CB-CG2 4.3Å; A501-M529 HydrophobicContact CB-CE 4.47Å; A501-M529 HydrophobicContact CB-SD 3.39Å; A501-M529 WeakPolarHBondContact CB-SD 3.48Å |
| 502 | T | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 165.7 | -171.7 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | V482 E486 S487 V488 F500 S504 R505 L506 | V482-T502 HydrophobicContact CG1-CG2 4.4Å; E486-T502 VanDerWaalsContact CG-CB 3.42Å; E486-T502 HydrophobicContact CG-CG2 3.86Å; E486-T502 WeakPolarHBondContact CG-OG1 3.32Å; E486-T502 VanDerWaalsContact OE1-CB 3.24Å; E486-T502 WeakPolarHBondContact OE1-CB 3.24Å; E486-T502 WeakPolarHBondContact OE1-CG2 3.44Å; E486-T502 PolarHBondContact OE1-OG1 3.35Å; S487-T502 CarbonylContact O-C 3.54Å; S487-T502 WeakPolarHBondContact O-CA 3.39Å; S487-T502 WeakPolarHBondContact O-CB 3.43Å; V488-T502 HydrophobicContact CG2-CG2 4.49Å; F500-T502 HydrophobicContact CD2-CG2 3.76Å; F500-T502 HydrophobicContact CE2-CG2 3.98Å; T502-S504 PolarHBondContact O-N 2.89Å; T502-R505 WeakPolarHBondContact O-CA 3.24Å; T502-R505 PolarHBondContact O-N 2.81Å; T502-L506 PolarHBondContact N-O 3.34Å; T502-L506 VanDerWaalsContact N-O 3.07Å; T502-L506 PolarHBondContact OG1-O 2.81Å |
| 503 | S | 93 | Very high | 93.6 | Very high | 48 Ų | 48 | 29.6 Ų | 29.6 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.3 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | S487 R505 | S487-S503 PolarHBondContact N-OG 2.8Å; S487-S503 PolarHBondContact O-N 2.85Å; S503-R505 PolarHBondContact O-N 2.93Å; S503-R505 VanDerWaalsContact O-N 3.09Å |
| 504 | S | 92.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 30.6 Ų | 30.6 | 41% | 0.413 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 7.4 | 173.2 | -58.6 | 0 | 0 | 0 | 0 | 114 | E486 T502 L506 | E486-S504 WeakPolarHBondContact CG-OG 3.35Å; T502-S504 PolarHBondContact O-N 2.89Å; S504-L506 VanDerWaalsContact C-N 3.29Å; S504-L506 PolarHBondContact O-N 3.48Å |
| 505 | R | 91.3 | Very high | 93.2 | Very high | 110 Ų | 110 | 34.7 Ų | 34.7 | 42% | 0.415 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 56.5 | 38.2 | -173.8 | -51.9 | -173.2 | -172.6 | 178.6 | 6 | 113.1 | T502 S503 T521 I522 E523 | T502-R505 WeakPolarHBondContact O-CA 3.24Å; T502-R505 PolarHBondContact O-N 2.81Å; S503-R505 PolarHBondContact O-N 2.93Å; S503-R505 VanDerWaalsContact O-N 3.09Å; R505-T521 CarbonylContact O-C 3.6Å; R505-T521 WeakPolarHBondContact O-CA 3.46Å; R505-I522 HydrophobicContact CB-CB 4.31Å; R505-I522 WeakPolarHBondContact CB-O 3.11Å; R505-I522 WeakPolarHBondContact CD-O 3.4Å; R505-I522 PolarHBondContact O-N 3.15Å; R505-E523 PolarHBondContact NH1-O 3.39Å |
| 506 | L | 93.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.9 | 175.7 | -61.5 | 172.9 | 0 | 0 | 0 | 109.5 | A501 T502 S504 R508 I519 | A501-L506 VanDerWaalsContact CA-O 3.29Å; A501-L506 WeakPolarHBondContact CA-O 3.08Å; T502-L506 PolarHBondContact N-O 3.34Å; T502-L506 VanDerWaalsContact N-O 3.07Å; T502-L506 PolarHBondContact OG1-O 2.81Å; S504-L506 VanDerWaalsContact C-N 3.29Å; S504-L506 PolarHBondContact O-N 3.48Å; L506-R508 HydrophobicContact CB-CG 4.42Å; L506-I519 HydrophobicContact CD1-CD1 4.3Å; L506-I519 HydrophobicContact CD2-CD1 4.38Å |
| 507 | L | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.1 | 162.2 | 173.4 | 63.6 | 0 | 0 | 0 | 107.6 | A499 V509 I519 S520 I522 M529 L536 Y557 | A499-L507 HydrophobicContact CB-CD1 4.29Å; L507-V509 HydrophobicContact CG-CG2 4.31Å; L507-I519 VanDerWaalsContact O-CA 3.27Å; L507-I519 WeakPolarHBondContact O-CA 3.37Å; L507-S520 PolarHBondContact N-O 2.86Å; L507-S520 PolarHBondContact O-N 3.01Å; L507-I522 HydrophobicContact CB-CD1 4.1Å; L507-I522 HydrophobicContact CB-CG1 4.02Å; L507-M529 HydrophobicContact CD1-CE 3.48Å; L507-M529 VanDerWaalsContact CD1-CE 3.48Å; L507-L536 HydrophobicContact CD1-CD2 4Å; L507-L536 HydrophobicContact CD2-CD2 3.82Å; L507-Y557 HydrophobicContact CD2-CD2 4.16Å; L507-Y557 HydrophobicContact CD2-CE1 4.17Å; L507-Y557 HydrophobicContact CD2-CE2 3.79Å |
| 508 | R | 94.6 | Very high | 92.7 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.2 | 179.4 | -65 | 169 | 177 | -88.5 | 7.2 | 109.3 | E486 A499 F500 L506 Y510 F516 I519 | E486-R508 IonicContact OE1-CZ 3.68Å; E486-R508 IonicContact OE1-NE 3.17Å; E486-R508 PolarHBondContact OE1-NE 2.85Å; E486-R508 IonicContact OE1-NH2 3.93Å; E486-R508 PolarHBondContact OE1-NH2 3.07Å; E486-R508 IonicContact OE2-CZ 2.81Å; E486-R508 IonicContact OE2-NE 3.29Å; E486-R508 IonicContact OE2-NH2 3.18Å; E486-R508 PolarHBondContact OE2-NH2 2.81Å; A499-R508 VanDerWaalsContact CA-O 3.3Å; A499-R508 WeakPolarHBondContact CA-O 3.36Å; F500-R508 HydrophobicContact CD1-CB 4.41Å; F500-R508 HydrophobicContact CD2-CB 4.33Å; F500-R508 HydrophobicContact CE1-CB 4.05Å; F500-R508 HydrophobicContact CE2-CB 3.99Å; F500-R508 VanDerWaalsContact CE2-CD 3.44Å; F500-R508 HydrophobicContact CE2-CG 4.31Å; F500-R508 HydrophobicContact CZ-CB 3.84Å; F500-R508 HydrophobicContact CZ-CG 4.44Å; F500-R508 PolarHBondContact N-O 2.85Å; F500-R508 PolarHBondContact O-N 3.09Å; L506-R508 HydrophobicContact CB-CG 4.42Å; R508-Y510 HydrophobicContact CB-CE2 4.13Å; R508-F516 HydrophobicContact CB-CE2 4.25Å; R508-I519 HydrophobicContact CG-CD1 4.16Å; R508-I519 HydrophobicContact CG-CG1 4.29Å |
| 509 | V | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.2 | -176.8 | -165 | 0 | 0 | 0 | 0 | 110.8 | W497 V498 A499 L507 F516 M517 W518 F559 | W497-V509 HydrophobicContact CB-CG1 4.48Å; W497-V509 HydrophobicContact CD2-CG1 4.46Å; W497-V509 HydrophobicContact CE3-CG1 3.93Å; V498-V509 WeakPolarHBondContact O-CA 3.35Å; V498-V509 WeakPolarHBondContact O-CG1 3.15Å; A499-V509 HydrophobicContact CB-CB 4.45Å; A499-V509 HydrophobicContact CB-CG1 4.17Å; A499-V509 HydrophobicContact CB-CG2 3.97Å; L507-V509 HydrophobicContact CG-CG2 4.31Å; V509-F516 WeakPolarHBondContact O-CD2 3.39Å; V509-M517 HydrophobicContact CG1-CE 3.62Å; V509-M517 PolarHBondContact O-N 3.09Å; V509-W518 HydrophobicContact CB-CB 4Å; V509-W518 HydrophobicContact CG2-CB 4.05Å; V509-W518 PolarHBondContact N-O 3.43Å; V509-W518 PolarHBondContact O-N 3.31Å; V509-F559 HydrophobicContact CG1-CE1 4.48Å; V509-F559 HydrophobicContact CG1-CZ 4.46Å; V509-F559 HydrophobicContact CG2-CE1 4.15Å; V509-F559 HydrophobicContact CG2-CE2 4.29Å; V509-F559 HydrophobicContact CG2-CZ 3.76Å |
| 510 | Y | 94.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 157 | 179.7 | -64.2 | -107.6 | 0 | 0 | 0 | 110.2 | I480 W497 V498 F500 R508 V515 F516 | I480-Y510 HydrophobicContact CD1-CD1 4.2Å; I480-Y510 HydrophobicContact CD1-CD2 3.81Å; I480-Y510 HydrophobicContact CD1-CE1 4.14Å; I480-Y510 HydrophobicContact CD1-CE2 3.77Å; I480-Y510 HydrophobicContact CD1-CG 4.05Å; W497-Y510 CarbonylContact C-O 3.59Å; W497-Y510 VanDerWaalsContact CA-O 3.23Å; W497-Y510 WeakPolarHBondContact CA-O 3.28Å; W497-Y510 VanDerWaalsContact CB-O 3.24Å; W497-Y510 WeakPolarHBondContact CB-O 3.45Å; V498-Y510 PolarHBondContact N-O 2.82Å; V498-Y510 PolarHBondContact O-N 2.82Å; F500-Y510 AromaticContact CE1-CD2 3.81Å; F500-Y510 HydrophobicContact CE1-CD2 3.81Å; F500-Y510 AromaticContact CE1-CE2 3.58Å; F500-Y510 HydrophobicContact CE1-CE2 3.58Å; F500-Y510 AromaticContact CZ-CE2 3.86Å; F500-Y510 HydrophobicContact CZ-CE2 3.86Å; R508-Y510 HydrophobicContact CB-CE2 4.13Å; Y510-V515 CarbonylContact C-O 3.6Å; Y510-V515 WeakPolarHBondContact CA-O 3.47Å; Y510-F516 HydrophobicContact CD1-CB 3.81Å; Y510-F516 AromaticContact CD1-CD2 3.91Å; Y510-F516 HydrophobicContact CD1-CD2 3.91Å; Y510-F516 HydrophobicContact CD1-CG 4.31Å; Y510-F516 AromaticContact CD2-CD2 3.93Å; Y510-F516 HydrophobicContact CD2-CD2 3.93Å; Y510-F516 HydrophobicContact CD2-CE2 4.43Å; Y510-F516 HydrophobicContact CE1-CB 3.61Å; Y510-F516 AromaticContact CE1-CD2 3.5Å; Y510-F516 HydrophobicContact CE1-CD2 3.5Å; Y510-F516 HydrophobicContact CE1-CE2 4.38Å; Y510-F516 AromaticContact CE1-CG 3.85Å; Y510-F516 HydrophobicContact CE1-CG 3.85Å; Y510-F516 AromaticContact CE2-CD2 3.5Å; Y510-F516 HydrophobicContact CE2-CD2 3.5Å; Y510-F516 AromaticContact CE2-CE2 3.74Å; Y510-F516 HydrophobicContact CE2-CE2 3.74Å; Y510-F516 HydrophobicContact CG-CD2 4.1Å; Y510-F516 AromaticContact CZ-CD2 3.27Å; Y510-F516 AromaticContact CZ-CE2 3.71Å; Y510-F516 AromaticContact CZ-CG 3.99Å |
| 511 | T | 92.4 | Very high | 91.9 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 15% | 0.153 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 161.4 | 162.8 | 64 | 0 | 0 | 0 | 0 | 110.4 | W478 G496 S513 G514 V515 M517 | W478-T511 WeakPolarHBondContact CZ2-O 3.44Å; G496-T511 CarbonylContact O-C 3.54Å; G496-T511 WeakPolarHBondContact O-CA 3.41Å; T511-S513 PolarHBondContact O-N 3.25Å; T511-S513 VanDerWaalsContact O-N 3.1Å; T511-S513 PolarHBondContact OG1-N 2.75Å; T511-S513 PolarHBondContact OG1-OG 3.47Å; T511-G514 PolarHBondContact O-N 3.03Å; T511-G514 PolarHBondContact OG1-N 3.04Å; T511-V515 HydrophobicContact CG2-CB 3.95Å; T511-V515 PolarHBondContact N-O 3.19Å; T511-V515 WeakPolarHBondContact OG1-CB 3.37Å; T511-V515 PolarHBondContact OG1-N 3.21Å; T511-M517 HydrophobicContact CG2-CG 3.84Å; T511-M517 HydrophobicContact CG2-SD 3.57Å; T511-M517 VanDerWaalsContact CG2-SD 3.57Å |
| 512 | L | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -12 | 170.6 | -62.4 | 178.1 | 0 | 0 | 0 | 113.5 | E448 A449 H468 W478 L493 G496 V498 | E448-L512 HydrophobicContact CB-CD1 3.71Å; A449-L512 HydrophobicContact CB-CD1 4.02Å; A449-L512 HydrophobicContact CB-CD2 3.82Å; A449-L512 HydrophobicContact CB-CG 4.45Å; H468-L512 PolarHBondContact ND1-O 2.7Å; W478-L512 PolarHBondContact NE1-O 2.75Å; L493-L512 HydrophobicContact CD2-CD2 3.69Å; G496-L512 PolarHBondContact O-N 2.86Å; V498-L512 HydrophobicContact CB-CD2 4.33Å |
| 513 | S | 90.6 | Very high | 90.9 | Very high | 88 Ų | 88 | 52.3 Ų | 52.3 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 1.5 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | T511 | T511-S513 PolarHBondContact O-N 3.25Å; T511-S513 VanDerWaalsContact O-N 3.1Å; T511-S513 PolarHBondContact OG1-N 2.75Å; T511-S513 PolarHBondContact OG1-OG 3.47Å |
| 514 | G | 90.7 | Very high | 90.5 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 93.6 | 6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.9 | W478 T511 F516 | W478-G514 VanDerWaalsContact CH2-CA 3.41Å; T511-G514 PolarHBondContact O-N 3.03Å; T511-G514 PolarHBondContact OG1-N 3.04Å; G514-F516 PolarHBondContact O-N 3.12Å |
| 515 | V | 90.5 | Very high | 90.3 | Very high | 88 Ų | 88 | 52 Ų | 52 | 53% | 0.533 | 28% | 0.278 | S | S | . | . | trans | -76.9 | 120.2 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | Y510 T511 M517 | Y510-V515 CarbonylContact C-O 3.6Å; Y510-V515 WeakPolarHBondContact CA-O 3.47Å; T511-V515 HydrophobicContact CG2-CB 3.95Å; T511-V515 PolarHBondContact N-O 3.19Å; T511-V515 WeakPolarHBondContact OG1-CB 3.37Å; T511-V515 PolarHBondContact OG1-N 3.21Å; V515-M517 PolarHBondContact O-N 2.86Å | ||
| 516 | F | 91.2 | Very high | 90.4 | Very high | 95 Ų | 95 | 47 Ų | 47 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 117.1 | 175 | -172.4 | -137.8 | 0 | 0 | 0 | 110.5 | R508 V509 Y510 G514 W518 I519 | R508-F516 HydrophobicContact CB-CE2 4.25Å; V509-F516 WeakPolarHBondContact O-CD2 3.39Å; Y510-F516 HydrophobicContact CD1-CB 3.81Å; Y510-F516 AromaticContact CD1-CD2 3.91Å; Y510-F516 HydrophobicContact CD1-CD2 3.91Å; Y510-F516 HydrophobicContact CD1-CG 4.31Å; Y510-F516 AromaticContact CD2-CD2 3.93Å; Y510-F516 HydrophobicContact CD2-CD2 3.93Å; Y510-F516 HydrophobicContact CD2-CE2 4.43Å; Y510-F516 HydrophobicContact CE1-CB 3.61Å; Y510-F516 AromaticContact CE1-CD2 3.5Å; Y510-F516 HydrophobicContact CE1-CD2 3.5Å; Y510-F516 HydrophobicContact CE1-CE2 4.38Å; Y510-F516 AromaticContact CE1-CG 3.85Å; Y510-F516 HydrophobicContact CE1-CG 3.85Å; Y510-F516 AromaticContact CE2-CD2 3.5Å; Y510-F516 HydrophobicContact CE2-CD2 3.5Å; Y510-F516 AromaticContact CE2-CE2 3.74Å; Y510-F516 HydrophobicContact CE2-CE2 3.74Å; Y510-F516 HydrophobicContact CG-CD2 4.1Å; Y510-F516 AromaticContact CZ-CD2 3.27Å; Y510-F516 AromaticContact CZ-CE2 3.71Å; Y510-F516 AromaticContact CZ-CG 3.99Å; G514-F516 PolarHBondContact O-N 3.12Å; F516-W518 WeakPolarHBondContact CE2-O 3.42Å; F516-I519 HydrophobicContact CE1-CB 4.48Å; F516-I519 HydrophobicContact CE1-CG2 4.36Å; F516-I519 HydrophobicContact CE2-CB 4.38Å; F516-I519 HydrophobicContact CZ-CB 3.72Å; F516-I519 HydrophobicContact CZ-CD1 4.2Å; F516-I519 HydrophobicContact CZ-CG1 4.46Å; F516-I519 HydrophobicContact CZ-CG2 4.07Å |
| 517 | M | 86.6 | Confident | 90.4 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -39.4 | -173.7 | -60.4 | -162.6 | -58.3 | 0 | 0 | 113.3 | W497 V509 T511 V515 Y566 | W497-M517 HydrophobicContact CB-CE 3.45Å; W497-M517 VanDerWaalsContact CB-CE 3.45Å; W497-M517 HydrophobicContact CG-CE 4.02Å; V509-M517 HydrophobicContact CG1-CE 3.62Å; V509-M517 PolarHBondContact O-N 3.09Å; T511-M517 HydrophobicContact CG2-CG 3.84Å; T511-M517 HydrophobicContact CG2-SD 3.57Å; T511-M517 VanDerWaalsContact CG2-SD 3.57Å; V515-M517 PolarHBondContact O-N 2.86Å; M517-Y566 HydrophobicContact SD-CD1 4.13Å; M517-Y566 HydrophobicContact SD-CE1 4Å |
| 518 | W | 88.3 | Confident | 90.5 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 147 | -168.5 | -173.6 | -99.6 | 0 | 0 | 0 | 113.1 | V509 F516 S520 F559 F565 Y566 G567 | V509-W518 HydrophobicContact CB-CB 4Å; V509-W518 HydrophobicContact CG2-CB 4.05Å; V509-W518 PolarHBondContact N-O 3.43Å; V509-W518 PolarHBondContact O-N 3.31Å; F516-W518 WeakPolarHBondContact CE2-O 3.42Å; W518-S520 PolarHBondContact NE1-OG 2.97Å; W518-S520 VanDerWaalsContact NE1-OG 3.1Å; W518-F559 HydrophobicContact CB-CE1 4.07Å; W518-F559 HydrophobicContact CG-CE1 4.06Å; W518-F565 HydrophobicContact CH2-CE1 4.07Å; W518-F565 HydrophobicContact CZ3-CE1 4.29Å; W518-Y566 WeakPolarHBondContact CZ3-O 3.21Å; W518-G567 VanDerWaalsContact CH2-O 3.31Å; W518-G567 WeakPolarHBondContact CH2-O 2.85Å; W518-G567 WeakPolarHBondContact CZ2-O 3.31Å |
| 519 | I | 91.4 | Very high | 90.5 | Very high | 77 Ų | 77 | 43.9 Ų | 43.9 | 40% | 0.395 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 138.3 | 166.5 | -172.5 | 167.9 | 0 | 0 | 0 | 110.8 | L506 L507 R508 F516 | L506-I519 HydrophobicContact CD1-CD1 4.3Å; L506-I519 HydrophobicContact CD2-CD1 4.38Å; L507-I519 VanDerWaalsContact O-CA 3.27Å; L507-I519 WeakPolarHBondContact O-CA 3.37Å; R508-I519 HydrophobicContact CG-CD1 4.16Å; R508-I519 HydrophobicContact CG-CG1 4.29Å; F516-I519 HydrophobicContact CE1-CB 4.48Å; F516-I519 HydrophobicContact CE1-CG2 4.36Å; F516-I519 HydrophobicContact CE2-CB 4.38Å; F516-I519 HydrophobicContact CZ-CB 3.72Å; F516-I519 HydrophobicContact CZ-CD1 4.2Å; F516-I519 HydrophobicContact CZ-CG1 4.46Å; F516-I519 HydrophobicContact CZ-CG2 4.07Å |
| 520 | S | 88 | Confident | 90.6 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 144.5 | 173.9 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | L507 W518 | L507-S520 PolarHBondContact N-O 2.86Å; L507-S520 PolarHBondContact O-N 3.01Å; W518-S520 PolarHBondContact NE1-OG 2.97Å; W518-S520 VanDerWaalsContact NE1-OG 3.1Å |
| 521 | T | 90.6 | Very high | 90.6 | Very high | 108 Ų | 108 | 43.7 Ų | 43.7 | 66% | 0.663 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 136.1 | 172.2 | -49.3 | 0 | 0 | 0 | 0 | 110.6 | R505 | R505-T521 CarbonylContact O-C 3.6Å; R505-T521 WeakPolarHBondContact O-CA 3.46Å |
| 522 | I | 88.6 | Confident | 90.6 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | trans | -92.9 | 129 | 173.5 | -49.2 | 173.3 | 0 | 0 | 0 | 107.4 | A501 R505 L507 N524 L538 C540 | A501-I522 HydrophobicContact CB-CD1 3.66Å; R505-I522 HydrophobicContact CB-CB 4.31Å; R505-I522 WeakPolarHBondContact CB-O 3.11Å; R505-I522 WeakPolarHBondContact CD-O 3.4Å; R505-I522 PolarHBondContact O-N 3.15Å; L507-I522 HydrophobicContact CB-CD1 4.1Å; L507-I522 HydrophobicContact CB-CG1 4.02Å; I522-N524 VanDerWaalsContact CG2-O 3.23Å; I522-N524 WeakPolarHBondContact CG2-O 3.4Å; I522-N524 PolarHBondContact O-N 3.04Å; I522-L538 HydrophobicContact CD1-CD1 4.42Å; I522-L538 HydrophobicContact CD1-CD2 4.17Å; I522-L538 HydrophobicContact CG1-CD2 4.18Å; I522-L538 HydrophobicContact CG2-CD2 4.12Å; I522-C540 WeakPolarHBondContact CG2-SG 3.41Å | ||
| 523 | E | 82.3 | Confident | 90.4 | Very high | 140 Ų | 140 | 46.9 Ų | 46.9 | 65% | 0.654 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -61.2 | -44.7 | -174.1 | -61.5 | -176.7 | 162.3 | 0 | 0 | 112.1 | R505 | R505-E523 PolarHBondContact NH1-O 3.39Š|
| 524 | N | 84 | Confident | 90.2 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -123.3 | 165.4 | -176 | -66.2 | -39.4 | 0 | 0 | 0 | 111.7 | I522 V526 C540 H541 | I522-N524 VanDerWaalsContact CG2-O 3.23Å; I522-N524 WeakPolarHBondContact CG2-O 3.4Å; I522-N524 PolarHBondContact O-N 3.04Å; N524-V526 PolarHBondContact O-N 3.5Å; N524-C540 HydrophobicContact CB-CB 4.2Å; N524-H541 WeakPolarHBondContact CB-O 3.41Å; N524-H541 VanDerWaalsContact CG-O 3.24Å; N524-H541 PolarHBondContact ND2-O 3.48Å |
| 525 | S | 88.3 | Confident | 90.1 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | trans | -59.5 | 135.1 | 178.1 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | C540 H541 | S525-C540 WeakPolarHBondContact O-CA 3.39Å; S525-H541 PolarHBondContact O-CD2 3.31Å; S525-H541 PolarHBondContact O-N 2.97Å; S525-H541 VanDerWaalsContact O-N 3.09Å | ||
| 526 | V | 92.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 146.2 | -179.8 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | Q489 C490 A501 N524 M529 L538 | Q489-V526 HydrophobicContact CB-CG1 3.9Å; C490-V526 HydrophobicContact CB-CG2 4.34Å; A501-V526 HydrophobicContact CB-CB 4.36Å; A501-V526 HydrophobicContact CB-CG1 4.03Å; A501-V526 HydrophobicContact CB-CG2 4.3Å; N524-V526 PolarHBondContact O-N 3.5Å; V526-M529 HydrophobicContact CG2-CG 4.16Å; V526-M529 HydrophobicContact CG2-SD 4.43Å; V526-L538 HydrophobicContact CB-CD1 4.37Å; V526-L538 HydrophobicContact CG2-CD1 3.53Å |
| 527 | V | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -46.3 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 111 | P381 P383 F384 V539 H541 L552 L586 | P381-V527 HydrophobicContact CB-CG1 4.41Å; P383-V527 CarbonylContact C-O 3.5Å; P383-V527 VanDerWaalsContact CA-O 3.24Å; P383-V527 WeakPolarHBondContact CA-O 3.3Å; F384-V527 HydrophobicContact CD1-CG1 4.23Å; F384-V527 WeakPolarHBondContact CD1-O 3.5Å; F384-V527 HydrophobicContact CE1-CG1 3.88Å; F384-V527 PolarHBondContact N-O 2.94Å; V527-V539 HydrophobicContact CB-CG1 4.45Å; V527-V539 PolarHBondContact N-O 3.41Å; V527-H541 VanDerWaalsContact CG2-CE1 3.41Å; V527-H541 WeakPolarHBondContact CG2-CE1 3.42Å; V527-H541 VanDerWaalsContact CG2-NE2 3.31Å; V527-H541 WeakPolarHBondContact CG2-NE2 3.34Å; V527-L552 HydrophobicContact CG2-CD2 3.86Å; V527-L586 HydrophobicContact CG1-CD2 4.29Å |
| 528 | A | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 159.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | F384 P386 V539 L589 | F384-A528 HydrophobicContact CD1-CB 4.23Å; F384-A528 HydrophobicContact CE1-CB 3.87Å; F384-A528 HydrophobicContact CE2-CB 4.23Å; F384-A528 HydrophobicContact CZ-CB 3.86Å; P386-A528 HydrophobicContact CG-CB 4.05Å; A528-V539 PolarHBondContact N-O 3.47Å; A528-V539 PolarHBondContact O-N 2.96Å; A528-L589 HydrophobicContact CB-CD2 3.48Å; A528-L589 VanDerWaalsContact CB-CD2 3.48Å; A528-L589 HydrophobicContact CB-CG 4.18Å |
| 529 | M | 95.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.7 | 176.9 | -70.2 | 170.3 | 66.6 | 0 | 0 | 111.3 | P386 C490 A499 A501 L507 V526 L536 F537 L538 | P386-M529 VanDerWaalsContact CD-O 3.31Å; P386-M529 WeakPolarHBondContact CD-O 3.33Å; P386-M529 WeakPolarHBondContact CG-O 3.4Å; C490-M529 HydrophobicContact CB-CB 4.11Å; C490-M529 HydrophobicContact CB-CG 3.86Å; C490-M529 HydrophobicContact CB-SD 3.51Å; C490-M529 VanDerWaalsContact CB-SD 3.51Å; A499-M529 HydrophobicContact CB-CE 4.23Å; A501-M529 HydrophobicContact CB-CE 4.47Å; A501-M529 HydrophobicContact CB-SD 3.39Å; A501-M529 WeakPolarHBondContact CB-SD 3.48Å; L507-M529 HydrophobicContact CD1-CE 3.48Å; L507-M529 VanDerWaalsContact CD1-CE 3.48Å; V526-M529 HydrophobicContact CG2-CG 4.16Å; V526-M529 HydrophobicContact CG2-SD 4.43Å; M529-L536 HydrophobicContact CE-CD1 3.89Å; M529-L536 HydrophobicContact CE-CD2 4.26Å; M529-F537 WeakPolarHBondContact CA-O 3.43Å; M529-L538 HydrophobicContact CG-CD1 3.43Å; M529-L538 VanDerWaalsContact CG-CD1 3.43Å; M529-L538 HydrophobicContact SD-CD1 3.88Å |
| 530 | S | 95.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 145.7 | 167.2 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | F537 | S530-F537 PolarHBondContact N-O 3.08Å; S530-F537 PolarHBondContact O-N 3.46Å |
| 531 | A | 94.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 11% | 0.107 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C492 L493 W497 R535 L536 | C492-A531 HydrophobicContact CB-CB 4.09Å; L493-A531 WeakPolarHBondContact O-CB 3.45Å; W497-A531 HydrophobicContact CH2-CB 3.36Å; W497-A531 HydrophobicContact CZ2-CB 4.14Å; W497-A531 HydrophobicContact CZ3-CB 3.87Å; A531-R535 CarbonylContact C-O 3.26Å; A531-R535 VanDerWaalsContact CA-O 3.23Å; A531-R535 WeakPolarHBondContact CA-O 3.15Å; A531-L536 HydrophobicContact CB-CD1 4.21Å |
| 532 | R | 91.8 | Very high | 90.4 | Very high | 61 Ų | 61 | 24.7 Ų | 24.7 | 23% | 0.23 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 133.1 | 169 | -166.8 | 166.1 | 174.1 | 176.7 | -6.8 | 110.3 | S534 R535 V591 T592 E593 D635 | R532-S534 PolarHBondContact O-N 2.99Å; R532-R535 PolarHBondContact N-O 3.11Å; R532-R535 PolarHBondContact O-N 3.47Å; R532-V591 HydrophobicContact CB-CB 3.7Å; R532-V591 HydrophobicContact CB-CG1 3.87Å; R532-V591 WeakPolarHBondContact CD-O 3.09Å; R532-V591 PolarHBondContact NH1-O 3.21Å; R532-T592 WeakPolarHBondContact CD-O 3.2Å; R532-E593 IonicContact CZ-OE2 2.66Å; R532-E593 IonicContact NH2-OE2 2.68Å; R532-E593 PolarHBondContact NH2-OE2 3.47Å; R532-D635 IonicContact NH1-OD1 2.77Å; R532-D635 PolarHBondContact NH1-OD1 3.24Å; R532-D635 IonicContact NH1-OD2 3.52Å |
| 533 | G | 88.2 | Confident | 89.9 | Confident | 33 Ų | 33 | 26.5 Ų | 26.5 | 34% | 0.34 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -127.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K495 W497 | K495-G533 PolarHBondContact N-O 3.47Å; W497-G533 PolarHBondContact NE1-O 3.39Å |
| 534 | S | 87 | Confident | 89.4 | Confident | 44 Ų | 44 | 26.1 Ų | 26.1 | 31% | 0.308 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -5.7 | 175.3 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | R532 T558 F559 | R532-S534 PolarHBondContact O-N 2.99Å; S534-T558 CarbonylContact O-C 3.56Å; S534-T558 VanDerWaalsContact O-CA 3.26Å; S534-T558 WeakPolarHBondContact O-CA 3.23Å; S534-F559 WeakPolarHBondContact CA-O 3.49Å; S534-F559 WeakPolarHBondContact CB-O 3.34Å; S534-F559 PolarHBondContact O-N 3.36Å |
| 535 | R | 88.1 | Confident | 88.6 | Confident | 69 Ų | 69 | 24.6 Ų | 24.6 | 26% | 0.26 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.4 | -171.9 | -71 | -172.9 | 178.3 | -170 | 0.5 | 113.6 | A531 R532 Y557 V591 G595 F597 | A531-R535 CarbonylContact C-O 3.26Å; A531-R535 VanDerWaalsContact CA-O 3.23Å; A531-R535 WeakPolarHBondContact CA-O 3.15Å; R532-R535 PolarHBondContact N-O 3.11Å; R532-R535 PolarHBondContact O-N 3.47Å; R535-Y557 WeakPolarHBondContact CA-O 3.33Å; R535-V591 HydrophobicContact CB-CG1 4.27Å; R535-G595 WeakPolarHBondContact CD-O 3.16Å; R535-G595 PolarHBondContact NH1-O 3.34Å; R535-F597 HydrophobicContact CB-CE1 4.42Å |
| 536 | L | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.3 | 171 | 176.8 | 62.9 | 0 | 0 | 0 | 110 | C492 W497 A499 L507 M529 A531 Y557 F559 | C492-L536 WeakPolarHBondContact SG-CD1 3.41Å; W497-L536 HydrophobicContact CH2-CB 3.86Å; W497-L536 HydrophobicContact CH2-CD1 4.43Å; A499-L536 HydrophobicContact CB-CD2 4.46Å; L507-L536 HydrophobicContact CD1-CD2 4Å; L507-L536 HydrophobicContact CD2-CD2 3.82Å; M529-L536 HydrophobicContact CE-CD1 3.89Å; M529-L536 HydrophobicContact CE-CD2 4.26Å; A531-L536 HydrophobicContact CB-CD1 4.21Å; L536-Y557 HydrophobicContact CB-CD2 4.46Å; L536-Y557 HydrophobicContact CD2-CD2 3.82Å; L536-Y557 HydrophobicContact CD2-CE2 4.5Å; L536-Y557 HydrophobicContact CD2-CG 4.34Å; L536-Y557 HydrophobicContact CG-CD2 4.23Å; L536-Y557 PolarHBondContact N-O 3.27Å; L536-Y557 PolarHBondContact O-N 2.94Å; L536-F559 HydrophobicContact CB-CE2 4.02Å; L536-F559 HydrophobicContact CD2-CE2 3.93Å |
| 537 | F | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.4 | 171.7 | -175.9 | -149 | 0 | 0 | 0 | 109 | M529 S530 V539 Y554 L589 V591 F597 T599 W614 | M529-F537 WeakPolarHBondContact CA-O 3.43Å; S530-F537 PolarHBondContact N-O 3.08Å; S530-F537 PolarHBondContact O-N 3.46Å; F537-V539 HydrophobicContact CD2-CG2 4.42Å; F537-V539 HydrophobicContact CE1-CG2 4.25Å; F537-V539 HydrophobicContact CE2-CG2 3.84Å; F537-V539 HydrophobicContact CZ-CG2 3.7Å; F537-Y554 HydrophobicContact CD2-CD2 4.34Å; F537-Y554 AromaticContact CE2-CD2 3.92Å; F537-Y554 HydrophobicContact CE2-CD2 3.92Å; F537-Y554 AromaticContact CE2-CG 3.75Å; F537-Y554 HydrophobicContact CE2-CG 3.75Å; F537-L589 HydrophobicContact CD1-CB 4.27Å; F537-L589 HydrophobicContact CD1-CD1 3.74Å; F537-L589 HydrophobicContact CD1-CG 4.42Å; F537-L589 HydrophobicContact CE1-CB 3.88Å; F537-L589 HydrophobicContact CE1-CD1 4.17Å; F537-L589 HydrophobicContact CE1-CD2 4.34Å; F537-L589 HydrophobicContact CE1-CG 4.37Å; F537-V591 HydrophobicContact CB-CG2 3.79Å; F537-F597 HydrophobicContact CB-CD1 3.67Å; F537-F597 HydrophobicContact CB-CE1 3.84Å; F537-F597 HydrophobicContact CB-CG 4.23Å; F537-F597 HydrophobicContact CD1-CB 3.92Å; F537-F597 HydrophobicContact CD1-CD1 4.22Å; F537-F597 HydrophobicContact CD1-CG 4.19Å; F537-F597 HydrophobicContact CD2-CB 4.06Å; F537-F597 HydrophobicContact CD2-CD1 4.09Å; F537-F597 AromaticContact CD2-CD2 3.92Å; F537-F597 HydrophobicContact CD2-CD2 3.92Å; F537-F597 HydrophobicContact CD2-CE2 4.43Å; F537-F597 AromaticContact CD2-CG 3.75Å; F537-F597 HydrophobicContact CD2-CG 3.75Å; F537-F597 HydrophobicContact CE1-CB 3.89Å; F537-F597 HydrophobicContact CE2-CB 4Å; F537-F597 HydrophobicContact CE2-CD2 4.22Å; F537-F597 HydrophobicContact CE2-CG 4.12Å; F537-F597 HydrophobicContact CG-CB 4.05Å; F537-F597 AromaticContact CG-CD1 3.76Å; F537-F597 HydrophobicContact CG-CD1 3.76Å; F537-F597 HydrophobicContact CG-CD2 4.42Å; F537-F597 HydrophobicContact CG-CE1 4.33Å; F537-F597 AromaticContact CG-CG 3.81Å; F537-F597 HydrophobicContact CG-CG 3.81Å; F537-F597 HydrophobicContact CZ-CB 3.97Å; F537-T599 HydrophobicContact CE1-CG2 3.9Å; F537-T599 HydrophobicContact CZ-CG2 3.93Å; F537-W614 HydrophobicContact CE1-CH2 4.38Å; F537-W614 HydrophobicContact CE2-CH2 4.32Å; F537-W614 AromaticContact CZ-CH2 3.65Å; F537-W614 HydrophobicContact CZ-CH2 3.65Å; F537-W614 HydrophobicContact CZ-CZ2 4.22Å |
| 538 | L | 92.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.5 | -179.3 | 171.3 | 66.5 | 0 | 0 | 0 | 108.8 | I522 V526 M529 Y554 S555 Y557 | I522-L538 HydrophobicContact CD1-CD1 4.42Å; I522-L538 HydrophobicContact CD1-CD2 4.17Å; I522-L538 HydrophobicContact CG1-CD2 4.18Å; I522-L538 HydrophobicContact CG2-CD2 4.12Å; V526-L538 HydrophobicContact CB-CD1 4.37Å; V526-L538 HydrophobicContact CG2-CD1 3.53Å; M529-L538 HydrophobicContact CG-CD1 3.43Å; M529-L538 VanDerWaalsContact CG-CD1 3.43Å; M529-L538 HydrophobicContact SD-CD1 3.88Å; L538-Y554 CarbonylContact O-C 3.53Å; L538-Y554 VanDerWaalsContact O-CA 3.24Å; L538-Y554 WeakPolarHBondContact O-CA 3.49Å; L538-Y554 WeakPolarHBondContact O-CB 3.19Å; L538-S555 PolarHBondContact N-O 2.84Å; L538-S555 PolarHBondContact O-N 2.9Å; L538-Y557 HydrophobicContact CB-CE2 4.29Å; L538-Y557 HydrophobicContact CD2-CE2 3.93Å |
| 539 | V | 93.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.4 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | V527 A528 F537 L552 C553 V578 L586 L589 | V527-V539 HydrophobicContact CB-CG1 4.45Å; V527-V539 PolarHBondContact N-O 3.41Å; A528-V539 PolarHBondContact N-O 3.47Å; A528-V539 PolarHBondContact O-N 2.96Å; F537-V539 HydrophobicContact CD2-CG2 4.42Å; F537-V539 HydrophobicContact CE1-CG2 4.25Å; F537-V539 HydrophobicContact CE2-CG2 3.84Å; F537-V539 HydrophobicContact CZ-CG2 3.7Å; V539-L552 HydrophobicContact CG1-CB 4.17Å; V539-L552 HydrophobicContact CG1-CD1 4.04Å; V539-C553 WeakPolarHBondContact CA-O 3.47Å; V539-V578 HydrophobicContact CG1-CG2 4.05Å; V539-V578 HydrophobicContact CG2-CG2 4.16Å; V539-L586 HydrophobicContact CB-CD2 4.32Å; V539-L586 HydrophobicContact CG1-CD2 3.8Å; V539-L589 HydrophobicContact CB-CD2 4.11Å; V539-L589 HydrophobicContact CG2-CD2 3.67Å |
| 540 | C | 91 | Very high | 83.3 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 163.6 | -176.1 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | I522 N524 S525 L552 C553 | I522-C540 WeakPolarHBondContact CG2-SG 3.41Å; N524-C540 HydrophobicContact CB-CB 4.2Å; S525-C540 WeakPolarHBondContact O-CA 3.39Å; C540-L552 CarbonylContact O-C 3.51Å; C540-L552 VanDerWaalsContact O-CA 3.31Å; C540-L552 WeakPolarHBondContact O-CA 3.28Å; C540-C553 PolarHBondContact N-O 2.95Å; C540-C553 PolarHBondContact O-N 2.88Å |
| 541 | H | 88.6 | Confident | 82.8 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 7% | 0.069 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 150.2 | 169 | -65.5 | -69.1 | 0 | 0 | 0 | 111.4 | P381 N524 S525 V527 | P381-H541 VanDerWaalsContact CD-CE1 3.5Å; P381-H541 WeakPolarHBondContact CD-CE1 3.4Å; P381-H541 PolarHBondContact O-CE1 3.27Å; P381-H541 VanDerWaalsContact O-CE1 3.31Å; P381-H541 PolarHBondContact O-NE2 3.09Å; N524-H541 WeakPolarHBondContact CB-O 3.41Å; N524-H541 VanDerWaalsContact CG-O 3.24Å; N524-H541 PolarHBondContact ND2-O 3.48Å; S525-H541 PolarHBondContact O-CD2 3.31Å; S525-H541 PolarHBondContact O-N 2.97Å; S525-H541 VanDerWaalsContact O-N 3.09Å; V527-H541 VanDerWaalsContact CG2-CE1 3.41Å; V527-H541 WeakPolarHBondContact CG2-CE1 3.42Å; V527-H541 VanDerWaalsContact CG2-NE2 3.31Å; V527-H541 WeakPolarHBondContact CG2-NE2 3.34Å |
| 542 | D | 84.3 | Confident | 82.6 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | trans | -129.7 | 61.4 | 176.7 | 179.1 | 39.6 | 0 | 0 | 0 | 110.3 | R551 C553 N575 | D542-R551 HydrophobicContact CB-CG 4.06Å; D542-R551 PolarHBondContact N-O 2.92Å; D542-R551 WeakPolarHBondContact O-CD 3.25Å; D542-R551 VanDerWaalsContact O-CG 3.26Å; D542-R551 WeakPolarHBondContact O-CG 3.46Å; D542-R551 PolarHBondContact O-NE 2.85Å; D542-R551 IonicContact OD1-NH2 2.63Å; D542-R551 IonicContact OD2-CZ 3.76Å; D542-R551 IonicContact OD2-NE 3.1Å; D542-R551 PolarHBondContact OD2-NE 3.41Å; D542-R551 IonicContact OD2-NH2 2.7Å; D542-R551 PolarHBondContact OD2-NH2 2.9Å; D542-C553 HydrophobicContact CB-CB 3.84Å; D542-N575 PolarHBondContact OD1-ND2 2.6Å | ||
| 543 | G | 76.5 | Confident | 82.5 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 47% | 0.474 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 84 | -169.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 544 | L | 71.7 | Confident | 82.6 | Confident | 132 Ų | 132 | 42 Ų | 42 | 69% | 0.691 | 23% | 0.234 | S | C | * | . | trans | -83.5 | 145.1 | 178.7 | -70.2 | 166.8 | 0 | 0 | 0 | 111.2 | ||||
| 545 | A | 68.7 | Low | 82.6 | Confident | 15 Ų | 15 | 42 Ų | 42 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | trans | -123.8 | 156.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S378 D549 R551 | S378-A545 PolarHBondContact OG-O 3.42Å; A545-D549 HydrophobicContact CB-CB 4.25Å; A545-D549 WeakPolarHBondContact CB-O 3.49Å; A545-R551 HydrophobicContact CB-CB 4.27Å | ||
| 546 | L | 66.3 | Low | 82.5 | Confident | 96 Ų | 96 | 39.7 Ų | 39.7 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -106.2 | 164.8 | -176.7 | -65.7 | 169.9 | 0 | 0 | 0 | 110.2 | G548 D549 | L546-G548 PolarHBondContact O-N 3.44Å; L546-D549 PolarHBondContact O-N 3.07Å; L546-D549 VanDerWaalsContact O-N 3.13Å |
| 547 | N | 64.7 | Low | 82.2 | Confident | 145 Ų | 145 | 40.7 Ų | 40.7 | 78% | 0.775 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 22.1 | 171.1 | -54.9 | -20.8 | 0 | 0 | 0 | 115.9 | ||
| 548 | G | 65.1 | Low | 81.8 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -4.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L546 | L546-G548 PolarHBondContact O-N 3.44Š|
| 549 | D | 75.2 | Confident | 81.3 | Confident | 69 Ų | 69 | 42 Ų | 42 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | trans | -65 | 161.1 | 172 | -75.7 | -38 | 0 | 0 | 0 | 111.4 | S378 A545 L546 G583 | S378-D549 WeakPolarHBondContact CB-O 3.45Å; S378-D549 PolarHBondContact OG-O 2.91Å; A545-D549 HydrophobicContact CB-CB 4.25Å; A545-D549 WeakPolarHBondContact CB-O 3.49Å; L546-D549 PolarHBondContact O-N 3.07Å; L546-D549 VanDerWaalsContact O-N 3.13Å; D549-G583 PolarHBondContact OD1-N 3.31Å | ||
| 550 | V | 81.3 | Confident | 80.3 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | trans | -122.9 | 134.1 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | P381 L552 L580 | P381-V550 HydrophobicContact CG-CG1 3.75Å; P381-V550 HydrophobicContact CG-CG2 3.94Å; V550-L552 HydrophobicContact CG1-CD1 4.41Å; V550-L552 HydrophobicContact CG1-CD2 3.65Å; V550-L552 HydrophobicContact CG1-CG 3.81Å; V550-L580 HydrophobicContact CB-CD1 4.48Å | ||
| 551 | R | 86.1 | Confident | 79 | Confident | 129 Ų | 129 | 53 Ų | 53 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | trans | -109 | 119.9 | 175.9 | -166.3 | 174.6 | 156.6 | -171.8 | -13.9 | 110.1 | D542 A545 | D542-R551 HydrophobicContact CB-CG 4.06Å; D542-R551 PolarHBondContact N-O 2.92Å; D542-R551 WeakPolarHBondContact O-CD 3.25Å; D542-R551 VanDerWaalsContact O-CG 3.26Å; D542-R551 WeakPolarHBondContact O-CG 3.46Å; D542-R551 PolarHBondContact O-NE 2.85Å; D542-R551 IonicContact OD1-NH2 2.63Å; D542-R551 IonicContact OD2-CZ 3.76Å; D542-R551 IonicContact OD2-NE 3.1Å; D542-R551 PolarHBondContact OD2-NE 3.41Å; D542-R551 IonicContact OD2-NH2 2.7Å; D542-R551 PolarHBondContact OD2-NH2 2.9Å; A545-R551 HydrophobicContact CB-CB 4.27Å | ||
| 552 | L | 90 | Very high | 77.8 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.4 | -174.5 | -60.8 | -176.6 | 0 | 0 | 0 | 111 | V527 V539 C540 V550 S577 V578 L580 L586 | V527-L552 HydrophobicContact CG2-CD2 3.86Å; V539-L552 HydrophobicContact CG1-CB 4.17Å; V539-L552 HydrophobicContact CG1-CD1 4.04Å; C540-L552 CarbonylContact O-C 3.51Å; C540-L552 VanDerWaalsContact O-CA 3.31Å; C540-L552 WeakPolarHBondContact O-CA 3.28Å; V550-L552 HydrophobicContact CG1-CD1 4.41Å; V550-L552 HydrophobicContact CG1-CD2 3.65Å; V550-L552 HydrophobicContact CG1-CG 3.81Å; L552-S577 WeakPolarHBondContact O-CA 3.49Å; L552-V578 HydrophobicContact CB-CB 4.03Å; L552-V578 HydrophobicContact CB-CG2 4.39Å; L552-V578 PolarHBondContact O-N 2.97Å; L552-L580 HydrophobicContact CD1-CD1 3.96Å; L552-L586 HydrophobicContact CD1-CB 3.78Å; L552-L586 HydrophobicContact CD1-CD2 3.84Å; L552-L586 HydrophobicContact CD1-CG 4.43Å |
| 553 | C | 90.2 | Very high | 76.4 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.081 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 164.9 | 168.2 | 63.6 | 0 | 0 | 0 | 0 | 111 | V539 C540 D542 N575 N576 | V539-C553 WeakPolarHBondContact CA-O 3.47Å; C540-C553 PolarHBondContact N-O 2.95Å; C540-C553 PolarHBondContact O-N 2.88Å; D542-C553 HydrophobicContact CB-CB 3.84Å; C553-N575 HydrophobicContact CB-CB 4.44Å; C553-N576 CarbonylContact C-O 3.52Å; C553-N576 VanDerWaalsContact CA-O 3.22Å; C553-N576 WeakPolarHBondContact CA-O 3.45Å |
| 554 | Y | 90.4 | Very high | 75.2 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.5 | 173.5 | 75 | -93.2 | 0 | 0 | 0 | 113.8 | F537 L538 N576 V578 F597 L609 W614 | F537-Y554 HydrophobicContact CD2-CD2 4.34Å; F537-Y554 AromaticContact CE2-CD2 3.92Å; F537-Y554 HydrophobicContact CE2-CD2 3.92Å; F537-Y554 AromaticContact CE2-CG 3.75Å; F537-Y554 HydrophobicContact CE2-CG 3.75Å; L538-Y554 CarbonylContact O-C 3.53Å; L538-Y554 VanDerWaalsContact O-CA 3.24Å; L538-Y554 WeakPolarHBondContact O-CA 3.49Å; L538-Y554 WeakPolarHBondContact O-CB 3.19Å; Y554-N576 HydrophobicContact CD1-CB 3.84Å; Y554-N576 WeakPolarHBondContact CD1-O 3.33Å; Y554-N576 HydrophobicContact CE1-CB 3.31Å; Y554-N576 HydrophobicContact CE2-CB 4.04Å; Y554-N576 HydrophobicContact CG-CB 4.4Å; Y554-N576 VanDerWaalsContact CZ-CB 3.4Å; Y554-N576 PolarHBondContact N-O 3.32Å; Y554-V578 HydrophobicContact CD1-CG2 3.87Å; Y554-V578 HydrophobicContact CG-CG2 4.36Å; Y554-F597 HydrophobicContact CE2-CD2 4.47Å; Y554-L609 HydrophobicContact CE1-CD2 4.47Å; Y554-L609 HydrophobicContact CE2-CD2 4.21Å; Y554-L609 WeakPolarHBondContact OH-CD2 3.36Å; Y554-W614 AromaticContact CD1-CZ2 3.92Å; Y554-W614 HydrophobicContact CD1-CZ2 3.92Å; Y554-W614 AromaticContact CE1-CZ2 3.89Å; Y554-W614 HydrophobicContact CE1-CZ2 3.89Å |
| 555 | S | 86.6 | Confident | 74.3 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.8 | 171 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | L538 | L538-S555 PolarHBondContact N-O 2.84Å; L538-S555 PolarHBondContact O-N 2.9Å |
| 556 | A | 86.1 | Confident | 73.7 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F597 | A556-F597 HydrophobicContact CB-CE2 3.53Å; A556-F597 HydrophobicContact CB-CZ 3.75Å |
| 557 | Y | 85.4 | Confident | 73.1 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.2 | 174.8 | -51.1 | -102.6 | 0 | 0 | 0 | 110 | L507 R535 L536 L538 F559 V568 | L507-Y557 HydrophobicContact CD2-CD2 4.16Å; L507-Y557 HydrophobicContact CD2-CE1 4.17Å; L507-Y557 HydrophobicContact CD2-CE2 3.79Å; R535-Y557 WeakPolarHBondContact CA-O 3.33Å; L536-Y557 HydrophobicContact CB-CD2 4.46Å; L536-Y557 HydrophobicContact CD2-CD2 3.82Å; L536-Y557 HydrophobicContact CD2-CE2 4.5Å; L536-Y557 HydrophobicContact CD2-CG 4.34Å; L536-Y557 HydrophobicContact CG-CD2 4.23Å; L536-Y557 PolarHBondContact N-O 3.27Å; L536-Y557 PolarHBondContact O-N 2.94Å; L538-Y557 HydrophobicContact CB-CE2 4.29Å; L538-Y557 HydrophobicContact CD2-CE2 3.93Å; Y557-F559 HydrophobicContact CD1-CZ 4.42Å; Y557-F559 HydrophobicContact CG-CE2 4.45Å; Y557-F559 HydrophobicContact CG-CZ 4.25Å; Y557-V568 HydrophobicContact CD1-CG2 3.92Å; Y557-V568 HydrophobicContact CE1-CG2 3.91Å |
| 558 | T | 84.3 | Confident | 72.6 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.1 | 167.1 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | S534 D560 G567 V569 | S534-T558 CarbonylContact O-C 3.56Å; S534-T558 VanDerWaalsContact O-CA 3.26Å; S534-T558 WeakPolarHBondContact O-CA 3.23Å; T558-D560 HydrophobicContact CG2-CB 4.41Å; T558-G567 PolarHBondContact O-N 3.42Å; T558-V569 WeakPolarHBondContact OG1-CG2 3.48Å |
| 559 | F | 81.9 | Confident | 72 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | trans | -124.5 | 96.1 | 175.2 | -56 | -75.8 | 0 | 0 | 0 | 107 | W497 V509 W518 S534 L536 Y557 G567 | W497-F559 HydrophobicContact CD2-CB 4.46Å; W497-F559 HydrophobicContact CD2-CD2 4.31Å; W497-F559 HydrophobicContact CE3-CD2 4.35Å; W497-F559 AromaticContact CH2-CD2 3.91Å; W497-F559 HydrophobicContact CH2-CD2 3.91Å; W497-F559 HydrophobicContact CH2-CE2 4.37Å; W497-F559 AromaticContact CZ2-CD2 3.85Å; W497-F559 HydrophobicContact CZ2-CD2 3.85Å; W497-F559 HydrophobicContact CZ3-CD2 4.16Å; W497-F559 HydrophobicContact CZ3-CE2 4.43Å; V509-F559 HydrophobicContact CG1-CE1 4.48Å; V509-F559 HydrophobicContact CG1-CZ 4.46Å; V509-F559 HydrophobicContact CG2-CE1 4.15Å; V509-F559 HydrophobicContact CG2-CE2 4.29Å; V509-F559 HydrophobicContact CG2-CZ 3.76Å; W518-F559 HydrophobicContact CB-CE1 4.07Å; W518-F559 HydrophobicContact CG-CE1 4.06Å; S534-F559 WeakPolarHBondContact CA-O 3.49Å; S534-F559 WeakPolarHBondContact CB-O 3.34Å; S534-F559 PolarHBondContact O-N 3.36Å; L536-F559 HydrophobicContact CB-CE2 4.02Å; L536-F559 HydrophobicContact CD2-CE2 3.93Å; Y557-F559 HydrophobicContact CD1-CZ 4.42Å; Y557-F559 HydrophobicContact CG-CE2 4.45Å; Y557-F559 HydrophobicContact CG-CZ 4.25Å; F559-G567 VanDerWaalsContact CE1-CA 3.45Å | ||
| 560 | D | 72.8 | Confident | 70.6 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 32% | 0.316 | 34% | 0.337 | S | S | . | . | trans | -121.4 | 135.3 | 178.8 | -179.7 | -3 | 0 | 0 | 0 | 108.4 | T558 K562 S563 | T558-D560 HydrophobicContact CG2-CB 4.41Å; D560-K562 PolarHBondContact O-N 2.76Å; D560-K562 VanDerWaalsContact O-N 3.12Å; D560-K562 PolarHBondContact OD1-N 3.28Å; D560-S563 PolarHBondContact N-OG 2.86Å; D560-S563 PolarHBondContact O-N 2.89Å; D560-S563 PolarHBondContact O-OG 2.92Å | ||
| 561 | E | 63.6 | Low | 68.6 | Low | 175 Ų | 175 | 68.7 Ų | 68.7 | 82% | 0.818 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.6 | 174 | -60.7 | 178.5 | 161.4 | 0 | 0 | 112.2 | ||
| 562 | K | 61.9 | Low | 66.4 | Low | 185 Ų | 185 | 66 Ų | 66 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -15.7 | 177 | -61.3 | 176.2 | -177.1 | 172.8 | 0 | 113.6 | D560 S564 | D560-K562 PolarHBondContact O-N 2.76Å; D560-K562 VanDerWaalsContact O-N 3.12Å; D560-K562 PolarHBondContact OD1-N 3.28Å; K562-S564 PolarHBondContact O-N 2.83Å |
| 563 | S | 56.5 | Low | 64 | Low | 35 Ų | 35 | 71.4 Ų | 71.4 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | trans | -80.4 | 116.3 | 172.9 | 58.2 | 0 | 0 | 0 | 0 | 109 | D560 F565 | D560-S563 PolarHBondContact N-OG 2.86Å; D560-S563 PolarHBondContact O-N 2.89Å; D560-S563 PolarHBondContact O-OG 2.92Å; S563-F565 PolarHBondContact O-N 2.87Å; S563-F565 PolarHBondContact OG-O 2.95Å | ||
| 564 | S | 51.2 | Low | 62.3 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 90% | 0.902 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -64.5 | 4.5 | 171.5 | 54 | 0 | 0 | 0 | 0 | 113.8 | K562 | K562-S564 PolarHBondContact O-N 2.83Š|
| 565 | F | 52.5 | Low | 60.7 | Low | 138 Ų | 138 | 82.6 Ų | 82.6 | 61% | 0.605 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -140.7 | 93.7 | 178.8 | -140.7 | -88.5 | 0 | 0 | 0 | 107.7 | W518 S563 G567 | W518-F565 HydrophobicContact CH2-CE1 4.07Å; W518-F565 HydrophobicContact CZ3-CE1 4.29Å; S563-F565 PolarHBondContact O-N 2.87Å; S563-F565 PolarHBondContact OG-O 2.95Å; F565-G567 PolarHBondContact O-N 3.21Å |
| 566 | Y | 56.2 | Low | 60.3 | Low | 93 Ų | 93 | 82.6 Ų | 82.6 | 37% | 0.365 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -60.1 | 127.5 | 164.1 | -65.3 | -80.1 | 0 | 0 | 0 | 107.7 | M517 W518 | M517-Y566 HydrophobicContact SD-CD1 4.13Å; M517-Y566 HydrophobicContact SD-CE1 4Å; W518-Y566 WeakPolarHBondContact CZ3-O 3.21Å |
| 567 | G | 52.4 | Low | 60.4 | Low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 46% | 0.461 | C | S | . | . | S | Bend | trans | 81.7 | 70.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | W518 T558 F559 F565 | W518-G567 VanDerWaalsContact CH2-O 3.31Å; W518-G567 WeakPolarHBondContact CH2-O 2.85Å; W518-G567 WeakPolarHBondContact CZ2-O 3.31Å; T558-G567 PolarHBondContact O-N 3.42Å; F559-G567 VanDerWaalsContact CE1-CA 3.45Å; F565-G567 PolarHBondContact O-N 3.21Å |
| 568 | V | 54.8 | Low | 60.6 | Low | 66 Ų | 66 | 84 Ų | 84 | 40% | 0.4 | 46% | 0.458 | S | S | . | . | 167.9 | 123.1 | 130 | 154 | 0 | 0 | 0 | 0 | 108.1 | Y557 N571 | Y557-V568 HydrophobicContact CD1-CG2 3.92Å; Y557-V568 HydrophobicContact CE1-CG2 3.91Å; V568-N571 HydrophobicContact CG1-CB 4.01Å | |||
| 569 | V | 52.6 | Low | 60.9 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 47% | 0.473 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -123.5 | 111.5 | 167.5 | 169.1 | 0 | 0 | 0 | 0 | 107.1 | T558 | T558-V569 WeakPolarHBondContact OG1-CG2 3.48Š|
| 570 | A | 46.4 | Very low | 61.3 | Low | 69 Ų | 69 | 86.1 Ų | 86.1 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | trans | 57.6 | 82.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | T572 | A570-T572 PolarHBondContact O-N 2.57Š| ||
| 571 | N | 39 | Very low | 62.1 | Low | 134 Ų | 134 | 84.5 Ų | 84.5 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | trans | -70.2 | 80 | 143.1 | -170.9 | -1.9 | 0 | 0 | 0 | 107.2 | V568 S573 | V568-N571 HydrophobicContact CG1-CB 4.01Å; N571-S573 PolarHBondContact O-N 2.94Å | ||
| 572 | T | 39.8 | Very low | 63.1 | Low | 74 Ų | 74 | 80.4 Ų | 80.4 | 45% | 0.454 | 46% | 0.464 | S | S | . | . | trans | -61.5 | 118.4 | 170.7 | -11.4 | 0 | 0 | 0 | 0 | 106.7 | A570 K574 N576 | A570-T572 PolarHBondContact O-N 2.57Å; T572-K574 PolarHBondContact O-N 3.43Å; T572-N576 PolarHBondContact OG1-ND2 3.29Å; T572-N576 PolarHBondContact OG1-OD1 2.78Å | ||
| 573 | S | 40.1 | Very low | 63.9 | Low | 114 Ų | 114 | 74.2 Ų | 74.2 | 80% | 0.797 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -76 | 41.2 | -164.2 | 48.2 | 0 | 0 | 0 | 0 | 114.9 | N571 | N571-S573 PolarHBondContact O-N 2.94Š|
| 574 | K | 53.5 | Low | 65.4 | Low | 181 Ų | 181 | 72.7 Ų | 72.7 | 79% | 0.787 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -167 | 137.3 | 173.1 | -100.1 | 148 | -173 | -178.2 | 0 | 109.4 | T572 N576 | T572-K574 PolarHBondContact O-N 3.43Å; K574-N576 PolarHBondContact O-N 2.77Å |
| 575 | N | 57.7 | Low | 67.1 | Low | 90 Ų | 90 | 68.7 Ų | 68.7 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | trans | -46.2 | 106.6 | -175.5 | -57.5 | 15.1 | 0 | 0 | 0 | 112.5 | D542 C553 S577 | D542-N575 PolarHBondContact OD1-ND2 2.6Å; C553-N575 HydrophobicContact CB-CB 4.44Å; N575-S577 PolarHBondContact O-N 2.86Å | ||
| 576 | N | 78 | Confident | 69.1 | Low | 44 Ų | 44 | 62.5 Ų | 62.5 | 24% | 0.235 | 39% | 0.387 | C | S | . | . | trans | -74.4 | 110.1 | 173.2 | -53.5 | -68.9 | 0 | 0 | 0 | 108.4 | C553 Y554 T572 K574 | C553-N576 CarbonylContact C-O 3.52Å; C553-N576 VanDerWaalsContact CA-O 3.22Å; C553-N576 WeakPolarHBondContact CA-O 3.45Å; Y554-N576 HydrophobicContact CD1-CB 3.84Å; Y554-N576 WeakPolarHBondContact CD1-O 3.33Å; Y554-N576 HydrophobicContact CE1-CB 3.31Å; Y554-N576 HydrophobicContact CE2-CB 4.04Å; Y554-N576 HydrophobicContact CG-CB 4.4Å; Y554-N576 VanDerWaalsContact CZ-CB 3.4Å; Y554-N576 PolarHBondContact N-O 3.32Å; T572-N576 PolarHBondContact OG1-ND2 3.29Å; T572-N576 PolarHBondContact OG1-OD1 2.78Å; K574-N576 PolarHBondContact O-N 2.77Å | ||
| 577 | S | 87.3 | Confident | 70.8 | Confident | 66 Ų | 66 | 61 Ų | 61 | 46% | 0.462 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 145.2 | -179.1 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | L552 N575 W614 | L552-S577 WeakPolarHBondContact O-CA 3.49Å; N575-S577 PolarHBondContact O-N 2.86Å; S577-W614 PolarHBondContact O-NE1 2.91Å |
| 578 | V | 90.4 | Very high | 72.8 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -91.1 | 118.6 | 165.2 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | V539 L552 Y554 L580 T599 W614 | V539-V578 HydrophobicContact CG1-CG2 4.05Å; V539-V578 HydrophobicContact CG2-CG2 4.16Å; L552-V578 HydrophobicContact CB-CB 4.03Å; L552-V578 HydrophobicContact CB-CG2 4.39Å; L552-V578 PolarHBondContact O-N 2.97Å; Y554-V578 HydrophobicContact CD1-CG2 3.87Å; Y554-V578 HydrophobicContact CG-CG2 4.36Å; V578-L580 HydrophobicContact CG1-CD2 4.34Å; V578-L580 PolarHBondContact O-N 2.8Å; V578-T599 HydrophobicContact CG1-CG2 3.98Å; V578-W614 HydrophobicContact CG1-CZ2 4.42Å; V578-W614 HydrophobicContact CG2-CZ2 4.3Å |
| 579 | A | 90.1 | Very high | 74.8 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 120.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R607 W614 | A579-R607 WeakPolarHBondContact O-CD 3.19Å; A579-R607 PolarHBondContact O-NE 3.31Å; A579-W614 HydrophobicContact CB-CB 3.8Å; A579-W614 HydrophobicContact CB-CG 3.86Å |
| 580 | L | 90.7 | Very high | 76.8 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 18% | 0.183 | 35% | 0.35 | C | S | . | . | trans | -111.1 | 168.7 | 172.5 | -59.6 | 178.7 | 0 | 0 | 0 | 110.7 | V550 L552 V578 L586 D601 | V550-L580 HydrophobicContact CB-CD1 4.48Å; L552-L580 HydrophobicContact CD1-CD1 3.96Å; V578-L580 HydrophobicContact CG1-CD2 4.34Å; V578-L580 PolarHBondContact O-N 2.8Å; L580-L586 HydrophobicContact CD1-CB 4.42Å; L580-L586 HydrophobicContact CD2-CB 4.17Å; L580-L586 HydrophobicContact CD2-CD1 4.04Å; L580-D601 HydrophobicContact CD2-CB 4.11Å | ||
| 581 | S | 90 | Very high | 79 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | -73.2 | 154.4 | 166.2 | -53.4 | 0 | 0 | 0 | 0 | 110.5 | G583 A584 D601 R607 | S581-G583 PolarHBondContact O-N 3.2Å; S581-A584 VanDerWaalsContact O-CB 3.25Å; S581-A584 WeakPolarHBondContact O-CB 3.44Å; S581-A584 PolarHBondContact O-N 2.88Å; S581-D601 VanDerWaalsContact CB-OD2 3.27Å; S581-D601 WeakPolarHBondContact CB-OD2 3.25Å; S581-D601 PolarHBondContact N-OD2 2.86Å; S581-D601 PolarHBondContact OG-OD2 3.03Å; S581-R607 PolarHBondContact OG-NH2 3.46Å | ||
| 582 | A | 84.9 | Confident | 81.6 | Confident | 89 Ų | 89 | 45.4 Ų | 45.4 | 74% | 0.736 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 133.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A584 | A582-A584 PolarHBondContact O-N 2.82Š|
| 583 | G | 78.4 | Confident | 83.8 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 7.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D549 S581 | D549-G583 PolarHBondContact OD1-N 3.31Å; S581-G583 PolarHBondContact O-N 3.2Å |
| 584 | A | 87.1 | Confident | 86 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | trans | -97.9 | 150.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S581 A582 D601 S602 I603 | S581-A584 VanDerWaalsContact O-CB 3.25Å; S581-A584 WeakPolarHBondContact O-CB 3.44Å; S581-A584 PolarHBondContact O-N 2.88Å; A582-A584 PolarHBondContact O-N 2.82Å; A584-D601 HydrophobicContact CB-CB 3.97Å; A584-S602 WeakPolarHBondContact CA-OG 3.44Å; A584-I603 HydrophobicContact CB-CD1 4.01Å; A584-I603 HydrophobicContact CB-CG1 3.94Å | ||
| 585 | S | 88.3 | Confident | 87.5 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 32% | 0.315 | 22% | 0.218 | S | C | . | . | trans | -105.9 | 156.9 | 172.9 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | D601 S602 | S585-D601 CarbonylContact O-C 3.56Å; S585-D601 WeakPolarHBondContact O-CA 3.28Å; S585-D601 WeakPolarHBondContact O-CB 3.3Å; S585-S602 PolarHBondContact N-OG 2.97Å; S585-S602 VanDerWaalsContact N-OG 3.08Å; S585-S602 PolarHBondContact O-N 3.41Å | ||
| 586 | L | 92.9 | Very high | 89.1 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.7 | 173.5 | -176.2 | 68.3 | 0 | 0 | 0 | 109.7 | F384 V527 V539 L552 L580 L589 T599 | F384-L586 HydrophobicContact CE1-CG 4.49Å; F384-L586 WeakPolarHBondContact CE1-O 3.49Å; F384-L586 HydrophobicContact CZ-CG 4.26Å; V527-L586 HydrophobicContact CG1-CD2 4.29Å; V539-L586 HydrophobicContact CB-CD2 4.32Å; V539-L586 HydrophobicContact CG1-CD2 3.8Å; L552-L586 HydrophobicContact CD1-CB 3.78Å; L552-L586 HydrophobicContact CD1-CD2 3.84Å; L552-L586 HydrophobicContact CD1-CG 4.43Å; L580-L586 HydrophobicContact CD1-CB 4.42Å; L580-L586 HydrophobicContact CD2-CB 4.17Å; L580-L586 HydrophobicContact CD2-CD1 4.04Å; L586-L589 HydrophobicContact CD2-CD2 3.99Å; L586-T599 HydrophobicContact CD1-CG2 3.95Å |
| 587 | T | 92.1 | Very high | 89.8 | Confident | 61 Ų | 61 | 27.6 Ų | 27.6 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -22.5 | -176.9 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | F384 A600 D601 | F384-T587 WeakPolarHBondContact CE2-O 3.39Å; T587-A600 PolarHBondContact N-O 2.79Å; T587-A600 PolarHBondContact OG1-O 3.43Å; T587-D601 VanDerWaalsContact OG1-C 3.23Å; T587-D601 PolarHBondContact OG1-O 2.77Å; T587-D601 VanDerWaalsContact OG1-O 3.07Å |
| 588 | W | 95.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 151.5 | 178.9 | 178.4 | 91.1 | 0 | 0 | 0 | 110.8 | C590 C598 T599 A600 P633 L636 | W588-C590 HydrophobicContact CH2-CB 3.72Å; W588-C590 WeakPolarHBondContact CH2-SG 3.04Å; W588-C590 HydrophobicContact CZ2-CB 3.59Å; W588-C590 HydrophobicContact CZ3-CB 4.41Å; W588-C598 HydrophobicContact CZ3-CB 4.35Å; W588-T599 CarbonylContact O-C 3.43Å; W588-T599 WeakPolarHBondContact O-CA 3.06Å; W588-A600 HydrophobicContact CB-CB 4.24Å; W588-A600 HydrophobicContact CE3-CB 4Å; W588-A600 PolarHBondContact N-O 3.17Å; W588-A600 PolarHBondContact O-N 3.07Å; W588-P633 HydrophobicContact CB-CG 3.93Å; W588-P633 HydrophobicContact CD2-CB 3.96Å; W588-P633 HydrophobicContact CD2-CG 3.79Å; W588-P633 HydrophobicContact CE3-CB 4.06Å; W588-P633 HydrophobicContact CE3-CG 4.01Å; W588-P633 HydrophobicContact CG-CB 4.41Å; W588-P633 HydrophobicContact CG-CG 3.79Å; W588-P633 HydrophobicContact CH2-CB 4.42Å; W588-P633 HydrophobicContact CZ2-CB 4.35Å; W588-P633 HydrophobicContact CZ3-CB 4.29Å; W588-P633 PolarHBondContact NE1-O 3.42Å; W588-L636 HydrophobicContact CH2-CB 4.32Å |
| 589 | L | 95.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 154.5 | 170.9 | 63.8 | 84.4 | 0 | 0 | 0 | 110.2 | P386 A528 F537 V539 L586 C598 T599 | P386-L589 HydrophobicContact CB-CG 4.41Å; P386-L589 VanDerWaalsContact CB-O 3.24Å; P386-L589 WeakPolarHBondContact CB-O 3.19Å; P386-L589 HydrophobicContact CG-CD1 3.81Å; P386-L589 HydrophobicContact CG-CG 3.7Å; A528-L589 HydrophobicContact CB-CD2 3.48Å; A528-L589 VanDerWaalsContact CB-CD2 3.48Å; A528-L589 HydrophobicContact CB-CG 4.18Å; F537-L589 HydrophobicContact CD1-CB 4.27Å; F537-L589 HydrophobicContact CD1-CD1 3.74Å; F537-L589 HydrophobicContact CD1-CG 4.42Å; F537-L589 HydrophobicContact CE1-CB 3.88Å; F537-L589 HydrophobicContact CE1-CD1 4.17Å; F537-L589 HydrophobicContact CE1-CD2 4.34Å; F537-L589 HydrophobicContact CE1-CG 4.37Å; V539-L589 HydrophobicContact CB-CD2 4.11Å; V539-L589 HydrophobicContact CG2-CD2 3.67Å; L586-L589 HydrophobicContact CD2-CD2 3.99Å; L589-C598 CarbonylContact C-O 3.6Å; L589-C598 WeakPolarHBondContact CA-O 3.44Å; L589-C598 WeakPolarHBondContact CB-O 3.36Å; L589-T599 HydrophobicContact CB-CG2 4.15Å |
| 590 | C | 94.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 5% | 0.054 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 169.8 | 172.5 | 83.3 | 0 | 0 | 0 | 0 | 113.1 | W588 C598 | W588-C590 HydrophobicContact CH2-CB 3.72Å; W588-C590 WeakPolarHBondContact CH2-SG 3.04Å; W588-C590 HydrophobicContact CZ2-CB 3.59Å; W588-C590 HydrophobicContact CZ3-CB 4.41Å; C590-C598 PolarHBondContact N-O 3.33Å; C590-C598 PolarHBondContact O-N 2.93Å |
| 591 | V | 93.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.1 | 160.6 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | R532 R535 F537 T596 F597 | R532-V591 HydrophobicContact CB-CB 3.7Å; R532-V591 HydrophobicContact CB-CG1 3.87Å; R532-V591 WeakPolarHBondContact CD-O 3.09Å; R532-V591 PolarHBondContact NH1-O 3.21Å; R535-V591 HydrophobicContact CB-CG1 4.27Å; F537-V591 HydrophobicContact CB-CG2 3.79Å; V591-T596 WeakPolarHBondContact CA-O 3.37Å; V591-F597 HydrophobicContact CG1-CD1 4.35Å; V591-F597 HydrophobicContact CG1-CE1 4.35Å; V591-F597 HydrophobicContact CG2-CD1 4.01Å; V591-F597 HydrophobicContact CG2-CE1 4.14Å |
| 592 | T | 92.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | trans | -81.4 | 174.4 | -178 | 63.6 | 0 | 0 | 0 | 0 | 113 | R532 L594 G595 T596 C598 L636 E638 | R532-T592 WeakPolarHBondContact CD-O 3.2Å; T592-L594 PolarHBondContact O-N 2.93Å; T592-L594 PolarHBondContact OG1-N 2.96Å; T592-G595 PolarHBondContact O-N 2.84Å; T592-G595 PolarHBondContact OG1-N 2.91Å; T592-T596 PolarHBondContact N-O 2.84Å; T592-T596 WeakPolarHBondContact OG1-CB 3.21Å; T592-T596 PolarHBondContact OG1-N 2.87Å; T592-T596 PolarHBondContact OG1-O 2.59Å; T592-C598 WeakPolarHBondContact CG2-SG 3.39Å; T592-L636 HydrophobicContact CG2-CB 4.5Å; T592-L636 HydrophobicContact CG2-CD2 3.77Å; T592-E638 WeakPolarHBondContact CB-OE1 3.46Å; T592-E638 HydrophobicContact CG2-CG 4.14Å; T592-E638 WeakPolarHBondContact CG2-OE1 3.42Å; T592-E638 PolarHBondContact OG1-OE1 2.59Å | ||
| 593 | E | 87 | Confident | 90.7 | Very high | 52 Ų | 52 | 21.2 Ų | 21.2 | 24% | 0.243 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -31.6 | 173.5 | 48.2 | -95.1 | 175.3 | 0 | 0 | 114.2 | R402 R532 G595 Q637 E638 E639 | R402-E593 IonicContact NH1-OE2 2.64Å; R402-E593 PolarHBondContact NH1-OE2 3.2Å; R532-E593 IonicContact CZ-OE2 2.66Å; R532-E593 IonicContact NH2-OE2 2.68Å; R532-E593 PolarHBondContact NH2-OE2 3.47Å; E593-G595 VanDerWaalsContact C-N 3.27Å; E593-Q637 WeakPolarHBondContact OE1-CA 3.35Å; E593-E638 PolarHBondContact OE1-N 3.1Å; E593-E639 HydrophobicContact CG-CG 4.46Å |
| 594 | L | 85.5 | Confident | 91.2 | Very high | 35 Ų | 35 | 18.8 Ų | 18.8 | 18% | 0.183 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.9 | 179.7 | -56.7 | -171 | 0 | 0 | 0 | 112.6 | T592 E638 F695 A698 | T592-L594 PolarHBondContact O-N 2.93Å; T592-L594 PolarHBondContact OG1-N 2.96Å; L594-E638 HydrophobicContact CD1-CB 4.1Å; L594-E638 HydrophobicContact CG-CB 4.43Å; L594-F695 HydrophobicContact CD1-CD1 3.83Å; L594-F695 HydrophobicContact CD1-CE1 3.79Å; L594-F695 HydrophobicContact CD1-CG 4.44Å; L594-F695 HydrophobicContact CD1-CZ 4.37Å; L594-A698 HydrophobicContact CB-CB 4Å; L594-A698 HydrophobicContact CD1-CB 4.24Å; L594-A698 HydrophobicContact CD2-CB 4.27Å; L594-A698 HydrophobicContact CG-CB 4.39Å |
| 595 | G | 86 | Confident | 91.5 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 10% | 0.103 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 82.6 | 14.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R535 T592 E593 | R535-G595 WeakPolarHBondContact CD-O 3.16Å; R535-G595 PolarHBondContact NH1-O 3.34Å; T592-G595 PolarHBondContact O-N 2.84Å; T592-G595 PolarHBondContact OG1-N 2.91Å; E593-G595 VanDerWaalsContact C-N 3.27Å |
| 596 | T | 90.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 17.7 Ų | 17.7 | 10% | 0.104 | 10% | 0.101 | C | C | . | . | trans | -81.6 | 151.1 | 178.4 | -43.5 | 0 | 0 | 0 | 0 | 110.7 | V591 T592 I608 L609 E638 L694 | V591-T596 WeakPolarHBondContact CA-O 3.37Å; T592-T596 PolarHBondContact N-O 2.84Å; T592-T596 WeakPolarHBondContact OG1-CB 3.21Å; T592-T596 PolarHBondContact OG1-N 2.87Å; T592-T596 PolarHBondContact OG1-O 2.59Å; T596-I608 HydrophobicContact CG2-CD1 3.88Å; T596-I608 HydrophobicContact CG2-CG1 3.53Å; T596-L609 WeakPolarHBondContact CG2-O 3.22Å; T596-E638 WeakPolarHBondContact CB-OE1 3.42Å; T596-E638 PolarHBondContact OG1-OE1 2.99Å; T596-E638 PolarHBondContact OG1-OE2 3.37Å; T596-L694 HydrophobicContact CG2-CD2 3.75Å | ||
| 597 | F | 93.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.6 | 179.7 | -53.2 | -37.1 | 0 | 0 | 0 | 111.6 | R535 F537 Y554 A556 V591 L609 W614 | R535-F597 HydrophobicContact CB-CE1 4.42Å; F537-F597 HydrophobicContact CB-CD1 3.67Å; F537-F597 HydrophobicContact CB-CE1 3.84Å; F537-F597 HydrophobicContact CB-CG 4.23Å; F537-F597 HydrophobicContact CD1-CB 3.92Å; F537-F597 HydrophobicContact CD1-CD1 4.22Å; F537-F597 HydrophobicContact CD1-CG 4.19Å; F537-F597 HydrophobicContact CD2-CB 4.06Å; F537-F597 HydrophobicContact CD2-CD1 4.09Å; F537-F597 AromaticContact CD2-CD2 3.92Å; F537-F597 HydrophobicContact CD2-CD2 3.92Å; F537-F597 HydrophobicContact CD2-CE2 4.43Å; F537-F597 AromaticContact CD2-CG 3.75Å; F537-F597 HydrophobicContact CD2-CG 3.75Å; F537-F597 HydrophobicContact CE1-CB 3.89Å; F537-F597 HydrophobicContact CE2-CB 4Å; F537-F597 HydrophobicContact CE2-CD2 4.22Å; F537-F597 HydrophobicContact CE2-CG 4.12Å; F537-F597 HydrophobicContact CG-CB 4.05Å; F537-F597 AromaticContact CG-CD1 3.76Å; F537-F597 HydrophobicContact CG-CD1 3.76Å; F537-F597 HydrophobicContact CG-CD2 4.42Å; F537-F597 HydrophobicContact CG-CE1 4.33Å; F537-F597 AromaticContact CG-CG 3.81Å; F537-F597 HydrophobicContact CG-CG 3.81Å; F537-F597 HydrophobicContact CZ-CB 3.97Å; Y554-F597 HydrophobicContact CE2-CD2 4.47Å; A556-F597 HydrophobicContact CB-CE2 3.53Å; A556-F597 HydrophobicContact CB-CZ 3.75Å; V591-F597 HydrophobicContact CG1-CD1 4.35Å; V591-F597 HydrophobicContact CG1-CE1 4.35Å; V591-F597 HydrophobicContact CG2-CD1 4.01Å; V591-F597 HydrophobicContact CG2-CE1 4.14Å; F597-L609 HydrophobicContact CB-CB 4.33Å; F597-L609 HydrophobicContact CB-CD2 4.43Å; F597-L609 HydrophobicContact CD2-CD2 3.86Å; F597-L609 PolarHBondContact O-N 3.2Å; F597-W614 HydrophobicContact CB-CH2 4.24Å |
| 598 | C | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.7 | -178.5 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | W588 L589 C590 T592 R607 L636 | W588-C598 HydrophobicContact CZ3-CB 4.35Å; L589-C598 CarbonylContact C-O 3.6Å; L589-C598 WeakPolarHBondContact CA-O 3.44Å; L589-C598 WeakPolarHBondContact CB-O 3.36Å; C590-C598 PolarHBondContact N-O 3.33Å; C590-C598 PolarHBondContact O-N 2.93Å; T592-C598 WeakPolarHBondContact CG2-SG 3.39Å; C598-R607 CarbonylContact C-O 3.56Å; C598-R607 VanDerWaalsContact CA-O 3.25Å; C598-R607 WeakPolarHBondContact CA-O 3.26Å; C598-L636 HydrophobicContact CB-CD1 4.47Å |
| 599 | T | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.1 | 178.9 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | F537 V578 L586 W588 L589 V606 R607 W614 | F537-T599 HydrophobicContact CE1-CG2 3.9Å; F537-T599 HydrophobicContact CZ-CG2 3.93Å; V578-T599 HydrophobicContact CG1-CG2 3.98Å; L586-T599 HydrophobicContact CD1-CG2 3.95Å; W588-T599 CarbonylContact O-C 3.43Å; W588-T599 WeakPolarHBondContact O-CA 3.06Å; L589-T599 HydrophobicContact CB-CG2 4.15Å; T599-V606 CarbonylContact O-C 3.53Å; T599-V606 WeakPolarHBondContact O-CA 3.49Å; T599-R607 PolarHBondContact N-O 3.13Å; T599-R607 PolarHBondContact O-N 2.73Å; T599-W614 HydrophobicContact CG2-CH2 3.8Å; T599-W614 HydrophobicContact CG2-CZ3 3.86Å |
| 600 | A | 94.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T587 W588 T605 V606 P633 | T587-A600 PolarHBondContact N-O 2.79Å; T587-A600 PolarHBondContact OG1-O 3.43Å; W588-A600 HydrophobicContact CB-CB 4.24Å; W588-A600 HydrophobicContact CE3-CB 4Å; W588-A600 PolarHBondContact N-O 3.17Å; W588-A600 PolarHBondContact O-N 3.07Å; A600-T605 WeakPolarHBondContact CA-O 3.38Å; A600-V606 HydrophobicContact CB-CG2 4Å; A600-P633 HydrophobicContact CB-CG 4.11Å |
| 601 | D | 92.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 175.3 | -179.8 | 64.8 | 23.4 | 0 | 0 | 0 | 113.2 | L580 S581 A584 S585 T587 I603 G604 T605 R607 | L580-D601 HydrophobicContact CD2-CB 4.11Å; S581-D601 VanDerWaalsContact CB-OD2 3.27Å; S581-D601 WeakPolarHBondContact CB-OD2 3.25Å; S581-D601 PolarHBondContact N-OD2 2.86Å; S581-D601 PolarHBondContact OG-OD2 3.03Å; A584-D601 HydrophobicContact CB-CB 3.97Å; S585-D601 CarbonylContact O-C 3.56Å; S585-D601 WeakPolarHBondContact O-CA 3.28Å; S585-D601 WeakPolarHBondContact O-CB 3.3Å; T587-D601 VanDerWaalsContact OG1-C 3.23Å; T587-D601 PolarHBondContact OG1-O 2.77Å; T587-D601 VanDerWaalsContact OG1-O 3.07Å; D601-I603 PolarHBondContact O-N 3.45Å; D601-I603 PolarHBondContact OD1-N 2.9Å; D601-G604 WeakPolarHBondContact O-CA 3.34Å; D601-G604 PolarHBondContact O-N 2.9Å; D601-G604 PolarHBondContact OD1-N 2.82Å; D601-T605 PolarHBondContact N-O 3.32Å; D601-T605 PolarHBondContact OD1-N 2.86Å; D601-R607 IonicContact OD2-CZ 2.66Å; D601-R607 IonicContact OD2-NH1 3.27Å; D601-R607 PolarHBondContact OD2-NH1 3.48Å; D601-R607 IonicContact OD2-NH2 3Å; D601-R607 PolarHBondContact OD2-NH2 3.31Å |
| 602 | S | 88.7 | Confident | 90.3 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 25% | 0.252 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.4 | -179 | 59 | 0 | 0 | 0 | 0 | 114.8 | A584 S585 | A584-S602 WeakPolarHBondContact CA-OG 3.44Å; S585-S602 PolarHBondContact N-OG 2.97Å; S585-S602 VanDerWaalsContact N-OG 3.08Å; S585-S602 PolarHBondContact O-N 3.41Å |
| 603 | I | 86.1 | Confident | 90.1 | Very high | 85 Ų | 85 | 26.3 Ų | 26.3 | 44% | 0.436 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -20 | 171.5 | -60.9 | -176.4 | 0 | 0 | 0 | 110.4 | A584 D601 | A584-I603 HydrophobicContact CB-CD1 4.01Å; A584-I603 HydrophobicContact CB-CG1 3.94Å; D601-I603 PolarHBondContact O-N 3.45Å; D601-I603 PolarHBondContact OD1-N 2.9Å |
| 604 | G | 88.7 | Confident | 90.4 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | trans | 95.9 | 17.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | D601 V606 L620 | D601-G604 WeakPolarHBondContact O-CA 3.34Å; D601-G604 PolarHBondContact O-N 2.9Å; D601-G604 PolarHBondContact OD1-N 2.82Å; G604-V606 PolarHBondContact O-N 3.24Å; G604-L620 WeakPolarHBondContact O-CB 3.32Å; G604-L620 PolarHBondContact O-N 2.84Å | ||
| 605 | T | 92.7 | Very high | 90.7 | Very high | 23 Ų | 23 | 25.7 Ų | 25.7 | 14% | 0.141 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.5 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 110 | A600 D601 R607 P616 | A600-T605 WeakPolarHBondContact CA-O 3.38Å; D601-T605 PolarHBondContact N-O 3.32Å; D601-T605 PolarHBondContact OD1-N 2.86Å; T605-R607 HydrophobicContact CG2-CG 4.31Å; T605-R607 PolarHBondContact O-NH1 3.37Å; T605-P616 HydrophobicContact CG2-CB 4.01Å |
| 606 | V | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.5 | 176 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | T599 A600 G604 P616 V617 C618 L620 L636 I643 | T599-V606 CarbonylContact O-C 3.53Å; T599-V606 WeakPolarHBondContact O-CA 3.49Å; A600-V606 HydrophobicContact CB-CG2 4Å; G604-V606 PolarHBondContact O-N 3.24Å; V606-P616 WeakPolarHBondContact O-CA 3.38Å; V606-V617 HydrophobicContact CB-CG2 4.1Å; V606-V617 HydrophobicContact CG1-CG2 3.89Å; V606-V617 WeakPolarHBondContact O-CG2 2.88Å; V606-V617 PolarHBondContact O-N 2.77Å; V606-C618 PolarHBondContact N-O 3.49Å; V606-L620 HydrophobicContact CG2-CD1 3.54Å; V606-L620 HydrophobicContact CG2-CG 3.73Å; V606-L636 HydrophobicContact CG1-CD1 3.76Å; V606-I643 HydrophobicContact CB-CD1 4.14Å; V606-I643 HydrophobicContact CG1-CD1 4.13Å; V606-I643 HydrophobicContact CG2-CD1 4.18Å |
| 607 | R | 95.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.5 | -179.3 | -60.6 | 173.7 | 178.4 | 80.4 | -1.8 | 111.1 | A579 S581 C598 T599 D601 T605 W614 I615 P616 | A579-R607 WeakPolarHBondContact O-CD 3.19Å; A579-R607 PolarHBondContact O-NE 3.31Å; S581-R607 PolarHBondContact OG-NH2 3.46Å; C598-R607 CarbonylContact C-O 3.56Å; C598-R607 VanDerWaalsContact CA-O 3.25Å; C598-R607 WeakPolarHBondContact CA-O 3.26Å; T599-R607 PolarHBondContact N-O 3.13Å; T599-R607 PolarHBondContact O-N 2.73Å; D601-R607 IonicContact OD2-CZ 2.66Å; D601-R607 IonicContact OD2-NH1 3.27Å; D601-R607 PolarHBondContact OD2-NH1 3.48Å; D601-R607 IonicContact OD2-NH2 3Å; D601-R607 PolarHBondContact OD2-NH2 3.31Å; T605-R607 HydrophobicContact CG2-CG 4.31Å; T605-R607 PolarHBondContact O-NH1 3.37Å; R607-W614 HydrophobicContact CB-CB 4.5Å; R607-W614 HydrophobicContact CB-CE3 4.06Å; R607-I615 CarbonylContact C-O 3.54Å; R607-I615 VanDerWaalsContact CA-O 3.22Å; R607-I615 WeakPolarHBondContact CA-O 3.3Å; R607-P616 HydrophobicContact CG-CB 4.39Å |
| 608 | I | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.3 | 172.6 | -170.9 | 164.9 | 0 | 0 | 0 | 109.8 | T596 V610 I615 V617 L636 E638 W667 L694 | T596-I608 HydrophobicContact CG2-CD1 3.88Å; T596-I608 HydrophobicContact CG2-CG1 3.53Å; I608-V610 HydrophobicContact CG2-CG2 3.89Å; I608-I615 HydrophobicContact CG2-CB 4.31Å; I608-I615 PolarHBondContact N-O 3.04Å; I608-I615 PolarHBondContact O-N 2.77Å; I608-V617 HydrophobicContact CB-CG1 4.28Å; I608-V617 HydrophobicContact CG2-CG1 3.45Å; I608-V617 VanDerWaalsContact CG2-CG1 3.45Å; I608-L636 HydrophobicContact CD1-CD2 4.13Å; I608-E638 HydrophobicContact CD1-CG 3.89Å; I608-W667 HydrophobicContact CD1-CH2 4.38Å; I608-L694 HydrophobicContact CD1-CD1 3.95Å; I608-L694 HydrophobicContact CD1-CD2 4.28Å |
| 609 | L | 91.6 | Very high | 90.9 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115 | 178.5 | -177 | 67.7 | 0 | 0 | 0 | 110.9 | Y554 T596 F597 W614 | Y554-L609 HydrophobicContact CE1-CD2 4.47Å; Y554-L609 HydrophobicContact CE2-CD2 4.21Å; Y554-L609 WeakPolarHBondContact OH-CD2 3.36Å; T596-L609 WeakPolarHBondContact CG2-O 3.22Å; F597-L609 HydrophobicContact CB-CB 4.33Å; F597-L609 HydrophobicContact CB-CD2 4.43Å; F597-L609 HydrophobicContact CD2-CD2 3.86Å; F597-L609 PolarHBondContact O-N 3.2Å; L609-W614 HydrophobicContact CB-CD2 4.43Å; L609-W614 HydrophobicContact CB-CE3 4.04Å; L609-W614 HydrophobicContact CB-CH2 4Å; L609-W614 HydrophobicContact CB-CZ2 4.4Å; L609-W614 HydrophobicContact CB-CZ3 3.82Å; L609-W614 HydrophobicContact CD1-CD2 4.1Å; L609-W614 HydrophobicContact CD1-CG 4.4Å; L609-W614 HydrophobicContact CD1-CZ2 4.26Å |
| 610 | V | 87.7 | Confident | 90.4 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.9 | 178.1 | -163.8 | 0 | 0 | 0 | 0 | 108.9 | I608 G612 A613 I615 I690 Q693 L694 | I608-V610 HydrophobicContact CG2-CG2 3.89Å; V610-G612 PolarHBondContact O-N 2.91Å; V610-G612 VanDerWaalsContact O-N 3.12Å; V610-A613 PolarHBondContact N-O 2.9Å; V610-A613 PolarHBondContact O-N 2.88Å; V610-I615 HydrophobicContact CB-CD1 3.76Å; V610-I615 HydrophobicContact CB-CG1 4.32Å; V610-I615 HydrophobicContact CG1-CD1 4.49Å; V610-I615 HydrophobicContact CG2-CD1 3.71Å; V610-I615 HydrophobicContact CG2-CG1 4.14Å; V610-I690 HydrophobicContact CG2-CG2 4.21Å; V610-Q693 HydrophobicContact CG1-CB 4.23Å; V610-L694 HydrophobicContact CG1-CD2 4.34Å; V610-L694 HydrophobicContact CG1-CG 4.42Å; V610-L694 HydrophobicContact CG2-CD2 4.05Å; V610-L694 HydrophobicContact CG2-CG 4.39Å |
| 611 | N | 82.3 | Confident | 89.8 | Confident | 104 Ų | 104 | 30.2 Ų | 30.2 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 34.8 | 178.4 | -54 | -5.3 | 0 | 0 | 0 | 114.5 | A613 Q693 H697 | N611-A613 VanDerWaalsContact C-N 3.34Å; N611-Q693 PolarHBondContact ND2-OE1 3.08Å; N611-H697 PolarHBondContact OD1-CD2 2.91Å; N611-H697 PolarHBondContact OD1-NE2 2.85Å |
| 612 | G | 82.9 | Confident | 88.8 | Confident | 61 Ų | 61 | 34.3 Ų | 34.3 | 63% | 0.629 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -0.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V610 | V610-G612 PolarHBondContact O-N 2.91Å; V610-G612 VanDerWaalsContact O-N 3.12Å |
| 613 | A | 88.5 | Confident | 87.4 | Confident | 54 Ų | 54 | 38.5 Ų | 38.5 | 45% | 0.446 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V610 N611 I615 | V610-A613 PolarHBondContact N-O 2.9Å; V610-A613 PolarHBondContact O-N 2.88Å; N611-A613 VanDerWaalsContact C-N 3.34Å; A613-I615 PolarHBondContact O-N 3.31Å |
| 614 | W | 92.5 | Very high | 85.9 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 13% | 0.129 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 107.3 | 173.3 | -70.4 | 103.3 | 0 | 0 | 0 | 110.5 | F537 Y554 S577 V578 A579 F597 T599 R607 L609 | F537-W614 HydrophobicContact CE1-CH2 4.38Å; F537-W614 HydrophobicContact CE2-CH2 4.32Å; F537-W614 AromaticContact CZ-CH2 3.65Å; F537-W614 HydrophobicContact CZ-CH2 3.65Å; F537-W614 HydrophobicContact CZ-CZ2 4.22Å; Y554-W614 AromaticContact CD1-CZ2 3.92Å; Y554-W614 HydrophobicContact CD1-CZ2 3.92Å; Y554-W614 AromaticContact CE1-CZ2 3.89Å; Y554-W614 HydrophobicContact CE1-CZ2 3.89Å; S577-W614 PolarHBondContact O-NE1 2.91Å; V578-W614 HydrophobicContact CG1-CZ2 4.42Å; V578-W614 HydrophobicContact CG2-CZ2 4.3Å; A579-W614 HydrophobicContact CB-CB 3.8Å; A579-W614 HydrophobicContact CB-CG 3.86Å; F597-W614 HydrophobicContact CB-CH2 4.24Å; T599-W614 HydrophobicContact CG2-CH2 3.8Å; T599-W614 HydrophobicContact CG2-CZ3 3.86Å; R607-W614 HydrophobicContact CB-CB 4.5Å; R607-W614 HydrophobicContact CB-CE3 4.06Å; L609-W614 HydrophobicContact CB-CD2 4.43Å; L609-W614 HydrophobicContact CB-CE3 4.04Å; L609-W614 HydrophobicContact CB-CH2 4Å; L609-W614 HydrophobicContact CB-CZ2 4.4Å; L609-W614 HydrophobicContact CB-CZ3 3.82Å; L609-W614 HydrophobicContact CD1-CD2 4.1Å; L609-W614 HydrophobicContact CD1-CG 4.4Å; L609-W614 HydrophobicContact CD1-CZ2 4.26Å |
| 615 | I | 92.6 | Very high | 84.4 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.205 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.7 | -179.5 | -55.4 | -173.5 | 0 | 0 | 0 | 109.8 | R607 I608 V610 A613 V617 I690 | R607-I615 CarbonylContact C-O 3.54Å; R607-I615 VanDerWaalsContact CA-O 3.22Å; R607-I615 WeakPolarHBondContact CA-O 3.3Å; I608-I615 HydrophobicContact CG2-CB 4.31Å; I608-I615 PolarHBondContact N-O 3.04Å; I608-I615 PolarHBondContact O-N 2.77Å; V610-I615 HydrophobicContact CB-CD1 3.76Å; V610-I615 HydrophobicContact CB-CG1 4.32Å; V610-I615 HydrophobicContact CG1-CD1 4.49Å; V610-I615 HydrophobicContact CG2-CD1 3.71Å; V610-I615 HydrophobicContact CG2-CG1 4.14Å; A613-I615 PolarHBondContact O-N 3.31Å; I615-V617 PolarHBondContact O-N 3.39Å; I615-I690 HydrophobicContact CD1-CD1 4.1Å; I615-I690 HydrophobicContact CD1-CG1 3.96Å; I615-I690 HydrophobicContact CG2-CD1 3.92Å |
| 616 | P | 93.8 | Very high | 82.5 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123 | 172.5 | 29.6 | -33.2 | 0 | 0 | 0 | 110.6 | T605 V606 R607 P670 | T605-P616 HydrophobicContact CG2-CB 4.01Å; V606-P616 WeakPolarHBondContact O-CA 3.38Å; R607-P616 HydrophobicContact CG-CB 4.39Å; P616-P670 HydrophobicContact CB-CG 4.12Å; P616-P670 HydrophobicContact CG-CG 3.89Å |
| 617 | V | 92.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -22.2 | -177 | -65.6 | 0 | 0 | 0 | 0 | 114 | V606 I608 I615 L636 I643 W667 K668 | V606-V617 HydrophobicContact CB-CG2 4.1Å; V606-V617 HydrophobicContact CG1-CG2 3.89Å; V606-V617 WeakPolarHBondContact O-CG2 2.88Å; V606-V617 PolarHBondContact O-N 2.77Å; I608-V617 HydrophobicContact CB-CG1 4.28Å; I608-V617 HydrophobicContact CG2-CG1 3.45Å; I608-V617 VanDerWaalsContact CG2-CG1 3.45Å; I615-V617 PolarHBondContact O-N 3.39Å; V617-L636 HydrophobicContact CG2-CD1 4.05Å; V617-I643 HydrophobicContact CG2-CD1 4.29Å; V617-W667 HydrophobicContact CB-CD2 4.14Å; V617-W667 HydrophobicContact CB-CE3 4.4Å; V617-W667 HydrophobicContact CB-CG 4.23Å; V617-W667 HydrophobicContact CG1-CD2 4.26Å; V617-W667 HydrophobicContact CG1-CE3 4.11Å; V617-W667 HydrophobicContact CG1-CZ3 4.33Å; V617-K668 CarbonylContact O-C 3.59Å; V617-K668 VanDerWaalsContact O-C 3.26Å; V617-K668 PolarHBondContact O-N 3.15Å |
| 618 | C | 90.9 | Very high | 79.4 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 144.9 | 177.4 | -163.9 | 0 | 0 | 0 | 0 | 110.3 | V606 I643 K668 | V606-C618 PolarHBondContact N-O 3.49Å; C618-I643 HydrophobicContact CB-CD1 3.53Å; C618-K668 WeakPolarHBondContact CA-O 3.44Å |
| 619 | A | 90 | Very high | 78.8 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.5 | 158 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||
| 620 | L | 87.3 | Confident | 78.5 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | trans | -73.2 | -33.4 | -174.1 | -72 | 177.9 | 0 | 0 | 0 | 112.9 | G604 V606 L631 P633 I643 V665 | G604-L620 WeakPolarHBondContact O-CB 3.32Å; G604-L620 PolarHBondContact O-N 2.84Å; V606-L620 HydrophobicContact CG2-CD1 3.54Å; V606-L620 HydrophobicContact CG2-CG 3.73Å; L620-L631 HydrophobicContact CB-CB 4.14Å; L620-L631 HydrophobicContact CD2-CB 4.41Å; L620-P633 HydrophobicContact CD1-CB 4.07Å; L620-P633 HydrophobicContact CD1-CG 4.2Å; L620-I643 HydrophobicContact CD2-CD1 4.42Å; L620-V665 HydrophobicContact CD2-CB 4.43Å; L620-V665 HydrophobicContact CD2-CG1 4.29Å; L620-V665 HydrophobicContact CD2-CG2 4.28Å | ||
| 621 | N | 82 | Confident | 78.7 | Confident | 33 Ų | 33 | 63 Ų | 63 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | trans | -125.1 | 120.2 | -175.8 | -56.1 | -58.4 | 0 | 0 | 0 | 108.2 | Y630 L631 | N621-Y630 HydrophobicContact CB-CD1 4.43Å; N621-Y630 WeakPolarHBondContact OD1-CA 3.33Å; N621-L631 PolarHBondContact ND2-O 2.67Å; N621-L631 PolarHBondContact OD1-N 2.9Å | ||
| 622 | E | 70.1 | Confident | 79.2 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | trans | -93.3 | 132.4 | 173.4 | -70.4 | 169 | 170.9 | 0 | 0 | 108.3 | D624 Q625 K668 | E622-D624 PolarHBondContact O-N 3.13Å; E622-D624 VanDerWaalsContact O-N 3.1Å; E622-Q625 HydrophobicContact CB-CG 4.15Å; E622-Q625 PolarHBondContact O-N 3.48Å; E622-Q625 PolarHBondContact OE2-NE2 3.1Å; E622-Q625 VanDerWaalsContact OE2-NE2 3.13Å; E622-K668 IonicContact OE1-NZ 2.78Å; E622-K668 PolarHBondContact OE1-NZ 2.97Å | ||
| 623 | P | 60.3 | Low | 79.7 | Confident | 123 Ų | 123 | 56.8 Ų | 56.8 | 80% | 0.799 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.7 | -168.8 | 25.1 | -35.3 | 0 | 0 | 0 | 114.5 | ||
| 624 | D | 54.9 | Low | 80 | Confident | 133 Ų | 133 | 54.4 Ų | 54.4 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 9.9 | -176.2 | -65.1 | -42.4 | 0 | 0 | 0 | 114 | E622 V626 | E622-D624 PolarHBondContact O-N 3.13Å; E622-D624 VanDerWaalsContact O-N 3.1Å; D624-V626 PolarHBondContact O-N 2.92Å |
| 625 | Q | 56.4 | Low | 80.2 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | trans | -70.4 | 107.8 | 175.7 | -71.3 | -169.3 | 17.7 | 0 | 0 | 111.1 | E622 D627 | E622-Q625 HydrophobicContact CB-CG 4.15Å; E622-Q625 PolarHBondContact O-N 3.48Å; E622-Q625 PolarHBondContact OE2-NE2 3.1Å; E622-Q625 VanDerWaalsContact OE2-NE2 3.13Å; Q625-D627 PolarHBondContact O-N 3.34Å | ||
| 626 | V | 52.4 | Low | 80.2 | Confident | 130 Ų | 130 | 51.2 Ų | 51.2 | 79% | 0.788 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -64.1 | -28.3 | -179 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | D624 | D624-V626 PolarHBondContact O-N 2.92Š|
| 627 | D | 58.1 | Low | 80.1 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -78.8 | 124.1 | 169.6 | -71.8 | -37.8 | 0 | 0 | 0 | 109.4 | Q625 E629 | Q625-D627 PolarHBondContact O-N 3.34Å; D627-E629 PolarHBondContact O-N 2.87Å |
| 628 | Q | 67.3 | Low | 79.8 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | trans | -74.3 | 50.9 | -176.6 | -59.8 | 179.1 | -38.6 | 0 | 0 | 112.1 | L7 K649 R650 | L7-Q628 PolarHBondContact O-NE2 3.43Å; Q628-K649 CarbonylContact O-C 3.52Å; Q628-R650 HydrophobicContact CB-CG 4.49Å; Q628-R650 PolarHBondContact O-N 2.73Å | ||
| 629 | E | 80.2 | Confident | 79.2 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.9 | 178.1 | -58.1 | -159.5 | 150.8 | 0 | 0 | 109.9 | D627 R647 C648 K649 | D627-E629 PolarHBondContact O-N 2.87Å; E629-R647 IonicContact OE2-CZ 2.78Å; E629-R647 IonicContact OE2-NE 2.74Å; E629-R647 PolarHBondContact OE2-NE 3.02Å; E629-R647 IonicContact OE2-NH2 3.51Å; E629-R647 PolarHBondContact OE2-NH2 3.1Å; E629-C648 CarbonylContact C-O 3.52Å; E629-C648 WeakPolarHBondContact CA-O 3.42Å; E629-K649 HydrophobicContact CG-CG 4.36Å; E629-K649 WeakPolarHBondContact OE1-CE 3.14Å; E629-K649 IonicContact OE1-NZ 3.57Å; E629-K649 PolarHBondContact OE1-NZ 3.39Å |
| 630 | Y | 87.1 | Confident | 79 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.9 | 179.6 | -61.6 | -88.3 | 0 | 0 | 0 | 110 | P6 N621 C648 S651 K652 | P6-Y630 WeakPolarHBondContact CG-OH 3.31Å; N621-Y630 HydrophobicContact CB-CD1 4.43Å; N621-Y630 WeakPolarHBondContact OD1-CA 3.33Å; Y630-C648 PolarHBondContact N-O 2.79Å; Y630-C648 PolarHBondContact O-N 3.16Å; Y630-S651 VanDerWaalsContact CD2-C 3.49Å; Y630-S651 WeakPolarHBondContact CD2-O 3.12Å; Y630-K652 HydrophobicContact CD1-CG 3.9Å; Y630-K652 HydrophobicContact CD2-CG 4.48Å; Y630-K652 HydrophobicContact CE1-CG 3.9Å; Y630-K652 HydrophobicContact CE2-CG 4.48Å; Y630-K652 HydrophobicContact CG-CB 4.5Å; Y630-K652 HydrophobicContact CG-CG 4.18Å |
| 631 | L | 91.1 | Very high | 79 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.8 | 174.8 | -66.6 | 170.9 | 0 | 0 | 0 | 109.1 | L620 N621 C645 R647 V665 | L620-L631 HydrophobicContact CB-CB 4.14Å; L620-L631 HydrophobicContact CD2-CB 4.41Å; N621-L631 PolarHBondContact ND2-O 2.67Å; N621-L631 PolarHBondContact OD1-N 2.9Å; L631-C645 HydrophobicContact CB-CB 4.21Å; L631-C645 HydrophobicContact CD2-CB 4.24Å; L631-R647 HydrophobicContact CD2-CB 4.34Å; L631-R647 HydrophobicContact CD2-CG 4.29Å; L631-V665 HydrophobicContact CD1-CG2 3.92Å |
| 632 | W | 92.5 | Very high | 79.4 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.1 | -177.7 | -176.5 | 86.1 | 0 | 0 | 0 | 109.9 | G387 T389 W400 V634 C645 V646 P654 | G387-W632 WeakPolarHBondContact O-CH2 3.25Å; T389-W632 HydrophobicContact CG2-CZ2 4.41Å; W400-W632 HydrophobicContact CB-CH2 4.07Å; W400-W632 HydrophobicContact CB-CZ3 3.97Å; W400-W632 HydrophobicContact CG-CZ3 4.32Å; W632-V634 HydrophobicContact CE3-CG2 4.05Å; W632-V634 HydrophobicContact CZ3-CG2 3.98Å; W632-C645 CarbonylContact O-C 3.54Å; W632-C645 WeakPolarHBondContact O-CA 3.48Å; W632-V646 HydrophobicContact CE3-CB 4.2Å; W632-V646 HydrophobicContact CE3-CG2 4.13Å; W632-V646 HydrophobicContact CZ3-CG2 4.43Å; W632-V646 PolarHBondContact N-O 3.14Å; W632-V646 PolarHBondContact O-N 3.02Å; W632-P654 HydrophobicContact CD2-CG 4.12Å; W632-P654 HydrophobicContact CE3-CG 3.93Å; W632-P654 HydrophobicContact CH2-CG 4.3Å; W632-P654 HydrophobicContact CZ3-CG 4.02Å |
| 633 | P | 94.7 | Very high | 80.5 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 144.7 | -169.5 | 29 | -34.9 | 0 | 0 | 0 | 113.6 | W588 A600 L620 I643 | W588-P633 HydrophobicContact CB-CG 3.93Å; W588-P633 HydrophobicContact CD2-CB 3.96Å; W588-P633 HydrophobicContact CD2-CG 3.79Å; W588-P633 HydrophobicContact CE3-CB 4.06Å; W588-P633 HydrophobicContact CE3-CG 4.01Å; W588-P633 HydrophobicContact CG-CB 4.41Å; W588-P633 HydrophobicContact CG-CG 3.79Å; W588-P633 HydrophobicContact CH2-CB 4.42Å; W588-P633 HydrophobicContact CZ2-CB 4.35Å; W588-P633 HydrophobicContact CZ3-CB 4.29Å; W588-P633 PolarHBondContact NE1-O 3.42Å; A600-P633 HydrophobicContact CB-CG 4.11Å; L620-P633 HydrophobicContact CD1-CB 4.07Å; L620-P633 HydrophobicContact CD1-CG 4.2Å; P633-I643 HydrophobicContact CB-CG2 4.5Å |
| 634 | V | 94.7 | Very high | 82.2 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | -45.2 | -180 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | W400 N401 W632 L644 V646 | W400-V634 HydrophobicContact CG-CG1 4.48Å; W400-V634 HydrophobicContact CG-CG2 4.41Å; N401-V634 WeakPolarHBondContact O-CG1 3.47Å; W632-V634 HydrophobicContact CE3-CG2 4.05Å; W632-V634 HydrophobicContact CZ3-CG2 3.98Å; V634-L644 HydrophobicContact CB-CD2 4.36Å; V634-L644 HydrophobicContact CB-CG 4.22Å; V634-L644 WeakPolarHBondContact CB-O 3.41Å; V634-L644 HydrophobicContact CG1-CD2 4.14Å; V634-L644 PolarHBondContact N-O 3.3Å; V634-V646 HydrophobicContact CG2-CG2 3.66Å |
| 635 | D | 94.8 | Very high | 84.1 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.032 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.7 | 176.6 | -171.1 | 28.4 | 0 | 0 | 0 | 110.4 | R402 R532 L644 | R402-D635 HydrophobicContact CB-CB 4.07Å; R402-D635 WeakPolarHBondContact CD-OD2 3.49Å; R402-D635 IonicContact NH1-OD2 3.22Å; R532-D635 IonicContact NH1-OD1 2.77Å; R532-D635 PolarHBondContact NH1-OD1 3.24Å; R532-D635 IonicContact NH1-OD2 3.52Å; D635-L644 HydrophobicContact CB-CB 4.35Å; D635-L644 PolarHBondContact N-O 3Å; D635-L644 PolarHBondContact O-N 2.82Å |
| 636 | L | 94.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 121.2 | 175.5 | -174.8 | 151 | 0 | 0 | 0 | 109.8 | W588 T592 C598 V606 I608 V617 E638 I643 W667 | W588-L636 HydrophobicContact CH2-CB 4.32Å; T592-L636 HydrophobicContact CG2-CB 4.5Å; T592-L636 HydrophobicContact CG2-CD2 3.77Å; C598-L636 HydrophobicContact CB-CD1 4.47Å; V606-L636 HydrophobicContact CG1-CD1 3.76Å; I608-L636 HydrophobicContact CD1-CD2 4.13Å; V617-L636 HydrophobicContact CG2-CD1 4.05Å; L636-E638 HydrophobicContact CD2-CG 4.07Å; L636-I643 HydrophobicContact CD1-CD1 4.48Å; L636-I643 HydrophobicContact CD1-CG1 4.22Å; L636-I643 HydrophobicContact CG-CG1 4.37Å; L636-W667 HydrophobicContact CD2-CZ2 3.84Å |
| 637 | Q | 90.4 | Very high | 87.6 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.2 | -179.7 | -65.1 | 176.9 | 1 | 0 | 0 | 110.7 | E593 T640 S641 K642 | E593-Q637 WeakPolarHBondContact OE1-CA 3.35Å; Q637-T640 WeakPolarHBondContact CB-OG1 3.47Å; Q637-T640 PolarHBondContact OE1-OG1 3.22Å; Q637-S641 WeakPolarHBondContact O-CA 3.2Å; Q637-S641 PolarHBondContact O-N 2.93Å; Q637-K642 PolarHBondContact N-O 3.13Å; Q637-K642 PolarHBondContact O-N 3.22Å; Q637-K642 VanDerWaalsContact O-N 3.11Å |
| 638 | E | 86.3 | Confident | 89 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -43.8 | -178.9 | -71.2 | -176.9 | -129.8 | 0 | 0 | 111.7 | T592 E593 L594 T596 I608 L636 T640 S641 W667 K691 L694 | T592-E638 WeakPolarHBondContact CB-OE1 3.46Å; T592-E638 HydrophobicContact CG2-CG 4.14Å; T592-E638 WeakPolarHBondContact CG2-OE1 3.42Å; T592-E638 PolarHBondContact OG1-OE1 2.59Å; E593-E638 PolarHBondContact OE1-N 3.1Å; L594-E638 HydrophobicContact CD1-CB 4.1Å; L594-E638 HydrophobicContact CG-CB 4.43Å; T596-E638 WeakPolarHBondContact CB-OE1 3.42Å; T596-E638 PolarHBondContact OG1-OE1 2.99Å; T596-E638 PolarHBondContact OG1-OE2 3.37Å; I608-E638 HydrophobicContact CD1-CG 3.89Å; L636-E638 HydrophobicContact CD2-CG 4.07Å; E638-T640 VanDerWaalsContact C-N 3.29Å; E638-T640 PolarHBondContact O-N 3.24Å; E638-S641 PolarHBondContact O-N 3.06Å; E638-W667 HydrophobicContact CG-CZ2 4.39Å; E638-K691 WeakPolarHBondContact O-CE 3.39Å; E638-K691 PolarHBondContact O-NZ 2.91Å; E638-L694 WeakPolarHBondContact OE2-CB 3.48Å; E638-L694 WeakPolarHBondContact OE2-CD1 3.46Å; E638-L694 WeakPolarHBondContact OE2-CD2 3.23Å |
| 639 | E | 79.5 | Confident | 89.7 | Confident | 116 Ų | 116 | 34.5 Ų | 34.5 | 54% | 0.542 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -45.1 | -176.7 | -58.6 | -169.3 | 151.1 | 0 | 0 | 110.7 | E593 K691 F695 | E593-E639 HydrophobicContact CG-CG 4.46Å; E639-K691 PolarHBondContact O-NZ 2.83Å; E639-F695 HydrophobicContact CB-CZ 4.33Å; E639-F695 HydrophobicContact CG-CE1 4.17Å; E639-F695 HydrophobicContact CG-CZ 4Å |
| 640 | T | 83.9 | Confident | 89.5 | Confident | 66 Ų | 66 | 41.2 Ų | 41.2 | 41% | 0.405 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.8 | -178.5 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | Q637 E638 | Q637-T640 WeakPolarHBondContact CB-OG1 3.47Å; Q637-T640 PolarHBondContact OE1-OG1 3.22Å; E638-T640 VanDerWaalsContact C-N 3.29Å; E638-T640 PolarHBondContact O-N 3.24Å |
| 641 | S | 87.7 | Confident | 89.2 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 50.4 | -165.3 | -83.2 | 0 | 0 | 0 | 0 | 113.5 | Q637 E638 N666 W667 K691 | Q637-S641 WeakPolarHBondContact O-CA 3.2Å; Q637-S641 PolarHBondContact O-N 2.93Å; E638-S641 PolarHBondContact O-N 3.06Å; S641-N666 WeakPolarHBondContact O-CA 3.47Å; S641-W667 VanDerWaalsContact O-CD1 3.26Å; S641-W667 PolarHBondContact O-N 2.61Å; S641-W667 VanDerWaalsContact OG-CE3 3.28Å; S641-K691 WeakPolarHBondContact OG-CE 3.44Å; S641-K691 PolarHBondContact OG-NZ 2.72Å; S641-K691 VanDerWaalsContact OG-NZ 3.15Å |
| 642 | K | 91.2 | Very high | 88.8 | Confident | 73 Ų | 73 | 41.9 Ų | 41.9 | 32% | 0.317 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148 | 178.6 | -66 | 177.7 | 177.3 | -176.4 | 0 | 111.4 | Q637 Y664 V665 N666 | Q637-K642 PolarHBondContact N-O 3.13Å; Q637-K642 PolarHBondContact O-N 3.22Å; Q637-K642 VanDerWaalsContact O-N 3.11Å; K642-Y664 HydrophobicContact CB-CD1 3.9Å; K642-Y664 HydrophobicContact CD-CD1 4.16Å; K642-Y664 HydrophobicContact CD-CG 4.26Å; K642-V665 CarbonylContact C-O 3.55Å; K642-V665 VanDerWaalsContact CA-O 3.31Å; K642-V665 WeakPolarHBondContact CA-O 3.35Å; K642-N666 WeakPolarHBondContact CE-OD1 3.43Å |
| 643 | I | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.9 | 172.2 | -47.7 | 176 | 0 | 0 | 0 | 106 | V606 V617 C618 L620 P633 L636 V665 | V606-I643 HydrophobicContact CB-CD1 4.14Å; V606-I643 HydrophobicContact CG1-CD1 4.13Å; V606-I643 HydrophobicContact CG2-CD1 4.18Å; V617-I643 HydrophobicContact CG2-CD1 4.29Å; C618-I643 HydrophobicContact CB-CD1 3.53Å; L620-I643 HydrophobicContact CD2-CD1 4.42Å; P633-I643 HydrophobicContact CB-CG2 4.5Å; L636-I643 HydrophobicContact CD1-CD1 4.48Å; L636-I643 HydrophobicContact CD1-CG1 4.22Å; L636-I643 HydrophobicContact CG-CG1 4.37Å; I643-V665 HydrophobicContact CB-CB 4.49Å; I643-V665 PolarHBondContact N-O 2.79Å; I643-V665 PolarHBondContact O-N 2.81Å |
| 644 | L | 94.9 | Very high | 88.3 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.5 | 172.9 | -178.8 | 63 | 0 | 0 | 0 | 107.8 | V634 D635 M662 Y664 | V634-L644 HydrophobicContact CB-CD2 4.36Å; V634-L644 HydrophobicContact CB-CG 4.22Å; V634-L644 WeakPolarHBondContact CB-O 3.41Å; V634-L644 HydrophobicContact CG1-CD2 4.14Å; V634-L644 PolarHBondContact N-O 3.3Å; D635-L644 HydrophobicContact CB-CB 4.35Å; D635-L644 PolarHBondContact N-O 3Å; D635-L644 PolarHBondContact O-N 2.82Å; L644-M662 HydrophobicContact CD1-CB 4.05Å; L644-M662 HydrophobicContact CD1-SD 4.34Å; L644-M662 HydrophobicContact CD2-SD 4.24Å; L644-M662 HydrophobicContact CG-SD 4.47Å; L644-Y664 HydrophobicContact CB-CD1 4.3Å; L644-Y664 HydrophobicContact CB-CE1 4.04Å; L644-Y664 HydrophobicContact CD1-CD1 4.13Å; L644-Y664 HydrophobicContact CD1-CE1 3.85Å; L644-Y664 HydrophobicContact CD1-CE2 4.26Å; L644-Y664 HydrophobicContact CD1-CG 4.48Å; L644-Y664 HydrophobicContact CG-CE1 4.45Å |
| 645 | C | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.4 | -178.6 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | L631 W632 M662 V663 V665 | L631-C645 HydrophobicContact CB-CB 4.21Å; L631-C645 HydrophobicContact CD2-CB 4.24Å; W632-C645 CarbonylContact O-C 3.54Å; W632-C645 WeakPolarHBondContact O-CA 3.48Å; C645-M662 CarbonylContact O-C 3.55Å; C645-M662 WeakPolarHBondContact O-CA 3.48Å; C645-V663 PolarHBondContact N-O 3.26Å; C645-V663 PolarHBondContact O-N 3.06Å; C645-V665 HydrophobicContact CB-CG2 4.29Å |
| 646 | V | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.2 | 166.1 | 179.5 | 0 | 0 | 0 | 0 | 109 | W400 W632 V634 C648 P654 P660 M662 | W400-V646 HydrophobicContact CD2-CG2 4.1Å; W400-V646 HydrophobicContact CE3-CG2 4.2Å; W400-V646 HydrophobicContact CH2-CG1 4.4Å; W400-V646 HydrophobicContact CH2-CG2 3.94Å; W400-V646 HydrophobicContact CZ2-CG2 3.81Å; W400-V646 HydrophobicContact CZ3-CG1 4.46Å; W400-V646 HydrophobicContact CZ3-CG2 4.11Å; W632-V646 HydrophobicContact CE3-CB 4.2Å; W632-V646 HydrophobicContact CE3-CG2 4.13Å; W632-V646 HydrophobicContact CZ3-CG2 4.43Å; W632-V646 PolarHBondContact N-O 3.14Å; W632-V646 PolarHBondContact O-N 3.02Å; V634-V646 HydrophobicContact CG2-CG2 3.66Å; V646-C648 PolarHBondContact O-N 2.89Å; V646-P654 HydrophobicContact CG1-CB 3.89Å; V646-P660 HydrophobicContact CG1-CB 3.54Å; V646-P660 HydrophobicContact CG1-CG 3.43Å; V646-P660 VanDerWaalsContact CG1-CG 3.43Å; V646-M662 HydrophobicContact CG2-CG 4.22Å |
| 647 | R | 90.3 | Very high | 86.9 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 38% | 0.381 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 105.8 | 177.7 | -163.8 | 178.4 | -165.4 | 130.8 | 3.3 | 109.9 | E629 L631 A661 V663 | E629-R647 IonicContact OE2-CZ 2.78Å; E629-R647 IonicContact OE2-NE 2.74Å; E629-R647 PolarHBondContact OE2-NE 3.02Å; E629-R647 IonicContact OE2-NH2 3.51Å; E629-R647 PolarHBondContact OE2-NH2 3.1Å; L631-R647 HydrophobicContact CD2-CB 4.34Å; L631-R647 HydrophobicContact CD2-CG 4.29Å; R647-A661 PolarHBondContact N-O 2.91Å; R647-V663 HydrophobicContact CB-CG2 4.19Å |
| 648 | C | 87.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135 | -176.8 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | E629 Y630 V646 S651 P654 | E629-C648 CarbonylContact C-O 3.52Å; E629-C648 WeakPolarHBondContact CA-O 3.42Å; Y630-C648 PolarHBondContact N-O 2.79Å; Y630-C648 PolarHBondContact O-N 3.16Å; V646-C648 PolarHBondContact O-N 2.89Å; C648-S651 WeakPolarHBondContact CB-O 3.45Å; C648-P654 VanDerWaalsContact SG-N 3.4Å |
| 649 | K | 81.8 | Confident | 86.5 | Confident | 138 Ų | 138 | 59.1 Ų | 59.1 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.4 | 177.6 | -58.1 | -164.2 | -173.7 | -138.5 | 0 | 110 | Q628 E629 S651 | Q628-K649 CarbonylContact O-C 3.52Å; E629-K649 HydrophobicContact CG-CG 4.36Å; E629-K649 WeakPolarHBondContact OE1-CE 3.14Å; E629-K649 IonicContact OE1-NZ 3.57Å; E629-K649 PolarHBondContact OE1-NZ 3.39Å; K649-S651 PolarHBondContact O-N 3.32Å; K649-S651 VanDerWaalsContact O-N 3.16Å |
| 650 | R | 75.9 | Confident | 86.9 | Confident | 189 Ų | 189 | 54.4 Ų | 54.4 | 71% | 0.713 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 63.4 | 6.3 | -179.5 | -46.7 | -176.6 | 179.1 | 174.9 | -0.1 | 115.8 | Q628 | Q628-R650 HydrophobicContact CB-CG 4.49Å; Q628-R650 PolarHBondContact O-N 2.73Å |
| 651 | S | 80.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -150 | 145.5 | -177.7 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | Y630 C648 K649 V653 | Y630-S651 VanDerWaalsContact CD2-C 3.49Å; Y630-S651 WeakPolarHBondContact CD2-O 3.12Å; C648-S651 WeakPolarHBondContact CB-O 3.45Å; K649-S651 PolarHBondContact O-N 3.32Å; K649-S651 VanDerWaalsContact O-N 3.16Å; S651-V653 WeakPolarHBondContact CB-O 3.39Å; S651-V653 PolarHBondContact O-N 3.28Å; S651-V653 WeakPolarHBondContact OG-CG2 3.06Å; S651-V653 PolarHBondContact OG-N 3.42Å; S651-V653 VanDerWaalsContact OG-N 3.13Å; S651-V653 PolarHBondContact OG-O 2.97Å |
| 652 | K | 82.3 | Confident | 87.2 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -72.8 | -16.8 | 172.6 | -58.9 | -175.6 | -158.3 | 157.7 | 0 | 113.1 | E43 D44 Y630 | E43-K652 PolarHBondContact O-NZ 2.87Å; D44-K652 VanDerWaalsContact OD1-CD 3.31Å; D44-K652 WeakPolarHBondContact OD1-CD 3.39Å; D44-K652 WeakPolarHBondContact OD1-CE 3.18Å; D44-K652 IonicContact OD1-NZ 2.73Å; D44-K652 PolarHBondContact OD1-NZ 3.01Å; D44-K652 IonicContact OD2-NZ 3.52Å; D44-K652 PolarHBondContact OD2-NZ 2.84Å; Y630-K652 HydrophobicContact CD1-CG 3.9Å; Y630-K652 HydrophobicContact CD2-CG 4.48Å; Y630-K652 HydrophobicContact CE1-CG 3.9Å; Y630-K652 HydrophobicContact CE2-CG 4.48Å; Y630-K652 HydrophobicContact CG-CB 4.5Å; Y630-K652 HydrophobicContact CG-CG 4.18Å |
| 653 | V | 86.8 | Confident | 87.3 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -117.9 | 148.9 | -179.6 | -65 | 0 | 0 | 0 | 0 | 111.5 | T389 S651 | T389-V653 HydrophobicContact CG2-CB 4.11Å; S651-V653 WeakPolarHBondContact CB-O 3.39Å; S651-V653 PolarHBondContact O-N 3.28Å; S651-V653 WeakPolarHBondContact OG-CG2 3.06Å; S651-V653 PolarHBondContact OG-N 3.42Å; S651-V653 VanDerWaalsContact OG-N 3.13Å; S651-V653 PolarHBondContact OG-O 2.97Å |
| 654 | P | 89.8 | Confident | 87.3 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | trans | -69.9 | 141.2 | -179 | 25.5 | -32.9 | 0 | 0 | 0 | 113 | T389 Y397 W632 V646 C648 P660 | T389-P654 HydrophobicContact CG2-CG 3.85Å; Y397-P654 HydrophobicContact CD2-CG 4.25Å; Y397-P654 HydrophobicContact CE2-CB 4.26Å; Y397-P654 HydrophobicContact CE2-CG 4.36Å; W632-P654 HydrophobicContact CD2-CG 4.12Å; W632-P654 HydrophobicContact CE3-CG 3.93Å; W632-P654 HydrophobicContact CH2-CG 4.3Å; W632-P654 HydrophobicContact CZ3-CG 4.02Å; V646-P654 HydrophobicContact CG1-CB 3.89Å; C648-P654 VanDerWaalsContact SG-N 3.4Å; P654-P660 HydrophobicContact CB-CG 3.81Å | ||
| 655 | T | 86.8 | Confident | 87.1 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | trans | -79.7 | 145 | 165.7 | 49.7 | 0 | 0 | 0 | 0 | 110 | P660 | T655-P660 WeakPolarHBondContact O-CD 3.44Š| ||
| 656 | V | 85.5 | Confident | 86.9 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -72.1 | -39.9 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | E395 Y397 R407 | E395-V656 HydrophobicContact CB-CB 4.37Å; E395-V656 HydrophobicContact CB-CG2 4.14Å; E395-V656 HydrophobicContact CG-CB 4.12Å; E395-V656 HydrophobicContact CG-CG2 4.08Å; Y397-V656 HydrophobicContact CD2-CG2 3.95Å; Y397-V656 HydrophobicContact CE2-CB 4.19Å; Y397-V656 HydrophobicContact CE2-CG2 3.81Å; R407-V656 HydrophobicContact CG-CG1 4.31Å |
| 657 | T | 82.8 | Confident | 86.8 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 56% | 0.564 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -119.9 | 131.4 | 175.8 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | E395 | E395-T657 PolarHBondContact OE1-N 3.03Å; E395-T657 PolarHBondContact OE1-OG1 3.42Å |
| 658 | P | 83.7 | Confident | 86.6 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 71% | 0.708 | 31% | 0.31 | S | S | * | . | S | Bend | cis | -68 | 156.2 | -13.9 | 33 | -36.2 | 0 | 0 | 0 | 112 | P660 | P658-P660 WeakPolarHBondContact O-CD 3.23Š|
| 659 | K | 85 | Confident | 86.6 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 118.2 | 178.9 | -172 | 171.6 | -175.1 | 175.2 | 0 | 110.3 | E421 M948 | E421-K659 IonicContact OE1-NZ 3.62Å; E421-K659 PolarHBondContact OE1-NZ 3.08Å; E421-K659 IonicContact OE2-NZ 3.19Å; E421-K659 PolarHBondContact OE2-NZ 2.83Å; K659-M948 HydrophobicContact CD-CE 4.36Å |
| 660 | P | 87.5 | Confident | 86.7 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 156.5 | -173.1 | 31.1 | -34.9 | 0 | 0 | 0 | 112.1 | W400 V646 P654 T655 P658 | W400-P660 HydrophobicContact CH2-CG 3.75Å; W400-P660 HydrophobicContact CZ3-CG 3.69Å; V646-P660 HydrophobicContact CG1-CB 3.54Å; V646-P660 HydrophobicContact CG1-CG 3.43Å; V646-P660 VanDerWaalsContact CG1-CG 3.43Å; P654-P660 HydrophobicContact CB-CG 3.81Å; T655-P660 WeakPolarHBondContact O-CD 3.44Å; P658-P660 WeakPolarHBondContact O-CD 3.23Å |
| 661 | A | 87.6 | Confident | 87 | Confident | 43 Ų | 43 | 52 Ų | 52 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 139.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R647 | R647-A661 PolarHBondContact N-O 2.91Š|
| 662 | M | 90.5 | Very high | 86.8 | Confident | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 140.6 | 171.7 | -67.7 | -169.2 | -70.1 | 0 | 0 | 110.9 | W400 L644 C645 V646 M948 | W400-M662 HydrophobicContact CZ2-CG 3.89Å; W400-M662 HydrophobicContact CZ2-SD 3.92Å; L644-M662 HydrophobicContact CD1-CB 4.05Å; L644-M662 HydrophobicContact CD1-SD 4.34Å; L644-M662 HydrophobicContact CD2-SD 4.24Å; L644-M662 HydrophobicContact CG-SD 4.47Å; C645-M662 CarbonylContact O-C 3.55Å; C645-M662 WeakPolarHBondContact O-CA 3.48Å; V646-M662 HydrophobicContact CG2-CG 4.22Å; M662-M948 HydrophobicContact CE-CE 3.84Å; M662-M948 HydrophobicContact CE-SD 4.47Å |
| 663 | V | 93.2 | Very high | 86.4 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.6 | -177.3 | -178 | 0 | 0 | 0 | 0 | 109.1 | C645 R647 | C645-V663 PolarHBondContact N-O 3.26Å; C645-V663 PolarHBondContact O-N 3.06Å; R647-V663 HydrophobicContact CB-CG2 4.19Å |
| 664 | Y | 93 | Very high | 85.5 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.3 | 171.5 | -77.1 | -74.1 | 0 | 0 | 0 | 110.7 | K642 L644 V949 | K642-Y664 HydrophobicContact CB-CD1 3.9Å; K642-Y664 HydrophobicContact CD-CD1 4.16Å; K642-Y664 HydrophobicContact CD-CG 4.26Å; L644-Y664 HydrophobicContact CB-CD1 4.3Å; L644-Y664 HydrophobicContact CB-CE1 4.04Å; L644-Y664 HydrophobicContact CD1-CD1 4.13Å; L644-Y664 HydrophobicContact CD1-CE1 3.85Å; L644-Y664 HydrophobicContact CD1-CE2 4.26Å; L644-Y664 HydrophobicContact CD1-CG 4.48Å; L644-Y664 HydrophobicContact CG-CE1 4.45Å; Y664-V949 HydrophobicContact CD2-CG1 4.16Å; Y664-V949 HydrophobicContact CE2-CG2 4.19Å |
| 665 | V | 91.9 | Very high | 84.6 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 16% | 0.164 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.2 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | L620 L631 K642 I643 C645 | L620-V665 HydrophobicContact CD2-CB 4.43Å; L620-V665 HydrophobicContact CD2-CG1 4.29Å; L620-V665 HydrophobicContact CD2-CG2 4.28Å; L631-V665 HydrophobicContact CD1-CG2 3.92Å; K642-V665 CarbonylContact C-O 3.55Å; K642-V665 VanDerWaalsContact CA-O 3.31Å; K642-V665 WeakPolarHBondContact CA-O 3.35Å; I643-V665 HydrophobicContact CB-CB 4.49Å; I643-V665 PolarHBondContact N-O 2.79Å; I643-V665 PolarHBondContact O-N 2.81Å; C645-V665 HydrophobicContact CB-CG2 4.29Å |
| 666 | N | 90.1 | Very high | 83.6 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 151 | 172.7 | -57 | -57.5 | 0 | 0 | 0 | 109.7 | S641 K642 K668 | S641-N666 WeakPolarHBondContact O-CA 3.47Å; K642-N666 WeakPolarHBondContact CE-OD1 3.43Å; N666-K668 PolarHBondContact O-N 2.97Å |
| 667 | W | 89.5 | Confident | 82.6 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 6% | 0.064 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 137 | 172 | -63.8 | 6.1 | 0 | 0 | 0 | 110.4 | I608 V617 L636 E638 S641 V687 I690 L694 | I608-W667 HydrophobicContact CD1-CH2 4.38Å; V617-W667 HydrophobicContact CB-CD2 4.14Å; V617-W667 HydrophobicContact CB-CE3 4.4Å; V617-W667 HydrophobicContact CB-CG 4.23Å; V617-W667 HydrophobicContact CG1-CD2 4.26Å; V617-W667 HydrophobicContact CG1-CE3 4.11Å; V617-W667 HydrophobicContact CG1-CZ3 4.33Å; L636-W667 HydrophobicContact CD2-CZ2 3.84Å; E638-W667 HydrophobicContact CG-CZ2 4.39Å; S641-W667 VanDerWaalsContact O-CD1 3.26Å; S641-W667 PolarHBondContact O-N 2.61Å; S641-W667 VanDerWaalsContact OG-CE3 3.28Å; W667-V687 HydrophobicContact CE3-CG1 4.28Å; W667-I690 HydrophobicContact CZ3-CG2 4.22Å; W667-L694 HydrophobicContact CH2-CD1 4.26Å |
| 668 | K | 87.1 | Confident | 81.8 | Confident | 119 Ų | 119 | 73.2 Ų | 73.2 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | trans | -135.8 | 89.3 | 179.1 | -177.3 | -171.7 | 172.4 | -166.8 | 0 | 107.3 | V617 C618 E622 N666 E683 | V617-K668 CarbonylContact O-C 3.59Å; V617-K668 VanDerWaalsContact O-C 3.26Å; V617-K668 PolarHBondContact O-N 3.15Å; C618-K668 WeakPolarHBondContact CA-O 3.44Å; E622-K668 IonicContact OE1-NZ 2.78Å; E622-K668 PolarHBondContact OE1-NZ 2.97Å; N666-K668 PolarHBondContact O-N 2.97Å; K668-E683 WeakPolarHBondContact CA-OE1 3.23Å | ||
| 669 | I | 87.1 | Confident | 80.8 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | trans | -75.8 | 132.9 | -173.5 | -59.1 | -172.3 | 0 | 0 | 0 | 108.8 | T671 E683 L686 V687 I690 | I669-T671 VanDerWaalsContact C-N 3.33Å; I669-T671 HydrophobicContact CB-CG2 4.39Å; I669-T671 HydrophobicContact CG2-CG2 4.16Å; I669-T671 PolarHBondContact O-N 3.21Å; I669-E683 HydrophobicContact CB-CG 4.35Å; I669-E683 PolarHBondContact N-OE1 3.38Å; I669-L686 HydrophobicContact CD1-CD2 4.27Å; I669-L686 HydrophobicContact CD1-CG 4.2Å; I669-L686 HydrophobicContact CG2-CD2 3.9Å; I669-V687 HydrophobicContact CD1-CG2 3.52Å; I669-V687 HydrophobicContact CG1-CG2 3.99Å; I669-I690 HydrophobicContact CD1-CD1 3.65Å | ||
| 670 | P | 84.6 | Confident | 79.9 | Confident | 93 Ų | 93 | 71.5 Ų | 71.5 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | trans | -68.8 | 88.4 | 175.8 | 28.6 | -35 | 0 | 0 | 0 | 111 | P616 | P616-P670 HydrophobicContact CB-CG 4.12Å; P616-P670 HydrophobicContact CG-CG 3.89Å | ||
| 671 | T | 81.2 | Confident | 79 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 153.1 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | I669 E683 L686 | I669-T671 VanDerWaalsContact C-N 3.33Å; I669-T671 HydrophobicContact CB-CG2 4.39Å; I669-T671 HydrophobicContact CG2-CG2 4.16Å; I669-T671 PolarHBondContact O-N 3.21Å; T671-E683 HydrophobicContact CG2-CB 4.09Å; T671-L686 HydrophobicContact CG2-CD2 4.29Å |
| 672 | C | 77.3 | Confident | 78.2 | Confident | 117 Ų | 117 | 70.3 Ų | 70.3 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 144.2 | 171.1 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | V674 | C672-V674 PolarHBondContact O-N 3.39Š|
| 673 | D | 72.5 | Confident | 77.5 | Confident | 133 Ų | 133 | 71.4 Ų | 71.4 | 71% | 0.711 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 122.8 | 173.3 | -78 | -33.4 | 0 | 0 | 0 | 111.5 | A679 | D673-A679 WeakPolarHBondContact OD1-CB 3.41Š|
| 674 | V | 69.9 | Low | 76.6 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 125.6 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | C672 H676 M677 | C672-V674 PolarHBondContact O-N 3.39Å; V674-H676 PolarHBondContact O-N 2.85Å; V674-M677 HydrophobicContact CB-CB 4.31Å; V674-M677 HydrophobicContact CB-CE 4.29Å; V674-M677 HydrophobicContact CG2-CE 4.36Å; V674-M677 PolarHBondContact O-N 2.78Å; V674-M677 VanDerWaalsContact O-O 3.07Å |
| 675 | S | 69.1 | Low | 75.6 | Confident | 106 Ų | 106 | 72.3 Ų | 72.3 | 74% | 0.741 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -31.1 | -170.9 | 51.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 676 | H | 67 | Low | 75.1 | Confident | 165 Ų | 165 | 74.4 Ų | 74.4 | 76% | 0.764 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 1.3 | -177.8 | -55.6 | -69.8 | 0 | 0 | 0 | 113.7 | V674 | V674-H676 PolarHBondContact O-N 2.85Š|
| 677 | M | 65 | Low | 74.7 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -116.2 | 159 | 175.9 | -92.3 | -155.5 | -83.3 | 0 | 0 | 111.8 | V674 F735 | V674-M677 HydrophobicContact CB-CB 4.31Å; V674-M677 HydrophobicContact CB-CE 4.29Å; V674-M677 HydrophobicContact CG2-CE 4.36Å; V674-M677 PolarHBondContact O-N 2.78Å; V674-M677 VanDerWaalsContact O-O 3.07Å; M677-F735 HydrophobicContact CE-CE1 4.49Å; M677-F735 HydrophobicContact CE-CE2 3.83Å; M677-F735 HydrophobicContact CE-CZ 3.57Å; M677-F735 HydrophobicContact CG-CE1 3.97Å; M677-F735 HydrophobicContact CG-CZ 3.93Å; M677-F735 HydrophobicContact SD-CE1 3.95Å; M677-F735 HydrophobicContact SD-CE2 4.22Å; M677-F735 HydrophobicContact SD-CZ 3.35Å; M677-F735 WeakPolarHBondContact SD-CZ 3.32Å |
| 678 | K | 65.4 | Low | 74.1 | Confident | 143 Ų | 143 | 69.9 Ų | 69.9 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | trans | -82.2 | 135.2 | 160.1 | -65.8 | 176.5 | 178.3 | 175 | 0 | 108.2 | N680 S681 | K678-N680 VanDerWaalsContact C-N 3.33Å; K678-N680 PolarHBondContact O-N 3.27Å; K678-N680 VanDerWaalsContact O-N 3.11Å; K678-S681 WeakPolarHBondContact O-CB 3.49Å; K678-S681 PolarHBondContact O-N 2.96Å; K678-S681 PolarHBondContact O-OG 2.98Å | ||
| 679 | A | 61.5 | Low | 73.8 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 33% | 0.331 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -32.7 | -60.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D673 S681 G682 | D673-A679 WeakPolarHBondContact OD1-CB 3.41Å; A679-S681 PolarHBondContact O-N 2.89Å; A679-G682 PolarHBondContact O-N 3.08Å |
| 680 | N | 67.4 | Low | 73.6 | Confident | 109 Ų | 109 | 66.4 Ų | 66.4 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60 | -17.6 | -176 | -47.6 | 50.7 | 0 | 0 | 0 | 114.6 | K678 L684 | K678-N680 VanDerWaalsContact C-N 3.33Å; K678-N680 PolarHBondContact O-N 3.27Å; K678-N680 VanDerWaalsContact O-N 3.11Å; N680-L684 VanDerWaalsContact O-CD1 3.31Å; N680-L684 WeakPolarHBondContact O-CD1 3.37Å; N680-L684 VanDerWaalsContact O-CG 3.23Å; N680-L684 WeakPolarHBondContact O-CG 3.13Å; N680-L684 PolarHBondContact O-N 2.87Å |
| 681 | S | 67.6 | Low | 73.4 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.6 | -42 | -175.4 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | K678 A679 A685 T723 M726 | K678-S681 WeakPolarHBondContact O-CB 3.49Å; K678-S681 PolarHBondContact O-N 2.96Å; K678-S681 PolarHBondContact O-OG 2.98Å; A679-S681 PolarHBondContact O-N 2.89Å; S681-A685 PolarHBondContact O-N 3.25Å; S681-T723 VanDerWaalsContact CB-CG2 3.41Å; S681-M726 WeakPolarHBondContact OG-CE 3.42Å |
| 682 | G | 70.5 | Confident | 73 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A679 L684 A685 L686 | A679-G682 PolarHBondContact O-N 3.08Å; G682-L684 PolarHBondContact O-N 2.66Å; G682-A685 PolarHBondContact O-N 3.44Å; G682-L686 PolarHBondContact O-N 3.38Å |
| 683 | E | 76.5 | Confident | 73.1 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.2 | -51.6 | 174.9 | -177.8 | -177.7 | -159.6 | 0 | 0 | 112.5 | K668 I669 T671 A685 L686 V687 | K668-E683 WeakPolarHBondContact CA-OE1 3.23Å; I669-E683 HydrophobicContact CB-CG 4.35Å; I669-E683 PolarHBondContact N-OE1 3.38Å; T671-E683 HydrophobicContact CG2-CB 4.09Å; E683-A685 VanDerWaalsContact C-N 3.29Å; E683-A685 PolarHBondContact O-N 3.1Å; E683-L686 PolarHBondContact O-N 2.82Å; E683-L686 VanDerWaalsContact O-N 3.14Å; E683-V687 HydrophobicContact CG-CG2 4.39Å; E683-V687 WeakPolarHBondContact O-CG2 3.42Å; E683-V687 PolarHBondContact O-N 2.99Å |
| 684 | L | 74.3 | Confident | 73.5 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 40% | 0.398 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | -179.3 | -75.2 | 165.3 | 0 | 0 | 0 | 112.9 | N680 G682 T688 | N680-L684 VanDerWaalsContact O-CD1 3.31Å; N680-L684 WeakPolarHBondContact O-CD1 3.37Å; N680-L684 VanDerWaalsContact O-CG 3.23Å; N680-L684 WeakPolarHBondContact O-CG 3.13Å; N680-L684 PolarHBondContact O-N 2.87Å; G682-L684 PolarHBondContact O-N 2.66Å; L684-T688 WeakPolarHBondContact O-CB 3.39Å; L684-T688 PolarHBondContact O-N 2.79Å; L684-T688 VanDerWaalsContact O-N 3.09Å; L684-T688 PolarHBondContact O-OG1 2.78Å |
| 685 | A | 73.3 | Confident | 73.7 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S681 G682 E683 T688 N689 L720 L742 | S681-A685 PolarHBondContact O-N 3.25Å; G682-A685 PolarHBondContact O-N 3.44Å; E683-A685 VanDerWaalsContact C-N 3.29Å; E683-A685 PolarHBondContact O-N 3.1Å; A685-T688 PolarHBondContact O-N 2.72Å; A685-N689 PolarHBondContact O-N 2.95Å; A685-L720 HydrophobicContact CB-CD1 4.26Å; A685-L742 HydrophobicContact CB-CD1 3.77Å |
| 686 | L | 79.8 | Confident | 73.8 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 177.1 | -179.8 | 58 | 0 | 0 | 0 | 112.3 | I669 T671 G682 E683 T688 N689 I690 | I669-L686 HydrophobicContact CD1-CD2 4.27Å; I669-L686 HydrophobicContact CD1-CG 4.2Å; I669-L686 HydrophobicContact CG2-CD2 3.9Å; T671-L686 HydrophobicContact CG2-CD2 4.29Å; G682-L686 PolarHBondContact O-N 3.38Å; E683-L686 PolarHBondContact O-N 2.82Å; E683-L686 VanDerWaalsContact O-N 3.14Å; L686-T688 PolarHBondContact O-N 3.41Å; L686-N689 PolarHBondContact O-N 2.99Å; L686-I690 HydrophobicContact CD1-CD1 3.96Å; L686-I690 HydrophobicContact CD1-CG1 4.32Å; L686-I690 HydrophobicContact CG-CD1 3.85Å; L686-I690 WeakPolarHBondContact O-CG1 3.24Å; L686-I690 PolarHBondContact O-N 3.45Å |
| 687 | V | 82 | Confident | 74 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -42 | 174 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | W667 I669 E683 I690 K691 | W667-V687 HydrophobicContact CE3-CG1 4.28Å; I669-V687 HydrophobicContact CD1-CG2 3.52Å; I669-V687 HydrophobicContact CG1-CG2 3.99Å; E683-V687 HydrophobicContact CG-CG2 4.39Å; E683-V687 WeakPolarHBondContact O-CG2 3.42Å; E683-V687 PolarHBondContact O-N 2.99Å; V687-I690 PolarHBondContact O-N 2.76Å; V687-K691 WeakPolarHBondContact O-CG 3.42Å; V687-K691 PolarHBondContact O-N 3.06Å |
| 688 | T | 76.8 | Confident | 74.2 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 179 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | L684 A685 L686 G692 I712 | L684-T688 WeakPolarHBondContact O-CB 3.39Å; L684-T688 PolarHBondContact O-N 2.79Å; L684-T688 VanDerWaalsContact O-N 3.09Å; L684-T688 PolarHBondContact O-OG1 2.78Å; A685-T688 PolarHBondContact O-N 2.72Å; L686-T688 PolarHBondContact O-N 3.41Å; T688-G692 PolarHBondContact O-N 3.27Å; T688-I712 HydrophobicContact CG2-CB 4.35Å; T688-I712 HydrophobicContact CG2-CD1 3.65Å; T688-I712 HydrophobicContact CG2-CG1 3.79Å; T688-I712 HydrophobicContact CG2-CG2 3.62Å |
| 689 | N | 81 | Confident | 74.2 | Confident | 54 Ų | 54 | 44.2 Ų | 44.2 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.1 | -48.4 | 175.5 | -171.4 | -4.5 | 0 | 0 | 0 | 111.3 | A685 L686 K691 G692 Q693 L742 | A685-N689 PolarHBondContact O-N 2.95Å; L686-N689 PolarHBondContact O-N 2.99Å; N689-K691 PolarHBondContact O-N 2.8Å; N689-G692 PolarHBondContact O-N 2.91Å; N689-G692 VanDerWaalsContact O-N 3.07Å; N689-Q693 WeakPolarHBondContact O-CG 3.4Å; N689-Q693 PolarHBondContact O-N 2.81Å; N689-Q693 PolarHBondContact OD1-NE2 2.93Å; N689-L742 HydrophobicContact CB-CD2 4.24Å |
| 690 | I | 83.4 | Confident | 74.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.7 | -49.3 | 177.6 | -69.6 | 162 | 0 | 0 | 0 | 110.8 | V610 I615 W667 I669 L686 V687 G692 Q693 L694 | V610-I690 HydrophobicContact CG2-CG2 4.21Å; I615-I690 HydrophobicContact CD1-CD1 4.1Å; I615-I690 HydrophobicContact CD1-CG1 3.96Å; I615-I690 HydrophobicContact CG2-CD1 3.92Å; W667-I690 HydrophobicContact CZ3-CG2 4.22Å; I669-I690 HydrophobicContact CD1-CD1 3.65Å; L686-I690 HydrophobicContact CD1-CD1 3.96Å; L686-I690 HydrophobicContact CD1-CG1 4.32Å; L686-I690 HydrophobicContact CG-CD1 3.85Å; L686-I690 WeakPolarHBondContact O-CG1 3.24Å; L686-I690 PolarHBondContact O-N 3.45Å; V687-I690 PolarHBondContact O-N 2.76Å; I690-G692 PolarHBondContact O-N 2.9Å; I690-Q693 PolarHBondContact O-N 3.43Å; I690-L694 HydrophobicContact CG2-CD1 3.62Å; I690-L694 HydrophobicContact CG2-CG 4.37Å; I690-L694 WeakPolarHBondContact O-CG 3.31Å; I690-L694 PolarHBondContact O-N 3.35Å |
| 691 | K | 79.6 | Confident | 74 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -47.1 | 173.7 | -76.7 | -162.1 | -179.4 | -163.6 | 0 | 112.6 | E638 E639 S641 V687 N689 Q693 L694 F695 | E638-K691 WeakPolarHBondContact O-CE 3.39Å; E638-K691 PolarHBondContact O-NZ 2.91Å; E639-K691 PolarHBondContact O-NZ 2.83Å; S641-K691 WeakPolarHBondContact OG-CE 3.44Å; S641-K691 PolarHBondContact OG-NZ 2.72Å; S641-K691 VanDerWaalsContact OG-NZ 3.15Å; V687-K691 WeakPolarHBondContact O-CG 3.42Å; V687-K691 PolarHBondContact O-N 3.06Å; N689-K691 PolarHBondContact O-N 2.8Å; K691-Q693 PolarHBondContact O-N 2.83Å; K691-L694 PolarHBondContact O-N 3.08Å; K691-F695 HydrophobicContact CB-CD2 4.28Å; K691-F695 HydrophobicContact CB-CE2 4.38Å; K691-F695 HydrophobicContact CD-CE2 4.41Å; K691-F695 VanDerWaalsContact O-CD2 3.27Å; K691-F695 WeakPolarHBondContact O-CD2 3.27Å; K691-F695 PolarHBondContact O-N 3.02Å |
| 692 | G | 73.6 | Confident | 73.5 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T688 N689 I690 R696 | T688-G692 PolarHBondContact O-N 3.27Å; N689-G692 PolarHBondContact O-N 2.91Å; N689-G692 VanDerWaalsContact O-N 3.07Å; I690-G692 PolarHBondContact O-N 2.9Å; G692-R696 WeakPolarHBondContact O-CB 3.25Å; G692-R696 VanDerWaalsContact O-CD 3.29Å; G692-R696 WeakPolarHBondContact O-CD 3.36Å; G692-R696 WeakPolarHBondContact O-CG 3.39Å; G692-R696 PolarHBondContact O-N 3.43Å |
| 693 | Q | 78.9 | Confident | 72.6 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.1 | -49.8 | 173.9 | -64.1 | 177.3 | 25.7 | 0 | 0 | 111.6 | V610 N611 N689 I690 K691 F695 R696 H697 | V610-Q693 HydrophobicContact CG1-CB 4.23Å; N611-Q693 PolarHBondContact ND2-OE1 3.08Å; N689-Q693 WeakPolarHBondContact O-CG 3.4Å; N689-Q693 PolarHBondContact O-N 2.81Å; N689-Q693 PolarHBondContact OD1-NE2 2.93Å; I690-Q693 PolarHBondContact O-N 3.43Å; K691-Q693 PolarHBondContact O-N 2.83Å; Q693-F695 PolarHBondContact O-N 3.17Å; Q693-R696 WeakPolarHBondContact O-CB 3.19Å; Q693-R696 PolarHBondContact O-N 2.91Å; Q693-R696 VanDerWaalsContact O-N 3.13Å; Q693-H697 PolarHBondContact O-CD2 3.02Å; Q693-H697 VanDerWaalsContact O-CD2 3.25Å; Q693-H697 PolarHBondContact O-N 2.81Å |
| 694 | L | 80.5 | Confident | 70.8 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.9 | -50.4 | 179.6 | -72.3 | 165.4 | 0 | 0 | 0 | 112.5 | T596 I608 V610 E638 W667 I690 K691 R696 H697 A698 | T596-L694 HydrophobicContact CG2-CD2 3.75Å; I608-L694 HydrophobicContact CD1-CD1 3.95Å; I608-L694 HydrophobicContact CD1-CD2 4.28Å; V610-L694 HydrophobicContact CG1-CD2 4.34Å; V610-L694 HydrophobicContact CG1-CG 4.42Å; V610-L694 HydrophobicContact CG2-CD2 4.05Å; V610-L694 HydrophobicContact CG2-CG 4.39Å; E638-L694 WeakPolarHBondContact OE2-CB 3.48Å; E638-L694 WeakPolarHBondContact OE2-CD1 3.46Å; E638-L694 WeakPolarHBondContact OE2-CD2 3.23Å; W667-L694 HydrophobicContact CH2-CD1 4.26Å; I690-L694 HydrophobicContact CG2-CD1 3.62Å; I690-L694 HydrophobicContact CG2-CG 4.37Å; I690-L694 WeakPolarHBondContact O-CG 3.31Å; I690-L694 PolarHBondContact O-N 3.35Å; K691-L694 PolarHBondContact O-N 3.08Å; L694-R696 VanDerWaalsContact C-N 3.32Å; L694-R696 PolarHBondContact O-N 3.06Å; L694-H697 PolarHBondContact O-N 3.09Å; L694-H697 VanDerWaalsContact O-N 3.15Å; L694-A698 PolarHBondContact O-N 3.14Å |
| 695 | F | 74.2 | Confident | 69.1 | Low | 55 Ų | 55 | 62 Ų | 62 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 176.7 | -80.6 | -67.2 | 0 | 0 | 0 | 113.1 | L594 E639 K691 Q693 A698 N699 A710 | L594-F695 HydrophobicContact CD1-CD1 3.83Å; L594-F695 HydrophobicContact CD1-CE1 3.79Å; L594-F695 HydrophobicContact CD1-CG 4.44Å; L594-F695 HydrophobicContact CD1-CZ 4.37Å; E639-F695 HydrophobicContact CB-CZ 4.33Å; E639-F695 HydrophobicContact CG-CE1 4.17Å; E639-F695 HydrophobicContact CG-CZ 4Å; K691-F695 HydrophobicContact CB-CD2 4.28Å; K691-F695 HydrophobicContact CB-CE2 4.38Å; K691-F695 HydrophobicContact CD-CE2 4.41Å; K691-F695 VanDerWaalsContact O-CD2 3.27Å; K691-F695 WeakPolarHBondContact O-CD2 3.27Å; K691-F695 PolarHBondContact O-N 3.02Å; Q693-F695 PolarHBondContact O-N 3.17Å; F695-A698 PolarHBondContact O-N 2.93Å; F695-N699 WeakPolarHBondContact O-CB 3.48Å; F695-N699 VanDerWaalsContact O-CG 3.29Å; F695-N699 PolarHBondContact O-N 2.81Å; F695-A710 HydrophobicContact CB-CB 4.38Å |
| 696 | R | 71.2 | Confident | 67.2 | Low | 134 Ų | 134 | 64.5 Ų | 64.5 | 51% | 0.506 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174 | -79.6 | 169.2 | 163.3 | -174.6 | -11.1 | 111.4 | G692 Q693 L694 L700 A710 T744 | G692-R696 WeakPolarHBondContact O-CB 3.25Å; G692-R696 VanDerWaalsContact O-CD 3.29Å; G692-R696 WeakPolarHBondContact O-CD 3.36Å; G692-R696 WeakPolarHBondContact O-CG 3.39Å; G692-R696 PolarHBondContact O-N 3.43Å; Q693-R696 WeakPolarHBondContact O-CB 3.19Å; Q693-R696 PolarHBondContact O-N 2.91Å; Q693-R696 VanDerWaalsContact O-N 3.13Å; L694-R696 VanDerWaalsContact C-N 3.32Å; L694-R696 PolarHBondContact O-N 3.06Å; R696-L700 WeakPolarHBondContact O-CB 3.35Å; R696-L700 PolarHBondContact O-N 2.84Å; R696-A710 HydrophobicContact CG-CB 4.29Å; R696-T744 VanDerWaalsContact CZ-CG2 3.49Å |
| 697 | H | 71.3 | Confident | 65.1 | Low | 104 Ų | 104 | 71.1 Ų | 71.1 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 177.3 | -79.2 | -72.8 | 0 | 0 | 0 | 112.9 | N611 Q693 L694 L700 A701 | N611-H697 PolarHBondContact OD1-CD2 2.91Å; N611-H697 PolarHBondContact OD1-NE2 2.85Å; Q693-H697 PolarHBondContact O-CD2 3.02Å; Q693-H697 VanDerWaalsContact O-CD2 3.25Å; Q693-H697 PolarHBondContact O-N 2.81Å; L694-H697 PolarHBondContact O-N 3.09Å; L694-H697 VanDerWaalsContact O-N 3.15Å; H697-L700 PolarHBondContact O-N 3.31Å; H697-A701 WeakPolarHBondContact O-CB 3.32Å; H697-A701 PolarHBondContact O-N 3.35Å |
| 698 | A | 69.7 | Low | 63.2 | Low | 12 Ų | 12 | 79 Ų | 79 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L594 L694 F695 L700 A701 T702 | L594-A698 HydrophobicContact CB-CB 4Å; L594-A698 HydrophobicContact CD1-CB 4.24Å; L594-A698 HydrophobicContact CD2-CB 4.27Å; L594-A698 HydrophobicContact CG-CB 4.39Å; L694-A698 PolarHBondContact O-N 3.14Å; F695-A698 PolarHBondContact O-N 2.93Å; A698-L700 VanDerWaalsContact C-N 3.34Å; A698-L700 PolarHBondContact O-N 2.85Å; A698-A701 PolarHBondContact O-N 2.9Å; A698-T702 WeakPolarHBondContact O-CG2 3.23Å; A698-T702 PolarHBondContact O-N 2.84Å; A698-T702 VanDerWaalsContact O-N 3.11Å; A698-T702 PolarHBondContact O-OG1 2.84Å |
| 699 | N | 65.9 | Low | 61.8 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 35% | 0.353 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 178.4 | -71.9 | -6.8 | 0 | 0 | 0 | 112.6 | F695 A701 T702 | F695-N699 WeakPolarHBondContact O-CB 3.48Å; F695-N699 VanDerWaalsContact O-CG 3.29Å; F695-N699 PolarHBondContact O-N 2.81Å; N699-A701 VanDerWaalsContact C-N 3.33Å; N699-T702 PolarHBondContact O-OG1 3.3Å |
| 700 | L | 64.2 | Low | 60.3 | Low | 143 Ų | 143 | 82.9 Ų | 82.9 | 75% | 0.749 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.9 | -35.5 | 177.1 | -160.9 | 74 | 0 | 0 | 0 | 111.8 | R696 H697 A698 | R696-L700 WeakPolarHBondContact O-CB 3.35Å; R696-L700 PolarHBondContact O-N 2.84Å; H697-L700 PolarHBondContact O-N 3.31Å; A698-L700 VanDerWaalsContact C-N 3.34Å; A698-L700 PolarHBondContact O-N 2.85Å |
| 701 | A | 60.3 | Low | 58.8 | Low | 59 Ų | 59 | 84.4 Ų | 84.4 | 49% | 0.488 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H697 A698 N699 | H697-A701 WeakPolarHBondContact O-CB 3.32Å; H697-A701 PolarHBondContact O-N 3.35Å; A698-A701 PolarHBondContact O-N 2.9Å; N699-A701 VanDerWaalsContact C-N 3.33Å |
| 702 | T | 56.1 | Low | 57.8 | Low | 93 Ų | 93 | 84.1 Ų | 84.1 | 57% | 0.571 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -83.8 | -10.9 | -174.1 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | A698 N699 S704 | A698-T702 WeakPolarHBondContact O-CG2 3.23Å; A698-T702 PolarHBondContact O-N 2.84Å; A698-T702 VanDerWaalsContact O-N 3.11Å; A698-T702 PolarHBondContact O-OG1 2.84Å; N699-T702 PolarHBondContact O-OG1 3.3Å; T702-S704 PolarHBondContact O-N 2.88Å |
| 703 | K | 51.3 | Low | 57.4 | Low | 193 Ų | 193 | 87.7 Ų | 87.7 | 84% | 0.839 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 28.3 | -173.8 | -68 | -173.5 | 176.4 | -178.7 | 0 | 113.3 | S705 | K703-S705 PolarHBondContact O-N 2.9Š|
| 704 | S | 40.1 | Very low | 57 | Low | 53 Ų | 53 | 91.3 Ų | 91.3 | 37% | 0.371 | 48% | 0.482 | S | S | . | . | trans | -69.6 | 119.6 | -178.3 | 60 | 0 | 0 | 0 | 0 | 109.6 | T702 S706 | T702-S704 PolarHBondContact O-N 2.88Å; S704-S706 PolarHBondContact O-N 3.17Å | ||
| 705 | S | 37.2 | Very low | 56.5 | Low | 126 Ų | 126 | 95.1 Ų | 95.1 | 88% | 0.881 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -65.3 | -4.1 | -176 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | K703 F707 | K703-S705 PolarHBondContact O-N 2.9Å; S705-F707 PolarHBondContact O-N 2.69Å |
| 706 | S | 33.9 | Very low | 56.3 | Low | 64 Ų | 64 | 93.6 Ų | 93.6 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | trans | -84.6 | 95.3 | 166.6 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | S704 K708 | S704-S706 PolarHBondContact O-N 3.17Å; S706-K708 PolarHBondContact O-N 3.16Å | ||
| 707 | F | 36.2 | Very low | 56.5 | Low | 208 Ų | 208 | 87.9 Ų | 87.9 | 91% | 0.912 | 48% | 0.478 | S | S | * | . | trans | -66.1 | 47.6 | 154.1 | -91.5 | -89.8 | 0 | 0 | 0 | 111.1 | S705 D709 | S705-F707 PolarHBondContact O-N 2.69Å; F707-D709 VanDerWaalsContact C-N 3.27Å; F707-D709 PolarHBondContact O-N 3.49Å | ||
| 708 | K | 42.5 | Very low | 56.9 | Low | 183 Ų | 183 | 87.4 Ų | 87.4 | 80% | 0.796 | 47% | 0.472 | S | S | * | . | trans | -75.7 | 91.6 | 166.1 | -79.6 | -172.5 | 176.6 | -176.7 | 0 | 106.3 | S706 | S706-K708 PolarHBondContact O-N 3.16Š| ||
| 709 | D | 46.2 | Very low | 57.1 | Low | 115 Ų | 115 | 88.3 Ų | 88.3 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | trans | 5.5 | 124.2 | 176.9 | -81.7 | -31.7 | 0 | 0 | 0 | 116.7 | F707 G711 N745 | F707-D709 VanDerWaalsContact C-N 3.27Å; F707-D709 PolarHBondContact O-N 3.49Å; D709-G711 PolarHBondContact O-N 2.94Å; D709-N745 PolarHBondContact OD1-ND2 2.8Å; D709-N745 PolarHBondContact OD2-ND2 2.85Å | ||
| 710 | A | 49.8 | Very low | 57.9 | Low | 28 Ų | 28 | 85.2 Ų | 85.2 | 23% | 0.231 | 46% | 0.461 | C | S | . | . | trans | -68.3 | 54.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110 | F695 R696 | F695-A710 HydrophobicContact CB-CB 4.38Å; R696-A710 HydrophobicContact CG-CB 4.29Å | ||
| 711 | G | 52.3 | Low | 58.9 | Low | 35 Ų | 35 | 78.5 Ų | 78.5 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 125.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | D709 D713 | D709-G711 PolarHBondContact O-N 2.94Å; G711-D713 PolarHBondContact O-N 3.18Å |
| 712 | I | 59.7 | Low | 60 | Low | 23 Ų | 23 | 80.9 Ų | 80.9 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 124.8 | 166.6 | -63.8 | 168.2 | 0 | 0 | 0 | 108.4 | T688 L717 L720 | T688-I712 HydrophobicContact CG2-CB 4.35Å; T688-I712 HydrophobicContact CG2-CD1 3.65Å; T688-I712 HydrophobicContact CG2-CG1 3.79Å; T688-I712 HydrophobicContact CG2-CG2 3.62Å; I712-L717 HydrophobicContact CG2-CB 4.01Å; I712-L720 HydrophobicContact CD1-CD2 4.24Å |
| 713 | D | 64.2 | Low | 61.3 | Low | 86 Ų | 86 | 76.7 Ų | 76.7 | 46% | 0.46 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -48.3 | 144.9 | 177.2 | 168.4 | 47.6 | 0 | 0 | 0 | 110.8 | G711 N715 S716 L717 | G711-D713 PolarHBondContact O-N 3.18Å; D713-N715 PolarHBondContact O-N 3.44Å; D713-N715 WeakPolarHBondContact OD2-CB 3.4Å; D713-N715 PolarHBondContact OD2-N 2.89Å; D713-N715 PolarHBondContact OD2-ND2 3.07Å; D713-S716 CarbonylContact O-C 3.51Å; D713-S716 WeakPolarHBondContact O-CA 3.34Å; D713-S716 WeakPolarHBondContact O-CB 3.38Å; D713-S716 PolarHBondContact O-N 3.48Å; D713-L717 PolarHBondContact O-N 3.23Å |
| 714 | K | 70.8 | Confident | 63 | Low | 130 Ų | 130 | 67.5 Ų | 67.5 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -52.3 | -32.8 | -179.1 | -69.8 | 176.9 | -179.9 | 171.6 | 0 | 112 | R718 | K714-R718 WeakPolarHBondContact O-CB 3.37Å; K714-R718 WeakPolarHBondContact O-CD 3.42Å; K714-R718 WeakPolarHBondContact O-CG 3.33Å; K714-R718 PolarHBondContact O-N 2.93Å |
| 715 | N | 69.9 | Low | 65.3 | Low | 87 Ų | 87 | 65.3 Ų | 65.3 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -79 | -37.2 | 177.5 | -51.5 | -57.6 | 0 | 0 | 0 | 112.9 | D713 R718 S719 | D713-N715 PolarHBondContact O-N 3.44Å; D713-N715 WeakPolarHBondContact OD2-CB 3.4Å; D713-N715 PolarHBondContact OD2-N 2.89Å; D713-N715 PolarHBondContact OD2-ND2 3.07Å; N715-R718 PolarHBondContact OD1-NH1 3.49Å; N715-R718 VanDerWaalsContact OD1-NH1 3.07Å; N715-S719 WeakPolarHBondContact O-CB 3.41Å; N715-S719 PolarHBondContact O-N 2.75Å; N715-S719 PolarHBondContact O-OG 3.45Å |
| 716 | S | 68.9 | Low | 67.5 | Low | 24 Ų | 24 | 62.9 Ų | 62.9 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 169.5 | -66 | 0 | 0 | 0 | 0 | 111.3 | D713 S719 L720 | D713-S716 CarbonylContact O-C 3.51Å; D713-S716 WeakPolarHBondContact O-CA 3.34Å; D713-S716 WeakPolarHBondContact O-CB 3.38Å; D713-S716 PolarHBondContact O-N 3.48Å; S716-S719 WeakPolarHBondContact O-CB 3.45Å; S716-S719 PolarHBondContact O-N 2.72Å; S716-S719 VanDerWaalsContact O-N 3.13Å; S716-L720 WeakPolarHBondContact O-CB 3.38Å; S716-L720 PolarHBondContact O-N 2.93Å |
| 717 | L | 76.5 | Confident | 70 | Confident | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 176.5 | -178.5 | 63.2 | 0 | 0 | 0 | 111.9 | I712 D713 S719 L720 L721 N748 F752 F924 | I712-L717 HydrophobicContact CG2-CB 4.01Å; D713-L717 PolarHBondContact O-N 3.23Å; L717-S719 PolarHBondContact O-N 3.19Å; L717-L720 PolarHBondContact O-N 3.11Å; L717-L721 VanDerWaalsContact O-CB 3.28Å; L717-L721 WeakPolarHBondContact O-CB 3.34Å; L717-L721 PolarHBondContact O-N 2.78Å; L717-N748 HydrophobicContact CD1-CB 3.97Å; L717-N748 WeakPolarHBondContact CD2-OD1 3.23Å; L717-F752 HydrophobicContact CD1-CE2 4.18Å; L717-F752 HydrophobicContact CD1-CZ 4.23Å; L717-F924 HydrophobicContact CD2-CE1 4.02Å; L717-F924 HydrophobicContact CD2-CZ 4.24Å; L717-F924 HydrophobicContact CG-CE1 4.39Å; L717-F924 HydrophobicContact CG-CZ 4.14Å |
| 718 | R | 78.6 | Confident | 72.5 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.6 | -36 | 170.7 | -81.3 | 167.2 | 173 | 154.5 | -5.1 | 112.1 | K714 N715 K722 F924 | K714-R718 WeakPolarHBondContact O-CB 3.37Å; K714-R718 WeakPolarHBondContact O-CD 3.42Å; K714-R718 WeakPolarHBondContact O-CG 3.33Å; K714-R718 PolarHBondContact O-N 2.93Å; N715-R718 PolarHBondContact OD1-NH1 3.49Å; N715-R718 VanDerWaalsContact OD1-NH1 3.07Å; R718-K722 VanDerWaalsContact O-CG 3.28Å; R718-K722 WeakPolarHBondContact O-CG 3.36Å; R718-K722 PolarHBondContact O-N 3.05Å; R718-K722 VanDerWaalsContact O-N 3.14Å; R718-F924 HydrophobicContact CB-CE2 4.34Å; R718-F924 HydrophobicContact CB-CZ 4.23Å; R718-F924 HydrophobicContact CG-CD2 4.16Å; R718-F924 HydrophobicContact CG-CE1 4.09Å; R718-F924 HydrophobicContact CG-CE2 3.42Å; R718-F924 VanDerWaalsContact CG-CE2 3.42Å; R718-F924 HydrophobicContact CG-CZ 3.39Å |
| 719 | S | 75.5 | Confident | 74.6 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.7 | -47.2 | -179.8 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | N715 S716 L717 L721 K722 T723 | N715-S719 WeakPolarHBondContact O-CB 3.41Å; N715-S719 PolarHBondContact O-N 2.75Å; N715-S719 PolarHBondContact O-OG 3.45Å; S716-S719 WeakPolarHBondContact O-CB 3.45Å; S716-S719 PolarHBondContact O-N 2.72Å; S716-S719 VanDerWaalsContact O-N 3.13Å; L717-S719 PolarHBondContact O-N 3.19Å; S719-L721 VanDerWaalsContact C-N 3.29Å; S719-L721 PolarHBondContact O-N 2.99Å; S719-K722 WeakPolarHBondContact O-CB 3.41Å; S719-K722 PolarHBondContact O-N 2.96Å; S719-T723 PolarHBondContact O-N 2.83Å; S719-T723 PolarHBondContact O-OG1 2.85Å |
| 720 | L | 81.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56 | -41.5 | 173.1 | -163 | 71.7 | 0 | 0 | 0 | 112 | A685 I712 S716 L717 T723 F724 I739 L742 F752 | A685-L720 HydrophobicContact CB-CD1 4.26Å; I712-L720 HydrophobicContact CD1-CD2 4.24Å; S716-L720 WeakPolarHBondContact O-CB 3.38Å; S716-L720 PolarHBondContact O-N 2.93Å; L717-L720 PolarHBondContact O-N 3.11Å; L720-T723 VanDerWaalsContact CA-OG1 3.32Å; L720-T723 WeakPolarHBondContact CA-OG1 3.39Å; L720-T723 PolarHBondContact O-N 2.96Å; L720-T723 PolarHBondContact O-OG1 2.63Å; L720-F724 WeakPolarHBondContact O-CB 3.16Å; L720-F724 PolarHBondContact O-N 2.93Å; L720-I739 HydrophobicContact CD1-CG2 3.74Å; L720-I739 HydrophobicContact CG-CG2 3.79Å; L720-L742 HydrophobicContact CD1-CD1 4.31Å; L720-F752 HydrophobicContact CB-CZ 4.49Å; L720-F752 HydrophobicContact CD2-CE2 4.36Å; L720-F752 HydrophobicContact CD2-CZ 3.86Å; L720-F752 HydrophobicContact CG-CZ 4.05Å |
| 721 | L | 85.6 | Confident | 78.2 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.6 | -31 | 176.5 | -171.4 | 62.9 | 0 | 0 | 0 | 112.9 | L717 S719 F724 A725 V751 F752 L920 F924 | L717-L721 VanDerWaalsContact O-CB 3.28Å; L717-L721 WeakPolarHBondContact O-CB 3.34Å; L717-L721 PolarHBondContact O-N 2.78Å; S719-L721 VanDerWaalsContact C-N 3.29Å; S719-L721 PolarHBondContact O-N 2.99Å; L721-F724 HydrophobicContact CD1-CD1 4.23Å; L721-A725 VanDerWaalsContact O-CB 3.22Å; L721-A725 WeakPolarHBondContact O-CB 3.42Å; L721-A725 PolarHBondContact O-N 3.08Å; L721-V751 HydrophobicContact CD1-CG1 4.38Å; L721-V751 HydrophobicContact CD2-CG1 3.87Å; L721-F752 HydrophobicContact CB-CE1 4.33Å; L721-F752 HydrophobicContact CD1-CD1 3.71Å; L721-F752 HydrophobicContact CD1-CE1 3.66Å; L721-L920 HydrophobicContact CD2-CD2 3.7Å; L721-L920 HydrophobicContact CG-CD2 3.97Å; L721-F924 HydrophobicContact CD2-CE2 3.89Å; L721-F924 HydrophobicContact CD2-CZ 4.47Å |
| 722 | K | 83.3 | Confident | 79.7 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 47% | 0.47 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 170.4 | -74.1 | 166 | -175.7 | 174.9 | 0 | 111.4 | R718 S719 A725 M726 | R718-K722 VanDerWaalsContact O-CG 3.28Å; R718-K722 WeakPolarHBondContact O-CG 3.36Å; R718-K722 PolarHBondContact O-N 3.05Å; R718-K722 VanDerWaalsContact O-N 3.14Å; S719-K722 WeakPolarHBondContact O-CB 3.41Å; S719-K722 PolarHBondContact O-N 2.96Å; K722-A725 PolarHBondContact O-N 2.91Å; K722-M726 WeakPolarHBondContact O-CG 3.48Å; K722-M726 PolarHBondContact O-N 3.3Å |
| 723 | T | 82.5 | Confident | 81.1 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 173.9 | -0.3 | 0 | 0 | 0 | 0 | 111.3 | S681 S719 L720 A725 M726 A727 I739 | S681-T723 VanDerWaalsContact CB-CG2 3.41Å; S719-T723 PolarHBondContact O-N 2.83Å; S719-T723 PolarHBondContact O-OG1 2.85Å; L720-T723 VanDerWaalsContact CA-OG1 3.32Å; L720-T723 WeakPolarHBondContact CA-OG1 3.39Å; L720-T723 PolarHBondContact O-N 2.96Å; L720-T723 PolarHBondContact O-OG1 2.63Å; T723-A725 PolarHBondContact O-N 3.41Å; T723-M726 HydrophobicContact CG2-CE 4.3Å; T723-M726 PolarHBondContact O-N 2.88Å; T723-M726 VanDerWaalsContact O-N 3.12Å; T723-A727 PolarHBondContact O-N 3.31Å; T723-I739 HydrophobicContact CG2-CD1 4.41Å |
| 724 | F | 88.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 175.2 | -177.9 | -95.9 | 0 | 0 | 0 | 112 | L720 L721 M726 A727 C728 A736 I739 A740 F752 Y755 L764 L768 | L720-F724 WeakPolarHBondContact O-CB 3.16Å; L720-F724 PolarHBondContact O-N 2.93Å; L721-F724 HydrophobicContact CD1-CD1 4.23Å; F724-M726 VanDerWaalsContact C-N 3.27Å; F724-M726 PolarHBondContact O-N 3.06Å; F724-A727 WeakPolarHBondContact O-CB 3.14Å; F724-A727 PolarHBondContact O-N 2.97Å; F724-A727 VanDerWaalsContact O-N 3.08Å; F724-C728 PolarHBondContact O-N 3.36Å; F724-C728 PolarHBondContact O-SG 3.41Å; F724-A736 HydrophobicContact CD2-CB 3.95Å; F724-A736 WeakPolarHBondContact CD2-O 3.36Å; F724-A736 HydrophobicContact CE2-CB 3.87Å; F724-A736 VanDerWaalsContact CE2-O 3.23Å; F724-A736 WeakPolarHBondContact CE2-O 3.25Å; F724-I739 HydrophobicContact CB-CG2 3.96Å; F724-I739 HydrophobicContact CD2-CG2 4.47Å; F724-A740 HydrophobicContact CD2-CB 4.33Å; F724-A740 HydrophobicContact CE2-CB 4.04Å; F724-F752 HydrophobicContact CB-CD1 3.91Å; F724-F752 HydrophobicContact CB-CE1 3.64Å; F724-F752 AromaticContact CD1-CD1 3.61Å; F724-F752 HydrophobicContact CD1-CD1 3.61Å; F724-F752 HydrophobicContact CD1-CE1 4.2Å; F724-F752 AromaticContact CD2-CD1 3.58Å; F724-F752 HydrophobicContact CD2-CD1 3.58Å; F724-F752 HydrophobicContact CD2-CE1 4.02Å; F724-F752 HydrophobicContact CD2-CG 4.48Å; F724-F752 HydrophobicContact CE1-CB 4.3Å; F724-F752 AromaticContact CE1-CD1 3.89Å; F724-F752 HydrophobicContact CE1-CD1 3.89Å; F724-F752 HydrophobicContact CE2-CB 4.31Å; F724-F752 AromaticContact CE2-CD1 3.9Å; F724-F752 HydrophobicContact CE2-CD1 3.9Å; F724-F752 HydrophobicContact CE2-CG 4.44Å; F724-F752 AromaticContact CG-CD1 3.43Å; F724-F752 HydrophobicContact CG-CD1 3.43Å; F724-F752 VanDerWaalsContact CG-CD1 3.43Å; F724-F752 AromaticContact CG-CE1 3.72Å; F724-F752 HydrophobicContact CG-CE1 3.72Å; F724-F752 HydrophobicContact CZ-CB 4.04Å; F724-F752 HydrophobicContact CZ-CD1 4.04Å; F724-Y755 AromaticContact CD1-CD1 3.89Å; F724-Y755 HydrophobicContact CD1-CD1 3.89Å; F724-Y755 HydrophobicContact CD1-CE1 4.46Å; F724-Y755 AromaticContact CE1-CD1 3.71Å; F724-Y755 HydrophobicContact CE1-CD1 3.71Å; F724-Y755 HydrophobicContact CE1-CG 4.36Å; F724-L764 HydrophobicContact CE2-CD2 4.09Å; F724-L764 HydrophobicContact CZ-CD2 3.76Å; F724-L764 HydrophobicContact CZ-CG 4.48Å; F724-L768 HydrophobicContact CE2-CD1 4.34Å; F724-L768 HydrophobicContact CZ-CD1 3.91Å |
| 725 | A | 88.5 | Confident | 82.9 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L721 K722 T723 K729 Y755 | L721-A725 VanDerWaalsContact O-CB 3.22Å; L721-A725 WeakPolarHBondContact O-CB 3.42Å; L721-A725 PolarHBondContact O-N 3.08Å; K722-A725 PolarHBondContact O-N 2.91Å; T723-A725 PolarHBondContact O-N 3.41Å; A725-K729 WeakPolarHBondContact O-CB 3.23Å; A725-K729 WeakPolarHBondContact O-CD 3.47Å; A725-K729 WeakPolarHBondContact O-CG 3.41Å; A725-K729 PolarHBondContact O-N 2.76Å; A725-Y755 HydrophobicContact CB-CE1 3.93Å; A725-Y755 HydrophobicContact CB-CE2 4.25Å; A725-Y755 WeakPolarHBondContact CB-OH 3.49Å |
| 726 | M | 84.1 | Confident | 83.8 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.4 | -38.6 | 172.5 | -72.5 | -174.6 | -61.1 | 0 | 0 | 112.1 | S681 K722 T723 F724 K729 A730 | S681-M726 WeakPolarHBondContact OG-CE 3.42Å; K722-M726 WeakPolarHBondContact O-CG 3.48Å; K722-M726 PolarHBondContact O-N 3.3Å; T723-M726 HydrophobicContact CG2-CE 4.3Å; T723-M726 PolarHBondContact O-N 2.88Å; T723-M726 VanDerWaalsContact O-N 3.12Å; F724-M726 VanDerWaalsContact C-N 3.27Å; F724-M726 PolarHBondContact O-N 3.06Å; M726-K729 PolarHBondContact O-N 2.85Å; M726-A730 WeakPolarHBondContact O-CB 3.45Å; M726-A730 PolarHBondContact O-N 2.82Å |
| 727 | A | 85.4 | Confident | 84.7 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T723 F724 K729 A730 E731 N732 F735 A736 I739 | T723-A727 PolarHBondContact O-N 3.31Å; F724-A727 WeakPolarHBondContact O-CB 3.14Å; F724-A727 PolarHBondContact O-N 2.97Å; F724-A727 VanDerWaalsContact O-N 3.08Å; A727-K729 VanDerWaalsContact C-N 3.32Å; A727-K729 PolarHBondContact O-N 2.85Å; A727-A730 CarbonylContact O-C 3.46Å; A727-A730 PolarHBondContact O-N 2.83Å; A727-A730 VanDerWaalsContact O-N 3.07Å; A727-E731 PolarHBondContact O-N 2.88Å; A727-N732 PolarHBondContact O-N 3.27Å; A727-N732 VanDerWaalsContact O-N 3.1Å; A727-F735 HydrophobicContact CB-CD1 3.58Å; A727-F735 HydrophobicContact CB-CE1 4.07Å; A727-A736 HydrophobicContact CB-CB 3.75Å; A727-I739 HydrophobicContact CB-CD1 4.12Å |
| 728 | C | 88.3 | Confident | 85.2 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | F724 A730 E731 Y755 L764 | F724-C728 PolarHBondContact O-N 3.36Å; F724-C728 PolarHBondContact O-SG 3.41Å; C728-A730 VanDerWaalsContact C-N 3.27Å; C728-A730 PolarHBondContact O-N 2.85Å; C728-E731 PolarHBondContact O-N 3.18Å; C728-Y755 HydrophobicContact CB-CE1 4.36Å; C728-L764 VanDerWaalsContact SG-CD2 3.53Å |
| 729 | K | 87 | Confident | 85.5 | Confident | 123 Ų | 123 | 51.8 Ų | 51.8 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.8 | -20.2 | 176 | -77.6 | 172.5 | 177.4 | -178.9 | 0 | 114.4 | A725 M726 A727 | A725-K729 WeakPolarHBondContact O-CB 3.23Å; A725-K729 WeakPolarHBondContact O-CD 3.47Å; A725-K729 WeakPolarHBondContact O-CG 3.41Å; A725-K729 PolarHBondContact O-N 2.76Å; M726-K729 PolarHBondContact O-N 2.85Å; A727-K729 VanDerWaalsContact C-N 3.32Å; A727-K729 PolarHBondContact O-N 2.85Å |
| 730 | A | 85.3 | Confident | 86 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 56% | 0.562 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M726 A727 C728 N732 | M726-A730 WeakPolarHBondContact O-CB 3.45Å; M726-A730 PolarHBondContact O-N 2.82Å; A727-A730 CarbonylContact O-C 3.46Å; A727-A730 PolarHBondContact O-N 2.83Å; A727-A730 VanDerWaalsContact O-N 3.07Å; C728-A730 VanDerWaalsContact C-N 3.27Å; C728-A730 PolarHBondContact O-N 2.85Å; A730-N732 PolarHBondContact O-N 3.3Å |
| 731 | E | 86 | Confident | 86.1 | Confident | 150 Ų | 150 | 52.6 Ų | 52.6 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 18 | -176.7 | -60.4 | 176.4 | -174.7 | 0 | 0 | 113.9 | A727 C728 Y733 | A727-E731 PolarHBondContact O-N 2.88Å; C728-E731 PolarHBondContact O-N 3.18Å; E731-Y733 HydrophobicContact CB-CE2 4.47Å; E731-Y733 PolarHBondContact O-N 2.96Å |
| 732 | N | 85.1 | Confident | 85.7 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | trans | -91.6 | 75.3 | 178.9 | -168.5 | -11.5 | 0 | 0 | 0 | 110.2 | A727 A730 F735 A736 | A727-N732 PolarHBondContact O-N 3.27Å; A727-N732 VanDerWaalsContact O-N 3.1Å; A730-N732 PolarHBondContact O-N 3.3Å; N732-F735 HydrophobicContact CB-CB 4.24Å; N732-F735 WeakPolarHBondContact ND2-CB 3.36Å; N732-F735 PolarHBondContact O-N 2.93Å; N732-F735 VanDerWaalsContact OD1-CB 3.23Å; N732-F735 WeakPolarHBondContact OD1-CB 3.49Å; N732-F735 PolarHBondContact OD1-N 2.89Å; N732-A736 PolarHBondContact O-N 3.04Å | ||
| 733 | Y | 89.1 | Confident | 85.2 | Confident | 84 Ų | 84 | 49.3 Ų | 49.3 | 33% | 0.329 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.9 | -32.3 | -172.6 | -57.4 | -56.6 | 0 | 0 | 0 | 113.9 | E731 A736 L737 C761 L764 | E731-Y733 HydrophobicContact CB-CE2 4.47Å; E731-Y733 PolarHBondContact O-N 2.96Å; Y733-A736 PolarHBondContact O-N 2.83Å; Y733-L737 WeakPolarHBondContact O-CB 3.49Å; Y733-L737 PolarHBondContact O-N 2.84Å; Y733-C761 HydrophobicContact CE1-CB 4.22Å; Y733-L764 HydrophobicContact CD1-CB 4.19Å; Y733-L764 HydrophobicContact CD1-CD2 4.17Å |
| 734 | E | 87.7 | Confident | 84.5 | Confident | 159 Ų | 159 | 50.4 Ų | 50.4 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 174.9 | -65.8 | -173 | 156 | 0 | 0 | 110.4 | A736 L737 D738 | E734-A736 VanDerWaalsContact C-N 3.29Å; E734-A736 PolarHBondContact O-N 2.86Å; E734-L737 WeakPolarHBondContact O-CB 3.42Å; E734-L737 PolarHBondContact O-N 3.18Å; E734-L737 VanDerWaalsContact O-N 3.08Å; E734-D738 PolarHBondContact O-N 3.06Å |
| 735 | F | 85 | Confident | 83.6 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -34.4 | 174.5 | -179.3 | -117.9 | 0 | 0 | 0 | 113.1 | M677 A727 N732 D738 I739 | M677-F735 HydrophobicContact CE-CE1 4.49Å; M677-F735 HydrophobicContact CE-CE2 3.83Å; M677-F735 HydrophobicContact CE-CZ 3.57Å; M677-F735 HydrophobicContact CG-CE1 3.97Å; M677-F735 HydrophobicContact CG-CZ 3.93Å; M677-F735 HydrophobicContact SD-CE1 3.95Å; M677-F735 HydrophobicContact SD-CE2 4.22Å; M677-F735 HydrophobicContact SD-CZ 3.35Å; M677-F735 WeakPolarHBondContact SD-CZ 3.32Å; A727-F735 HydrophobicContact CB-CD1 3.58Å; A727-F735 HydrophobicContact CB-CE1 4.07Å; N732-F735 HydrophobicContact CB-CB 4.24Å; N732-F735 WeakPolarHBondContact ND2-CB 3.36Å; N732-F735 PolarHBondContact O-N 2.93Å; N732-F735 VanDerWaalsContact OD1-CB 3.23Å; N732-F735 WeakPolarHBondContact OD1-CB 3.49Å; N732-F735 PolarHBondContact OD1-N 2.89Å; F735-D738 PolarHBondContact O-N 2.85Å; F735-I739 HydrophobicContact CD1-CD1 3.88Å; F735-I739 HydrophobicContact CE1-CD1 3.38Å; F735-I739 HydrophobicContact CE1-CG1 4.33Å; F735-I739 HydrophobicContact CE2-CD1 4.1Å; F735-I739 HydrophobicContact CE2-CG1 4.17Å; F735-I739 HydrophobicContact CG-CD1 4.4Å; F735-I739 HydrophobicContact CZ-CD1 3.47Å; F735-I739 VanDerWaalsContact CZ-CD1 3.47Å; F735-I739 HydrophobicContact CZ-CG1 3.97Å; F735-I739 WeakPolarHBondContact O-CD1 3.45Å; F735-I739 WeakPolarHBondContact O-CG1 3.37Å; F735-I739 PolarHBondContact O-N 2.84Å |
| 736 | A | 87.6 | Confident | 83 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F724 A727 N732 Y733 E734 I739 A740 L764 | F724-A736 HydrophobicContact CD2-CB 3.95Å; F724-A736 WeakPolarHBondContact CD2-O 3.36Å; F724-A736 HydrophobicContact CE2-CB 3.87Å; F724-A736 VanDerWaalsContact CE2-O 3.23Å; F724-A736 WeakPolarHBondContact CE2-O 3.25Å; A727-A736 HydrophobicContact CB-CB 3.75Å; N732-A736 PolarHBondContact O-N 3.04Å; Y733-A736 PolarHBondContact O-N 2.83Å; E734-A736 VanDerWaalsContact C-N 3.29Å; E734-A736 PolarHBondContact O-N 2.86Å; A736-I739 PolarHBondContact O-N 2.97Å; A736-A740 PolarHBondContact O-N 3.12Å; A736-L764 HydrophobicContact CB-CD1 4.31Å; A736-L764 HydrophobicContact CB-CD2 3.72Å |
| 737 | L | 89.2 | Confident | 82.7 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 175.1 | -175.9 | 63.4 | 0 | 0 | 0 | 110.9 | Y733 E734 I739 A740 T741 L764 K767 L768 L771 | Y733-L737 WeakPolarHBondContact O-CB 3.49Å; Y733-L737 PolarHBondContact O-N 2.84Å; E734-L737 WeakPolarHBondContact O-CB 3.42Å; E734-L737 PolarHBondContact O-N 3.18Å; E734-L737 VanDerWaalsContact O-N 3.08Å; L737-I739 PolarHBondContact O-N 3.41Å; L737-A740 WeakPolarHBondContact O-CB 3.22Å; L737-A740 PolarHBondContact O-N 3.22Å; L737-A740 VanDerWaalsContact O-N 3.1Å; L737-T741 WeakPolarHBondContact O-CG2 3.25Å; L737-T741 PolarHBondContact O-N 2.73Å; L737-L764 HydrophobicContact CB-CD1 3.92Å; L737-L764 HydrophobicContact CD1-CD1 4.39Å; L737-K767 HydrophobicContact CD1-CB 4.06Å; L737-K767 HydrophobicContact CD2-CB 3.98Å; L737-K767 HydrophobicContact CD2-CG 4.5Å; L737-L768 HydrophobicContact CD1-CD2 3.81Å; L737-L768 HydrophobicContact CD1-CG 4.17Å; L737-L771 HydrophobicContact CD1-CD2 4.33Å |
| 738 | D | 86.7 | Confident | 82.4 | Confident | 96 Ų | 96 | 52.5 Ų | 52.5 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.1 | -48.6 | 175.6 | -71.5 | -19.6 | 0 | 0 | 0 | 111.8 | E734 F735 A740 T741 L742 | E734-D738 PolarHBondContact O-N 3.06Å; F735-D738 PolarHBondContact O-N 2.85Å; D738-A740 VanDerWaalsContact C-N 3.29Å; D738-A740 PolarHBondContact O-N 2.72Å; D738-T741 WeakPolarHBondContact O-CB 2.81Å; D738-T741 PolarHBondContact O-N 2.98Å; D738-T741 VanDerWaalsContact O-N 3.08Å; D738-T741 PolarHBondContact O-OG1 3.25Å; D738-L742 PolarHBondContact O-N 3.36Å |
| 739 | I | 84 | Confident | 82.2 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -42.8 | 175.4 | -70.8 | 161 | 0 | 0 | 0 | 111.5 | L720 T723 F724 A727 F735 A736 L737 T741 L742 | L720-I739 HydrophobicContact CD1-CG2 3.74Å; L720-I739 HydrophobicContact CG-CG2 3.79Å; T723-I739 HydrophobicContact CG2-CD1 4.41Å; F724-I739 HydrophobicContact CB-CG2 3.96Å; F724-I739 HydrophobicContact CD2-CG2 4.47Å; A727-I739 HydrophobicContact CB-CD1 4.12Å; F735-I739 HydrophobicContact CD1-CD1 3.88Å; F735-I739 HydrophobicContact CE1-CD1 3.38Å; F735-I739 HydrophobicContact CE1-CG1 4.33Å; F735-I739 HydrophobicContact CE2-CD1 4.1Å; F735-I739 HydrophobicContact CE2-CG1 4.17Å; F735-I739 HydrophobicContact CG-CD1 4.4Å; F735-I739 HydrophobicContact CZ-CD1 3.47Å; F735-I739 VanDerWaalsContact CZ-CD1 3.47Å; F735-I739 HydrophobicContact CZ-CG1 3.97Å; F735-I739 WeakPolarHBondContact O-CD1 3.45Å; F735-I739 WeakPolarHBondContact O-CG1 3.37Å; F735-I739 PolarHBondContact O-N 2.84Å; A736-I739 PolarHBondContact O-N 2.97Å; L737-I739 PolarHBondContact O-N 3.41Å; I739-T741 VanDerWaalsContact C-N 3.32Å; I739-T741 PolarHBondContact O-N 3.17Å; I739-L742 WeakPolarHBondContact O-CB 3.46Å; I739-L742 PolarHBondContact O-N 3.28Å |
| 740 | A | 85.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F724 A736 L737 D738 L742 S743 L749 F752 L768 | F724-A740 HydrophobicContact CD2-CB 4.33Å; F724-A740 HydrophobicContact CE2-CB 4.04Å; A736-A740 PolarHBondContact O-N 3.12Å; L737-A740 WeakPolarHBondContact O-CB 3.22Å; L737-A740 PolarHBondContact O-N 3.22Å; L737-A740 VanDerWaalsContact O-N 3.1Å; D738-A740 VanDerWaalsContact C-N 3.29Å; D738-A740 PolarHBondContact O-N 2.72Å; A740-L742 PolarHBondContact O-N 3.1Å; A740-S743 WeakPolarHBondContact O-CB 3.34Å; A740-S743 PolarHBondContact O-N 3.05Å; A740-S743 PolarHBondContact O-OG 3.15Å; A740-L749 HydrophobicContact CB-CD2 4.39Å; A740-L749 WeakPolarHBondContact O-CD2 3.42Å; A740-F752 HydrophobicContact CB-CB 4.3Å; A740-F752 HydrophobicContact CB-CD1 4.45Å; A740-F752 HydrophobicContact CB-CD2 4.27Å; A740-F752 HydrophobicContact CB-CG 4.09Å; A740-L768 HydrophobicContact CB-CD2 3.39Å |
| 741 | T | 83.3 | Confident | 82.2 | Confident | 48 Ų | 48 | 49 Ų | 49 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -29.2 | 176.3 | 78.2 | 0 | 0 | 0 | 0 | 113 | L737 D738 I739 S743 L771 R775 | L737-T741 WeakPolarHBondContact O-CG2 3.25Å; L737-T741 PolarHBondContact O-N 2.73Å; D738-T741 WeakPolarHBondContact O-CB 2.81Å; D738-T741 PolarHBondContact O-N 2.98Å; D738-T741 VanDerWaalsContact O-N 3.08Å; D738-T741 PolarHBondContact O-OG1 3.25Å; I739-T741 VanDerWaalsContact C-N 3.32Å; I739-T741 PolarHBondContact O-N 3.17Å; T741-S743 PolarHBondContact O-N 3.2Å; T741-L771 HydrophobicContact CG2-CD1 4.47Å; T741-L771 HydrophobicContact CG2-CD2 3.69Å; T741-R775 PolarHBondContact O-NH2 2.83Å |
| 742 | L | 78.5 | Confident | 82.3 | Confident | 41 Ų | 41 | 42 Ų | 42 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -24.6 | 174.9 | -57.4 | 179.6 | 0 | 0 | 0 | 112.6 | A685 N689 L720 D738 I739 A740 T744 | A685-L742 HydrophobicContact CB-CD1 3.77Å; N689-L742 HydrophobicContact CB-CD2 4.24Å; L720-L742 HydrophobicContact CD1-CD1 4.31Å; D738-L742 PolarHBondContact O-N 3.36Å; I739-L742 WeakPolarHBondContact O-CB 3.46Å; I739-L742 PolarHBondContact O-N 3.28Å; A740-L742 PolarHBondContact O-N 3.1Å; L742-T744 PolarHBondContact O-N 3.43Å |
| 743 | S | 73.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -75.6 | 118 | 171.9 | 79.5 | 0 | 0 | 0 | 0 | 109.8 | A740 T741 L749 F752 R775 | A740-S743 WeakPolarHBondContact O-CB 3.34Å; A740-S743 PolarHBondContact O-N 3.05Å; A740-S743 PolarHBondContact O-OG 3.15Å; T741-S743 PolarHBondContact O-N 3.2Å; S743-L749 WeakPolarHBondContact OG-CD2 3.49Å; S743-F752 WeakPolarHBondContact OG-CE2 3.48Å; S743-R775 PolarHBondContact O-NH1 3.37Å | ||
| 744 | T | 65.9 | Low | 82.6 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 17% | 0.172 | 20% | 0.201 | C | C | . | . | trans | -83 | -33.3 | -173.5 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | R696 L742 R775 | R696-T744 VanDerWaalsContact CZ-CG2 3.49Å; L742-T744 PolarHBondContact O-N 3.43Å; T744-R775 PolarHBondContact O-NH1 3.22Å | ||
| 745 | N | 70.7 | Confident | 82.7 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 15% | 0.15 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -85 | 133.9 | -173.4 | -173.3 | -34.6 | 0 | 0 | 0 | 112.3 | D709 A747 N748 L749 | D709-N745 PolarHBondContact OD1-ND2 2.8Å; D709-N745 PolarHBondContact OD2-ND2 2.85Å; N745-A747 VanDerWaalsContact C-N 3.26Å; N745-A747 PolarHBondContact O-N 2.85Å; N745-A747 VanDerWaalsContact OD1-CB 3.28Å; N745-A747 WeakPolarHBondContact OD1-CB 3.31Å; N745-A747 PolarHBondContact OD1-N 2.98Å; N745-N748 WeakPolarHBondContact O-CB 3.45Å; N745-N748 PolarHBondContact O-N 2.95Å; N745-L749 PolarHBondContact O-N 2.75Å |
| 746 | E | 75.1 | Confident | 83 | Confident | 51 Ų | 51 | 31.5 Ų | 31.5 | 24% | 0.238 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.6 | -35.4 | 177.3 | -157.3 | -145.6 | 166.9 | 0 | 0 | 113.1 | N748 L749 R750 R772 | E746-N748 VanDerWaalsContact C-N 3.26Å; E746-N748 PolarHBondContact O-N 2.86Å; E746-L749 PolarHBondContact O-N 3.18Å; E746-R750 WeakPolarHBondContact O-CG 3.33Å; E746-R750 PolarHBondContact O-N 2.93Å; E746-R750 IonicContact OE1-CZ 3.67Å; E746-R750 VanDerWaalsContact OE1-CZ 3.27Å; E746-R750 IonicContact OE1-NE 2.83Å; E746-R750 IonicContact OE1-NH1 3.62Å; E746-R750 IonicContact OE1-NH2 3.74Å; E746-R750 PolarHBondContact OE1-NH2 3.01Å; E746-R750 IonicContact OE2-CZ 2.72Å; E746-R750 IonicContact OE2-NH1 3.53Å; E746-R750 PolarHBondContact OE2-NH1 3Å; E746-R750 IonicContact OE2-NH2 3.89Å; E746-R750 PolarHBondContact OE2-NH2 2.79Å; E746-R772 HydrophobicContact CG-CG 3.93Å; E746-R772 IonicContact OE1-CZ 3.46Å; E746-R772 IonicContact OE1-NH1 2.68Å; E746-R772 PolarHBondContact OE1-NH1 2.75Å |
| 747 | A | 77.4 | Confident | 83.2 | Confident | 35 Ų | 35 | 34.8 Ų | 34.8 | 29% | 0.289 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.6 | -34 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N745 | N745-A747 VanDerWaalsContact C-N 3.26Å; N745-A747 PolarHBondContact O-N 2.85Å; N745-A747 VanDerWaalsContact OD1-CB 3.28Å; N745-A747 WeakPolarHBondContact OD1-CB 3.31Å; N745-A747 PolarHBondContact OD1-N 2.98Å |
| 748 | N | 80.2 | Confident | 83.2 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.1 | -42.5 | 175.8 | -65 | -13.6 | 0 | 0 | 0 | 110.8 | L717 N745 E746 R750 V751 F752 | L717-N748 HydrophobicContact CD1-CB 3.97Å; L717-N748 WeakPolarHBondContact CD2-OD1 3.23Å; N745-N748 WeakPolarHBondContact O-CB 3.45Å; N745-N748 PolarHBondContact O-N 2.95Å; E746-N748 VanDerWaalsContact C-N 3.26Å; E746-N748 PolarHBondContact O-N 2.86Å; N748-R750 VanDerWaalsContact C-N 3.27Å; N748-R750 PolarHBondContact O-N 3.34Å; N748-V751 WeakPolarHBondContact O-CB 3.5Å; N748-V751 PolarHBondContact O-N 3.2Å; N748-F752 HydrophobicContact CB-CE2 4.41Å; N748-F752 WeakPolarHBondContact O-CD2 3.34Å; N748-F752 PolarHBondContact O-N 3.07Å; N748-F752 VanDerWaalsContact O-N 3.16Å |
| 749 | L | 83.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -38.4 | 174.2 | -70.4 | 175.5 | 0 | 0 | 0 | 112.3 | A740 S743 N745 E746 V751 F752 L753 L771 | A740-L749 HydrophobicContact CB-CD2 4.39Å; A740-L749 WeakPolarHBondContact O-CD2 3.42Å; S743-L749 WeakPolarHBondContact OG-CD2 3.49Å; N745-L749 PolarHBondContact O-N 2.75Å; E746-L749 PolarHBondContact O-N 3.18Å; L749-V751 VanDerWaalsContact C-N 3.28Å; L749-V751 PolarHBondContact O-N 3.11Å; L749-F752 PolarHBondContact O-N 3.04Å; L749-L753 WeakPolarHBondContact O-CB 3.34Å; L749-L753 PolarHBondContact O-N 2.95Å; L749-L771 HydrophobicContact CD2-CD2 4.33Å |
| 750 | R | 85.1 | Confident | 83.5 | Confident | 113 Ų | 113 | 42.5 Ų | 42.5 | 43% | 0.426 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.3 | -33.4 | 173.1 | -69.9 | 178 | -178.8 | 114 | -1.2 | 113.3 | E746 N748 R754 | E746-R750 WeakPolarHBondContact O-CG 3.33Å; E746-R750 PolarHBondContact O-N 2.93Å; E746-R750 IonicContact OE1-CZ 3.67Å; E746-R750 VanDerWaalsContact OE1-CZ 3.27Å; E746-R750 IonicContact OE1-NE 2.83Å; E746-R750 IonicContact OE1-NH1 3.62Å; E746-R750 IonicContact OE1-NH2 3.74Å; E746-R750 PolarHBondContact OE1-NH2 3.01Å; E746-R750 IonicContact OE2-CZ 2.72Å; E746-R750 IonicContact OE2-NH1 3.53Å; E746-R750 PolarHBondContact OE2-NH1 3Å; E746-R750 IonicContact OE2-NH2 3.89Å; E746-R750 PolarHBondContact OE2-NH2 2.79Å; N748-R750 VanDerWaalsContact C-N 3.27Å; N748-R750 PolarHBondContact O-N 3.34Å; R750-R754 WeakPolarHBondContact O-CB 3.4Å; R750-R754 PolarHBondContact O-N 3.05Å |
| 751 | V | 86.4 | Confident | 83.6 | Confident | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.8 | -42 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 111 | L721 N748 L749 R754 Y755 T927 | L721-V751 HydrophobicContact CD1-CG1 4.38Å; L721-V751 HydrophobicContact CD2-CG1 3.87Å; N748-V751 WeakPolarHBondContact O-CB 3.5Å; N748-V751 PolarHBondContact O-N 3.2Å; L749-V751 VanDerWaalsContact C-N 3.28Å; L749-V751 PolarHBondContact O-N 3.11Å; V751-R754 PolarHBondContact O-N 2.97Å; V751-Y755 PolarHBondContact O-N 2.72Å; V751-T927 HydrophobicContact CG2-CG2 4.29Å |
| 752 | F | 89.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.2 | -68.6 | -69 | 0 | 0 | 0 | 112.1 | L717 L720 L721 F724 A740 S743 N748 L749 Y755 A756 L768 | L717-F752 HydrophobicContact CD1-CE2 4.18Å; L717-F752 HydrophobicContact CD1-CZ 4.23Å; L720-F752 HydrophobicContact CB-CZ 4.49Å; L720-F752 HydrophobicContact CD2-CE2 4.36Å; L720-F752 HydrophobicContact CD2-CZ 3.86Å; L720-F752 HydrophobicContact CG-CZ 4.05Å; L721-F752 HydrophobicContact CB-CE1 4.33Å; L721-F752 HydrophobicContact CD1-CD1 3.71Å; L721-F752 HydrophobicContact CD1-CE1 3.66Å; F724-F752 HydrophobicContact CB-CD1 3.91Å; F724-F752 HydrophobicContact CB-CE1 3.64Å; F724-F752 AromaticContact CD1-CD1 3.61Å; F724-F752 HydrophobicContact CD1-CD1 3.61Å; F724-F752 HydrophobicContact CD1-CE1 4.2Å; F724-F752 AromaticContact CD2-CD1 3.58Å; F724-F752 HydrophobicContact CD2-CD1 3.58Å; F724-F752 HydrophobicContact CD2-CE1 4.02Å; F724-F752 HydrophobicContact CD2-CG 4.48Å; F724-F752 HydrophobicContact CE1-CB 4.3Å; F724-F752 AromaticContact CE1-CD1 3.89Å; F724-F752 HydrophobicContact CE1-CD1 3.89Å; F724-F752 HydrophobicContact CE2-CB 4.31Å; F724-F752 AromaticContact CE2-CD1 3.9Å; F724-F752 HydrophobicContact CE2-CD1 3.9Å; F724-F752 HydrophobicContact CE2-CG 4.44Å; F724-F752 AromaticContact CG-CD1 3.43Å; F724-F752 HydrophobicContact CG-CD1 3.43Å; F724-F752 VanDerWaalsContact CG-CD1 3.43Å; F724-F752 AromaticContact CG-CE1 3.72Å; F724-F752 HydrophobicContact CG-CE1 3.72Å; F724-F752 HydrophobicContact CZ-CB 4.04Å; F724-F752 HydrophobicContact CZ-CD1 4.04Å; A740-F752 HydrophobicContact CB-CB 4.3Å; A740-F752 HydrophobicContact CB-CD1 4.45Å; A740-F752 HydrophobicContact CB-CD2 4.27Å; A740-F752 HydrophobicContact CB-CG 4.09Å; S743-F752 WeakPolarHBondContact OG-CE2 3.48Å; N748-F752 HydrophobicContact CB-CE2 4.41Å; N748-F752 WeakPolarHBondContact O-CD2 3.34Å; N748-F752 PolarHBondContact O-N 3.07Å; N748-F752 VanDerWaalsContact O-N 3.16Å; L749-F752 PolarHBondContact O-N 3.04Å; F752-Y755 PolarHBondContact O-N 3.01Å; F752-A756 PolarHBondContact O-N 2.94Å; F752-L768 HydrophobicContact CB-CD1 4.4Å |
| 753 | L | 90 | Very high | 84.3 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 176 | -173.4 | 74 | 0 | 0 | 0 | 111.3 | L749 Y755 A756 C757 A765 L768 E769 | L749-L753 WeakPolarHBondContact O-CB 3.34Å; L749-L753 PolarHBondContact O-N 2.95Å; L753-Y755 VanDerWaalsContact C-N 3.34Å; L753-Y755 PolarHBondContact O-N 3.08Å; L753-A756 PolarHBondContact O-N 3.16Å; L753-A756 VanDerWaalsContact O-N 3.16Å; L753-C757 PolarHBondContact O-N 2.75Å; L753-C757 PolarHBondContact O-SG 3.39Å; L753-C757 VanDerWaalsContact O-SG 3.33Å; L753-A765 HydrophobicContact CD1-CB 4.26Å; L753-A765 VanDerWaalsContact CD1-O 3.29Å; L753-A765 WeakPolarHBondContact CD1-O 3.41Å; L753-L768 HydrophobicContact CD1-CB 3.8Å; L753-E769 HydrophobicContact CD1-CB 4.16Å; L753-E769 WeakPolarHBondContact CD2-OE2 3.26Å |
| 754 | R | 90.1 | Very high | 85.2 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.8 | -166.6 | -174.7 | -65.7 | 155.1 | 1.6 | 111.6 | R750 V751 A756 C757 E758 L923 S926 T927 | R750-R754 WeakPolarHBondContact O-CB 3.4Å; R750-R754 PolarHBondContact O-N 3.05Å; V751-R754 PolarHBondContact O-N 2.97Å; R754-A756 PolarHBondContact O-N 3.21Å; R754-C757 PolarHBondContact O-N 2.85Å; R754-E758 HydrophobicContact CG-CG 4.46Å; R754-E758 WeakPolarHBondContact CG-OE1 3.37Å; R754-E758 WeakPolarHBondContact O-CB 3.43Å; R754-E758 WeakPolarHBondContact O-CG 3.25Å; R754-E758 PolarHBondContact O-N 2.84Å; R754-L923 VanDerWaalsContact CD-CD2 3.41Å; R754-L923 HydrophobicContact CG-CD2 4.02Å; R754-S926 PolarHBondContact NH1-OG 3.24Å; R754-T927 PolarHBondContact NH1-OG1 2.79Å |
| 755 | Y | 90.3 | Very high | 86.4 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 175.1 | -172.3 | -87.9 | 0 | 0 | 0 | 112.6 | F724 A725 C728 V751 F752 L753 E758 N759 L920 L923 | F724-Y755 AromaticContact CD1-CD1 3.89Å; F724-Y755 HydrophobicContact CD1-CD1 3.89Å; F724-Y755 HydrophobicContact CD1-CE1 4.46Å; F724-Y755 AromaticContact CE1-CD1 3.71Å; F724-Y755 HydrophobicContact CE1-CD1 3.71Å; F724-Y755 HydrophobicContact CE1-CG 4.36Å; A725-Y755 HydrophobicContact CB-CE1 3.93Å; A725-Y755 HydrophobicContact CB-CE2 4.25Å; A725-Y755 WeakPolarHBondContact CB-OH 3.49Å; C728-Y755 HydrophobicContact CB-CE1 4.36Å; V751-Y755 PolarHBondContact O-N 2.72Å; F752-Y755 PolarHBondContact O-N 3.01Å; L753-Y755 VanDerWaalsContact C-N 3.34Å; L753-Y755 PolarHBondContact O-N 3.08Å; Y755-E758 PolarHBondContact O-N 3.02Å; Y755-N759 PolarHBondContact O-N 3.19Å; Y755-N759 PolarHBondContact O-ND2 2.99Å; Y755-L920 HydrophobicContact CD2-CD2 4.14Å; Y755-L920 HydrophobicContact CE2-CD2 4.04Å; Y755-L923 HydrophobicContact CD2-CD1 4.08Å |
| 756 | A | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F752 L753 R754 N759 D760 C761 L764 A765 L768 | F752-A756 PolarHBondContact O-N 2.94Å; L753-A756 PolarHBondContact O-N 3.16Å; L753-A756 VanDerWaalsContact O-N 3.16Å; R754-A756 PolarHBondContact O-N 3.21Å; A756-N759 PolarHBondContact O-N 2.9Å; A756-D760 PolarHBondContact O-N 2.83Å; A756-C761 HydrophobicContact CB-CB 4.25Å; A756-C761 WeakPolarHBondContact O-CB 3.45Å; A756-C761 PolarHBondContact O-N 2.82Å; A756-L764 HydrophobicContact CB-CD2 4.4Å; A756-L764 HydrophobicContact CB-CG 4.38Å; A756-A765 HydrophobicContact CB-CB 4.16Å; A756-L768 HydrophobicContact CB-CD1 4.03Å |
| 757 | C | 90.7 | Very high | 88.2 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 175.8 | -62.8 | 0 | 0 | 0 | 0 | 113 | L753 R754 N759 D760 | L753-C757 PolarHBondContact O-N 2.75Å; L753-C757 PolarHBondContact O-SG 3.39Å; L753-C757 VanDerWaalsContact O-SG 3.33Å; R754-C757 PolarHBondContact O-N 2.85Å; C757-N759 PolarHBondContact O-N 2.72Å; C757-D760 PolarHBondContact O-N 3Å |
| 758 | E | 90.3 | Very high | 88.8 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.3 | -12.7 | 178.1 | -76.5 | 176.1 | -169.1 | 0 | 0 | 114.1 | R754 Y755 | R754-E758 HydrophobicContact CG-CG 4.46Å; R754-E758 WeakPolarHBondContact CG-OE1 3.37Å; R754-E758 WeakPolarHBondContact O-CB 3.43Å; R754-E758 WeakPolarHBondContact O-CG 3.25Å; R754-E758 PolarHBondContact O-N 2.84Å; Y755-E758 PolarHBondContact O-N 3.02Å |
| 759 | N | 89 | Confident | 89.2 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 26.2 | 178.6 | -63.9 | -95.5 | 0 | 0 | 0 | 112.1 | Y755 A756 C757 C761 | Y755-N759 PolarHBondContact O-N 3.19Å; Y755-N759 PolarHBondContact O-ND2 2.99Å; A756-N759 PolarHBondContact O-N 2.9Å; C757-N759 PolarHBondContact O-N 2.72Å; N759-C761 PolarHBondContact O-N 2.81Å; N759-C761 PolarHBondContact O-SG 3.38Å |
| 760 | D | 86.8 | Confident | 89.5 | Confident | 136 Ų | 136 | 62.2 Ų | 62.2 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 23.4 | 176.3 | -60.3 | -47.7 | 0 | 0 | 0 | 115.4 | A756 C757 N762 | A756-D760 PolarHBondContact O-N 2.83Å; C757-D760 PolarHBondContact O-N 3Å; D760-N762 PolarHBondContact O-N 3.01Å |
| 761 | C | 89 | Confident | 89.6 | Confident | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | trans | -83 | 57.4 | -176.8 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | Y733 A756 N759 I763 L764 A765 | Y733-C761 HydrophobicContact CE1-CB 4.22Å; A756-C761 HydrophobicContact CB-CB 4.25Å; A756-C761 WeakPolarHBondContact O-CB 3.45Å; A756-C761 PolarHBondContact O-N 2.82Å; N759-C761 PolarHBondContact O-N 2.81Å; N759-C761 PolarHBondContact O-SG 3.38Å; C761-I763 PolarHBondContact O-N 2.95Å; C761-L764 HydrophobicContact CB-CB 4.24Å; C761-L764 WeakPolarHBondContact O-CB 3.4Å; C761-L764 PolarHBondContact O-N 2.88Å; C761-A765 PolarHBondContact O-N 3.17Å | ||
| 762 | N | 87.4 | Confident | 89.6 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -53.9 | -46.5 | -167.4 | -64.4 | -32.2 | 0 | 0 | 0 | 114.4 | D760 L764 A765 E766 | D760-N762 PolarHBondContact O-N 3.01Å; N762-L764 VanDerWaalsContact C-N 3.3Å; N762-L764 PolarHBondContact O-N 2.99Å; N762-A765 WeakPolarHBondContact O-CB 3.24Å; N762-A765 PolarHBondContact O-N 2.85Å; N762-A765 VanDerWaalsContact O-N 3.15Å; N762-E766 PolarHBondContact O-N 3.05Å |
| 763 | I | 89.8 | Confident | 89.5 | Confident | 119 Ų | 119 | 66.4 Ų | 66.4 | 61% | 0.61 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.3 | -40.3 | 179.9 | -58.7 | 172.4 | 0 | 0 | 0 | 111 | C761 K767 | C761-I763 PolarHBondContact O-N 2.95Å; I763-K767 WeakPolarHBondContact O-CG 3.24Å; I763-K767 PolarHBondContact O-N 3.48Å |
| 764 | L | 90.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 176.7 | 177.8 | 59.8 | 0 | 0 | 0 | 111.2 | F724 C728 Y733 A736 L737 A756 C761 N762 K767 L768 | F724-L764 HydrophobicContact CE2-CD2 4.09Å; F724-L764 HydrophobicContact CZ-CD2 3.76Å; F724-L764 HydrophobicContact CZ-CG 4.48Å; C728-L764 VanDerWaalsContact SG-CD2 3.53Å; Y733-L764 HydrophobicContact CD1-CB 4.19Å; Y733-L764 HydrophobicContact CD1-CD2 4.17Å; A736-L764 HydrophobicContact CB-CD1 4.31Å; A736-L764 HydrophobicContact CB-CD2 3.72Å; L737-L764 HydrophobicContact CB-CD1 3.92Å; L737-L764 HydrophobicContact CD1-CD1 4.39Å; A756-L764 HydrophobicContact CB-CD2 4.4Å; A756-L764 HydrophobicContact CB-CG 4.38Å; C761-L764 HydrophobicContact CB-CB 4.24Å; C761-L764 WeakPolarHBondContact O-CB 3.4Å; C761-L764 PolarHBondContact O-N 2.88Å; N762-L764 VanDerWaalsContact C-N 3.3Å; N762-L764 PolarHBondContact O-N 2.99Å; L764-K767 PolarHBondContact O-N 3.47Å; L764-L768 HydrophobicContact CD1-CD1 4.12Å; L764-L768 HydrophobicContact CD1-CG 4.11Å; L764-L768 HydrophobicContact CG-CD1 3.87Å; L764-L768 HydrophobicContact CG-CG 4.34Å; L764-L768 WeakPolarHBondContact O-CB 3.21Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.37Å; L764-L768 PolarHBondContact O-N 3.4Å |
| 765 | A | 91.3 | Very high | 88.8 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L753 A756 C761 N762 K767 L768 E769 | L753-A765 HydrophobicContact CD1-CB 4.26Å; L753-A765 VanDerWaalsContact CD1-O 3.29Å; L753-A765 WeakPolarHBondContact CD1-O 3.41Å; A756-A765 HydrophobicContact CB-CB 4.16Å; C761-A765 PolarHBondContact O-N 3.17Å; N762-A765 WeakPolarHBondContact O-CB 3.24Å; N762-A765 PolarHBondContact O-N 2.85Å; N762-A765 VanDerWaalsContact O-N 3.15Å; A765-K767 VanDerWaalsContact C-N 3.35Å; A765-K767 PolarHBondContact O-N 3.46Å; A765-L768 PolarHBondContact O-N 2.85Å; A765-E769 WeakPolarHBondContact O-CB 3.19Å; A765-E769 PolarHBondContact O-N 2.87Å |
| 766 | E | 91.3 | Very high | 88.3 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.3 | -43.6 | 174.1 | -71.9 | 178.4 | -177.9 | 0 | 0 | 112.1 | N762 E769 S770 | N762-E766 PolarHBondContact O-N 3.05Å; E766-E769 PolarHBondContact O-N 3.42Å; E766-S770 WeakPolarHBondContact O-CB 3.24Å; E766-S770 PolarHBondContact O-N 3.19Å |
| 767 | K | 92.1 | Very high | 87.8 | Confident | 125 Ų | 125 | 76.8 Ų | 76.8 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 177.7 | -68.7 | -67.3 | -177.9 | 179.4 | 0 | 112.8 | L737 I763 L764 A765 S770 L771 | L737-K767 HydrophobicContact CD1-CB 4.06Å; L737-K767 HydrophobicContact CD2-CB 3.98Å; L737-K767 HydrophobicContact CD2-CG 4.5Å; I763-K767 WeakPolarHBondContact O-CG 3.24Å; I763-K767 PolarHBondContact O-N 3.48Å; L764-K767 PolarHBondContact O-N 3.47Å; A765-K767 VanDerWaalsContact C-N 3.35Å; A765-K767 PolarHBondContact O-N 3.46Å; K767-S770 PolarHBondContact O-N 3.14Å; K767-L771 WeakPolarHBondContact O-CB 3.17Å; K767-L771 PolarHBondContact O-N 3.32Å |
| 768 | L | 90.6 | Very high | 87.2 | Confident | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 175.6 | -73.8 | 169 | 0 | 0 | 0 | 112.2 | F724 L737 A740 F752 L753 A756 L764 A765 L771 R772 | F724-L768 HydrophobicContact CE2-CD1 4.34Å; F724-L768 HydrophobicContact CZ-CD1 3.91Å; L737-L768 HydrophobicContact CD1-CD2 3.81Å; L737-L768 HydrophobicContact CD1-CG 4.17Å; A740-L768 HydrophobicContact CB-CD2 3.39Å; F752-L768 HydrophobicContact CB-CD1 4.4Å; L753-L768 HydrophobicContact CD1-CB 3.8Å; A756-L768 HydrophobicContact CB-CD1 4.03Å; L764-L768 HydrophobicContact CD1-CD1 4.12Å; L764-L768 HydrophobicContact CD1-CG 4.11Å; L764-L768 HydrophobicContact CG-CD1 3.87Å; L764-L768 HydrophobicContact CG-CG 4.34Å; L764-L768 WeakPolarHBondContact O-CB 3.21Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.37Å; L764-L768 PolarHBondContact O-N 3.4Å; A765-L768 PolarHBondContact O-N 2.85Å; L768-L771 PolarHBondContact O-N 3.08Å; L768-R772 WeakPolarHBondContact O-CB 3.28Å; L768-R772 PolarHBondContact O-N 2.82Å |
| 769 | E | 89.2 | Confident | 86.2 | Confident | 72 Ų | 72 | 80 Ų | 80 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 176.7 | -174.4 | 60.3 | -171.5 | 0 | 0 | 111.7 | L753 A765 E766 L771 R772 K773 | L753-E769 HydrophobicContact CD1-CB 4.16Å; L753-E769 WeakPolarHBondContact CD2-OE2 3.26Å; A765-E769 WeakPolarHBondContact O-CB 3.19Å; A765-E769 PolarHBondContact O-N 2.87Å; E766-E769 PolarHBondContact O-N 3.42Å; E769-L771 PolarHBondContact O-N 2.9Å; E769-R772 PolarHBondContact O-N 2.72Å; E769-R772 IonicContact OE1-CZ 3.76Å; E769-R772 IonicContact OE1-NE 3.2Å; E769-R772 PolarHBondContact OE1-NE 3.23Å; E769-R772 IonicContact OE1-NH2 2.73Å; E769-R772 PolarHBondContact OE1-NH2 3.01Å; E769-R772 IonicContact OE2-CZ 3.83Å; E769-R772 IonicContact OE2-NE 3.8Å; E769-R772 PolarHBondContact OE2-NE 2.82Å; E769-R772 IonicContact OE2-NH2 2.85Å; E769-K773 PolarHBondContact O-N 3.06Å |
| 770 | S | 89.6 | Confident | 85.5 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 169.8 | -170.7 | 0 | 0 | 0 | 0 | 112 | E766 K767 K773 E774 | E766-S770 WeakPolarHBondContact O-CB 3.24Å; E766-S770 PolarHBondContact O-N 3.19Å; K767-S770 PolarHBondContact O-N 3.14Å; S770-K773 PolarHBondContact O-N 3.32Å; S770-E774 PolarHBondContact O-N 2.78Å |
| 771 | L | 86.7 | Confident | 84.8 | Confident | 25 Ų | 25 | 78.4 Ų | 78.4 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | 177.3 | -179.1 | 69.9 | 0 | 0 | 0 | 112.1 | L737 T741 L749 K767 L768 E769 R775 | L737-L771 HydrophobicContact CD1-CD2 4.33Å; T741-L771 HydrophobicContact CG2-CD1 4.47Å; T741-L771 HydrophobicContact CG2-CD2 3.69Å; L749-L771 HydrophobicContact CD2-CD2 4.33Å; K767-L771 WeakPolarHBondContact O-CB 3.17Å; K767-L771 PolarHBondContact O-N 3.32Å; L768-L771 PolarHBondContact O-N 3.08Å; E769-L771 PolarHBondContact O-N 2.9Å; L771-R775 WeakPolarHBondContact O-CG 3.4Å; L771-R775 PolarHBondContact O-N 3.49Å |
| 772 | R | 86.3 | Confident | 83.7 | Confident | 60 Ų | 60 | 82.9 Ų | 82.9 | 23% | 0.226 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.2 | -169.6 | -177.7 | 73.8 | 81.7 | 4.3 | 110.8 | E746 L768 E769 R775 Y776 | E746-R772 HydrophobicContact CG-CG 3.93Å; E746-R772 IonicContact OE1-CZ 3.46Å; E746-R772 IonicContact OE1-NH1 2.68Å; E746-R772 PolarHBondContact OE1-NH1 2.75Å; L768-R772 WeakPolarHBondContact O-CB 3.28Å; L768-R772 PolarHBondContact O-N 2.82Å; E769-R772 PolarHBondContact O-N 2.72Å; E769-R772 IonicContact OE1-CZ 3.76Å; E769-R772 IonicContact OE1-NE 3.2Å; E769-R772 PolarHBondContact OE1-NE 3.23Å; E769-R772 IonicContact OE1-NH2 2.73Å; E769-R772 PolarHBondContact OE1-NH2 3.01Å; E769-R772 IonicContact OE2-CZ 3.83Å; E769-R772 IonicContact OE2-NE 3.8Å; E769-R772 PolarHBondContact OE2-NE 2.82Å; E769-R772 IonicContact OE2-NH2 2.85Å; R772-R775 PolarHBondContact O-N 3.36Å; R772-Y776 PolarHBondContact O-N 2.83Å; R772-Y776 VanDerWaalsContact O-N 3.13Å |
| 773 | K | 86.5 | Confident | 82.5 | Confident | 127 Ų | 127 | 84.1 Ų | 84.1 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.8 | -48.1 | 177.7 | -170 | -175.1 | 174.9 | -171.2 | 0 | 112.1 | E769 S770 R775 Y776 D777 | E769-K773 PolarHBondContact O-N 3.06Å; S770-K773 PolarHBondContact O-N 3.32Å; K773-R775 PolarHBondContact O-N 2.77Å; K773-Y776 WeakPolarHBondContact O-CB 3.18Å; K773-Y776 PolarHBondContact O-N 2.96Å; K773-Y776 VanDerWaalsContact O-N 3.1Å; K773-D777 PolarHBondContact O-N 3.36Å |
| 774 | E | 85.1 | Confident | 81.3 | Confident | 89 Ų | 89 | 83.3 Ų | 83.3 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.5 | -39.1 | 178.9 | -170.1 | -161.1 | 142 | 0 | 0 | 112.4 | S770 K778 | S770-E774 PolarHBondContact O-N 2.78Å; E774-K778 HydrophobicContact CG-CD 4.41Å; E774-K778 WeakPolarHBondContact O-CB 3.27Å; E774-K778 VanDerWaalsContact O-CG 3.32Å; E774-K778 WeakPolarHBondContact O-CG 3.23Å; E774-K778 PolarHBondContact O-N 2.7Å; E774-K778 WeakPolarHBondContact OE1-CE 3.47Å; E774-K778 IonicContact OE1-NZ 3.41Å; E774-K778 PolarHBondContact OE1-NZ 3.23Å |
| 775 | R | 80.8 | Confident | 79.8 | Confident | 58 Ų | 58 | 86 Ų | 86 | 22% | 0.219 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -71.6 | -40.9 | 176.8 | -72 | -178.2 | 179.7 | -164.8 | 2.7 | 113.2 | T741 S743 T744 L771 R772 K773 D777 K778 E779 | T741-R775 PolarHBondContact O-NH2 2.83Å; S743-R775 PolarHBondContact O-NH1 3.37Å; T744-R775 PolarHBondContact O-NH1 3.22Å; L771-R775 WeakPolarHBondContact O-CG 3.4Å; L771-R775 PolarHBondContact O-N 3.49Å; R772-R775 PolarHBondContact O-N 3.36Å; K773-R775 PolarHBondContact O-N 2.77Å; R775-D777 VanDerWaalsContact C-N 3.34Å; R775-K778 PolarHBondContact O-N 2.78Å; R775-E779 WeakPolarHBondContact O-CB 3.49Å; R775-E779 WeakPolarHBondContact O-CG 3.16Å; R775-E779 PolarHBondContact O-N 2.99Å |
| 776 | Y | 79.4 | Confident | 77.9 | Confident | 145 Ų | 145 | 91.8 Ų | 91.8 | 57% | 0.569 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.4 | -45.6 | 175.6 | -177.5 | -94.6 | 0 | 0 | 0 | 111.3 | R772 K773 E779 A780 | R772-Y776 PolarHBondContact O-N 2.83Å; R772-Y776 VanDerWaalsContact O-N 3.13Å; K773-Y776 WeakPolarHBondContact O-CB 3.18Å; K773-Y776 PolarHBondContact O-N 2.96Å; K773-Y776 VanDerWaalsContact O-N 3.1Å; Y776-E779 PolarHBondContact O-N 3Å; Y776-A780 WeakPolarHBondContact O-CB 3.11Å; Y776-A780 PolarHBondContact O-N 2.97Å |
| 777 | D | 81.9 | Confident | 75.9 | Confident | 71 Ų | 71 | 90 Ų | 90 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 177.7 | -64.5 | -19.9 | 0 | 0 | 0 | 110.5 | K773 R775 A780 E781 | K773-D777 PolarHBondContact O-N 3.36Å; R775-D777 VanDerWaalsContact C-N 3.34Å; D777-A780 PolarHBondContact O-N 3.14Å; D777-E781 WeakPolarHBondContact O-CG 3.45Å; D777-E781 PolarHBondContact O-N 3.4Å |
| 778 | K | 77.5 | Confident | 73.8 | Confident | 110 Ų | 110 | 92.8 Ų | 92.8 | 48% | 0.478 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175 | -78.8 | 173.6 | 174.1 | 174.5 | 0 | 114.1 | E774 R775 A780 E781 L782 | E774-K778 HydrophobicContact CG-CD 4.41Å; E774-K778 WeakPolarHBondContact O-CB 3.27Å; E774-K778 VanDerWaalsContact O-CG 3.32Å; E774-K778 WeakPolarHBondContact O-CG 3.23Å; E774-K778 PolarHBondContact O-N 2.7Å; E774-K778 WeakPolarHBondContact OE1-CE 3.47Å; E774-K778 IonicContact OE1-NZ 3.41Å; E774-K778 PolarHBondContact OE1-NZ 3.23Å; R775-K778 PolarHBondContact O-N 2.78Å; K778-A780 VanDerWaalsContact C-N 3.34Å; K778-E781 PolarHBondContact O-N 3.29Å; K778-L782 WeakPolarHBondContact O-CB 3.45Å; K778-L782 PolarHBondContact O-N 2.9Å |
| 779 | E | 70 | Confident | 71.6 | Confident | 124 Ų | 124 | 95.6 Ų | 95.6 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.2 | -37.7 | 176.6 | -76.5 | 178 | 177.5 | 0 | 0 | 111.3 | R775 Y776 L782 F783 | R775-E779 WeakPolarHBondContact O-CB 3.49Å; R775-E779 WeakPolarHBondContact O-CG 3.16Å; R775-E779 PolarHBondContact O-N 2.99Å; Y776-E779 PolarHBondContact O-N 3Å; E779-L782 PolarHBondContact O-N 3.19Å; E779-F783 WeakPolarHBondContact O-CB 3.44Å; E779-F783 PolarHBondContact O-N 3.15Å |
| 780 | A | 72.8 | Confident | 69.3 | Low | 36 Ų | 36 | 99.8 Ų | 99.8 | 30% | 0.298 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y776 D777 K778 Q784 | Y776-A780 WeakPolarHBondContact O-CB 3.11Å; Y776-A780 PolarHBondContact O-N 2.97Å; D777-A780 PolarHBondContact O-N 3.14Å; K778-A780 VanDerWaalsContact C-N 3.34Å; A780-Q784 WeakPolarHBondContact O-CG 3.41Å; A780-Q784 PolarHBondContact O-N 3.31Å |
| 781 | E | 73.7 | Confident | 67 | Low | 133 Ų | 133 | 102.1 Ų | 102.1 | 62% | 0.621 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -45.2 | 173.1 | -75.4 | 178.6 | 173.3 | 0 | 0 | 111.9 | D777 K778 F783 Q784 S785 | D777-E781 WeakPolarHBondContact O-CG 3.45Å; D777-E781 PolarHBondContact O-N 3.4Å; K778-E781 PolarHBondContact O-N 3.29Å; E781-F783 PolarHBondContact O-N 3.09Å; E781-Q784 PolarHBondContact O-N 3.08Å; E781-S785 PolarHBondContact O-N 3.47Å |
| 782 | L | 64.5 | Low | 64.2 | Low | 105 Ų | 105 | 108.7 Ų | 108.7 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -179.7 | -131.6 | 136.3 | 0 | 0 | 0 | 111.3 | K778 E779 S785 F786 | K778-L782 WeakPolarHBondContact O-CB 3.45Å; K778-L782 PolarHBondContact O-N 2.9Å; E779-L782 PolarHBondContact O-N 3.19Å; L782-S785 PolarHBondContact O-N 3.05Å; L782-S785 PolarHBondContact O-OG 2.64Å; L782-F786 HydrophobicContact CD2-CD2 4.02Å; L782-F786 HydrophobicContact CD2-CE2 3.88Å; L782-F786 PolarHBondContact O-N 3.49Å |
| 783 | F | 62.7 | Low | 61.5 | Low | 132 Ų | 132 | 113.2 Ų | 113.2 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | 174.8 | -168.9 | -102.4 | 0 | 0 | 0 | 112.1 | E779 E781 S785 F786 Q787 | E779-F783 WeakPolarHBondContact O-CB 3.44Å; E779-F783 PolarHBondContact O-N 3.15Å; E781-F783 PolarHBondContact O-N 3.09Å; F783-S785 VanDerWaalsContact C-N 3.35Å; F783-S785 PolarHBondContact O-N 2.93Å; F783-F786 PolarHBondContact O-N 3.35Å; F783-Q787 HydrophobicContact CE1-CG 4.42Å; F783-Q787 VanDerWaalsContact CE1-NE2 3.26Å; F783-Q787 WeakPolarHBondContact O-CG 3.32Å; F783-Q787 PolarHBondContact O-N 2.8Å; F783-Q787 VanDerWaalsContact O-N 3.11Å |
| 784 | Q | 64.6 | Low | 58.7 | Low | 101 Ų | 101 | 112.2 Ų | 112.2 | 47% | 0.472 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 173.6 | -72 | 178.9 | 33.7 | 0 | 0 | 112.7 | A780 E781 R788 | A780-Q784 WeakPolarHBondContact O-CG 3.41Å; A780-Q784 PolarHBondContact O-N 3.31Å; E781-Q784 PolarHBondContact O-N 3.08Å; Q784-R788 WeakPolarHBondContact O-CG 3.42Å; Q784-R788 PolarHBondContact O-N 2.9Å; Q784-R788 VanDerWaalsContact O-N 3.13Å |
| 785 | S | 60.2 | Low | 55.9 | Low | 61 Ų | 61 | 116.9 Ų | 116.9 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.7 | -40.5 | 175.8 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | E781 L782 F783 R788 S789 | E781-S785 PolarHBondContact O-N 3.47Å; L782-S785 PolarHBondContact O-N 3.05Å; L782-S785 PolarHBondContact O-OG 2.64Å; F783-S785 VanDerWaalsContact C-N 3.35Å; F783-S785 PolarHBondContact O-N 2.93Å; S785-R788 PolarHBondContact O-N 3.27Å; S785-S789 PolarHBondContact O-N 2.66Å; S785-S789 PolarHBondContact O-OG 2.68Å |
| 786 | F | 50 | Low | 53.4 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 58% | 0.579 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61 | -47.4 | 175.7 | -101.2 | -86.9 | 0 | 0 | 0 | 111.1 | L782 F783 R788 S789 E790 | L782-F786 HydrophobicContact CD2-CD2 4.02Å; L782-F786 HydrophobicContact CD2-CE2 3.88Å; L782-F786 PolarHBondContact O-N 3.49Å; F783-F786 PolarHBondContact O-N 3.35Å; F786-R788 VanDerWaalsContact C-N 3.25Å; F786-R788 PolarHBondContact O-N 3.48Å; F786-S789 WeakPolarHBondContact CA-OG 3.4Å; F786-S789 PolarHBondContact O-N 3.09Å; F786-S789 PolarHBondContact O-OG 3.13Å; F786-E790 PolarHBondContact O-N 2.8Å |
| 787 | Q | 49.3 | Very low | 50.9 | Low | 105 Ų | 105 | 117.3 Ų | 117.3 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63 | -27.3 | 177.1 | -72.3 | -171.7 | -24.6 | 0 | 0 | 113.8 | F783 | F783-Q787 HydrophobicContact CE1-CG 4.42Å; F783-Q787 VanDerWaalsContact CE1-NE2 3.26Å; F783-Q787 WeakPolarHBondContact O-CG 3.32Å; F783-Q787 PolarHBondContact O-N 2.8Å; F783-Q787 VanDerWaalsContact O-N 3.11Å |
| 788 | R | 49 | Very low | 48.3 | Very low | 185 Ų | 185 | 122 Ų | 122 | 70% | 0.698 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.7 | -39.9 | 172.9 | -74.3 | 178.3 | -179.5 | 165.3 | 4.6 | 112.1 | Q784 S785 F786 E790 V791 | Q784-R788 WeakPolarHBondContact O-CG 3.42Å; Q784-R788 PolarHBondContact O-N 2.9Å; Q784-R788 VanDerWaalsContact O-N 3.13Å; S785-R788 PolarHBondContact O-N 3.27Å; F786-R788 VanDerWaalsContact C-N 3.25Å; F786-R788 PolarHBondContact O-N 3.48Å; R788-E790 VanDerWaalsContact C-N 3.31Å; R788-E790 PolarHBondContact O-N 3.23Å; R788-V791 PolarHBondContact O-N 3.01Å |
| 789 | S | 44.5 | Very low | 45.9 | Very low | 63 Ų | 63 | 119.7 Ų | 119.7 | 44% | 0.441 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.5 | -23.2 | 179.6 | 55.1 | 0 | 0 | 0 | 0 | 114.7 | S785 F786 V791 | S785-S789 PolarHBondContact O-N 2.66Å; S785-S789 PolarHBondContact O-OG 2.68Å; F786-S789 WeakPolarHBondContact CA-OG 3.4Å; F786-S789 PolarHBondContact O-N 3.09Å; F786-S789 PolarHBondContact O-OG 3.13Å; S789-V791 PolarHBondContact O-N 3.14Å |
| 790 | E | 39.6 | Very low | 43.8 | Very low | 160 Ų | 160 | 121.9 Ų | 121.9 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -10 | 173.6 | -78.4 | -173.4 | 139.7 | 0 | 0 | 113.9 | F786 R788 | F786-E790 PolarHBondContact O-N 2.8Å; R788-E790 VanDerWaalsContact C-N 3.31Å; R788-E790 PolarHBondContact O-N 3.23Å |
| 791 | V | 42.4 | Very low | 41.7 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 74% | 0.739 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -15.3 | -177.5 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | R788 S789 | R788-V791 PolarHBondContact O-N 3.01Å; S789-V791 PolarHBondContact O-N 3.14Å |
| 792 | E | 28.3 | Very low | 39.5 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | trans | -130.5 | 83.2 | 179.6 | -68.4 | -174.7 | 167.1 | 0 | 0 | 111.7 | ||||
| 793 | L | 28.3 | Very low | 37.7 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | trans | -104.5 | 109.7 | 167.6 | -80.6 | 171.1 | 0 | 0 | 0 | 110.6 | ||||
| 794 | P | 27.7 | Very low | 36.2 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | trans | -72.7 | 136.7 | 166 | -10.8 | 26.9 | 0 | 0 | 0 | 110.3 | V796 | P794-V796 VanDerWaalsContact C-N 3.34Å; P794-V796 PolarHBondContact O-N 2.74Å | ||
| 795 | E | 27.2 | Very low | 34.6 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | trans | -67.3 | 83.9 | 174.5 | -67.2 | -173.4 | 146.6 | 0 | 0 | 112.2 | S797 | E795-S797 VanDerWaalsContact C-N 3.26Å; E795-S797 PolarHBondContact O-N 2.89Å | ||
| 796 | V | 28.3 | Very low | 33.2 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | -82.2 | 77.3 | 169.1 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | P794 L798 | P794-V796 VanDerWaalsContact C-N 3.34Å; P794-V796 PolarHBondContact O-N 2.74Å; V796-L798 HydrophobicContact CG1-CG 4.44Å; V796-L798 PolarHBondContact O-N 3.4Å | ||
| 797 | S | 25.6 | Very low | 32.3 | Very low | 93 Ų | 93 | 149 Ų | 149 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | -69.9 | 96.3 | 168.8 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | E795 S799 | E795-S797 VanDerWaalsContact C-N 3.26Å; E795-S797 PolarHBondContact O-N 2.89Å; S797-S799 PolarHBondContact O-N 2.79Å | ||
| 798 | L | 27.4 | Very low | 31.3 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | trans | -72.1 | 64.2 | 165 | -77.2 | 172.9 | 0 | 0 | 0 | 110.6 | V796 L800 | V796-L798 HydrophobicContact CG1-CG 4.44Å; V796-L798 PolarHBondContact O-N 3.4Å; L798-L800 PolarHBondContact O-N 3.17Å | ||
| 799 | S | 27.4 | Very low | 30.5 | Very low | 63 Ų | 63 | 145.8 Ų | 145.8 | 44% | 0.441 | 76% | 0.76 | S | S | . | * | trans | -76.2 | 110.5 | 165.9 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | S797 K801 | S797-S799 PolarHBondContact O-N 2.79Å; S799-K801 PolarHBondContact O-N 2.94Å | ||
| 800 | L | 26.8 | Very low | 29.9 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -63.6 | 87.1 | 159.2 | -87.7 | 161.4 | 0 | 0 | 0 | 107.8 | L798 Y802 | L798-L800 PolarHBondContact O-N 3.17Å; L800-Y802 VanDerWaalsContact C-N 3.3Å; L800-Y802 PolarHBondContact O-N 2.9Å | ||
| 801 | K | 27.7 | Very low | 29.3 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 85.1 | -178.8 | -73.8 | -177.4 | 179.7 | 174.6 | 0 | 110.8 | S799 K803 | S799-K801 PolarHBondContact O-N 2.94Å; K801-K803 PolarHBondContact O-N 2.83Å | ||
| 802 | Y | 29.2 | Very low | 28.9 | Very low | 219 Ų | 219 | 156.4 Ų | 156.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -54.6 | 119.7 | 150.3 | -97.9 | -91.5 | 0 | 0 | 0 | 108.2 | L800 N804 | L800-Y802 VanDerWaalsContact C-N 3.3Å; L800-Y802 PolarHBondContact O-N 2.9Å; Y802-N804 VanDerWaalsContact C-N 3.28Å; Y802-N804 PolarHBondContact O-N 2.77Å | ||
| 803 | K | 26.6 | Very low | 28.9 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 77.3 | -178.6 | -76.3 | 179.5 | 174.2 | 172.5 | 0 | 111.3 | K801 | K801-K803 PolarHBondContact O-N 2.83Š| ||
| 804 | N | 30.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -104.1 | 108.9 | 160.1 | -79 | -7.6 | 0 | 0 | 0 | 108.9 | Y802 P806 | Y802-N804 VanDerWaalsContact C-N 3.28Å; Y802-N804 PolarHBondContact O-N 2.77Å; N804-P806 WeakPolarHBondContact O-CD 3.39Å | ||
| 805 | K | 30.4 | Very low | 29.2 | Very low | 195 Ų | 195 | 157.7 Ų | 157.7 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -70.7 | 121.4 | 169.4 | -76 | 177.5 | 172 | 180 | 0 | 108.7 | ||||
| 806 | P | 31.5 | Very low | 29.4 | Very low | 127 Ų | 127 | 155.8 Ų | 155.8 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -85.8 | 114.2 | 161.6 | 31.9 | -25.4 | 0 | 0 | 0 | 108.4 | N804 | N804-P806 WeakPolarHBondContact O-CD 3.39Š| ||
| 807 | Y | 30.1 | Very low | 29.5 | Very low | 209 Ų | 209 | 157.7 Ų | 157.7 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | -83.9 | 115.8 | 163.5 | -126.4 | -85.5 | 0 | 0 | 0 | 107.3 | V809 | Y807-V809 HydrophobicContact CD1-CG2 4.02Š| ||
| 808 | A | 29.2 | Very low | 29.8 | Very low | 97 Ų | 97 | 160.4 Ų | 160.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -87.1 | 124.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 809 | V | 32.3 | Very low | 30 | Very low | 127 Ų | 127 | 160 Ų | 160 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -131.9 | 141.8 | 163.1 | -177.6 | 0 | 0 | 0 | 0 | 107 | Y807 | Y807-V809 HydrophobicContact CD1-CG2 4.02Š| ||
| 810 | E | 32.3 | Very low | 30.1 | Very low | 188 Ų | 188 | 165.2 Ų | 165.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -73.1 | 172.9 | -173.8 | -63.6 | 174.5 | 126.7 | 0 | 0 | 112.2 | ||||
| 811 | R | 27.1 | Very low | 30.3 | Very low | 232 Ų | 232 | 164 Ų | 164 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -60.3 | 138.5 | 176.8 | -58 | 167.6 | -179.2 | 158.1 | -0.4 | 110 | ||||
| 812 | D | 32.9 | Very low | 30.2 | Very low | 147 Ų | 147 | 162 Ų | 162 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | -171.9 | 138.3 | 103.1 | -86.3 | -20.1 | 0 | 0 | 0 | 112.8 | |||||
| 813 | E | 28.8 | Very low | 30.4 | Very low | 154 Ų | 154 | 159.8 Ų | 159.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 39.7 | 123.1 | 147.4 | -66 | -163.3 | -177.6 | 0 | 0 | 123.8 | ||||
| 814 | K | 32.2 | Very low | 30.5 | Very low | 150 Ų | 150 | 161.3 Ų | 161.3 | 65% | 0.652 | 79% | 0.791 | S | S | * | * | trans | 104 | 131 | 138.7 | -73.3 | 166.3 | -174 | 169.6 | 0 | 121.2 | ||||
| 815 | E | 30.4 | Very low | 30.6 | Very low | 147 Ų | 147 | 162.9 Ų | 162.9 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | trans | 52.1 | 139.3 | 133.2 | -60.5 | 151.1 | -161.8 | 0 | 0 | 118.1 | ||||
| 816 | E | 30.7 | Very low | 30.4 | Very low | 149 Ų | 149 | 158.5 Ų | 158.5 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | cis | -169.8 | 151.7 | -6.1 | -112.8 | 165.3 | 178.7 | 0 | 0 | 105.5 | ||||
| 817 | E | 31.1 | Very low | 30.3 | Very low | 158 Ų | 158 | 160.6 Ų | 160.6 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 61.2 | 155.4 | 152.9 | -64.6 | 170.3 | 178 | 0 | 0 | 118.5 | ||||
| 818 | E | 31.6 | Very low | 30.2 | Very low | 150 Ų | 150 | 157.4 Ų | 157.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | -158.8 | 161 | -5.2 | -118.8 | 175 | 177.8 | 0 | 0 | 111.2 | ||||
| 819 | E | 30.8 | Very low | 30.1 | Very low | 160 Ų | 160 | 162 Ų | 162 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 47.3 | 120.8 | 150.4 | -63.7 | -169.8 | 160.4 | 0 | 0 | 126.4 | ||||
| 820 | E | 29.3 | Very low | 30.1 | Very low | 173 Ų | 173 | 159.9 Ų | 159.9 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | 33.3 | 131.6 | 127 | -54.2 | -159.9 | 153.8 | 0 | 0 | 123.2 | |||||
| 821 | T | 32.1 | Very low | 29.9 | Very low | 142 Ų | 142 | 158.2 Ų | 158.2 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | -165.3 | 140.6 | 107.9 | 16.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 822 | T | 26.4 | Very low | 30 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -96.7 | 147.5 | 174.4 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 823 | N | 33.3 | Very low | 30.2 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -154 | 135.1 | 154.8 | -105.7 | -43.2 | 0 | 0 | 0 | 112.5 | ||||
| 824 | R | 28 | Very low | 30.2 | Very low | 233 Ų | 233 | 150.5 Ų | 150.5 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -82.8 | 142.8 | 178.8 | -70.7 | 169.4 | 158.6 | 174.9 | -7.3 | 110.8 | ||||
| 825 | L | 31.1 | Very low | 30.1 | Very low | 177 Ų | 177 | 154 Ų | 154 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -138.7 | 120.6 | 147.2 | -80.1 | 179.4 | 0 | 0 | 0 | 110.9 | ||||
| 826 | S | 26.2 | Very low | 30 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -110.4 | 137.3 | 167.8 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 827 | L | 31.4 | Very low | 29.9 | Very low | 170 Ų | 170 | 149 Ų | 149 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -154.8 | 148.3 | 164.1 | -111.4 | 149.3 | 0 | 0 | 0 | 111.4 | ||||
| 828 | N | 27.1 | Very low | 30 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -112.1 | 164.5 | -163.1 | -73.9 | -33.7 | 0 | 0 | 0 | 113 | ||||
| 829 | F | 27.5 | Very low | 29.7 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | 86.8 | 153.9 | 137.7 | -118.9 | -103.1 | 0 | 0 | 0 | 122.1 | ||||
| 830 | A | 31.7 | Very low | 29.8 | Very low | 81 Ų | 81 | 150.1 Ų | 150.1 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | 93.4 | 84 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 831 | L | 29.1 | Very low | 29.7 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | 44.6 | 122.5 | 117.4 | -70 | 164.3 | 0 | 0 | 0 | 123.3 | |||||
| 832 | S | 27.7 | Very low | 29.8 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | 80 | 168.7 | 129 | 84 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 833 | P | 38 | Very low | 29.8 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -134.2 | -164.3 | -91.5 | 40.2 | -20.6 | 0 | 0 | 0 | 115.3 | |||||
| 834 | D | 28.1 | Very low | 29.6 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 94.9 | 144.4 | 160.9 | -86.7 | -8.8 | 0 | 0 | 0 | 122.4 | ||||
| 835 | R | 31.1 | Very low | 29.7 | Very low | 222 Ų | 222 | 142.9 Ų | 142.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | 86.4 | 97.4 | 157.1 | -78 | 178.2 | -179.7 | -156.1 | -1.8 | 123 | ||||
| 836 | S | 28.5 | Very low | 29.7 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | 72.4 | 118.6 | 116.1 | 67.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 837 | A | 27.8 | Very low | 30 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 57.5 | 109.4 | 131.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 838 | Y | 33.5 | Very low | 29.7 | Very low | 238 Ų | 238 | 137.7 Ų | 137.7 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | trans | -140.2 | 138.6 | 138 | -101.2 | -82.9 | 0 | 0 | 0 | 109.9 | ||||
| 839 | T | 25.8 | Very low | 30 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -93.6 | 176.9 | 170.9 | 47.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 840 | D | 31.5 | Very low | 30 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 92.6 | 122.2 | 157.9 | -51.8 | -27.3 | 0 | 0 | 0 | 119.9 | ||||
| 841 | D | 28.7 | Very low | 30 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | 52 | 103 | 142.6 | -69.2 | -12.2 | 0 | 0 | 0 | 121.2 | ||||
| 842 | L | 33.4 | Very low | 30 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 95% | 0.953 | 78% | 0.775 | S | S | * | * | -138.4 | 111.3 | 126.9 | -92.3 | 179.1 | 0 | 0 | 0 | 111.4 | |||||
| 843 | L | 26.6 | Very low | 30 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 170 | 176 | -82.2 | 153.7 | 0 | 0 | 0 | 113.4 | ||||
| 844 | S | 29.3 | Very low | 29.5 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 82.8 | 144.8 | 154.6 | 87.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 845 | V | 30.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | cis | -151.1 | 153.4 | 16.2 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 846 | A | 30.9 | Very low | 29.5 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 68.6 | 147.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 847 | S | 31 | Very low | 29.6 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -167.4 | 146.4 | -12.2 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 848 | T | 26.3 | Very low | 29.5 | Very low | 136 Ų | 136 | 136 Ų | 136 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -112.3 | 167.2 | 177 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 849 | P | 32.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -135.2 | 125.1 | 129.6 | 28.8 | -13 | 0 | 0 | 0 | 111.7 | |||||
| 850 | S | 28.2 | Very low | 29.6 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 65.7 | 105 | 75.5 | 83.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 851 | M | 30.9 | Very low | 29.8 | Very low | 175 Ų | 175 | 130 Ų | 130 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | 166.9 | 166.1 | 85.1 | -87.8 | -90.2 | -87.5 | 0 | 0 | 108.4 | |||||
| 852 | S | 30.1 | Very low | 30.1 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | cis | -162.5 | 141.3 | -5 | 44.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 853 | S | 26.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 34.7 | 126.2 | 148.8 | 64.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 854 | C | 28.4 | Very low | 30.5 | Very low | 133 Ų | 133 | 123 Ų | 123 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | -161.5 | 122.3 | 118.2 | -106.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 855 | F | 26.8 | Very low | 30.8 | Very low | 223 Ų | 223 | 127.2 Ų | 127.2 | 98% | 0.978 | 79% | 0.792 | S | S | * | * | trans | -90.3 | 152.4 | 172.9 | -92 | -100.2 | 0 | 0 | 0 | 110.7 | ||||
| 856 | G | 31.6 | Very low | 31 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -174.5 | 85.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 857 | D | 31.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | 34.9 | 125.8 | 153.1 | -56.8 | -27.4 | 0 | 0 | 0 | 123.9 | ||||
| 858 | L | 25.2 | Very low | 31.8 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -32.5 | 153 | 154.8 | -92 | 146.7 | 0 | 0 | 0 | 116.7 | T860 | L858-T860 HydrophobicContact CD2-CG2 3.94Š| ||
| 859 | P | 31.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | -144.9 | 149.1 | 79.2 | 37 | -19.1 | 0 | 0 | 0 | 118.2 | |||||
| 860 | T | 30.5 | Very low | 32.6 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.3 | 166.2 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | L858 | L858-T860 HydrophobicContact CD2-CG2 3.94Š|
| 861 | P | 36.1 | Very low | 33 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 117.6 | 165.1 | 31.3 | -29.4 | 0 | 0 | 0 | 111.4 | ||
| 862 | S | 33.6 | Very low | 33 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69 | 149.9 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 863 | P | 35.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133.3 | 179.6 | 31.5 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 864 | G | 33 | Very low | 33.5 | Very low | 71 Ų | 71 | 149.6 Ų | 149.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -163.9 | 75.6 | -169 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 865 | K | 35.2 | Very low | 33.7 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | 72.1 | 137.9 | 153.6 | -61.2 | 178.6 | 179.7 | 174.8 | 0 | 119.6 | ||||
| 866 | P | 34.9 | Very low | 33.9 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -83.8 | 155.9 | 179 | 35.6 | -36 | 0 | 0 | 0 | 112.7 | ||||
| 867 | Y | 34.7 | Very low | 34 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -118.8 | 146.4 | 170.4 | -161.7 | -102.8 | 0 | 0 | 0 | 112.6 | ||||
| 868 | N | 43.9 | Very low | 34 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | trans | -95.2 | 132.7 | -156 | 176.8 | -18.9 | 0 | 0 | 0 | 112.8 | F870 | N868-F870 VanDerWaalsContact C-N 3.28Å; N868-F870 PolarHBondContact O-N 2.79Å; N868-F870 VanDerWaalsContact O-N 3.14Å; N868-F870 PolarHBondContact OD1-N 2.82Å | ||
| 869 | P | 40.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -76.6 | 11.3 | -174 | 30.9 | -35.9 | 0 | 0 | 0 | 116.8 | ||
| 870 | F | 35.9 | Very low | 34.4 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -118.1 | 54.3 | -172.3 | -70.2 | -75 | 0 | 0 | 0 | 116.6 | N868 | N868-F870 VanDerWaalsContact C-N 3.28Å; N868-F870 PolarHBondContact O-N 2.79Å; N868-F870 VanDerWaalsContact O-N 3.14Å; N868-F870 PolarHBondContact OD1-N 2.82Å | ||
| 871 | K | 36.2 | Very low | 34.5 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -127 | 100 | 172.9 | -112.1 | 176.2 | -177.7 | 172.3 | 0 | 114.5 | ||||
| 872 | K | 31.5 | Very low | 34.2 | Very low | 208 Ų | 208 | 149.3 Ų | 149.3 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | trans | -88.7 | 138.5 | 167.6 | -70.3 | 179.9 | 175.6 | 178.1 | 0 | 111.9 | ||||
| 873 | R | 34 | Very low | 34.1 | Very low | 229 Ų | 229 | 153.2 Ų | 153.2 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -151.7 | 112.7 | 152.6 | -94.3 | -177.2 | -179.4 | -174.9 | -1.4 | 107.1 | ||||
| 874 | K | 34.3 | Very low | 33.8 | Very low | 183 Ų | 183 | 154 Ų | 154 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | 86.4 | 139.8 | 86.7 | -84.9 | -161.5 | 174.9 | -167.7 | 0 | 112.8 | |||||
| 875 | T | 30.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | 171.4 | 126 | -30 | 28.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 876 | T | 31.9 | Very low | 33.4 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -174.5 | 137.2 | 157.7 | 30.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 877 | K | 33.3 | Very low | 33.3 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | cis | -162.8 | 147.7 | -7.2 | -127.4 | -179.6 | 174.1 | -105.2 | 0 | 108.7 | ||||
| 878 | E | 32.5 | Very low | 33 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | trans | 39.2 | 139.6 | 146.4 | -64.4 | 145.1 | -158.6 | 0 | 0 | 119.9 | ||||
| 879 | T | 32.9 | Very low | 32.2 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | cis | -164.7 | 133.1 | 38.1 | -34.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 880 | E | 31 | Very low | 31.9 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 53.1 | 150.2 | 143.8 | -61.3 | 179.4 | 176.2 | 0 | 0 | 123.3 | ||||
| 881 | L | 32.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 63% | 0.634 | 79% | 0.791 | S | S | * | * | cis | -164.8 | 143.4 | -12 | -106.3 | 163.5 | 0 | 0 | 0 | 110.9 | ||||
| 882 | Q | 30.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 46.5 | 123.4 | 149.7 | -71.5 | 176.8 | 27.9 | 0 | 0 | 120.7 | ||||
| 883 | K | 31.4 | Very low | 31.6 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | -174.6 | 154.8 | 59.2 | -122.1 | 161.3 | -170.4 | 176.5 | 0 | 113.1 | |||||
| 884 | V | 28.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 148 Ų | 148 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | trans | -51.7 | 140.7 | -177.5 | 179.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 885 | G | 32.5 | Very low | 31.4 | Very low | 75 Ų | 75 | 151.4 Ų | 151.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -170.6 | 129.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 886 | S | 28.3 | Very low | 31.4 | Very low | 129 Ų | 129 | 155 Ų | 155 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -95.5 | 134.4 | -176.8 | 158.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 887 | A | 31.7 | Very low | 31.5 | Very low | 84 Ų | 84 | 154 Ų | 154 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | -170.5 | 142.9 | 140 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 888 | F | 27.7 | Very low | 31.7 | Very low | 216 Ų | 216 | 151.5 Ų | 151.5 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -81.7 | 107.4 | 163.1 | -107.4 | -102.9 | 0 | 0 | 0 | 108 | ||||
| 889 | D | 29 | Very low | 31.7 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | -158.6 | 124.3 | 159.5 | -92.8 | -41.6 | 0 | 0 | 0 | 107.5 | ||||
| 890 | F | 33.5 | Very low | 32 | Very low | 219 Ų | 219 | 147.4 Ų | 147.4 | 96% | 0.961 | 80% | 0.797 | S | S | * | * | trans | -130.7 | 94.4 | 168 | -103.1 | -74.7 | 0 | 0 | 0 | 110.1 | ||||
| 891 | E | 33.9 | Very low | 32.2 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -61.6 | 162.7 | 168.2 | -62 | -175 | 124.3 | 0 | 0 | 112.2 | ||||
| 892 | T | 29.2 | Very low | 32.5 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | -59.6 | 138.1 | 179.6 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | K894 | T892-K894 PolarHBondContact O-N 3.16Š| ||
| 893 | P | 34.2 | Very low | 32.8 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 112.1 | 176.1 | 29.8 | -33 | 0 | 0 | 0 | 111.3 | ||||
| 894 | K | 32.5 | Very low | 33 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | -66 | 130.7 | 169.5 | -74.3 | 175.1 | 178.8 | 166.5 | 0 | 110.5 | T892 Q896 | T892-K894 PolarHBondContact O-N 3.16Å; K894-Q896 PolarHBondContact O-N 3.01Å; K894-Q896 VanDerWaalsContact O-N 3.16Å | ||
| 895 | R | 31.1 | Very low | 33.4 | Very low | 253 Ų | 253 | 136.4 Ų | 136.4 | 96% | 0.955 | 76% | 0.758 | S | S | * | * | trans | -56.2 | 115.5 | 170.6 | -80 | 177.8 | 167.6 | 173.8 | -3.6 | 110.6 | ||||
| 896 | Q | 32.1 | Very low | 33.6 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -93 | 138 | 154.9 | -73.4 | -175.3 | -14.4 | 0 | 0 | 109.2 | K894 | K894-Q896 PolarHBondContact O-N 3.01Å; K894-Q896 VanDerWaalsContact O-N 3.16Å |
| 897 | S | 34.1 | Very low | 33.9 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 138 | 178.6 | 38.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 898 | P | 35.8 | Very low | 33.9 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 149.4 | 175.8 | 29.7 | -33.7 | 0 | 0 | 0 | 111.9 | ||
| 899 | S | 34.3 | Very low | 34.2 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -76 | 161.2 | -174.3 | 56.8 | 0 | 0 | 0 | 0 | 114 | E901 Q902 | S899-E901 VanDerWaalsContact C-N 3.25Å; S899-E901 PolarHBondContact O-N 2.85Å; S899-Q902 PolarHBondContact O-N 2.87Å |
| 900 | A | 37.7 | Very low | 34.6 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -16.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 901 | E | 36.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -29.7 | -176.1 | -67.6 | -175.2 | 128.7 | 0 | 0 | 113.3 | S899 L903 S904 | S899-E901 VanDerWaalsContact C-N 3.25Å; S899-E901 PolarHBondContact O-N 2.85Å; E901-L903 VanDerWaalsContact C-N 3.29Å; E901-L903 PolarHBondContact O-N 3.32Å; E901-S904 PolarHBondContact O-N 3.48Å; E901-S904 PolarHBondContact O-OG 3.36Å |
| 902 | Q | 38.3 | Very low | 34.6 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -70.5 | -23.2 | 178.7 | -69.2 | -177 | -18.9 | 0 | 0 | 113.3 | S899 S904 | S899-Q902 PolarHBondContact O-N 2.87Å; Q902-S904 VanDerWaalsContact C-N 3.3Å; Q902-S904 PolarHBondContact O-N 2.86Å |
| 903 | L | 37.3 | Very low | 34.9 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 54% | 0.539 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -71 | -23.3 | 178.6 | -72.3 | 164.5 | 0 | 0 | 0 | 113.1 | E901 | E901-L903 VanDerWaalsContact C-N 3.29Å; E901-L903 PolarHBondContact O-N 3.32Å |
| 904 | S | 35.4 | Very low | 35.1 | Very low | 77 Ų | 77 | 139 Ų | 139 | 54% | 0.538 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -72.1 | -32 | -179.1 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | E901 Q902 | E901-S904 PolarHBondContact O-N 3.48Å; E901-S904 PolarHBondContact O-OG 3.36Å; Q902-S904 VanDerWaalsContact C-N 3.3Å; Q902-S904 PolarHBondContact O-N 2.86Å |
| 905 | A | 36.4 | Very low | 35.5 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 55% | 0.554 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.3 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q907 K908 G909 | A905-Q907 VanDerWaalsContact C-N 3.28Å; A905-Q907 PolarHBondContact O-N 3.01Å; A905-K908 PolarHBondContact O-N 2.81Å; A905-G909 PolarHBondContact O-N 3Å |
| 906 | Q | 37.6 | Very low | 36.2 | Very low | 138 Ų | 138 | 125 Ų | 125 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.8 | -31.1 | 178.5 | -73.6 | -174.4 | -17.2 | 0 | 0 | 112.9 | G909 R910 | Q906-G909 PolarHBondContact O-N 2.94Å; Q906-R910 PolarHBondContact O-N 2.97Å |
| 907 | Q | 35.2 | Very low | 36.6 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.8 | -29.7 | 175.7 | -73.2 | -171.3 | -3.3 | 0 | 0 | 113.7 | A905 | A905-Q907 VanDerWaalsContact C-N 3.28Å; A905-Q907 PolarHBondContact O-N 3.01Å |
| 908 | K | 31.6 | Very low | 37.2 | Very low | 171 Ų | 171 | 117 Ų | 117 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.7 | -34.9 | 173.3 | -75.7 | -177.1 | 177.3 | 176.2 | 0 | 112.1 | A905 K911 | A905-K908 PolarHBondContact O-N 2.81Å; K908-K911 PolarHBondContact O-N 2.85Å |
| 909 | G | 33.9 | Very low | 38.2 | Very low | 41 Ų | 41 | 115.6 Ų | 115.6 | 42% | 0.423 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.4 | -52.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A905 Q906 K911 R912 E913 | A905-G909 PolarHBondContact O-N 3Å; Q906-G909 PolarHBondContact O-N 2.94Å; G909-K911 PolarHBondContact O-N 2.86Å; G909-K911 VanDerWaalsContact O-N 3.12Å; G909-R912 PolarHBondContact O-N 2.8Å; G909-E913 PolarHBondContact O-N 3.48Å |
| 910 | R | 36.2 | Very low | 39.1 | Very low | 188 Ų | 188 | 112.9 Ų | 112.9 | 71% | 0.709 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.9 | -25.3 | -179.7 | -79.9 | -179.2 | 164.2 | -179.2 | -4.1 | 114.7 | Q906 K914 | Q906-R910 PolarHBondContact O-N 2.97Å; R910-K914 PolarHBondContact O-N 2.9Å |
| 911 | K | 33.1 | Very low | 39.8 | Very low | 169 Ų | 169 | 112.6 Ų | 112.6 | 74% | 0.735 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.1 | -36.8 | 174.5 | -80.2 | -171.5 | 174 | -175.5 | 0 | 113.1 | K908 G909 A915 | K908-K911 PolarHBondContact O-N 2.85Å; G909-K911 PolarHBondContact O-N 2.86Å; G909-K911 VanDerWaalsContact O-N 3.12Å; K911-A915 PolarHBondContact O-N 3.5Å |
| 912 | R | 35.6 | Very low | 40.9 | Very low | 200 Ų | 200 | 107.2 Ų | 107.2 | 76% | 0.755 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.2 | -39.7 | 173.3 | -85.7 | -176.7 | 166.6 | -179.5 | -5.8 | 111.8 | G909 A915 Q916 | G909-R912 PolarHBondContact O-N 2.8Å; R912-A915 PolarHBondContact O-N 2.86Å; R912-Q916 PolarHBondContact O-N 2.84Å; R912-Q916 VanDerWaalsContact O-N 3.15Å |
| 913 | E | 34 | Very low | 41.8 | Very low | 124 Ų | 124 | 101.1 Ų | 101.1 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | -179.9 | -147.8 | 172.7 | -160.6 | 0 | 0 | 112.2 | G909 Q916 L917 | G909-E913 PolarHBondContact O-N 3.48Å; E913-Q916 PolarHBondContact O-N 2.91Å; E913-L917 PolarHBondContact O-N 2.97Å |
| 914 | K | 39.9 | Very low | 42.4 | Very low | 176 Ų | 176 | 97.7 Ų | 97.7 | 77% | 0.765 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -36 | 174.1 | -77.3 | -170.1 | 172.1 | -168.3 | 0 | 113.7 | R910 | R910-K914 PolarHBondContact O-N 2.9Å |
| 915 | A | 40.2 | Very low | 43.2 | Very low | 66 Ų | 66 | 101.6 Ų | 101.6 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K911 R912 G918 | K911-A915 PolarHBondContact O-N 3.5Å; R912-A915 PolarHBondContact O-N 2.86Å; A915-G918 PolarHBondContact O-N 3.44Å |
| 916 | Q | 45.2 | Very low | 43.6 | Very low | 89 Ų | 89 | 101.5 Ų | 101.5 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73 | -27.2 | -179.9 | -70.1 | -177.7 | -17.7 | 0 | 0 | 113.8 | R912 E913 G918 T919 L920 | R912-Q916 PolarHBondContact O-N 2.84Å; R912-Q916 VanDerWaalsContact O-N 3.15Å; E913-Q916 PolarHBondContact O-N 2.91Å; Q916-G918 VanDerWaalsContact C-N 3.26Å; Q916-G918 PolarHBondContact O-N 2.85Å; Q916-T919 PolarHBondContact O-N 3.34Å; Q916-L920 PolarHBondContact O-N 2.75Å |
| 917 | L | 40.9 | Very low | 43.8 | Very low | 94 Ų | 94 | 97.2 Ų | 97.2 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 168.8 | -112.5 | 84.4 | 0 | 0 | 0 | 111.7 | E913 T919 L920 D921 | E913-L917 PolarHBondContact O-N 2.97Å; L917-T919 VanDerWaalsContact C-N 3.31Å; L917-T919 PolarHBondContact O-N 3.32Å; L917-L920 PolarHBondContact O-N 2.7Å; L917-D921 PolarHBondContact O-N 3.18Å; L917-D921 VanDerWaalsContact O-N 3.08Å |
| 918 | G | 46.4 | Very low | 43.8 | Very low | 42 Ų | 42 | 95.1 Ų | 95.1 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A915 Q916 D921 A922 | A915-G918 PolarHBondContact O-N 3.44Å; Q916-G918 VanDerWaalsContact C-N 3.26Å; Q916-G918 PolarHBondContact O-N 2.85Å; G918-D921 PolarHBondContact O-N 3.29Å; G918-A922 PolarHBondContact O-N 2.76Å |
| 919 | T | 56.3 | Low | 43.7 | Very low | 69 Ų | 69 | 91.6 Ų | 91.6 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.3 | -41.8 | 0 | 0 | 0 | 0 | 111.5 | Q916 L917 A922 L923 | Q916-T919 PolarHBondContact O-N 3.34Å; L917-T919 VanDerWaalsContact C-N 3.31Å; L917-T919 PolarHBondContact O-N 3.32Å; T919-A922 WeakPolarHBondContact O-CB 3.28Å; T919-A922 PolarHBondContact O-N 3.5Å; T919-L923 WeakPolarHBondContact O-CG 3.48Å; T919-L923 PolarHBondContact O-N 3.35Å |
| 920 | L | 53.2 | Low | 43.5 | Very low | 27 Ų | 27 | 95.2 Ų | 95.2 | 14% | 0.141 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.2 | -69.6 | 168.4 | 0 | 0 | 0 | 111.9 | L721 Y755 Q916 L917 A922 L923 F924 | L721-L920 HydrophobicContact CD2-CD2 3.7Å; L721-L920 HydrophobicContact CG-CD2 3.97Å; Y755-L920 HydrophobicContact CD2-CD2 4.14Å; Y755-L920 HydrophobicContact CE2-CD2 4.04Å; Q916-L920 PolarHBondContact O-N 2.75Å; L917-L920 PolarHBondContact O-N 2.7Å; L920-A922 VanDerWaalsContact C-N 3.3Å; L920-A922 PolarHBondContact O-N 2.58Å; L920-L923 HydrophobicContact CD2-CD1 4.37Å; L920-L923 WeakPolarHBondContact O-CB 3.28Å; L920-L923 PolarHBondContact O-N 2.72Å; L920-F924 WeakPolarHBondContact O-CD2 3.44Å; L920-F924 PolarHBondContact O-N 2.81Å; L920-F924 VanDerWaalsContact O-N 3.07Å |
| 921 | D | 54.3 | Low | 43.2 | Very low | 78 Ų | 78 | 95.6 Ų | 95.6 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -30.3 | 175.8 | -84.1 | -30.8 | 0 | 0 | 0 | 113 | L917 G918 K925 | L917-D921 PolarHBondContact O-N 3.18Å; L917-D921 VanDerWaalsContact O-N 3.08Å; G918-D921 PolarHBondContact O-N 3.29Å; D921-K925 WeakPolarHBondContact O-CG 3.41Å; D921-K925 PolarHBondContact O-N 3.13Å; D921-K925 VanDerWaalsContact O-N 3.12Å |
| 922 | A | 57.6 | Low | 43 | Very low | 57 Ų | 57 | 92.1 Ų | 92.1 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | G918 T919 L920 F924 K925 S926 | G918-A922 PolarHBondContact O-N 2.76Å; T919-A922 WeakPolarHBondContact O-CB 3.28Å; T919-A922 PolarHBondContact O-N 3.5Å; L920-A922 VanDerWaalsContact C-N 3.3Å; L920-A922 PolarHBondContact O-N 2.58Å; A922-F924 VanDerWaalsContact C-N 3.33Å; A922-F924 PolarHBondContact O-N 3.02Å; A922-K925 PolarHBondContact O-N 3.38Å; A922-S926 PolarHBondContact O-N 2.93Å; A922-S926 PolarHBondContact O-OG 3.48Å |
| 923 | L | 56.9 | Low | 42.5 | Very low | 6 Ų | 6 | 89 Ų | 89 | 3% | 0.031 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 173.9 | -76.1 | 166.2 | 0 | 0 | 0 | 111.7 | R754 Y755 T919 L920 S926 T927 | R754-L923 VanDerWaalsContact CD-CD2 3.41Å; R754-L923 HydrophobicContact CG-CD2 4.02Å; Y755-L923 HydrophobicContact CD2-CD1 4.08Å; T919-L923 WeakPolarHBondContact O-CG 3.48Å; T919-L923 PolarHBondContact O-N 3.35Å; L920-L923 HydrophobicContact CD2-CD1 4.37Å; L920-L923 WeakPolarHBondContact O-CB 3.28Å; L920-L923 PolarHBondContact O-N 2.72Å; L923-S926 PolarHBondContact O-OG 2.85Å; L923-T927 PolarHBondContact O-OG1 2.77Å |
| 924 | F | 50.6 | Low | 42.2 | Very low | 31 Ų | 31 | 89.8 Ų | 89.8 | 14% | 0.136 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 174.9 | -91.2 | -79.2 | 0 | 0 | 0 | 112.9 | L717 R718 L721 L920 A922 S926 T927 T928 | L717-F924 HydrophobicContact CD2-CE1 4.02Å; L717-F924 HydrophobicContact CD2-CZ 4.24Å; L717-F924 HydrophobicContact CG-CE1 4.39Å; L717-F924 HydrophobicContact CG-CZ 4.14Å; R718-F924 HydrophobicContact CB-CE2 4.34Å; R718-F924 HydrophobicContact CB-CZ 4.23Å; R718-F924 HydrophobicContact CG-CD2 4.16Å; R718-F924 HydrophobicContact CG-CE1 4.09Å; R718-F924 HydrophobicContact CG-CE2 3.42Å; R718-F924 VanDerWaalsContact CG-CE2 3.42Å; R718-F924 HydrophobicContact CG-CZ 3.39Å; L721-F924 HydrophobicContact CD2-CE2 3.89Å; L721-F924 HydrophobicContact CD2-CZ 4.47Å; L920-F924 WeakPolarHBondContact O-CD2 3.44Å; L920-F924 PolarHBondContact O-N 2.81Å; L920-F924 VanDerWaalsContact O-N 3.07Å; A922-F924 VanDerWaalsContact C-N 3.33Å; A922-F924 PolarHBondContact O-N 3.02Å; F924-S926 VanDerWaalsContact C-N 3.34Å; F924-S926 PolarHBondContact O-N 3.17Å; F924-T927 PolarHBondContact O-N 3.2Å; F924-T928 PolarHBondContact O-OG1 3.1Å |
| 925 | K | 52.7 | Low | 41.5 | Very low | 159 Ų | 159 | 88.2 Ų | 88.2 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | -178.4 | -75 | 174.9 | 179.8 | -179.6 | 0 | 113.4 | D921 A922 T927 | D921-K925 WeakPolarHBondContact O-CG 3.41Å; D921-K925 PolarHBondContact O-N 3.13Å; D921-K925 VanDerWaalsContact O-N 3.12Å; A922-K925 PolarHBondContact O-N 3.38Å; K925-T927 PolarHBondContact O-N 3.17Å |
| 926 | S | 44.4 | Very low | 40.8 | Very low | 64 Ų | 64 | 90.5 Ų | 90.5 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.6 | -177.5 | 67.5 | 0 | 0 | 0 | 0 | 115.3 | R754 A922 L923 F924 | R754-S926 PolarHBondContact NH1-OG 3.24Å; A922-S926 PolarHBondContact O-N 2.93Å; A922-S926 PolarHBondContact O-OG 3.48Å; L923-S926 PolarHBondContact O-OG 2.85Å; F924-S926 VanDerWaalsContact C-N 3.34Å; F924-S926 PolarHBondContact O-N 3.17Å |
| 927 | T | 41.3 | Very low | 39.9 | Very low | 49 Ų | 49 | 92.7 Ų | 92.7 | 30% | 0.301 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.4 | -11.3 | -168.5 | -45.5 | 0 | 0 | 0 | 0 | 113 | V751 R754 L923 F924 K925 | V751-T927 HydrophobicContact CG2-CG2 4.29Å; R754-T927 PolarHBondContact NH1-OG1 2.79Å; L923-T927 PolarHBondContact O-OG1 2.77Å; F924-T927 PolarHBondContact O-N 3.2Å; K925-T927 PolarHBondContact O-N 3.17Å |
| 928 | T | 35.4 | Very low | 39.3 | Very low | 97 Ų | 97 | 92.3 Ų | 92.3 | 60% | 0.595 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -103.6 | 10.7 | -176.8 | 47 | 0 | 0 | 0 | 0 | 115.3 | F924 T930 | F924-T928 PolarHBondContact O-OG1 3.1Å; T928-T930 PolarHBondContact O-N 2.73Å |
| 929 | S | 30.4 | Very low | 38.4 | Very low | 98 Ų | 98 | 99.6 Ų | 99.6 | 69% | 0.685 | 59% | 0.587 | S | S | * | * | trans | -92.7 | 18 | -170.8 | 71.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 930 | T | 29.2 | Very low | 37 | Very low | 116 Ų | 116 | 99.9 Ų | 99.9 | 71% | 0.712 | 60% | 0.597 | S | S | * | * | trans | -141.1 | 76.5 | -175.9 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | T928 | T928-T930 PolarHBondContact O-N 2.73Š| ||
| 931 | Q | 30.1 | Very low | 35.8 | Very low | 196 Ų | 196 | 102.8 Ų | 102.8 | 92% | 0.916 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -175.1 | 129.5 | 136.3 | -103.9 | 168.7 | 11.2 | 0 | 0 | 113.4 | ||
| 932 | A | 28.9 | Very low | 34.7 | Very low | 96 Ų | 96 | 107.6 Ų | 107.6 | 79% | 0.793 | 64% | 0.639 | S | S | * | * | trans | 29.9 | 121.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 933 | T | 23.8 | Very low | 33.3 | Very low | 135 Ų | 135 | 111.5 Ų | 111.5 | 83% | 0.828 | 65% | 0.652 | S | S | * | * | trans | -65.8 | 128.4 | 158.1 | 46.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 934 | V | 29.2 | Very low | 32.1 | Very low | 140 Ų | 140 | 116.1 Ų | 116.1 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | trans | -142.1 | 130.7 | 151.7 | -179 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 935 | D | 25.3 | Very low | 31.4 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | trans | -81.4 | 152.2 | -172.3 | -67.9 | -63.9 | 0 | 0 | 0 | 114.8 | ||||
| 936 | S | 24.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | 72.6 | 154.5 | 156.6 | 75.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 937 | V | 26.4 | Very low | 30.1 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | 96.3 | 111.9 | -179.9 | -171 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 938 | S | 28.7 | Very low | 29.8 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | 65.7 | 75 | 161.8 | 73.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 939 | E | 26.4 | Very low | 29.8 | Very low | 196 Ų | 196 | 118.4 Ų | 118.4 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -79.1 | 8.2 | 142.4 | -74.5 | -174.1 | 134.5 | 0 | 0 | 112.4 | S941 | E939-S941 PolarHBondContact O-N 3.26Š|
| 940 | A | 26.9 | Very low | 29.9 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 3 | -169 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 941 | S | 29.4 | Very low | 30 | Very low | 88 Ų | 88 | 121.8 Ų | 121.8 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 0.7 | -171.8 | 50.3 | 0 | 0 | 0 | 0 | 115.3 | E939 | E939-S941 PolarHBondContact O-N 3.26Š|
| 942 | Q | 30.7 | Very low | 30 | Very low | 178 Ų | 178 | 118.3 Ų | 118.3 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -107.4 | -8.5 | -179.4 | -67.2 | -170.2 | -3.1 | 0 | 0 | 115.4 | ||
| 943 | D | 28.7 | Very low | 29.9 | Very low | 140 Ų | 140 | 117.8 Ų | 117.8 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -114.7 | 14.7 | -178.4 | -81.1 | -40.6 | 0 | 0 | 0 | 114.5 | P946 | D943-P946 WeakPolarHBondContact O-CD 3.48Å; D943-P946 WeakPolarHBondContact O-CG 3.5Å |
| 944 | L | 30.8 | Very low | 30 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 53% | 0.534 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -76.4 | 134.4 | 171.6 | -67.7 | 161.9 | 0 | 0 | 0 | 109.9 | ||
| 945 | F | 36.6 | Very low | 29.8 | Very low | 79 Ų | 79 | 117.2 Ų | 117.2 | 35% | 0.346 | 67% | 0.674 | S | S | . | * | trans | 76.1 | 49.7 | -173.2 | -39.4 | -65.2 | 0 | 0 | 0 | 119.6 | H423 N424 N947 V949 | H423-F945 HydrophobicContact CB-CD1 4.43Å; H423-F945 HydrophobicContact CB-CE1 3.7Å; H423-F945 HydrophobicContact CB-CZ 4.37Å; N424-F945 HydrophobicContact CB-CE1 4.46Å; F945-N947 PolarHBondContact O-N 3.42Å; F945-V949 HydrophobicContact CB-CG2 4.41Å | ||
| 946 | P | 33.4 | Very low | 29.9 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 69% | 0.688 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -20.2 | 173.7 | -20.3 | 33.4 | 0 | 0 | 0 | 115.4 | D943 | D943-P946 WeakPolarHBondContact O-CD 3.48Å; D943-P946 WeakPolarHBondContact O-CG 3.5Å |
| 947 | N | 36.2 | Very low | 30 | Very low | 154 Ų | 154 | 116.4 Ų | 116.4 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 2.2 | -161.1 | -68.3 | -11.3 | 0 | 0 | 0 | 116 | F945 | F945-N947 PolarHBondContact O-N 3.42Š|
| 948 | M | 35.2 | Very low | 30 | Very low | 64 Ų | 64 | 120 Ų | 120 | 32% | 0.315 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.7 | -5.2 | -176.8 | -79.6 | -170.5 | 69.3 | 0 | 0 | 115.7 | K659 M662 | K659-M948 HydrophobicContact CD-CE 4.36Å; M662-M948 HydrophobicContact CE-CE 3.84Å; M662-M948 HydrophobicContact CE-SD 4.47Å |
| 949 | V | 34.6 | Very low | 30.1 | Very low | 45 Ų | 45 | 123.5 Ų | 123.5 | 27% | 0.273 | 68% | 0.679 | S | S | . | * | B | Isolated β-bridge | trans | -102.5 | 115.3 | -179.9 | -177 | 0 | 0 | 0 | 0 | 109 | Y664 F945 K951 | Y664-V949 HydrophobicContact CD2-CG1 4.16Å; Y664-V949 HydrophobicContact CE2-CG2 4.19Å; F945-V949 HydrophobicContact CB-CG2 4.41Å; V949-K951 PolarHBondContact O-N 3.01Å |
| 950 | C | 32.3 | Very low | 30.4 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 58% | 0.581 | 68% | 0.676 | S | S | * | * | trans | -63 | 109.2 | 163 | -76.7 | 0 | 0 | 0 | 0 | 108.2 | D952 | C950-D952 PolarHBondContact O-N 3.04Š| ||
| 951 | K | 31.9 | Very low | 31.1 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 87% | 0.865 | 68% | 0.676 | S | S | * | * | trans | -59.7 | 123.6 | 161.9 | -72.6 | -179.5 | 177.4 | 175.9 | 0 | 106.9 | V949 A953 | V949-K951 PolarHBondContact O-N 3.01Å; K951-A953 VanDerWaalsContact C-N 3.33Å; K951-A953 PolarHBondContact O-N 3.36Å | ||
| 952 | D | 30.8 | Very low | 32.9 | Very low | 124 Ų | 124 | 123 Ų | 123 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | trans | -58.1 | 99.2 | 171 | -74.7 | -47.1 | 0 | 0 | 0 | 108.7 | C950 | C950-D952 PolarHBondContact O-N 3.04Š| ||
| 953 | A | 25.9 | Very low | 35.2 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | trans | -62.9 | 123.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | K951 | K951-A953 VanDerWaalsContact C-N 3.33Å; K951-A953 PolarHBondContact O-N 3.36Å | ||
| 954 | P | 26.8 | Very low | 38 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 72% | 0.721 | 63% | 0.625 | S | S | * | * | trans | -56.3 | 150.8 | 167.8 | 28.2 | -34.2 | 0 | 0 | 0 | 107.5 | A956 | P954-A956 PolarHBondContact O-N 2.66Š| ||
| 955 | T | 24.8 | Very low | 40.3 | Very low | 153 Ų | 153 | 114.8 Ų | 114.8 | 94% | 0.939 | 63% | 0.626 | S | S | * | * | trans | -61.4 | 77.5 | 177.4 | 37.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 956 | A | 27 | Very low | 42.5 | Very low | 85 Ų | 85 | 114.5 Ų | 114.5 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | trans | -81.5 | 117.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | P954 | P954-A956 PolarHBondContact O-N 2.66Š| ||
| 957 | E | 26.4 | Very low | 45.3 | Very low | 155 Ų | 155 | 111.7 Ų | 111.7 | 72% | 0.724 | 61% | 0.607 | S | S | * | * | trans | -40.7 | 143.5 | 152.9 | -59.4 | 170 | 143.6 | 0 | 0 | 108.8 | Q959 | E957-Q959 PolarHBondContact O-N 3.42Š| ||
| 958 | K | 27.1 | Very low | 47.9 | Very low | 209 Ų | 209 | 105.9 Ų | 105.9 | 91% | 0.909 | 57% | 0.574 | S | S | * | * | trans | -61.3 | 82.4 | 171.3 | -78.2 | -179.3 | 173.1 | -179.5 | 0 | 109.7 | E960 | K958-E960 PolarHBondContact O-N 2.59Å; K958-E960 VanDerWaalsContact O-N 3.12Å | ||
| 959 | Q | 29.5 | Very low | 50.2 | Low | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 59% | 0.586 | S | S | * | * | trans | -76.4 | 97.6 | 165.1 | -71.2 | -169.4 | -2.8 | 0 | 0 | 106.2 | E957 I961 | E957-Q959 PolarHBondContact O-N 3.42Å; Q959-I961 PolarHBondContact O-N 2.95Å; Q959-I961 VanDerWaalsContact O-N 3.09Å | ||
| 960 | E | 33.3 | Very low | 52.7 | Low | 182 Ų | 182 | 109.9 Ų | 109.9 | 85% | 0.85 | 61% | 0.605 | S | S | * | * | trans | -46.5 | 117.4 | 163.6 | -62.9 | 179.8 | 148.6 | 0 | 0 | 107.9 | K958 A962 | K958-E960 PolarHBondContact O-N 2.59Å; K958-E960 VanDerWaalsContact O-N 3.12Å; E960-A962 PolarHBondContact O-N 3.46Å | ||
| 961 | I | 40.8 | Very low | 55.4 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 63% | 0.631 | 59% | 0.591 | S | S | * | * | trans | -61.1 | 110.6 | 175.2 | -63.2 | 173.2 | 0 | 0 | 0 | 105.9 | Q959 Q965 | Q959-I961 PolarHBondContact O-N 2.95Å; Q959-I961 VanDerWaalsContact O-N 3.09Å; I961-Q965 HydrophobicContact CG2-CB 4.3Å | ||
| 962 | A | 67.5 | Low | 58 | Low | 45 Ų | 45 | 105.5 Ų | 105.5 | 37% | 0.372 | 58% | 0.575 | S | S | . | * | trans | -57.9 | 130.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | E960 F964 Q965 | E960-A962 PolarHBondContact O-N 3.46Å; A962-F964 PolarHBondContact O-N 2.8Å; A962-Q965 WeakPolarHBondContact O-CB 3.42Å; A962-Q965 PolarHBondContact O-N 2.76Å | ||
| 963 | P | 79.1 | Confident | 60.6 | Low | 89 Ų | 89 | 107.8 Ų | 107.8 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -52.4 | -23.4 | -174.6 | -33.8 | 38 | 0 | 0 | 0 | 115.8 | W967 Y997 | P963-W967 WeakPolarHBondContact O-CB 3.41Å; P963-W967 PolarHBondContact O-N 3.37Å; P963-Y997 VanDerWaalsContact CB-OH 3.3Å; P963-Y997 WeakPolarHBondContact CB-OH 3.28Å |
| 964 | F | 87.2 | Confident | 63.5 | Low | 36 Ų | 36 | 107 Ų | 107 | 16% | 0.158 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -67 | -35.8 | 171.7 | 173.1 | -106.7 | 0 | 0 | 0 | 114.1 | A962 W967 F968 I990 A993 L994 Y997 | A962-F964 PolarHBondContact O-N 2.8Å; F964-W967 HydrophobicContact CD2-CE3 4.11Å; F964-W967 HydrophobicContact CD2-CZ3 4.45Å; F964-W967 HydrophobicContact CE2-CE3 4.13Å; F964-W967 HydrophobicContact CE2-CZ3 4.08Å; F964-F968 HydrophobicContact CE1-CB 4.43Å; F964-F968 HydrophobicContact CE2-CB 4.26Å; F964-F968 HydrophobicContact CZ-CB 4.13Å; F964-F968 HydrophobicContact CZ-CD2 4.41Å; F964-F968 HydrophobicContact CZ-CG 4.24Å; F964-F968 WeakPolarHBondContact O-CB 3.24Å; F964-F968 PolarHBondContact O-N 2.84Å; F964-I990 HydrophobicContact CE1-CG2 4.39Å; F964-I990 HydrophobicContact CZ-CG2 4.4Å; F964-A993 HydrophobicContact CE2-CB 3.99Å; F964-A993 HydrophobicContact CZ-CB 3.91Å; F964-L994 HydrophobicContact CD1-CD2 4.06Å; F964-L994 HydrophobicContact CD2-CD2 3.72Å; F964-L994 HydrophobicContact CD2-CG 4.37Å; F964-L994 HydrophobicContact CE1-CD2 4.01Å; F964-L994 HydrophobicContact CE1-CG 4.15Å; F964-L994 HydrophobicContact CE2-CB 4.46Å; F964-L994 HydrophobicContact CE2-CD2 3.67Å; F964-L994 HydrophobicContact CE2-CG 3.8Å; F964-L994 HydrophobicContact CG-CD2 3.92Å; F964-L994 HydrophobicContact CZ-CD2 3.82Å; F964-L994 HydrophobicContact CZ-CG 3.68Å; F964-Y997 HydrophobicContact CB-CD1 4.19Å; F964-Y997 HydrophobicContact CB-CE1 4.04Å; F964-Y997 AromaticContact CD2-CD1 3.85Å; F964-Y997 HydrophobicContact CD2-CD1 3.85Å; F964-Y997 HydrophobicContact CD2-CD2 4.46Å; F964-Y997 AromaticContact CD2-CG 3.83Å; F964-Y997 HydrophobicContact CD2-CG 3.83Å; F964-Y997 HydrophobicContact CG-CD1 4.48Å |
| 965 | Q | 79.9 | Confident | 66.4 | Low | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.9 | -44.7 | -177 | -72.2 | -178.4 | -19.1 | 0 | 0 | 111.7 | I961 A962 F968 A969 | I961-Q965 HydrophobicContact CG2-CB 4.3Å; A962-Q965 WeakPolarHBondContact O-CB 3.42Å; A962-Q965 PolarHBondContact O-N 2.76Å; Q965-F968 PolarHBondContact O-N 2.92Å; Q965-A969 PolarHBondContact O-N 2.79Å |
| 966 | T | 83.3 | Confident | 69.3 | Low | 72 Ų | 72 | 97.7 Ų | 97.7 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -53.5 | 174 | -28.2 | 0 | 0 | 0 | 0 | 109.9 | F968 A969 D970 | T966-F968 VanDerWaalsContact C-N 3.29Å; T966-F968 PolarHBondContact O-N 3.19Å; T966-A969 WeakPolarHBondContact O-CB 3.26Å; T966-A969 PolarHBondContact O-N 2.84Å; T966-A969 VanDerWaalsContact O-N 3.07Å; T966-D970 VanDerWaalsContact O-CG 3.25Å; T966-D970 PolarHBondContact O-N 2.86Å |
| 967 | W | 90.9 | Very high | 72.1 | Confident | 47 Ų | 47 | 102.8 Ų | 102.8 | 18% | 0.178 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -56.9 | -39.6 | 178 | 177.6 | 90.7 | 0 | 0 | 0 | 113.3 | P963 F964 D970 N971 I975 A993 Q996 Y997 | P963-W967 WeakPolarHBondContact O-CB 3.41Å; P963-W967 PolarHBondContact O-N 3.37Å; F964-W967 HydrophobicContact CD2-CE3 4.11Å; F964-W967 HydrophobicContact CD2-CZ3 4.45Å; F964-W967 HydrophobicContact CE2-CE3 4.13Å; F964-W967 HydrophobicContact CE2-CZ3 4.08Å; W967-D970 PolarHBondContact O-N 2.92Å; W967-N971 HydrophobicContact CZ2-CB 4.3Å; W967-N971 PolarHBondContact NE1-ND2 2.81Å; W967-N971 WeakPolarHBondContact O-CB 3.07Å; W967-N971 PolarHBondContact O-N 2.89Å; W967-N971 PolarHBondContact O-ND2 3.45Å; W967-I975 HydrophobicContact CE3-CD1 4.39Å; W967-I975 HydrophobicContact CH2-CD1 3.54Å; W967-I975 HydrophobicContact CH2-CG1 4.26Å; W967-I975 HydrophobicContact CZ2-CD1 4.45Å; W967-I975 HydrophobicContact CZ3-CD1 3.5Å; W967-A993 HydrophobicContact CZ3-CB 4.35Å; W967-A993 WeakPolarHBondContact CZ3-O 3.25Å; W967-Q996 HydrophobicContact CH2-CB 3.74Å; W967-Q996 HydrophobicContact CZ2-CB 4.31Å; W967-Y997 HydrophobicContact CB-CD2 4.03Å; W967-Y997 HydrophobicContact CB-CE2 3.87Å; W967-Y997 AromaticContact CD1-CD2 3.97Å; W967-Y997 AromaticContact CD2-CD2 3.38Å; W967-Y997 HydrophobicContact CD2-CD2 3.38Å; W967-Y997 HydrophobicContact CD2-CE2 4.12Å; W967-Y997 HydrophobicContact CD2-CG 4.2Å; W967-Y997 AromaticContact CE2-CD2 3.83Å; W967-Y997 AromaticContact CE3-CD2 3.67Å; W967-Y997 HydrophobicContact CE3-CD2 3.67Å; W967-Y997 HydrophobicContact CE3-CG 4.06Å; W967-Y997 AromaticContact CG-CD2 3.51Å; W967-Y997 HydrophobicContact CG-CD2 3.51Å; W967-Y997 AromaticContact CG-CE2 3.75Å; W967-Y997 HydrophobicContact CG-CE2 3.75Å; W967-Y997 HydrophobicContact CZ2-CD2 4.49Å; W967-Y997 HydrophobicContact CZ3-CD2 4.36Å; W967-Y997 HydrophobicContact CZ3-CG 4.42Å |
| 968 | F | 90.7 | Very high | 74.8 | Confident | 33 Ų | 33 | 98.9 Ų | 98.9 | 15% | 0.145 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -70.8 | -32.3 | 178.9 | 179.2 | -115.5 | 0 | 0 | 0 | 112.7 | F964 Q965 T966 R972 I975 L989 A993 | F964-F968 HydrophobicContact CE1-CB 4.43Å; F964-F968 HydrophobicContact CE2-CB 4.26Å; F964-F968 HydrophobicContact CZ-CB 4.13Å; F964-F968 HydrophobicContact CZ-CD2 4.41Å; F964-F968 HydrophobicContact CZ-CG 4.24Å; F964-F968 WeakPolarHBondContact O-CB 3.24Å; F964-F968 PolarHBondContact O-N 2.84Å; Q965-F968 PolarHBondContact O-N 2.92Å; T966-F968 VanDerWaalsContact C-N 3.29Å; T966-F968 PolarHBondContact O-N 3.19Å; F968-R972 WeakPolarHBondContact O-CA 3.47Å; F968-R972 WeakPolarHBondContact O-CB 3.2Å; F968-R972 PolarHBondContact O-N 3.06Å; F968-I975 HydrophobicContact CD2-CD1 3.71Å; F968-I975 HydrophobicContact CE2-CD1 4.14Å; F968-I975 HydrophobicContact CE2-CG2 4.27Å; F968-L989 HydrophobicContact CZ-CD2 4.42Å; F968-A993 HydrophobicContact CD2-CB 3.5Å; F968-A993 VanDerWaalsContact CD2-CB 3.5Å; F968-A993 HydrophobicContact CE2-CB 3.56Å |
| 969 | A | 85.3 | Confident | 77.7 | Confident | 67 Ų | 67 | 90.4 Ų | 90.4 | 55% | 0.554 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.6 | -49.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q965 T966 N971 R972 | Q965-A969 PolarHBondContact O-N 2.79Å; T966-A969 WeakPolarHBondContact O-CB 3.26Å; T966-A969 PolarHBondContact O-N 2.84Å; T966-A969 VanDerWaalsContact O-N 3.07Å; A969-N971 VanDerWaalsContact C-N 3.31Å; A969-N971 PolarHBondContact O-N 3.2Å; A969-R972 PolarHBondContact O-N 2.9Å |
| 970 | D | 87.1 | Confident | 80 | Confident | 126 Ų | 126 | 89 Ų | 89 | 67% | 0.674 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.8 | -30 | -177.2 | -58.4 | -25.9 | 0 | 0 | 0 | 113.2 | T966 W967 | T966-D970 VanDerWaalsContact O-CG 3.25Å; T966-D970 PolarHBondContact O-N 2.86Å; W967-D970 PolarHBondContact O-N 2.92Å |
| 971 | N | 88.2 | Confident | 82 | Confident | 56 Ų | 56 | 82 Ų | 82 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8.4 | -176.3 | -68.3 | -96.4 | 0 | 0 | 0 | 113.7 | W967 A969 E973 T974 I975 | W967-N971 HydrophobicContact CZ2-CB 4.3Å; W967-N971 PolarHBondContact NE1-ND2 2.81Å; W967-N971 WeakPolarHBondContact O-CB 3.07Å; W967-N971 PolarHBondContact O-N 2.89Å; W967-N971 PolarHBondContact O-ND2 3.45Å; A969-N971 VanDerWaalsContact C-N 3.31Å; A969-N971 PolarHBondContact O-N 3.2Å; N971-E973 PolarHBondContact O-N 3.42Å; N971-T974 PolarHBondContact O-N 3.19Å; N971-I975 HydrophobicContact CB-CD1 3.8Å; N971-I975 HydrophobicContact CB-CG1 4.27Å; N971-I975 WeakPolarHBondContact O-CD1 3.46Å; N971-I975 VanDerWaalsContact O-CG1 3.26Å; N971-I975 WeakPolarHBondContact O-CG1 3.23Å; N971-I975 PolarHBondContact O-N 3.24Å |
| 972 | R | 87.5 | Confident | 83.6 | Confident | 137 Ų | 137 | 81.3 Ų | 81.3 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -55.1 | -45.3 | -169.3 | -172.3 | 176.1 | 180 | 136.7 | 4.3 | 113.5 | F968 A969 I975 V976 | F968-R972 WeakPolarHBondContact O-CA 3.47Å; F968-R972 WeakPolarHBondContact O-CB 3.2Å; F968-R972 PolarHBondContact O-N 3.06Å; A969-R972 PolarHBondContact O-N 2.9Å; R972-I975 PolarHBondContact O-N 3.16Å; R972-V976 HydrophobicContact CG-CG2 4.4Å; R972-V976 VanDerWaalsContact O-CG2 3.31Å; R972-V976 WeakPolarHBondContact O-CG2 3.41Å; R972-V976 PolarHBondContact O-N 3.34Å |
| 973 | E | 84.7 | Confident | 83.5 | Confident | 172 Ų | 172 | 82.9 Ų | 82.9 | 80% | 0.804 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | -176.5 | -61 | -171.2 | 162.2 | 0 | 0 | 111.9 | N971 I975 V976 R977 | N971-E973 PolarHBondContact O-N 3.42Å; E973-I975 VanDerWaalsContact C-N 3.35Å; E973-I975 PolarHBondContact O-N 2.91Å; E973-V976 PolarHBondContact O-N 3.17Å; E973-R977 WeakPolarHBondContact O-CB 3.44Å; E973-R977 PolarHBondContact O-N 2.92Å |
| 974 | T | 85.9 | Confident | 83.3 | Confident | 67 Ų | 67 | 84 Ų | 84 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 176 | -43.4 | 0 | 0 | 0 | 0 | 111.2 | N971 V976 R977 D978 | N971-T974 PolarHBondContact O-N 3.19Å; T974-V976 PolarHBondContact O-N 2.91Å; T974-R977 PolarHBondContact O-N 2.88Å; T974-D978 WeakPolarHBondContact O-CB 3.36Å; T974-D978 VanDerWaalsContact O-CG 3.26Å; T974-D978 PolarHBondContact O-N 3.19Å |
| 975 | I | 87.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 86 Ų | 86 | 4% | 0.036 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | -179.9 | -64.6 | 165.8 | 0 | 0 | 0 | 111.3 | W967 F968 N971 R972 E973 F979 L989 F992 A993 | W967-I975 HydrophobicContact CE3-CD1 4.39Å; W967-I975 HydrophobicContact CH2-CD1 3.54Å; W967-I975 HydrophobicContact CH2-CG1 4.26Å; W967-I975 HydrophobicContact CZ2-CD1 4.45Å; W967-I975 HydrophobicContact CZ3-CD1 3.5Å; F968-I975 HydrophobicContact CD2-CD1 3.71Å; F968-I975 HydrophobicContact CE2-CD1 4.14Å; F968-I975 HydrophobicContact CE2-CG2 4.27Å; N971-I975 HydrophobicContact CB-CD1 3.8Å; N971-I975 HydrophobicContact CB-CG1 4.27Å; N971-I975 WeakPolarHBondContact O-CD1 3.46Å; N971-I975 VanDerWaalsContact O-CG1 3.26Å; N971-I975 WeakPolarHBondContact O-CG1 3.23Å; N971-I975 PolarHBondContact O-N 3.24Å; R972-I975 PolarHBondContact O-N 3.16Å; E973-I975 VanDerWaalsContact C-N 3.35Å; E973-I975 PolarHBondContact O-N 2.91Å; I975-F979 WeakPolarHBondContact O-CB 3.4Å; I975-F979 PolarHBondContact O-N 2.93Å; I975-F979 VanDerWaalsContact O-N 3.16Å; I975-L989 HydrophobicContact CG2-CD1 4.01Å; I975-F992 HydrophobicContact CG2-CD1 3.8Å; I975-F992 HydrophobicContact CG2-CE1 4.18Å; I975-F992 WeakPolarHBondContact O-CE1 3.36Å; I975-A993 HydrophobicContact CD1-CB 4.08Å; I975-A993 HydrophobicContact CG2-CB 3.99Å |
| 976 | V | 87 | Confident | 83.1 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 38% | 0.376 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 176.4 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | R972 E973 T974 L989 | R972-V976 HydrophobicContact CG-CG2 4.4Å; R972-V976 VanDerWaalsContact O-CG2 3.31Å; R972-V976 WeakPolarHBondContact O-CG2 3.41Å; R972-V976 PolarHBondContact O-N 3.34Å; E973-V976 PolarHBondContact O-N 3.17Å; T974-V976 PolarHBondContact O-N 2.91Å; V976-L989 HydrophobicContact CG2-CD1 4.14Å; V976-L989 HydrophobicContact CG2-CD2 4.1Å |
| 977 | R | 85.5 | Confident | 83.1 | Confident | 191 Ų | 191 | 90.2 Ų | 90.2 | 72% | 0.721 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.6 | -40 | 177.9 | -169.5 | -169.1 | 68.5 | -172.6 | -2.8 | 112.9 | E973 T974 F979 | E973-R977 WeakPolarHBondContact O-CB 3.44Å; E973-R977 PolarHBondContact O-N 2.92Å; T974-R977 PolarHBondContact O-N 2.88Å; R977-F979 VanDerWaalsContact C-N 3.33Å |
| 978 | D | 83 | Confident | 82.7 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -86.9 | -5.6 | -175.4 | -60.6 | -3.7 | 0 | 0 | 0 | 112.3 | T974 F992 | T974-D978 WeakPolarHBondContact O-CB 3.36Å; T974-D978 VanDerWaalsContact O-CG 3.26Å; T974-D978 PolarHBondContact O-N 3.19Å; D978-F992 HydrophobicContact CB-CE1 4.24Å; D978-F992 HydrophobicContact CB-CZ 4.11Å; D978-F992 VanDerWaalsContact O-CZ 3.29Å; D978-F992 WeakPolarHBondContact O-CZ 3.45Å |
| 979 | F | 88 | Confident | 82.6 | Confident | 30 Ų | 30 | 88.2 Ų | 88.2 | 13% | 0.132 | 48% | 0.479 | C | S | . | . | trans | -83.8 | 110.8 | 178.7 | 179.6 | -115.8 | 0 | 0 | 0 | 112.1 | I975 R977 G981 A988 L989 F992 | I975-F979 WeakPolarHBondContact O-CB 3.4Å; I975-F979 PolarHBondContact O-N 2.93Å; I975-F979 VanDerWaalsContact O-N 3.16Å; R977-F979 VanDerWaalsContact C-N 3.33Å; F979-G981 VanDerWaalsContact CE1-C 3.42Å; F979-G981 VanDerWaalsContact CE1-CA 3.47Å; F979-G981 PolarHBondContact O-N 2.88Å; F979-A988 HydrophobicContact CE2-CB 4.19Å; F979-A988 HydrophobicContact CZ-CB 3.62Å; F979-L989 HydrophobicContact CB-CD1 4.04Å; F979-L989 HydrophobicContact CD1-CD1 3.88Å; F979-L989 HydrophobicContact CD2-CD1 4.49Å; F979-L989 HydrophobicContact CE1-CB 4.43Å; F979-L989 HydrophobicContact CE1-CD1 4.43Å; F979-L989 HydrophobicContact CG-CD1 3.9Å; F979-F992 HydrophobicContact CB-CD1 3.77Å; F979-F992 HydrophobicContact CB-CE1 3.84Å; F979-F992 HydrophobicContact CD2-CB 3.62Å; F979-F992 AromaticContact CD2-CD1 3.72Å; F979-F992 HydrophobicContact CD2-CD1 3.72Å; F979-F992 HydrophobicContact CD2-CD2 4.3Å; F979-F992 HydrophobicContact CD2-CE1 4.44Å; F979-F992 AromaticContact CD2-CG 3.64Å; F979-F992 HydrophobicContact CD2-CG 3.64Å; F979-F992 HydrophobicContact CE2-CB 3.92Å; F979-F992 HydrophobicContact CE2-CG 4.39Å; F979-F992 HydrophobicContact CG-CD1 4.18Å | ||
| 980 | S | 77.4 | Confident | 82.7 | Confident | 130 Ų | 130 | 88.4 Ų | 88.4 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | trans | -78.8 | 8.5 | 179.6 | 57.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 981 | G | 76.3 | Confident | 82.7 | Confident | 37 Ų | 37 | 90.3 Ų | 90.3 | 38% | 0.381 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -97.9 | 177 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F979 S983 | F979-G981 VanDerWaalsContact CE1-C 3.42Å; F979-G981 VanDerWaalsContact CE1-CA 3.47Å; F979-G981 PolarHBondContact O-N 2.88Å; G981-S983 PolarHBondContact O-N 3.02Å |
| 982 | N | 73.3 | Confident | 82.8 | Confident | 107 Ų | 107 | 90.3 Ų | 90.3 | 57% | 0.572 | 47% | 0.47 | S | S | * | . | trans | -68.9 | 117.8 | 173.2 | -176.1 | -0 | 0 | 0 | 0 | 110 | T984 D985 | N982-T984 PolarHBondContact ND2-OG1 3.36Å; N982-T984 VanDerWaalsContact ND2-OG1 3.13Å; N982-T984 PolarHBondContact O-N 3.14Å; N982-T984 PolarHBondContact OD1-N 3.49Å; N982-T984 PolarHBondContact OD1-OG1 2.96Å; N982-D985 PolarHBondContact O-N 2.58Å | ||
| 983 | S | 65.7 | Low | 83 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8.6 | -176.4 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | G981 | G981-S983 PolarHBondContact O-N 3.02Š|
| 984 | T | 75.6 | Confident | 83.1 | Confident | 113 Ų | 113 | 78.5 Ų | 78.5 | 69% | 0.693 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -4 | 172.2 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | N982 | N982-T984 PolarHBondContact ND2-OG1 3.36Å; N982-T984 VanDerWaalsContact ND2-OG1 3.13Å; N982-T984 PolarHBondContact O-N 3.14Å; N982-T984 PolarHBondContact OD1-N 3.49Å; N982-T984 PolarHBondContact OD1-OG1 2.96Å |
| 985 | D | 82.6 | Confident | 83.2 | Confident | 78 Ų | 78 | 78.3 Ų | 78.3 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | trans | -95.9 | 86.4 | 172.6 | -173.6 | -5.4 | 0 | 0 | 0 | 111.3 | N982 K987 A988 L989 | N982-D985 PolarHBondContact O-N 2.58Å; D985-K987 PolarHBondContact O-N 3.43Å; D985-K987 VanDerWaalsContact O-N 3.1Å; D985-K987 WeakPolarHBondContact OD1-CB 3.25Å; D985-K987 PolarHBondContact OD1-N 3.28Å; D985-A988 HydrophobicContact CB-CB 4.02Å; D985-A988 PolarHBondContact O-N 3.01Å; D985-A988 PolarHBondContact OD1-N 3.41Å; D985-A988 WeakPolarHBondContact OD2-CB 3.17Å; D985-L989 PolarHBondContact O-N 3.18Å | ||
| 986 | D | 80.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 80.9 Ų | 80.9 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -50.5 | -34 | 175.7 | -77.1 | -30 | 0 | 0 | 0 | 113 | I990 | D986-I990 WeakPolarHBondContact O-CB 3.4Å; D986-I990 WeakPolarHBondContact O-CD1 3.47Å; D986-I990 WeakPolarHBondContact O-CG1 3.33Å; D986-I990 PolarHBondContact O-N 3.4Å |
| 987 | K | 82 | Confident | 83.5 | Confident | 177 Ų | 177 | 79.8 Ų | 79.8 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.2 | -40.9 | -179.7 | -70.9 | -179 | 176.6 | 176.6 | 0 | 111.5 | D985 K991 | D985-K987 PolarHBondContact O-N 3.43Å; D985-K987 VanDerWaalsContact O-N 3.1Å; D985-K987 WeakPolarHBondContact OD1-CB 3.25Å; D985-K987 PolarHBondContact OD1-N 3.28Å; K987-K991 VanDerWaalsContact O-CB 3.28Å; K987-K991 WeakPolarHBondContact O-CB 3.16Å; K987-K991 PolarHBondContact O-N 2.92Å |
| 988 | A | 82.9 | Confident | 83.5 | Confident | 31 Ų | 31 | 78.9 Ų | 78.9 | 26% | 0.256 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F979 D985 K991 F992 | F979-A988 HydrophobicContact CE2-CB 4.19Å; F979-A988 HydrophobicContact CZ-CB 3.62Å; D985-A988 HydrophobicContact CB-CB 4.02Å; D985-A988 PolarHBondContact O-N 3.01Å; D985-A988 PolarHBondContact OD1-N 3.41Å; D985-A988 WeakPolarHBondContact OD2-CB 3.17Å; A988-K991 PolarHBondContact O-N 2.93Å; A988-F992 PolarHBondContact O-N 3.06Å |
| 989 | L | 88.5 | Confident | 83.5 | Confident | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.037 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 174.8 | -174.5 | 67.3 | 0 | 0 | 0 | 112 | F968 I975 V976 F979 D985 K991 F992 A993 | F968-L989 HydrophobicContact CZ-CD2 4.42Å; I975-L989 HydrophobicContact CG2-CD1 4.01Å; V976-L989 HydrophobicContact CG2-CD1 4.14Å; V976-L989 HydrophobicContact CG2-CD2 4.1Å; F979-L989 HydrophobicContact CB-CD1 4.04Å; F979-L989 HydrophobicContact CD1-CD1 3.88Å; F979-L989 HydrophobicContact CD2-CD1 4.49Å; F979-L989 HydrophobicContact CE1-CB 4.43Å; F979-L989 HydrophobicContact CE1-CD1 4.43Å; F979-L989 HydrophobicContact CG-CD1 3.9Å; D985-L989 PolarHBondContact O-N 3.18Å; L989-K991 VanDerWaalsContact C-N 3.3Å; L989-K991 PolarHBondContact O-N 3.18Å; L989-F992 PolarHBondContact O-N 2.67Å; L989-A993 WeakPolarHBondContact O-CB 3.5Å; L989-A993 PolarHBondContact O-N 2.85Å |
| 990 | I | 87.8 | Confident | 83.1 | Confident | 72 Ų | 72 | 80.8 Ų | 80.8 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 177 | -69.6 | 165.8 | 0 | 0 | 0 | 111.3 | F964 D986 A993 L994 | F964-I990 HydrophobicContact CE1-CG2 4.39Å; F964-I990 HydrophobicContact CZ-CG2 4.4Å; D986-I990 WeakPolarHBondContact O-CB 3.4Å; D986-I990 WeakPolarHBondContact O-CD1 3.47Å; D986-I990 WeakPolarHBondContact O-CG1 3.33Å; D986-I990 PolarHBondContact O-N 3.4Å; I990-A993 PolarHBondContact O-N 2.67Å; I990-L994 HydrophobicContact CG2-CD1 4.03Å; I990-L994 WeakPolarHBondContact O-CB 3.29Å; I990-L994 WeakPolarHBondContact O-CG 3.41Å; I990-L994 PolarHBondContact O-N 3.19Å |
| 991 | K | 87.3 | Confident | 83.2 | Confident | 166 Ų | 166 | 78.6 Ų | 78.6 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.6 | -38.5 | 176.2 | -172.2 | -179.7 | 179.6 | -174.3 | 0 | 112.2 | K987 A988 L989 S995 | K987-K991 VanDerWaalsContact O-CB 3.28Å; K987-K991 WeakPolarHBondContact O-CB 3.16Å; K987-K991 PolarHBondContact O-N 2.92Å; A988-K991 PolarHBondContact O-N 2.93Å; L989-K991 VanDerWaalsContact C-N 3.3Å; L989-K991 PolarHBondContact O-N 3.18Å; K991-S995 PolarHBondContact O-N 3.39Å |
| 992 | F | 90.2 | Very high | 83.1 | Confident | 55 Ų | 55 | 84.3 Ų | 84.3 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67 | -46.3 | 173.5 | 178.4 | -111.7 | 0 | 0 | 0 | 111.5 | I975 D978 F979 A988 L989 L994 S995 Q996 | I975-F992 HydrophobicContact CG2-CD1 3.8Å; I975-F992 HydrophobicContact CG2-CE1 4.18Å; I975-F992 WeakPolarHBondContact O-CE1 3.36Å; D978-F992 HydrophobicContact CB-CE1 4.24Å; D978-F992 HydrophobicContact CB-CZ 4.11Å; D978-F992 VanDerWaalsContact O-CZ 3.29Å; D978-F992 WeakPolarHBondContact O-CZ 3.45Å; F979-F992 HydrophobicContact CB-CD1 3.77Å; F979-F992 HydrophobicContact CB-CE1 3.84Å; F979-F992 HydrophobicContact CD2-CB 3.62Å; F979-F992 AromaticContact CD2-CD1 3.72Å; F979-F992 HydrophobicContact CD2-CD1 3.72Å; F979-F992 HydrophobicContact CD2-CD2 4.3Å; F979-F992 HydrophobicContact CD2-CE1 4.44Å; F979-F992 AromaticContact CD2-CG 3.64Å; F979-F992 HydrophobicContact CD2-CG 3.64Å; F979-F992 HydrophobicContact CE2-CB 3.92Å; F979-F992 HydrophobicContact CE2-CG 4.39Å; F979-F992 HydrophobicContact CG-CD1 4.18Å; A988-F992 PolarHBondContact O-N 3.06Å; L989-F992 PolarHBondContact O-N 2.67Å; F992-L994 VanDerWaalsContact C-N 3.35Å; F992-L994 PolarHBondContact O-N 2.79Å; F992-S995 WeakPolarHBondContact O-CA 3.5Å; F992-S995 VanDerWaalsContact O-CB 3.3Å; F992-S995 WeakPolarHBondContact O-CB 3.44Å; F992-S995 PolarHBondContact O-N 2.95Å; F992-Q996 HydrophobicContact CE1-CG 4.38Å; F992-Q996 HydrophobicContact CZ-CG 4.29Å; F992-Q996 PolarHBondContact O-N 3.42Å |
| 993 | A | 90.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -54.9 | -46.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F964 W967 F968 I975 L989 I990 S995 Q996 Y997 | F964-A993 HydrophobicContact CE2-CB 3.99Å; F964-A993 HydrophobicContact CZ-CB 3.91Å; W967-A993 HydrophobicContact CZ3-CB 4.35Å; W967-A993 WeakPolarHBondContact CZ3-O 3.25Å; F968-A993 HydrophobicContact CD2-CB 3.5Å; F968-A993 VanDerWaalsContact CD2-CB 3.5Å; F968-A993 HydrophobicContact CE2-CB 3.56Å; I975-A993 HydrophobicContact CD1-CB 4.08Å; I975-A993 HydrophobicContact CG2-CB 3.99Å; L989-A993 WeakPolarHBondContact O-CB 3.5Å; L989-A993 PolarHBondContact O-N 2.85Å; I990-A993 PolarHBondContact O-N 2.67Å; A993-S995 PolarHBondContact O-N 2.93Å; A993-Q996 PolarHBondContact O-N 2.98Å; A993-Y997 WeakPolarHBondContact O-CB 3.43Å; A993-Y997 PolarHBondContact O-N 3.32Å |
| 994 | L | 88.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 85.6 Ų | 85.6 | 32% | 0.319 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -28.2 | 176.2 | -78.9 | 166.4 | 0 | 0 | 0 | 113.1 | F964 I990 F992 R998 | F964-L994 HydrophobicContact CD1-CD2 4.06Å; F964-L994 HydrophobicContact CD2-CD2 3.72Å; F964-L994 HydrophobicContact CD2-CG 4.37Å; F964-L994 HydrophobicContact CE1-CD2 4.01Å; F964-L994 HydrophobicContact CE1-CG 4.15Å; F964-L994 HydrophobicContact CE2-CB 4.46Å; F964-L994 HydrophobicContact CE2-CD2 3.67Å; F964-L994 HydrophobicContact CE2-CG 3.8Å; F964-L994 HydrophobicContact CG-CD2 3.92Å; F964-L994 HydrophobicContact CZ-CD2 3.82Å; F964-L994 HydrophobicContact CZ-CG 3.68Å; I990-L994 HydrophobicContact CG2-CD1 4.03Å; I990-L994 WeakPolarHBondContact O-CB 3.29Å; I990-L994 WeakPolarHBondContact O-CG 3.41Å; I990-L994 PolarHBondContact O-N 3.19Å; F992-L994 VanDerWaalsContact C-N 3.35Å; F992-L994 PolarHBondContact O-N 2.79Å; L994-R998 WeakPolarHBondContact O-CD 3.2Å; L994-R998 WeakPolarHBondContact O-CG 3.28Å; L994-R998 PolarHBondContact O-N 3.19Å |
| 995 | S | 87.3 | Confident | 81.1 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.2 | -47 | 174.1 | -169 | 0 | 0 | 0 | 0 | 111.3 | K991 F992 A993 R998 Q999 | K991-S995 PolarHBondContact O-N 3.39Å; F992-S995 WeakPolarHBondContact O-CA 3.5Å; F992-S995 VanDerWaalsContact O-CB 3.3Å; F992-S995 WeakPolarHBondContact O-CB 3.44Å; F992-S995 PolarHBondContact O-N 2.95Å; A993-S995 PolarHBondContact O-N 2.93Å; S995-R998 PolarHBondContact O-N 2.7Å; S995-Q999 PolarHBondContact O-N 2.97Å; S995-Q999 VanDerWaalsContact O-N 3.16Å |
| 996 | Q | 88.2 | Confident | 79.4 | Confident | 61 Ų | 61 | 87 Ų | 87 | 29% | 0.285 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.8 | -72.2 | -70.3 | 9.2 | 0 | 0 | 111.6 | W967 F992 A993 R998 Q999 A1000 | W967-Q996 HydrophobicContact CH2-CB 3.74Å; W967-Q996 HydrophobicContact CZ2-CB 4.31Å; F992-Q996 HydrophobicContact CE1-CG 4.38Å; F992-Q996 HydrophobicContact CZ-CG 4.29Å; F992-Q996 PolarHBondContact O-N 3.42Å; A993-Q996 PolarHBondContact O-N 2.98Å; Q996-R998 VanDerWaalsContact C-N 3.29Å; Q996-R998 PolarHBondContact O-N 2.74Å; Q996-Q999 PolarHBondContact O-N 2.72Å; Q996-A1000 PolarHBondContact O-N 3.48Å |
| 997 | Y | 91.6 | Very high | 77.2 | Confident | 39 Ų | 39 | 93.2 Ų | 93.2 | 15% | 0.153 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -55.8 | -41.9 | 176.1 | -175.4 | -119.4 | 0 | 0 | 0 | 112.8 | P963 F964 W967 A993 Q999 A1000 N1001 | P963-Y997 VanDerWaalsContact CB-OH 3.3Å; P963-Y997 WeakPolarHBondContact CB-OH 3.28Å; F964-Y997 HydrophobicContact CB-CD1 4.19Å; F964-Y997 HydrophobicContact CB-CE1 4.04Å; F964-Y997 AromaticContact CD2-CD1 3.85Å; F964-Y997 HydrophobicContact CD2-CD1 3.85Å; F964-Y997 HydrophobicContact CD2-CD2 4.46Å; F964-Y997 AromaticContact CD2-CG 3.83Å; F964-Y997 HydrophobicContact CD2-CG 3.83Å; F964-Y997 HydrophobicContact CG-CD1 4.48Å; W967-Y997 HydrophobicContact CB-CD2 4.03Å; W967-Y997 HydrophobicContact CB-CE2 3.87Å; W967-Y997 AromaticContact CD1-CD2 3.97Å; W967-Y997 AromaticContact CD2-CD2 3.38Å; W967-Y997 HydrophobicContact CD2-CD2 3.38Å; W967-Y997 HydrophobicContact CD2-CE2 4.12Å; W967-Y997 HydrophobicContact CD2-CG 4.2Å; W967-Y997 AromaticContact CE2-CD2 3.83Å; W967-Y997 AromaticContact CE3-CD2 3.67Å; W967-Y997 HydrophobicContact CE3-CD2 3.67Å; W967-Y997 HydrophobicContact CE3-CG 4.06Å; W967-Y997 AromaticContact CG-CD2 3.51Å; W967-Y997 HydrophobicContact CG-CD2 3.51Å; W967-Y997 AromaticContact CG-CE2 3.75Å; W967-Y997 HydrophobicContact CG-CE2 3.75Å; W967-Y997 HydrophobicContact CZ2-CD2 4.49Å; W967-Y997 HydrophobicContact CZ3-CD2 4.36Å; W967-Y997 HydrophobicContact CZ3-CG 4.42Å; A993-Y997 WeakPolarHBondContact O-CB 3.43Å; A993-Y997 PolarHBondContact O-N 3.32Å; Y997-Q999 VanDerWaalsContact C-N 3.32Å; Y997-Q999 PolarHBondContact O-N 2.78Å; Y997-A1000 PolarHBondContact O-N 3.35Å; Y997-N1001 WeakPolarHBondContact CE1-ND2 3.24Å; Y997-N1001 PolarHBondContact O-N 3.18Å; Y997-N1001 PolarHBondContact OH-ND2 3.39Å; Y997-N1001 VanDerWaalsContact OH-ND2 3.15Å |
| 998 | R | 85.7 | Confident | 77 | Confident | 171 Ų | 171 | 89 Ų | 89 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.4 | -24.7 | 176.9 | -73.3 | 170.5 | 179.6 | -175.6 | -0.5 | 113.5 | L994 S995 Q996 K1002 | L994-R998 WeakPolarHBondContact O-CD 3.2Å; L994-R998 WeakPolarHBondContact O-CG 3.28Å; L994-R998 PolarHBondContact O-N 3.19Å; S995-R998 PolarHBondContact O-N 2.7Å; Q996-R998 VanDerWaalsContact C-N 3.29Å; Q996-R998 PolarHBondContact O-N 2.74Å; R998-K1002 VanDerWaalsContact O-CG 3.32Å; R998-K1002 WeakPolarHBondContact O-CG 3.14Å; R998-K1002 PolarHBondContact O-N 2.96Å |
| 999 | Q | 83.4 | Confident | 76.7 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.1 | -45.5 | 173 | -72.7 | -178.6 | -12.3 | 0 | 0 | 110.9 | S995 Q996 Y997 N1001 K1002 Q1003 | S995-Q999 PolarHBondContact O-N 2.97Å; S995-Q999 VanDerWaalsContact O-N 3.16Å; Q996-Q999 PolarHBondContact O-N 2.72Å; Y997-Q999 VanDerWaalsContact C-N 3.32Å; Y997-Q999 PolarHBondContact O-N 2.78Å; Q999-N1001 PolarHBondContact O-N 3.18Å; Q999-K1002 WeakPolarHBondContact O-CB 3.49Å; Q999-K1002 PolarHBondContact O-N 2.68Å; Q999-K1002 VanDerWaalsContact O-N 3.13Å; Q999-Q1003 PolarHBondContact O-N 2.99Å; Q999-Q1003 VanDerWaalsContact O-N 3.11Å |
| 1000 | A | 80.3 | Confident | 76 | Confident | 36 Ų | 36 | 96.8 Ų | 96.8 | 30% | 0.298 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -50.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q996 Y997 K1002 Q1003 A1004 | Q996-A1000 PolarHBondContact O-N 3.48Å; Y997-A1000 PolarHBondContact O-N 3.35Å; A1000-K1002 PolarHBondContact O-N 2.86Å; A1000-Q1003 PolarHBondContact O-N 2.68Å; A1000-Q1003 VanDerWaalsContact O-N 3.1Å; A1000-A1004 PolarHBondContact O-N 2.67Å |
| 1001 | N | 78.5 | Confident | 75.3 | Confident | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -23.3 | 177.8 | -76 | 2.4 | 0 | 0 | 0 | 113.6 | Y997 Q999 G1005 | Y997-N1001 WeakPolarHBondContact CE1-ND2 3.24Å; Y997-N1001 PolarHBondContact O-N 3.18Å; Y997-N1001 PolarHBondContact OH-ND2 3.39Å; Y997-N1001 VanDerWaalsContact OH-ND2 3.15Å; Q999-N1001 PolarHBondContact O-N 3.18Å; N1001-G1005 PolarHBondContact O-N 3.07Å |
| 1002 | K | 75.1 | Confident | 74.6 | Confident | 157 Ų | 157 | 94 Ų | 94 | 68% | 0.683 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.4 | -33.9 | 172.8 | -85.9 | -176.3 | 175 | -168.7 | 0 | 112.5 | R998 Q999 A1000 | R998-K1002 VanDerWaalsContact O-CG 3.32Å; R998-K1002 WeakPolarHBondContact O-CG 3.14Å; R998-K1002 PolarHBondContact O-N 2.96Å; Q999-K1002 WeakPolarHBondContact O-CB 3.49Å; Q999-K1002 PolarHBondContact O-N 2.68Å; Q999-K1002 VanDerWaalsContact O-N 3.13Å; A1000-K1002 PolarHBondContact O-N 2.86Å |
| 1003 | Q | 62.8 | Low | 73.6 | Confident | 144 Ų | 144 | 96.6 Ų | 96.6 | 67% | 0.673 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.6 | -38.8 | 176.1 | -70.6 | 177.6 | -18.9 | 0 | 0 | 111.5 | Q999 A1000 G1005 L1006 | Q999-Q1003 PolarHBondContact O-N 2.99Å; Q999-Q1003 VanDerWaalsContact O-N 3.11Å; A1000-Q1003 PolarHBondContact O-N 2.68Å; A1000-Q1003 VanDerWaalsContact O-N 3.1Å; Q1003-G1005 PolarHBondContact O-N 3.37Å; Q1003-L1006 PolarHBondContact O-N 2.64Å |
| 1004 | A | 60 | Low | 72.3 | Confident | 69 Ų | 69 | 103.5 Ų | 103.5 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1000 | A1000-A1004 PolarHBondContact O-N 2.67Š|
| 1005 | G | 49.5 | Very low | 71.1 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 9.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1001 Q1003 | N1001-G1005 PolarHBondContact O-N 3.07Å; Q1003-G1005 PolarHBondContact O-N 3.37Å |
| 1006 | L | 46.6 | Very low | 69.8 | Low | 156 Ų | 156 | 110.3 Ų | 110.3 | 82% | 0.817 | 57% | 0.569 | S | S | * | * | trans | -123.5 | 8.8 | 179 | -90.3 | 162.5 | 0 | 0 | 0 | 112.4 | Q1003 | Q1003-L1006 PolarHBondContact O-N 2.64Š| ||
| 1007 | Q | 35.6 | Very low | 68.1 | Low | 236 Ų | 236 | 114.8 Ų | 114.8 | 100% | 1.103 | 60% | 0.595 | S | S | * | * | trans | -114 | 0 | 167.4 | -68.6 | -174.4 | -19.6 | 0 | 0 | 108.9 |
Retrieved 1,007 of 1,007 residues in 792 ms
(Link to these results)