| 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 | 53.7 | Low | 88.4 | Confident | 244 Ų | 244 | 49.9 Ų | 49.9 | 100% | 1.202 | 29% | 0.294 | S | S | * | . | 0 | 145.9 | 0 | -86.2 | -179.1 | -107.7 | 0 | 0 | 107.2 | |||||
| 2 | S | 65.5 | Low | 89 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | trans | -52.8 | 144.1 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | F4 E9 | S2-F4 PolarHBondContact O-N 3.47Å; S2-F4 PolarHBondContact OG-N 3.4Å; S2-E9 WeakPolarHBondContact CB-OE1 3.49Å; S2-E9 PolarHBondContact OG-OE1 3.21Å | ||
| 3 | A | 85.8 | Confident | 89.5 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -69.8 | -16.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 4 | F | 93.8 | Very high | 89.9 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 17% | 0.167 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -103.7 | 150.2 | -177.4 | -60.8 | -64.4 | 0 | 0 | 0 | 112 | S2 E9 L12 D31 D32 L33 | S2-F4 PolarHBondContact O-N 3.47Å; S2-F4 PolarHBondContact OG-N 3.4Å; F4-E9 HydrophobicContact CB-CG 3.93Å; F4-L12 HydrophobicContact CD2-CD1 3.64Å; F4-L12 HydrophobicContact CE2-CD1 4Å; F4-L12 HydrophobicContact CG-CD1 4.22Å; F4-D31 HydrophobicContact CD1-CB 4.34Å; F4-D32 WeakPolarHBondContact CE1-OD1 3.36Å; F4-L33 HydrophobicContact CD1-CB 4.05Å; F4-L33 HydrophobicContact CD1-CD1 4.45Å; F4-L33 HydrophobicContact CE1-CB 4.05Å; F4-L33 HydrophobicContact CE1-CD1 4.11Å; F4-L33 HydrophobicContact CZ-CD1 4.28Å |
| 5 | T | 95.4 | Very high | 90.1 | Very high | 35 Ų | 35 | 55 Ų | 55 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | trans | -65.6 | 155.9 | 174.5 | 62 | 0 | 0 | 0 | 0 | 111.3 | A7 S8 E9 Q30 D31 | T5-A7 PolarHBondContact O-N 3.14Å; T5-S8 PolarHBondContact O-N 2.78Å; T5-S8 VanDerWaalsContact O-N 3.07Å; T5-S8 WeakPolarHBondContact OG1-CB 3.36Å; T5-S8 PolarHBondContact OG1-N 2.95Å; T5-S8 PolarHBondContact OG1-OG 3.25Å; T5-E9 WeakPolarHBondContact O-CG 3.45Å; T5-E9 PolarHBondContact O-N 3.47Å; T5-Q30 HydrophobicContact CG2-CB 3.69Å; T5-D31 VanDerWaalsContact CB-OD2 3.23Å; T5-D31 WeakPolarHBondContact CB-OD2 3.21Å; T5-D31 HydrophobicContact CG2-CB 4.21Å; T5-D31 WeakPolarHBondContact CG2-OD2 3.29Å; T5-D31 PolarHBondContact N-OD2 3.04Å; T5-D31 PolarHBondContact OG1-OD2 3.43Å | ||
| 6 | P | 95.8 | Very high | 90.3 | Very high | 48 Ų | 48 | 59 Ų | 59 | 31% | 0.312 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -33.2 | 174.5 | -30.7 | 37.7 | 0 | 0 | 0 | 114.5 | V10 R138 | P6-V10 WeakPolarHBondContact O-CG2 3.44Å; P6-V10 PolarHBondContact O-N 3.07Å; P6-R138 HydrophobicContact CB-CB 4Å |
| 7 | A | 96.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -49.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T5 E9 V10 L11 Y83 V111 | T5-A7 PolarHBondContact O-N 3.14Å; A7-E9 VanDerWaalsContact C-N 3.29Å; A7-E9 PolarHBondContact O-N 3.45Å; A7-V10 WeakPolarHBondContact O-CB 3.5Å; A7-V10 PolarHBondContact O-N 2.98Å; A7-L11 PolarHBondContact O-N 3.36Å; A7-Y83 HydrophobicContact CB-CD1 3.91Å; A7-Y83 HydrophobicContact CB-CE1 3.91Å; A7-V111 HydrophobicContact CB-CG1 4.25Å; A7-V111 HydrophobicContact CB-CG2 3.93Å |
| 8 | S | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 174.7 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | T5 V10 L11 L12 D31 Y83 | T5-S8 PolarHBondContact O-N 2.78Å; T5-S8 VanDerWaalsContact O-N 3.07Å; T5-S8 WeakPolarHBondContact OG1-CB 3.36Å; T5-S8 PolarHBondContact OG1-N 2.95Å; T5-S8 PolarHBondContact OG1-OG 3.25Å; S8-V10 PolarHBondContact O-N 3Å; S8-L11 PolarHBondContact O-N 3.29Å; S8-L11 VanDerWaalsContact O-N 3.17Å; S8-L12 WeakPolarHBondContact O-CG 3.49Å; S8-L12 PolarHBondContact O-N 3.35Å; S8-D31 WeakPolarHBondContact CB-OD2 3.47Å; S8-D31 PolarHBondContact OG-OD1 2.98Å; S8-D31 PolarHBondContact OG-OD2 2.98Å; S8-Y83 WeakPolarHBondContact OG-CE1 3.49Å; S8-Y83 PolarHBondContact OG-OH 3.23Å |
| 9 | E | 95.9 | Very high | 91.1 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.8 | -14.8 | 176.1 | -54.6 | -178.2 | 109.7 | 0 | 0 | 114.2 | S2 F4 T5 A7 R138 | S2-E9 WeakPolarHBondContact CB-OE1 3.49Å; S2-E9 PolarHBondContact OG-OE1 3.21Å; F4-E9 HydrophobicContact CB-CG 3.93Å; T5-E9 WeakPolarHBondContact O-CG 3.45Å; T5-E9 PolarHBondContact O-N 3.47Å; A7-E9 VanDerWaalsContact C-N 3.29Å; A7-E9 PolarHBondContact O-N 3.45Å; E9-R138 PolarHBondContact O-NH1 2.97Å; E9-R138 VanDerWaalsContact O-NH1 3.15Å; E9-R138 IonicContact OE1-CZ 3.7Å; E9-R138 IonicContact OE1-NE 3.14Å; E9-R138 IonicContact OE1-NH2 3.33Å; E9-R138 PolarHBondContact OE1-NH2 3.12Å; E9-R138 WeakPolarHBondContact OE2-CD 3.49Å; E9-R138 IonicContact OE2-CZ 3.26Å; E9-R138 IonicContact OE2-NE 3.9Å; E9-R138 PolarHBondContact OE2-NE 2.73Å; E9-R138 IonicContact OE2-NH1 3.81Å; E9-R138 IonicContact OE2-NH2 3Å; E9-R138 PolarHBondContact OE2-NH2 3.17Å |
| 10 | V | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -76.4 | -44.6 | 167 | 169.6 | 0 | 0 | 0 | 0 | 109.8 | P6 A7 S8 L12 R13 H14 V111 A137 C140 L142 | P6-V10 WeakPolarHBondContact O-CG2 3.44Å; P6-V10 PolarHBondContact O-N 3.07Å; A7-V10 WeakPolarHBondContact O-CB 3.5Å; A7-V10 PolarHBondContact O-N 2.98Å; S8-V10 PolarHBondContact O-N 3Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.47Å; V10-R13 WeakPolarHBondContact O-CB 3.43Å; V10-R13 PolarHBondContact O-N 3.14Å; V10-R13 VanDerWaalsContact O-N 3.15Å; V10-H14 PolarHBondContact O-CD2 3Å; V10-V111 HydrophobicContact CB-CG2 4.35Å; V10-V111 HydrophobicContact CG1-CG2 4.43Å; V10-A137 HydrophobicContact CG2-CB 4.24Å; V10-C140 HydrophobicContact CG2-CB 4.01Å; V10-L142 HydrophobicContact CG1-CB 3.85Å; V10-L142 HydrophobicContact CG1-CD2 4.22Å |
| 11 | L | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 177.3 | -67.8 | 169.9 | 0 | 0 | 0 | 112.5 | A7 S8 R13 H14 F18 L33 I81 Y83 V111 L142 | A7-L11 PolarHBondContact O-N 3.36Å; S8-L11 PolarHBondContact O-N 3.29Å; S8-L11 VanDerWaalsContact O-N 3.17Å; L11-R13 PolarHBondContact O-N 2.93Å; L11-H14 CarbonylContact O-C 3.59Å; L11-H14 PolarHBondContact O-N 2.9Å; L11-F18 HydrophobicContact CB-CE2 4.49Å; L11-F18 HydrophobicContact CD2-CE2 4.2Å; L11-F18 HydrophobicContact CD2-CZ 4.12Å; L11-L33 HydrophobicContact CB-CD2 4.11Å; L11-L33 HydrophobicContact CD1-CD2 4.19Å; L11-I81 HydrophobicContact CD1-CG2 3.52Å; L11-I81 HydrophobicContact CD2-CD1 4.33Å; L11-I81 HydrophobicContact CD2-CG2 4.11Å; L11-I81 HydrophobicContact CG-CG2 4.47Å; L11-Y83 HydrophobicContact CD1-CE1 4.26Å; L11-Y83 HydrophobicContact CD1-CE2 3.92Å; L11-Y83 VanDerWaalsContact CD1-OH 3.26Å; L11-Y83 WeakPolarHBondContact CD1-OH 3.36Å; L11-V111 HydrophobicContact CD1-CG1 3.92Å; L11-V111 HydrophobicContact CD2-CB 4.41Å; L11-V111 HydrophobicContact CD2-CG1 4.43Å; L11-V111 HydrophobicContact CG-CB 4.45Å; L11-V111 HydrophobicContact CG-CG1 4.2Å; L11-V111 HydrophobicContact CG-CG2 4.46Å; L11-L142 HydrophobicContact CD2-CD1 3.79Å |
| 12 | L | 95.6 | Very high | 93.8 | Very high | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -59.6 | -14.5 | 176.9 | -76.8 | 172.9 | 0 | 0 | 0 | 114.5 | F4 S8 V10 H14 L33 L37 | F4-L12 HydrophobicContact CD2-CD1 3.64Å; F4-L12 HydrophobicContact CE2-CD1 4Å; F4-L12 HydrophobicContact CG-CD1 4.22Å; S8-L12 WeakPolarHBondContact O-CG 3.49Å; S8-L12 PolarHBondContact O-N 3.35Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.47Å; L12-H14 VanDerWaalsContact C-N 3.28Å; L12-L33 HydrophobicContact CD1-CD1 4.29Å; L12-L33 HydrophobicContact CD2-CD1 3.64Å; L12-L33 HydrophobicContact CG-CD1 3.95Å; L12-L33 HydrophobicContact CG-CD2 4.29Å; L12-L37 HydrophobicContact CD2-CD1 4.09Å |
| 13 | R | 95.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 52.1 Ų | 52.1 | 50% | 0.502 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -81.4 | -10.7 | 173.7 | -66.7 | 172.4 | 54.7 | -156.5 | -14 | 113.4 | V10 L11 D135 | V10-R13 WeakPolarHBondContact O-CB 3.43Å; V10-R13 PolarHBondContact O-N 3.14Å; V10-R13 VanDerWaalsContact O-N 3.15Å; L11-R13 PolarHBondContact O-N 2.93Å; R13-D135 IonicContact CZ-OD1 3.92Å; R13-D135 IonicContact CZ-OD2 3.82Å; R13-D135 IonicContact NE-OD2 2.96Å; R13-D135 IonicContact NH1-OD1 2.74Å; R13-D135 PolarHBondContact NH1-OD1 2.98Å; R13-D135 IonicContact NH1-OD2 3.23Å; R13-D135 PolarHBondContact NH1-OD2 2.99Å; R13-D135 IonicContact NH2-OD1 3.56Å; R13-D135 PolarHBondContact NH2-OD1 2.81Å; R13-D135 IonicContact NH2-OD2 2.99Å; R13-D135 PolarHBondContact NH2-OD2 2.81Å |
| 14 | H | 95 | Very high | 96 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -122.2 | 27.2 | -179.8 | -55.4 | -93.1 | 0 | 0 | 0 | 109.7 | V10 L11 L12 D16 D17 F18 D135 | V10-H14 PolarHBondContact O-CD2 3Å; L11-H14 CarbonylContact O-C 3.59Å; L11-H14 PolarHBondContact O-N 2.9Å; L12-H14 VanDerWaalsContact C-N 3.28Å; H14-D16 PolarHBondContact O-N 2.75Å; H14-D17 IonicContact ND1-OD2 3.39Å; H14-D17 WeakPolarHBondContact O-CB 3.39Å; H14-D17 PolarHBondContact O-N 2.82Å; H14-D17 VanDerWaalsContact O-N 3.14Å; H14-F18 HydrophobicContact CB-CE2 4.04Å; H14-F18 WeakPolarHBondContact O-CD2 3.44Å; H14-F18 WeakPolarHBondContact O-CE2 3.38Å; H14-D135 IonicContact CD2-OD2 3.98Å; H14-D135 IonicContact CE1-OD2 2.98Å; H14-D135 IonicContact NE2-OD2 3.65Å; H14-D135 PolarHBondContact NE2-OD2 2.71Å |
| 15 | S | 92.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -53.6 | -41.4 | -177.4 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | D17 F18 E19 | S15-D17 PolarHBondContact O-N 3.18Å; S15-F18 WeakPolarHBondContact O-CB 3.37Å; S15-F18 PolarHBondContact O-N 2.86Å; S15-E19 PolarHBondContact O-N 3.42Å |
| 16 | D | 93.2 | Very high | 96.4 | Very high | 119 Ų | 119 | 44.8 Ų | 44.8 | 64% | 0.636 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -63.7 | -28.2 | -175.5 | -55.1 | 4 | 0 | 0 | 0 | 111.5 | H14 F18 | H14-D16 PolarHBondContact O-N 2.75Å; D16-F18 PolarHBondContact O-N 3.31Å |
| 17 | D | 93.4 | Very high | 96.5 | Very high | 106 Ų | 106 | 42.8 Ų | 42.8 | 57% | 0.567 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -73.2 | -15.5 | 177.5 | -62.8 | -28.6 | 0 | 0 | 0 | 112.4 | H14 S15 S21 | H14-D17 IonicContact ND1-OD2 3.39Å; H14-D17 WeakPolarHBondContact O-CB 3.39Å; H14-D17 PolarHBondContact O-N 2.82Å; H14-D17 VanDerWaalsContact O-N 3.14Å; S15-D17 PolarHBondContact O-N 3.18Å; D17-S21 PolarHBondContact O-OG 3.36Å |
| 18 | F | 96.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -13.7 | -173.5 | -62 | -48.6 | 0 | 0 | 0 | 114.1 | L11 H14 S15 D16 Q20 S21 I23 L37 I81 F109 | L11-F18 HydrophobicContact CB-CE2 4.49Å; L11-F18 HydrophobicContact CD2-CE2 4.2Å; L11-F18 HydrophobicContact CD2-CZ 4.12Å; H14-F18 HydrophobicContact CB-CE2 4.04Å; H14-F18 WeakPolarHBondContact O-CD2 3.44Å; H14-F18 WeakPolarHBondContact O-CE2 3.38Å; S15-F18 WeakPolarHBondContact O-CB 3.37Å; S15-F18 PolarHBondContact O-N 2.86Å; D16-F18 PolarHBondContact O-N 3.31Å; F18-Q20 PolarHBondContact O-N 3.01Å; F18-Q20 VanDerWaalsContact O-N 3.14Å; F18-S21 WeakPolarHBondContact O-CB 3.29Å; F18-S21 PolarHBondContact O-N 3.32Å; F18-I23 HydrophobicContact CB-CD1 3.75Å; F18-I23 HydrophobicContact CD1-CD1 3.76Å; F18-I23 HydrophobicContact CG-CD1 3.93Å; F18-L37 HydrophobicContact CB-CD2 4.01Å; F18-L37 HydrophobicContact CD2-CD2 3.93Å; F18-L37 HydrophobicContact CG-CD2 4.13Å; F18-I81 HydrophobicContact CD1-CD1 4.08Å; F18-I81 HydrophobicContact CD2-CD1 4.47Å; F18-I81 HydrophobicContact CE1-CD1 3.83Å; F18-I81 HydrophobicContact CE1-CG1 4.41Å; F18-I81 HydrophobicContact CE2-CD1 4.24Å; F18-I81 HydrophobicContact CG-CD1 4.41Å; F18-I81 HydrophobicContact CZ-CD1 3.92Å; F18-F109 HydrophobicContact CE1-CD1 4.42Å; F18-F109 AromaticContact CE1-CD2 3.92Å; F18-F109 HydrophobicContact CE1-CD2 3.92Å; F18-F109 HydrophobicContact CE1-CE1 4.2Å; F18-F109 AromaticContact CE1-CE2 3.7Å; F18-F109 HydrophobicContact CE1-CE2 3.7Å; F18-F109 HydrophobicContact CE1-CG 4.27Å; F18-F109 AromaticContact CE1-CZ 3.83Å; F18-F109 HydrophobicContact CE1-CZ 3.83Å; F18-F109 HydrophobicContact CZ-CD1 4.26Å; F18-F109 HydrophobicContact CZ-CE1 4.18Å; F18-F109 HydrophobicContact CZ-CE2 4.44Å; F18-F109 HydrophobicContact CZ-CG 4.41Å; F18-F109 HydrophobicContact CZ-CZ 4.26Å |
| 19 | E | 96.1 | Very high | 96.6 | Very high | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34.3 | -172.5 | -70 | -174.2 | 173.9 | 0 | 0 | 113.8 | S15 T39 A40 | S15-E19 PolarHBondContact O-N 3.42Å; E19-T39 CarbonylContact O-C 3.52Å; E19-T39 VanDerWaalsContact O-C 3.28Å; E19-A40 PolarHBondContact O-N 2.79Å |
| 20 | Q | 96.7 | Very high | 96.6 | Very high | 158 Ų | 158 | 47.5 Ų | 47.5 | 74% | 0.738 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 1.9 | -178.7 | -58.6 | -56.5 | -50.4 | 0 | 0 | 113.3 | F18 A40 | F18-Q20 PolarHBondContact O-N 3.01Å; F18-Q20 VanDerWaalsContact O-N 3.14Å; Q20-A40 WeakPolarHBondContact O-CB 3.13Å |
| 21 | S | 97.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | trans | -91.2 | 149.4 | -172.6 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | D17 F18 T39 A40 A41 | D17-S21 PolarHBondContact O-OG 3.36Å; F18-S21 WeakPolarHBondContact O-CB 3.29Å; F18-S21 PolarHBondContact O-N 3.32Å; S21-T39 WeakPolarHBondContact O-CB 3.43Å; S21-A40 WeakPolarHBondContact O-CB 3.36Å; S21-A40 PolarHBondContact O-N 2.8Å; S21-A41 PolarHBondContact O-N 2.87Å | ||
| 22 | R | 98.5 | Very high | 96.6 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 97.5 | 172.6 | -70.5 | 152.9 | 37.3 | 87.8 | -22.8 | 108.4 | A40 A41 D76 C77 D78 T79 | R22-A40 HydrophobicContact CG-CB 4.16Å; R22-A41 CarbonylContact C-O 3.28Å; R22-A41 WeakPolarHBondContact CA-O 3.46Å; R22-A41 HydrophobicContact CB-CB 4.32Å; R22-A41 HydrophobicContact CG-CB 3.91Å; R22-D76 IonicContact CZ-OD1 2.92Å; R22-D76 PolarHBondContact NE-O 2.89Å; R22-D76 PolarHBondContact NH1-O 3.14Å; R22-D76 VanDerWaalsContact NH2-CG 3.33Å; R22-D76 PolarHBondContact NH2-O 3.32Å; R22-D76 IonicContact NH2-OD1 3.77Å; R22-D76 PolarHBondContact NH2-OD1 3.11Å; R22-C77 CarbonylContact O-C 3.59Å; R22-C77 VanDerWaalsContact O-CA 3.29Å; R22-C77 WeakPolarHBondContact O-CA 3.49Å; R22-D78 PolarHBondContact N-OD1 2.94Å; R22-D78 PolarHBondContact N-OD2 2.99Å; R22-D78 IonicContact NE-OD2 3.82Å; R22-D78 PolarHBondContact O-N 2.96Å; R22-T79 PolarHBondContact O-N 3.26Å |
| 23 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.5 | -161.8 | -51.1 | -166.4 | 0 | 0 | 0 | 111.1 | F18 F25 L37 T39 A41 S42 R43 T79 I81 | F18-I23 HydrophobicContact CB-CD1 3.75Å; F18-I23 HydrophobicContact CD1-CD1 3.76Å; F18-I23 HydrophobicContact CG-CD1 3.93Å; I23-F25 HydrophobicContact CB-CD2 4.33Å; I23-F25 HydrophobicContact CB-CE2 3.79Å; I23-F25 HydrophobicContact CB-CZ 4.19Å; I23-F25 HydrophobicContact CD1-CZ 4.41Å; I23-F25 HydrophobicContact CG2-CD1 4.34Å; I23-F25 HydrophobicContact CG2-CD2 3.83Å; I23-F25 HydrophobicContact CG2-CE1 4.1Å; I23-F25 HydrophobicContact CG2-CE2 3.54Å; I23-F25 HydrophobicContact CG2-CG 4.23Å; I23-F25 HydrophobicContact CG2-CZ 3.7Å; I23-L37 HydrophobicContact CD1-CD2 4.29Å; I23-T39 HydrophobicContact CB-CG2 4.5Å; I23-T39 HydrophobicContact CD1-CG2 3.61Å; I23-T39 HydrophobicContact CG1-CG2 3.96Å; I23-A41 PolarHBondContact N-O 2.74Å; I23-S42 CarbonylContact O-C 3.58Å; I23-S42 WeakPolarHBondContact O-CA 3.44Å; I23-R43 PolarHBondContact O-N 2.77Å; I23-T79 CarbonylContact C-O 3.33Å; I23-T79 WeakPolarHBondContact CA-O 3.23Å; I23-T79 HydrophobicContact CG1-CG2 4.31Å; I23-I81 HydrophobicContact CD1-CD1 3.85Å; I23-I81 HydrophobicContact CG2-CB 4.06Å; I23-I81 HydrophobicContact CG2-CD1 3.84Å; I23-I81 HydrophobicContact CG2-CG1 3.71Å |
| 24 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.9 | 158.9 | 178 | 62.8 | 0 | 0 | 0 | 109.3 | R43 H45 V74 C77 T79 L80 I81 L98 L102 | L24-R43 CarbonylContact C-O 3.58Å; L24-R43 WeakPolarHBondContact CA-O 3.29Å; L24-R43 HydrophobicContact CD1-CB 4.02Å; L24-H45 HydrophobicContact CD1-CB 4.31Å; L24-V74 HydrophobicContact CD2-CB 3.93Å; L24-V74 HydrophobicContact CD2-CG1 3.58Å; L24-C77 HydrophobicContact CB-CB 3.99Å; L24-T79 PolarHBondContact N-O 2.78Å; L24-L80 HydrophobicContact CB-CD1 4.41Å; L24-L80 HydrophobicContact CD2-CD1 4.21Å; L24-L80 HydrophobicContact CG-CD1 4.18Å; L24-L80 WeakPolarHBondContact O-CA 3.26Å; L24-L80 WeakPolarHBondContact O-CD1 3.32Å; L24-I81 PolarHBondContact O-N 3.12Å; L24-L98 HydrophobicContact CD2-CD2 3.92Å; L24-L102 HydrophobicContact CD2-CD1 4.49Å; L24-L102 HydrophobicContact CD2-CD2 4.3Å |
| 25 | F | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.5 | 170.4 | -64.9 | -91.5 | 0 | 0 | 0 | 110.2 | I23 L29 P34 L37 R43 A44 H45 I81 Y83 | I23-F25 HydrophobicContact CB-CD2 4.33Å; I23-F25 HydrophobicContact CB-CE2 3.79Å; I23-F25 HydrophobicContact CB-CZ 4.19Å; I23-F25 HydrophobicContact CD1-CZ 4.41Å; I23-F25 HydrophobicContact CG2-CD1 4.34Å; I23-F25 HydrophobicContact CG2-CD2 3.83Å; I23-F25 HydrophobicContact CG2-CE1 4.1Å; I23-F25 HydrophobicContact CG2-CE2 3.54Å; I23-F25 HydrophobicContact CG2-CG 4.23Å; I23-F25 HydrophobicContact CG2-CZ 3.7Å; F25-L29 HydrophobicContact CB-CD1 4.49Å; F25-L29 HydrophobicContact CB-CD2 4.12Å; F25-P34 HydrophobicContact CB-CB 3.76Å; F25-P34 HydrophobicContact CB-CG 3.79Å; F25-P34 HydrophobicContact CD1-CB 3.99Å; F25-P34 HydrophobicContact CD1-CG 3.83Å; F25-P34 HydrophobicContact CD2-CB 3.69Å; F25-P34 HydrophobicContact CD2-CG 4.4Å; F25-P34 HydrophobicContact CE1-CB 4.49Å; F25-P34 HydrophobicContact CE1-CG 4.49Å; F25-P34 HydrophobicContact CE2-CB 4.24Å; F25-P34 HydrophobicContact CG-CB 3.54Å; F25-P34 HydrophobicContact CG-CG 3.76Å; F25-L37 HydrophobicContact CE1-CD2 4.19Å; F25-L37 HydrophobicContact CZ-CB 4.25Å; F25-L37 HydrophobicContact CZ-CD2 3.75Å; F25-R43 WeakPolarHBondContact CD2-O 3.29Å; F25-R43 PolarHBondContact N-O 3.37Å; F25-A44 HydrophobicContact CB-CB 4.32Å; F25-A44 CarbonylContact O-C 3.57Å; F25-A44 VanDerWaalsContact O-CA 3.23Å; F25-A44 WeakPolarHBondContact O-CA 3.47Å; F25-H45 PolarHBondContact O-N 3.29Å; F25-I81 WeakPolarHBondContact CA-O 3.45Å; F25-I81 HydrophobicContact CD1-CB 3.89Å; F25-I81 HydrophobicContact CD1-CD1 4.47Å; F25-I81 HydrophobicContact CD1-CG2 3.98Å; F25-I81 HydrophobicContact CE1-CB 4.07Å; F25-I81 HydrophobicContact CE1-CD1 3.76Å; F25-I81 HydrophobicContact CE1-CG1 4.43Å; F25-I81 HydrophobicContact CE1-CG2 4.14Å; F25-I81 HydrophobicContact CZ-CD1 4.22Å; F25-Y83 HydrophobicContact CD1-CE2 4.22Å |
| 26 | A | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 173.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H45 L80 I81 Y82 Y83 L98 | A26-H45 WeakPolarHBondContact CA-O 3.47Å; A26-L80 HydrophobicContact CB-CD1 4.21Å; A26-I81 PolarHBondContact N-O 3.15Å; A26-Y82 HydrophobicContact CB-CD2 4.17Å; A26-Y82 WeakPolarHBondContact O-CA 3.23Å; A26-Y83 PolarHBondContact O-N 3.39Å; A26-L98 HydrophobicContact CB-CD1 3.49Å; A26-L98 VanDerWaalsContact CB-CD1 3.49Å; A26-L98 HydrophobicContact CB-CD2 4.3Å |
| 27 | G | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.2 | -140 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L29 Y82 Y83 | G27-L29 VanDerWaalsContact C-N 3.32Å; G27-L29 PolarHBondContact O-N 2.88Å; G27-Y82 VanDerWaalsContact CA-CE2 3.46Å; G27-Y83 CarbonylContact C-O 3.31Å; G27-Y83 WeakPolarHBondContact CA-O 3.48Å |
| 28 | D | 97.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | trans | -80.8 | 69.2 | -175.8 | -161.6 | 16.2 | 0 | 0 | 0 | 112.8 | Q30 H51 Y83 P85 | D28-Q30 PolarHBondContact O-N 3.33Å; D28-Q30 WeakPolarHBondContact OD1-CG 3.43Å; D28-Q30 PolarHBondContact OD1-NE2 2.81Å; D28-H51 IonicContact OD1-CE1 2.71Å; D28-Y83 PolarHBondContact N-O 3.19Å; D28-P85 HydrophobicContact CB-CB 4.41Å | ||
| 29 | L | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | trans | -73.7 | 63.4 | -175.7 | -56.5 | -176.8 | 0 | 0 | 0 | 113.7 | F25 G27 D31 P34 A44 H51 L55 Y83 | F25-L29 HydrophobicContact CB-CD1 4.49Å; F25-L29 HydrophobicContact CB-CD2 4.12Å; G27-L29 VanDerWaalsContact C-N 3.32Å; G27-L29 PolarHBondContact O-N 2.88Å; L29-D31 VanDerWaalsContact C-N 3.25Å; L29-D31 PolarHBondContact O-N 2.99Å; L29-P34 HydrophobicContact CD2-CG 4.08Å; L29-A44 HydrophobicContact CD1-CB 4.15Å; L29-H51 HydrophobicContact CB-CB 4.46Å; L29-H51 PolarHBondContact O-CD2 3.31Å; L29-H51 VanDerWaalsContact O-CD2 3.28Å; L29-H51 PolarHBondContact O-ND1 3.31Å; L29-L55 HydrophobicContact CB-CD1 4.32Å; L29-L55 HydrophobicContact CD1-CD1 3.65Å; L29-Y83 HydrophobicContact CD2-CD2 3.57Å; L29-Y83 HydrophobicContact CD2-CE2 3.97Å; L29-Y83 HydrophobicContact CD2-CG 4.23Å | ||
| 30 | Q | 96.1 | Very high | 97.5 | Very high | 102 Ų | 102 | 41.5 Ų | 41.5 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | trans | -70.3 | -11.1 | -172.8 | -70.8 | -71.6 | -41.4 | 0 | 0 | 115.2 | T5 D28 H51 | T5-Q30 HydrophobicContact CG2-CB 3.69Å; D28-Q30 PolarHBondContact O-N 3.33Å; D28-Q30 WeakPolarHBondContact OD1-CG 3.43Å; D28-Q30 PolarHBondContact OD1-NE2 2.81Å; Q30-H51 PolarHBondContact NE2-CE1 2.94Å; Q30-H51 PolarHBondContact NE2-NE2 3.19Å | ||
| 31 | D | 96.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -139.1 | 178.2 | 177 | 61.2 | 49.9 | 0 | 0 | 0 | 112 | F4 T5 S8 L29 L33 | F4-D31 HydrophobicContact CD1-CB 4.34Å; T5-D31 VanDerWaalsContact CB-OD2 3.23Å; T5-D31 WeakPolarHBondContact CB-OD2 3.21Å; T5-D31 HydrophobicContact CG2-CB 4.21Å; T5-D31 WeakPolarHBondContact CG2-OD2 3.29Å; T5-D31 PolarHBondContact N-OD2 3.04Å; T5-D31 PolarHBondContact OG1-OD2 3.43Å; S8-D31 WeakPolarHBondContact CB-OD2 3.47Å; S8-D31 PolarHBondContact OG-OD1 2.98Å; S8-D31 PolarHBondContact OG-OD2 2.98Å; L29-D31 VanDerWaalsContact C-N 3.25Å; L29-D31 PolarHBondContact O-N 2.99Å; D31-L33 VanDerWaalsContact OD1-CB 3.26Å; D31-L33 WeakPolarHBondContact OD1-CB 3.44Å; D31-L33 PolarHBondContact OD1-N 2.9Å; D31-L33 VanDerWaalsContact OD1-N 3.11Å |
| 32 | D | 96.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -92.4 | 15.4 | -175.1 | 70.7 | -17 | 0 | 0 | 0 | 114 | F4 P34 A35 R36 V54 L55 | F4-D32 WeakPolarHBondContact CE1-OD1 3.36Å; D32-P34 VanDerWaalsContact C-N 3.28Å; D32-A35 PolarHBondContact O-N 2.89Å; D32-R36 WeakPolarHBondContact O-CG 3.18Å; D32-R36 PolarHBondContact O-N 2.89Å; D32-R36 WeakPolarHBondContact OD2-CD 3.44Å; D32-V54 HydrophobicContact CB-CG1 4.11Å; D32-L55 HydrophobicContact CB-CD2 4.48Å |
| 33 | L | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.4 | -39.6 | 175.5 | -173.6 | 66.6 | 0 | 0 | 0 | 113.3 | F4 L11 L12 D31 A35 R36 L37 | F4-L33 HydrophobicContact CD1-CB 4.05Å; F4-L33 HydrophobicContact CD1-CD1 4.45Å; F4-L33 HydrophobicContact CE1-CB 4.05Å; F4-L33 HydrophobicContact CE1-CD1 4.11Å; F4-L33 HydrophobicContact CZ-CD1 4.28Å; L11-L33 HydrophobicContact CB-CD2 4.11Å; L11-L33 HydrophobicContact CD1-CD2 4.19Å; L12-L33 HydrophobicContact CD1-CD1 4.29Å; L12-L33 HydrophobicContact CD2-CD1 3.64Å; L12-L33 HydrophobicContact CG-CD1 3.95Å; L12-L33 HydrophobicContact CG-CD2 4.29Å; D31-L33 VanDerWaalsContact OD1-CB 3.26Å; D31-L33 WeakPolarHBondContact OD1-CB 3.44Å; D31-L33 PolarHBondContact OD1-N 2.9Å; D31-L33 VanDerWaalsContact OD1-N 3.11Å; L33-A35 PolarHBondContact O-N 2.66Å; L33-R36 PolarHBondContact O-N 3.07Å; L33-L37 HydrophobicContact CD1-CB 4.19Å; L33-L37 HydrophobicContact CD1-CD1 4.22Å; L33-L37 HydrophobicContact CG-CB 4.29Å; L33-L37 PolarHBondContact O-N 3.46Å |
| 34 | P | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.8 | -27.3 | 176 | -29.4 | 36.8 | 0 | 0 | 0 | 115.1 | F25 L29 D32 L55 M59 | F25-P34 HydrophobicContact CB-CB 3.76Å; F25-P34 HydrophobicContact CB-CG 3.79Å; F25-P34 HydrophobicContact CD1-CB 3.99Å; F25-P34 HydrophobicContact CD1-CG 3.83Å; F25-P34 HydrophobicContact CD2-CB 3.69Å; F25-P34 HydrophobicContact CD2-CG 4.4Å; F25-P34 HydrophobicContact CE1-CB 4.49Å; F25-P34 HydrophobicContact CE1-CG 4.49Å; F25-P34 HydrophobicContact CE2-CB 4.24Å; F25-P34 HydrophobicContact CG-CB 3.54Å; F25-P34 HydrophobicContact CG-CG 3.76Å; L29-P34 HydrophobicContact CD2-CG 4.08Å; D32-P34 VanDerWaalsContact C-N 3.28Å; P34-L55 HydrophobicContact CB-CD1 4.35Å; P34-L55 HydrophobicContact CB-CD2 3.96Å; P34-L55 HydrophobicContact CG-CD1 4.34Å; P34-L55 HydrophobicContact CG-CD2 4.16Å; P34-M59 HydrophobicContact CB-SD 4.25Å |
| 35 | A | 96.2 | Very high | 97.5 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -92.7 | -10.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D32 L33 L55 Q58 M59 | D32-A35 PolarHBondContact O-N 2.89Å; L33-A35 PolarHBondContact O-N 2.66Å; A35-L55 HydrophobicContact CB-CD2 4.3Å; A35-Q58 HydrophobicContact CB-CB 3.82Å; A35-Q58 HydrophobicContact CB-CG 4.49Å; A35-Q58 VanDerWaalsContact CB-OE1 3.23Å; A35-M59 HydrophobicContact CB-CG 3.69Å; A35-M59 HydrophobicContact CB-SD 3.96Å |
| 36 | R | 95.7 | Very high | 97.5 | Very high | 147 Ų | 147 | 35.2 Ų | 35.2 | 56% | 0.555 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -122 | -14.6 | -170.1 | -57.5 | -167.9 | 77.4 | -168.4 | 4.8 | 114.7 | D32 L33 | D32-R36 WeakPolarHBondContact O-CG 3.18Å; D32-R36 PolarHBondContact O-N 2.89Å; D32-R36 WeakPolarHBondContact OD2-CD 3.44Å; L33-R36 PolarHBondContact O-N 3.07Å |
| 37 | L | 96.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -69.3 | 132.5 | 174.7 | -168.2 | 70.8 | 0 | 0 | 0 | 109.4 | L12 F18 I23 F25 L33 T39 I81 | L12-L37 HydrophobicContact CD2-CD1 4.09Å; F18-L37 HydrophobicContact CB-CD2 4.01Å; F18-L37 HydrophobicContact CD2-CD2 3.93Å; F18-L37 HydrophobicContact CG-CD2 4.13Å; I23-L37 HydrophobicContact CD1-CD2 4.29Å; F25-L37 HydrophobicContact CE1-CD2 4.19Å; F25-L37 HydrophobicContact CZ-CB 4.25Å; F25-L37 HydrophobicContact CZ-CD2 3.75Å; L33-L37 HydrophobicContact CD1-CB 4.19Å; L33-L37 HydrophobicContact CD1-CD1 4.22Å; L33-L37 HydrophobicContact CG-CB 4.29Å; L33-L37 PolarHBondContact O-N 3.46Å; L37-T39 HydrophobicContact CB-CG2 4.31Å; L37-T39 HydrophobicContact CD2-CG2 4.07Å; L37-T39 HydrophobicContact CG-CG2 4.13Å; L37-T39 PolarHBondContact O-N 2.8Å; L37-I81 HydrophobicContact CD2-CD1 4.37Å |
| 38 | D | 96.3 | Very high | 97.5 | Very high | 126 Ų | 126 | 36.5 Ų | 36.5 | 67% | 0.674 | 20% | 0.197 | S | C | * | . | trans | -70.4 | 119 | 174.2 | -66.8 | -43.9 | 0 | 0 | 0 | 109.5 | ||||
| 39 | T | 97.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | trans | -146.9 | 165.2 | -176.9 | 69 | 0 | 0 | 0 | 0 | 110 | E19 S21 I23 L37 A41 S42 | E19-T39 CarbonylContact O-C 3.52Å; E19-T39 VanDerWaalsContact O-C 3.28Å; S21-T39 WeakPolarHBondContact O-CB 3.43Å; I23-T39 HydrophobicContact CB-CG2 4.5Å; I23-T39 HydrophobicContact CD1-CG2 3.61Å; I23-T39 HydrophobicContact CG1-CG2 3.96Å; L37-T39 HydrophobicContact CB-CG2 4.31Å; L37-T39 HydrophobicContact CD2-CG2 4.07Å; L37-T39 HydrophobicContact CG-CG2 4.13Å; L37-T39 PolarHBondContact O-N 2.8Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact OG1-N 2.82Å; T39-A41 PolarHBondContact OG1-O 2.8Å; T39-S42 PolarHBondContact OG1-OG 2.71Å | ||
| 40 | A | 97.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 38 Ų | 38 | 50% | 0.504 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -70.7 | -34.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E19 Q20 S21 R22 | E19-A40 PolarHBondContact O-N 2.79Å; Q20-A40 WeakPolarHBondContact O-CB 3.13Å; S21-A40 WeakPolarHBondContact O-CB 3.36Å; S21-A40 PolarHBondContact O-N 2.8Å; R22-A40 HydrophobicContact CG-CB 4.16Å |
| 41 | A | 97.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 31% | 0.314 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 149.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S21 R22 I23 T39 | S21-A41 PolarHBondContact O-N 2.87Å; R22-A41 CarbonylContact C-O 3.28Å; R22-A41 WeakPolarHBondContact CA-O 3.46Å; R22-A41 HydrophobicContact CB-CB 4.32Å; R22-A41 HydrophobicContact CG-CB 3.91Å; I23-A41 PolarHBondContact N-O 2.74Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact OG1-N 2.82Å; T39-A41 PolarHBondContact OG1-O 2.8Å |
| 42 | S | 98 | Very high | 97.8 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.8 | 175.4 | -67.4 | 0 | 0 | 0 | 0 | 111.2 | I23 T39 M59 N62 | I23-S42 CarbonylContact O-C 3.58Å; I23-S42 WeakPolarHBondContact O-CA 3.44Å; T39-S42 PolarHBondContact OG1-OG 2.71Å; S42-M59 WeakPolarHBondContact O-CE 3.2Å; S42-N62 WeakPolarHBondContact O-CB 3.46Å |
| 43 | R | 98.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 156.3 | 166.2 | -66 | -166.2 | -178.3 | -74.3 | -2.3 | 110 | I23 L24 F25 N62 A75 | I23-R43 PolarHBondContact O-N 2.77Å; L24-R43 CarbonylContact C-O 3.58Å; L24-R43 WeakPolarHBondContact CA-O 3.29Å; L24-R43 HydrophobicContact CD1-CB 4.02Å; F25-R43 WeakPolarHBondContact CD2-O 3.29Å; F25-R43 PolarHBondContact N-O 3.37Å; R43-N62 CarbonylContact C-O 3.52Å; R43-N62 VanDerWaalsContact CA-O 3.29Å; R43-N62 WeakPolarHBondContact CA-O 3.33Å; R43-N62 HydrophobicContact CG-CB 4.49Å; R43-N62 PolarHBondContact NH1-OD1 2.98Å; R43-A75 WeakPolarHBondContact CD-O 3.23Å; R43-A75 PolarHBondContact NE-O 3.11Å |
| 44 | A | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F25 L29 L55 M59 N62 A63 R64 | F25-A44 HydrophobicContact CB-CB 4.32Å; F25-A44 CarbonylContact O-C 3.57Å; F25-A44 VanDerWaalsContact O-CA 3.23Å; F25-A44 WeakPolarHBondContact O-CA 3.47Å; L29-A44 HydrophobicContact CD1-CB 4.15Å; A44-L55 HydrophobicContact CB-CD1 3.9Å; A44-M59 HydrophobicContact CB-CE 4.14Å; A44-M59 HydrophobicContact CB-SD 4.24Å; A44-N62 PolarHBondContact N-O 2.92Å; A44-A63 HydrophobicContact CB-CB 4.37Å; A44-A63 CarbonylContact O-C 3.58Å; A44-A63 WeakPolarHBondContact O-CA 3.46Å; A44-R64 PolarHBondContact O-N 3.03Å |
| 45 | H | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.7 | 167.4 | 178.4 | -83.4 | 0 | 0 | 0 | 109.3 | L24 F25 A26 S66 A69 | L24-H45 HydrophobicContact CD1-CB 4.31Å; F25-H45 PolarHBondContact O-N 3.29Å; A26-H45 WeakPolarHBondContact CA-O 3.47Å; H45-S66 PolarHBondContact CE1-O 2.79Å; H45-S66 PolarHBondContact NE2-OG 2.86Å; H45-A69 WeakPolarHBondContact NE2-CA 3.44Å; H45-A69 PolarHBondContact NE2-N 2.77Å |
| 46 | T | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148 | 177.8 | -171 | 0 | 0 | 0 | 0 | 112.7 | Q48 H51 W52 R64 F65 S66 | T46-Q48 VanDerWaalsContact C-N 3.3Å; T46-Q48 WeakPolarHBondContact CG2-O 3.31Å; T46-Q48 PolarHBondContact OG1-N 2.87Å; T46-Q48 VanDerWaalsContact OG1-N 3.11Å; T46-H51 HydrophobicContact CG2-CB 4.28Å; T46-W52 HydrophobicContact CG2-CB 3.69Å; T46-R64 PolarHBondContact N-O 2.91Å; T46-F65 WeakPolarHBondContact O-CA 3.4Å; T46-F65 WeakPolarHBondContact O-CD2 3.49Å; T46-S66 PolarHBondContact O-N 2.71Å |
| 47 | Q | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -89.9 | 5.7 | 169.2 | -69.7 | -178.7 | -25.8 | 0 | 0 | 112.5 | F65 L67 S229 A230 P231 | Q47-F65 WeakPolarHBondContact O-CE2 3.42Å; Q47-L67 PolarHBondContact NE2-O 3.36Å; Q47-S229 WeakPolarHBondContact O-CA 3.4Å; Q47-A230 HydrophobicContact CB-CB 4.43Å; Q47-A230 PolarHBondContact O-N 3.01Å; Q47-P231 HydrophobicContact CB-CG 4.45Å |
| 48 | Q | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -115.9 | 112.3 | -175.1 | -60.4 | -59.1 | -28.8 | 0 | 0 | 110.9 | T46 H50 H51 W52 | T46-Q48 VanDerWaalsContact C-N 3.3Å; T46-Q48 WeakPolarHBondContact CG2-O 3.31Å; T46-Q48 PolarHBondContact OG1-N 2.87Å; T46-Q48 VanDerWaalsContact OG1-N 3.11Å; Q48-H50 VanDerWaalsContact C-N 3.33Å; Q48-H50 PolarHBondContact O-N 3.38Å; Q48-H50 PolarHBondContact OE1-CE1 3.12Å; Q48-H51 HydrophobicContact CB-CB 4.01Å; Q48-H51 VanDerWaalsContact CB-ND1 3.34Å; Q48-H51 WeakPolarHBondContact CB-ND1 3.33Å; Q48-H51 PolarHBondContact O-N 2.77Å; Q48-W52 PolarHBondContact O-N 3.3Å |
| 49 | F | 98.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 9% | 0.088 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | -173.5 | -173.9 | -104.5 | 0 | 0 | 0 | 112.7 | W52 Q53 F65 V228 A251 N253 E257 | F49-W52 AromaticContact CD2-CE3 3.76Å; F49-W52 HydrophobicContact CD2-CE3 3.76Å; F49-W52 HydrophobicContact CD2-CZ3 4.04Å; F49-W52 AromaticContact CE2-CE3 3.58Å; F49-W52 HydrophobicContact CE2-CE3 3.58Å; F49-W52 HydrophobicContact CE2-CH2 4.4Å; F49-W52 AromaticContact CE2-CZ3 3.36Å; F49-W52 HydrophobicContact CE2-CZ3 3.36Å; F49-W52 HydrophobicContact CG-CE3 4.45Å; F49-W52 HydrophobicContact CZ-CE3 4.15Å; F49-W52 AromaticContact CZ-CZ3 3.7Å; F49-W52 HydrophobicContact CZ-CZ3 3.7Å; F49-W52 WeakPolarHBondContact O-CB 3.46Å; F49-W52 PolarHBondContact O-N 3.12Å; F49-Q53 HydrophobicContact CD1-CG 4.15Å; F49-Q53 HydrophobicContact CE1-CG 3.9Å; F49-Q53 VanDerWaalsContact CE1-NE2 3.3Å; F49-Q53 HydrophobicContact CZ-CG 4.3Å; F49-Q53 WeakPolarHBondContact O-CG 3.4Å; F49-Q53 PolarHBondContact O-N 2.75Å; F49-F65 HydrophobicContact CB-CD2 4.3Å; F49-F65 HydrophobicContact CB-CE1 4.4Å; F49-F65 HydrophobicContact CB-CE2 3.79Å; F49-F65 HydrophobicContact CB-CZ 3.85Å; F49-F65 AromaticContact CD2-CD1 3.85Å; F49-F65 HydrophobicContact CD2-CD1 3.85Å; F49-F65 AromaticContact CD2-CE1 3.74Å; F49-F65 HydrophobicContact CD2-CE1 3.74Å; F49-F65 HydrophobicContact CD2-CE2 4.47Å; F49-F65 HydrophobicContact CD2-CG 4.28Å; F49-F65 HydrophobicContact CD2-CZ 4.06Å; F49-F65 HydrophobicContact CG-CZ 4.44Å; F49-F65 VanDerWaalsContact N-CE2 3.27Å; F49-V228 WeakPolarHBondContact CB-O 3.44Å; F49-V228 PolarHBondContact N-O 3.14Å; F49-A251 HydrophobicContact CB-CB 4.13Å; F49-A251 HydrophobicContact CD2-CB 3.73Å; F49-A251 HydrophobicContact CE2-CB 4.27Å; F49-A251 HydrophobicContact CG-CB 3.93Å; F49-N253 HydrophobicContact CD1-CB 4.28Å; F49-E257 HydrophobicContact CE1-CG 3.83Å; F49-E257 HydrophobicContact CZ-CG 3.78Å |
| 50 | H | 98.2 | Very high | 98.1 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 177.6 | 62.3 | -68.8 | 0 | 0 | 0 | 112.6 | Q48 Q53 V54 V228 N253 | Q48-H50 VanDerWaalsContact C-N 3.33Å; Q48-H50 PolarHBondContact O-N 3.38Å; Q48-H50 PolarHBondContact OE1-CE1 3.12Å; H50-Q53 PolarHBondContact O-N 2.75Å; H50-V54 WeakPolarHBondContact O-CG2 3.42Å; H50-V54 PolarHBondContact O-N 3.36Å; H50-V228 HydrophobicContact CB-CG1 4.12Å; H50-V228 VanDerWaalsContact ND1-CB 3.32Å; H50-V228 WeakPolarHBondContact ND1-CB 3.42Å; H50-V228 WeakPolarHBondContact ND1-CG1 3.27Å; H50-N253 HydrophobicContact CB-CB 4.03Å |
| 51 | H | 98.1 | Very high | 98.1 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 6% | 0.06 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 171.5 | -61.8 | 166.1 | 0 | 0 | 0 | 110.6 | D28 L29 Q30 T46 Q48 Q53 V54 L55 | D28-H51 IonicContact OD1-CE1 2.71Å; L29-H51 HydrophobicContact CB-CB 4.46Å; L29-H51 PolarHBondContact O-CD2 3.31Å; L29-H51 VanDerWaalsContact O-CD2 3.28Å; L29-H51 PolarHBondContact O-ND1 3.31Å; Q30-H51 PolarHBondContact NE2-CE1 2.94Å; Q30-H51 PolarHBondContact NE2-NE2 3.19Å; T46-H51 HydrophobicContact CG2-CB 4.28Å; Q48-H51 HydrophobicContact CB-CB 4.01Å; Q48-H51 VanDerWaalsContact CB-ND1 3.34Å; Q48-H51 WeakPolarHBondContact CB-ND1 3.33Å; Q48-H51 PolarHBondContact O-N 2.77Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 2.8Å; H51-V54 PolarHBondContact O-N 2.71Å; H51-V54 VanDerWaalsContact O-N 3.12Å; H51-L55 WeakPolarHBondContact O-CG 3.36Å; H51-L55 PolarHBondContact O-N 2.97Å |
| 52 | W | 98.6 | Very high | 98.1 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 29% | 0.292 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 174.8 | 168.7 | 78.2 | 0 | 0 | 0 | 112.4 | T46 Q48 F49 V54 L55 S56 A63 F65 | T46-W52 HydrophobicContact CG2-CB 3.69Å; Q48-W52 PolarHBondContact O-N 3.3Å; F49-W52 AromaticContact CD2-CE3 3.76Å; F49-W52 HydrophobicContact CD2-CE3 3.76Å; F49-W52 HydrophobicContact CD2-CZ3 4.04Å; F49-W52 AromaticContact CE2-CE3 3.58Å; F49-W52 HydrophobicContact CE2-CE3 3.58Å; F49-W52 HydrophobicContact CE2-CH2 4.4Å; F49-W52 AromaticContact CE2-CZ3 3.36Å; F49-W52 HydrophobicContact CE2-CZ3 3.36Å; F49-W52 HydrophobicContact CG-CE3 4.45Å; F49-W52 HydrophobicContact CZ-CE3 4.15Å; F49-W52 AromaticContact CZ-CZ3 3.7Å; F49-W52 HydrophobicContact CZ-CZ3 3.7Å; F49-W52 WeakPolarHBondContact O-CB 3.46Å; F49-W52 PolarHBondContact O-N 3.12Å; W52-V54 PolarHBondContact O-N 3.31Å; W52-L55 PolarHBondContact O-N 3.17Å; W52-S56 WeakPolarHBondContact O-CB 3.47Å; W52-S56 PolarHBondContact O-N 3Å; W52-S56 PolarHBondContact O-OG 3.23Å; W52-A63 VanDerWaalsContact CD1-O 3.28Å; W52-A63 PolarHBondContact NE1-O 3.11Å; W52-F65 HydrophobicContact CB-CB 3.71Å; W52-F65 HydrophobicContact CB-CD2 4.49Å; W52-F65 HydrophobicContact CB-CG 4.38Å; W52-F65 HydrophobicContact CD2-CB 3.97Å; W52-F65 HydrophobicContact CG-CB 3.5Å; W52-F65 HydrophobicContact CG-CG 4.47Å |
| 53 | Q | 98 | Very high | 98.2 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -34.7 | 176.1 | -78.4 | -175.3 | -35.5 | 0 | 0 | 112.5 | F49 H50 H51 R57 N253 S256 | F49-Q53 HydrophobicContact CD1-CG 4.15Å; F49-Q53 HydrophobicContact CE1-CG 3.9Å; F49-Q53 VanDerWaalsContact CE1-NE2 3.3Å; F49-Q53 HydrophobicContact CZ-CG 4.3Å; F49-Q53 WeakPolarHBondContact O-CG 3.4Å; F49-Q53 PolarHBondContact O-N 2.75Å; H50-Q53 PolarHBondContact O-N 2.75Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 2.8Å; Q53-R57 VanDerWaalsContact O-CD 3.25Å; Q53-R57 WeakPolarHBondContact O-CD 3.41Å; Q53-R57 WeakPolarHBondContact O-CG 3.44Å; Q53-R57 PolarHBondContact O-NE 3.28Å; Q53-N253 PolarHBondContact OE1-ND2 2.92Å; Q53-N253 VanDerWaalsContact OE1-ND2 3.13Å; Q53-S256 PolarHBondContact NE2-OG 3.22Å; Q53-S256 VanDerWaalsContact NE2-OG 3.14Å |
| 54 | V | 97.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.1 | -50.9 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | D32 H50 H51 W52 | D32-V54 HydrophobicContact CB-CG1 4.11Å; H50-V54 WeakPolarHBondContact O-CG2 3.42Å; H50-V54 PolarHBondContact O-N 3.36Å; H51-V54 PolarHBondContact O-N 2.71Å; H51-V54 VanDerWaalsContact O-N 3.12Å; W52-V54 PolarHBondContact O-N 3.31Å |
| 55 | L | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.3 | -44.5 | -174.5 | -65.3 | 177.4 | 0 | 0 | 0 | 112.8 | L29 D32 P34 A35 A44 H51 W52 R57 Q58 M59 A63 | L29-L55 HydrophobicContact CB-CD1 4.32Å; L29-L55 HydrophobicContact CD1-CD1 3.65Å; D32-L55 HydrophobicContact CB-CD2 4.48Å; P34-L55 HydrophobicContact CB-CD1 4.35Å; P34-L55 HydrophobicContact CB-CD2 3.96Å; P34-L55 HydrophobicContact CG-CD1 4.34Å; P34-L55 HydrophobicContact CG-CD2 4.16Å; A35-L55 HydrophobicContact CB-CD2 4.3Å; A44-L55 HydrophobicContact CB-CD1 3.9Å; H51-L55 WeakPolarHBondContact O-CG 3.36Å; H51-L55 PolarHBondContact O-N 2.97Å; W52-L55 PolarHBondContact O-N 3.17Å; L55-R57 PolarHBondContact O-N 3.38Å; L55-Q58 PolarHBondContact O-N 2.97Å; L55-M59 HydrophobicContact CB-SD 4.05Å; L55-M59 HydrophobicContact CD2-SD 4.22Å; L55-M59 WeakPolarHBondContact O-CB 3.44Å; L55-M59 WeakPolarHBondContact O-CG 3.45Å; L55-M59 PolarHBondContact O-N 2.84Å; L55-A63 HydrophobicContact CB-CB 3.86Å |
| 56 | S | 97.8 | Very high | 98.1 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -25.8 | -179 | 60 | 0 | 0 | 0 | 0 | 113.5 | W52 Q58 G60 | W52-S56 WeakPolarHBondContact O-CB 3.47Å; W52-S56 PolarHBondContact O-N 3Å; W52-S56 PolarHBondContact O-OG 3.23Å; S56-Q58 PolarHBondContact O-N 3.15Å; S56-G60 VanDerWaalsContact O-CA 3.29Å; S56-G60 WeakPolarHBondContact O-CA 3.25Å; S56-G60 PolarHBondContact O-N 3.43Å |
| 57 | R | 97.5 | Very high | 98.1 | Very high | 200 Ų | 200 | 51.8 Ų | 51.8 | 76% | 0.755 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.6 | -29.8 | 173.2 | -74.4 | 170 | -173.5 | -176.5 | 3.7 | 113.1 | Q53 L55 | Q53-R57 VanDerWaalsContact O-CD 3.25Å; Q53-R57 WeakPolarHBondContact O-CD 3.41Å; Q53-R57 WeakPolarHBondContact O-CG 3.44Å; Q53-R57 PolarHBondContact O-NE 3.28Å; L55-R57 PolarHBondContact O-N 3.38Å |
| 58 | Q | 96.5 | Very high | 98.1 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -104.1 | -34.4 | 179.3 | -62.8 | -175 | 18.7 | 0 | 0 | 112 | A35 L55 S56 | A35-Q58 HydrophobicContact CB-CB 3.82Å; A35-Q58 HydrophobicContact CB-CG 4.49Å; A35-Q58 VanDerWaalsContact CB-OE1 3.23Å; L55-Q58 PolarHBondContact O-N 2.97Å; S56-Q58 PolarHBondContact O-N 3.15Å |
| 59 | M | 97.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 11% | 0.108 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -99.6 | -12.7 | -172.4 | -59 | 178.8 | 75.1 | 0 | 0 | 114 | P34 A35 S42 A44 L55 D61 N62 A63 | P34-M59 HydrophobicContact CB-SD 4.25Å; A35-M59 HydrophobicContact CB-CG 3.69Å; A35-M59 HydrophobicContact CB-SD 3.96Å; S42-M59 WeakPolarHBondContact O-CE 3.2Å; A44-M59 HydrophobicContact CB-CE 4.14Å; A44-M59 HydrophobicContact CB-SD 4.24Å; L55-M59 HydrophobicContact CB-SD 4.05Å; L55-M59 HydrophobicContact CD2-SD 4.22Å; L55-M59 WeakPolarHBondContact O-CB 3.44Å; L55-M59 WeakPolarHBondContact O-CG 3.45Å; L55-M59 PolarHBondContact O-N 2.84Å; M59-D61 PolarHBondContact O-N 3.41Å; M59-N62 HydrophobicContact CB-CB 4.26Å; M59-N62 WeakPolarHBondContact O-CB 3.26Å; M59-N62 PolarHBondContact O-N 3Å; M59-A63 HydrophobicContact CB-CB 4.04Å; M59-A63 HydrophobicContact SD-CB 4.36Å |
| 60 | G | 98 | Very high | 98.1 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 38% | 0.381 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | 56 | -134.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S56 N62 A63 | S56-G60 VanDerWaalsContact O-CA 3.29Å; S56-G60 WeakPolarHBondContact O-CA 3.25Å; S56-G60 PolarHBondContact O-N 3.43Å; G60-N62 PolarHBondContact O-N 3.3Å; G60-N62 VanDerWaalsContact O-N 3.12Å; G60-A63 PolarHBondContact O-N 2.93Å; G60-A63 VanDerWaalsContact O-N 3.07Å |
| 61 | D | 97.4 | Very high | 98.1 | Very high | 136 Ų | 136 | 55.7 Ų | 55.7 | 73% | 0.727 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -67.5 | -8.3 | -178.7 | -65.3 | -23.8 | 0 | 0 | 0 | 114.3 | M59 A63 R64 | M59-D61 PolarHBondContact O-N 3.41Å; D61-A63 PolarHBondContact O-N 2.83Å; D61-R64 PolarHBondContact O-NE 3.06Å |
| 62 | N | 98.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -74 | -13.5 | 171.4 | -66.7 | -24.7 | 0 | 0 | 0 | 112.3 | S42 R43 A44 M59 G60 | S42-N62 WeakPolarHBondContact O-CB 3.46Å; R43-N62 CarbonylContact C-O 3.52Å; R43-N62 VanDerWaalsContact CA-O 3.29Å; R43-N62 WeakPolarHBondContact CA-O 3.33Å; R43-N62 HydrophobicContact CG-CB 4.49Å; R43-N62 PolarHBondContact NH1-OD1 2.98Å; A44-N62 PolarHBondContact N-O 2.92Å; M59-N62 HydrophobicContact CB-CB 4.26Å; M59-N62 WeakPolarHBondContact O-CB 3.26Å; M59-N62 PolarHBondContact O-N 3Å; G60-N62 PolarHBondContact O-N 3.3Å; G60-N62 VanDerWaalsContact O-N 3.12Å |
| 63 | A | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A44 W52 L55 M59 G60 D61 | A44-A63 HydrophobicContact CB-CB 4.37Å; A44-A63 CarbonylContact O-C 3.58Å; A44-A63 WeakPolarHBondContact O-CA 3.46Å; W52-A63 VanDerWaalsContact CD1-O 3.28Å; W52-A63 PolarHBondContact NE1-O 3.11Å; L55-A63 HydrophobicContact CB-CB 3.86Å; M59-A63 HydrophobicContact CB-CB 4.04Å; M59-A63 HydrophobicContact SD-CB 4.36Å; G60-A63 PolarHBondContact O-N 2.93Å; G60-A63 VanDerWaalsContact O-N 3.07Å; D61-A63 PolarHBondContact O-N 2.83Å |
| 64 | R | 98.7 | Very high | 98.1 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.8 | -173.6 | -62.3 | -72.4 | -173.1 | 99.2 | -3.4 | 111.3 | A44 T46 D61 D72 D73 | A44-R64 PolarHBondContact O-N 3.03Å; T46-R64 PolarHBondContact N-O 2.91Å; D61-R64 PolarHBondContact O-NE 3.06Å; R64-D72 IonicContact CZ-OD2 3Å; R64-D72 VanDerWaalsContact CZ-OD2 3.22Å; R64-D72 IonicContact NH1-OD2 3.78Å; R64-D72 PolarHBondContact NH1-OD2 2.95Å; R64-D72 IonicContact NH2-OD2 3.22Å; R64-D72 PolarHBondContact NH2-OD2 3.4Å; R64-D73 WeakPolarHBondContact CD-OD1 3.5Å; R64-D73 HydrophobicContact CG-CB 4.39Å; R64-D73 WeakPolarHBondContact CG-OD1 3.14Å; R64-D73 IonicContact CZ-OD1 2.78Å; R64-D73 IonicContact NE-OD1 2.75Å; R64-D73 IonicContact NH1-OD1 2.82Å; R64-D73 PolarHBondContact NH1-OD1 2.81Å |
| 65 | F | 98.7 | Very high | 98 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118.1 | 175.6 | 168.9 | -102.8 | 0 | 0 | 0 | 110.4 | T46 Q47 F49 W52 A230 A251 | T46-F65 WeakPolarHBondContact O-CA 3.4Å; T46-F65 WeakPolarHBondContact O-CD2 3.49Å; Q47-F65 WeakPolarHBondContact O-CE2 3.42Å; F49-F65 HydrophobicContact CB-CD2 4.3Å; F49-F65 HydrophobicContact CB-CE1 4.4Å; F49-F65 HydrophobicContact CB-CE2 3.79Å; F49-F65 HydrophobicContact CB-CZ 3.85Å; F49-F65 AromaticContact CD2-CD1 3.85Å; F49-F65 HydrophobicContact CD2-CD1 3.85Å; F49-F65 AromaticContact CD2-CE1 3.74Å; F49-F65 HydrophobicContact CD2-CE1 3.74Å; F49-F65 HydrophobicContact CD2-CE2 4.47Å; F49-F65 HydrophobicContact CD2-CG 4.28Å; F49-F65 HydrophobicContact CD2-CZ 4.06Å; F49-F65 HydrophobicContact CG-CZ 4.44Å; F49-F65 VanDerWaalsContact N-CE2 3.27Å; W52-F65 HydrophobicContact CB-CB 3.71Å; W52-F65 HydrophobicContact CB-CD2 4.49Å; W52-F65 HydrophobicContact CB-CG 4.38Å; W52-F65 HydrophobicContact CD2-CB 3.97Å; W52-F65 HydrophobicContact CG-CB 3.5Å; W52-F65 HydrophobicContact CG-CG 4.47Å; F65-A230 HydrophobicContact CE2-CB 3.82Å; F65-A230 HydrophobicContact CZ-CB 3.75Å; F65-A251 HydrophobicContact CE1-CB 3.62Å; F65-A251 HydrophobicContact CZ-CB 3.65Å |
| 66 | S | 98.6 | Very high | 98 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | trans | -164.4 | 163.7 | 174.4 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | H45 T46 V68 | H45-S66 PolarHBondContact CE1-O 2.79Å; H45-S66 PolarHBondContact NE2-OG 2.86Å; T46-S66 PolarHBondContact O-N 2.71Å; S66-V68 PolarHBondContact OG-O 2.87Å | ||
| 67 | L | 98.5 | Very high | 98 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -63.9 | -47.1 | 171.1 | 175.1 | 63.5 | 0 | 0 | 0 | 110.8 | Q47 F93 L172 A230 P231 E234 | Q47-L67 PolarHBondContact NE2-O 3.36Å; L67-F93 HydrophobicContact CD1-CE1 4.14Å; L67-F93 HydrophobicContact CD1-CZ 4.02Å; L67-F93 HydrophobicContact CG-CE1 4.46Å; L67-F93 HydrophobicContact CG-CZ 4.12Å; L67-F93 WeakPolarHBondContact O-CE1 3.26Å; L67-L172 HydrophobicContact CD1-CD1 4.05Å; L67-L172 HydrophobicContact CD2-CD1 3.61Å; L67-A230 HydrophobicContact CB-CB 4.24Å; L67-P231 HydrophobicContact CD1-CB 4.11Å; L67-P231 HydrophobicContact CD1-CG 3.66Å; L67-E234 HydrophobicContact CB-CG 4.43Å; L67-E234 HydrophobicContact CD2-CB 4.21Å; L67-E234 HydrophobicContact CD2-CG 3.93Å |
| 68 | V | 98.6 | Very high | 98 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 30% | 0.297 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -118 | 118.4 | -175.6 | -179 | 0 | 0 | 0 | 0 | 108.9 | S66 F93 N97 F153 A155 | S66-V68 PolarHBondContact OG-O 2.87Å; V68-F93 HydrophobicContact CG2-CZ 4.09Å; V68-N97 WeakPolarHBondContact CA-ND2 3.46Å; V68-F153 HydrophobicContact CG1-CE1 3.9Å; V68-F153 HydrophobicContact CG2-CE1 4.48Å; V68-A155 HydrophobicContact CG2-CB 3.89Å |
| 69 | A | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | trans | -56.6 | 146.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H45 V74 N97 L98 L101 | H45-A69 WeakPolarHBondContact NE2-CA 3.44Å; H45-A69 PolarHBondContact NE2-N 2.77Å; A69-V74 HydrophobicContact CB-CG1 4.41Å; A69-N97 PolarHBondContact N-ND2 3.17Å; A69-N97 PolarHBondContact O-OD1 3.45Å; A69-L98 HydrophobicContact CB-CD2 3.93Å; A69-L101 HydrophobicContact CB-CD1 4.22Å; A69-L101 VanDerWaalsContact O-CD1 3.31Å; A69-L101 WeakPolarHBondContact O-CD1 3.44Å | ||
| 70 | T | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | trans | -113.5 | 168.8 | 178.8 | 67.9 | 0 | 0 | 0 | 0 | 111 | D72 D73 V74 | T70-D72 PolarHBondContact O-N 2.98Å; T70-D73 WeakPolarHBondContact CB-OD2 3.41Å; T70-D73 PolarHBondContact N-OD2 2.67Å; T70-D73 PolarHBondContact O-N 2.92Å; T70-D73 VanDerWaalsContact O-N 3.11Å; T70-D73 PolarHBondContact OG1-N 3.46Å; T70-D73 PolarHBondContact OG1-OD2 3.19Å; T70-V74 PolarHBondContact O-N 3.4Å | ||
| 71 | A | 98.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 57% | 0.57 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A75 | A71-A75 WeakPolarHBondContact O-CA 3.46Å; A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 2.94Å |
| 72 | D | 98.2 | Very high | 98.3 | Very high | 90 Ų | 90 | 36.4 Ų | 36.4 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -38 | 176.3 | -177.9 | 69.2 | 0 | 0 | 0 | 112 | R64 T70 V74 A75 | R64-D72 IonicContact CZ-OD2 3Å; R64-D72 VanDerWaalsContact CZ-OD2 3.22Å; R64-D72 IonicContact NH1-OD2 3.78Å; R64-D72 PolarHBondContact NH1-OD2 2.95Å; R64-D72 IonicContact NH2-OD2 3.22Å; R64-D72 PolarHBondContact NH2-OD2 3.4Å; T70-D72 PolarHBondContact O-N 2.98Å; D72-V74 VanDerWaalsContact C-N 3.27Å; D72-V74 PolarHBondContact O-N 2.85Å; D72-A75 WeakPolarHBondContact O-CB 3.36Å; D72-A75 PolarHBondContact O-N 2.79Å |
| 73 | D | 98 | Very high | 98.3 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.6 | -179.8 | -57.4 | -45.4 | 0 | 0 | 0 | 112.2 | R64 T70 | R64-D73 WeakPolarHBondContact CD-OD1 3.5Å; R64-D73 HydrophobicContact CG-CB 4.39Å; R64-D73 WeakPolarHBondContact CG-OD1 3.14Å; R64-D73 IonicContact CZ-OD1 2.78Å; R64-D73 IonicContact NE-OD1 2.75Å; R64-D73 IonicContact NH1-OD1 2.82Å; R64-D73 PolarHBondContact NH1-OD1 2.81Å; T70-D73 WeakPolarHBondContact CB-OD2 3.41Å; T70-D73 PolarHBondContact N-OD2 2.67Å; T70-D73 PolarHBondContact O-N 2.92Å; T70-D73 VanDerWaalsContact O-N 3.11Å; T70-D73 PolarHBondContact OG1-N 3.46Å; T70-D73 PolarHBondContact OG1-OD2 3.19Å |
| 74 | V | 97.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -1.7 | 179.7 | -48.4 | 0 | 0 | 0 | 0 | 113.4 | L24 A69 T70 D72 L98 L101 L102 | L24-V74 HydrophobicContact CD2-CB 3.93Å; L24-V74 HydrophobicContact CD2-CG1 3.58Å; A69-V74 HydrophobicContact CB-CG1 4.41Å; T70-V74 PolarHBondContact O-N 3.4Å; D72-V74 VanDerWaalsContact C-N 3.27Å; D72-V74 PolarHBondContact O-N 2.85Å; V74-L98 HydrophobicContact CG1-CD2 4.24Å; V74-L101 HydrophobicContact CG1-CB 4.4Å; V74-L101 HydrophobicContact CG1-CD1 4.35Å; V74-L101 HydrophobicContact CG2-CB 3.58Å; V74-L102 HydrophobicContact CB-CD2 4.13Å; V74-L102 HydrophobicContact CB-CG 4.46Å |
| 75 | A | 96.6 | Very high | 98.2 | Very high | 32 Ų | 32 | 30.2 Ų | 30.2 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 147.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R43 A71 D72 C77 | R43-A75 WeakPolarHBondContact CD-O 3.23Å; R43-A75 PolarHBondContact NE-O 3.11Å; A71-A75 WeakPolarHBondContact O-CA 3.46Å; A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 2.94Å; D72-A75 WeakPolarHBondContact O-CB 3.36Å; D72-A75 PolarHBondContact O-N 2.79Å; A75-C77 VanDerWaalsContact C-N 3.28Å; A75-C77 PolarHBondContact O-N 3.36Å |
| 76 | D | 96.5 | Very high | 98 | Very high | 103 Ų | 103 | 35.4 Ų | 35.4 | 55% | 0.551 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 38.2 | 173.7 | -81.2 | -43.8 | 0 | 0 | 0 | 113.6 | R22 | R22-D76 IonicContact CZ-OD1 2.92Å; R22-D76 PolarHBondContact NE-O 2.89Å; R22-D76 PolarHBondContact NH1-O 3.14Å; R22-D76 VanDerWaalsContact NH2-CG 3.33Å; R22-D76 PolarHBondContact NH2-O 3.32Å; R22-D76 IonicContact NH2-OD1 3.77Å; R22-D76 PolarHBondContact NH2-OD1 3.11Å |
| 77 | C | 98.2 | Very high | 97.7 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | trans | -125.5 | 132.8 | 173.8 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | R22 L24 A75 L102 | R22-C77 CarbonylContact O-C 3.59Å; R22-C77 VanDerWaalsContact O-CA 3.29Å; R22-C77 WeakPolarHBondContact O-CA 3.49Å; L24-C77 HydrophobicContact CB-CB 3.99Å; A75-C77 VanDerWaalsContact C-N 3.28Å; A75-C77 PolarHBondContact O-N 3.36Å; C77-L102 HydrophobicContact CB-CD2 4.4Å | ||
| 78 | D | 98.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -106.2 | -10.2 | 176.4 | 54.7 | 36 | 0 | 0 | 0 | 112.8 | R22 T106 D107 | R22-D78 PolarHBondContact N-OD1 2.94Å; R22-D78 PolarHBondContact N-OD2 2.99Å; R22-D78 IonicContact NE-OD2 3.82Å; R22-D78 PolarHBondContact O-N 2.96Å; D78-T106 CarbonylContact O-C 3.52Å; D78-T106 VanDerWaalsContact O-CA 3.26Å; D78-T106 WeakPolarHBondContact O-CA 3.28Å; D78-T106 VanDerWaalsContact O-CG2 3.23Å; D78-T106 WeakPolarHBondContact O-CG2 3.41Å; D78-D107 PolarHBondContact O-N 3.07Å |
| 79 | T | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.7 | -177.6 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | R22 I23 L24 I81 D107 F109 | R22-T79 PolarHBondContact O-N 3.26Å; I23-T79 CarbonylContact C-O 3.33Å; I23-T79 WeakPolarHBondContact CA-O 3.23Å; I23-T79 HydrophobicContact CG1-CG2 4.31Å; L24-T79 PolarHBondContact N-O 2.78Å; T79-I81 HydrophobicContact CG2-CG1 4.49Å; T79-D107 CarbonylContact C-O 3.6Å; T79-D107 WeakPolarHBondContact CA-O 3.48Å; T79-D107 HydrophobicContact CG2-CB 4.29Å; T79-F109 HydrophobicContact CG2-CD2 3.96Å; T79-F109 HydrophobicContact CG2-CE2 4.17Å |
| 80 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.4 | 168.2 | 172.1 | 63.4 | 0 | 0 | 0 | 109.1 | L24 A26 L98 L99 L102 D107 I108 F109 | L24-L80 HydrophobicContact CB-CD1 4.41Å; L24-L80 HydrophobicContact CD2-CD1 4.21Å; L24-L80 HydrophobicContact CG-CD1 4.18Å; L24-L80 WeakPolarHBondContact O-CA 3.26Å; L24-L80 WeakPolarHBondContact O-CD1 3.32Å; A26-L80 HydrophobicContact CB-CD1 4.21Å; L80-L98 HydrophobicContact CD1-CD1 4.34Å; L80-L98 HydrophobicContact CD2-CB 4.48Å; L80-L99 HydrophobicContact CD2-CD2 3.97Å; L80-L102 HydrophobicContact CB-CD1 3.88Å; L80-L102 HydrophobicContact CD1-CD1 4.49Å; L80-L102 HydrophobicContact CD2-CD1 3.85Å; L80-L102 HydrophobicContact CG-CD1 4.28Å; L80-D107 PolarHBondContact N-O 3.16Å; L80-I108 HydrophobicContact CB-CD1 3.81Å; L80-I108 HydrophobicContact CD2-CD1 4.14Å; L80-I108 HydrophobicContact CD2-CG2 4.35Å; L80-F109 PolarHBondContact O-N 3.36Å |
| 81 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 107.5 | 163.2 | -65.9 | -177.1 | 0 | 0 | 0 | 108.2 | L11 F18 I23 L24 F25 A26 L37 T79 Y83 F109 | L11-I81 HydrophobicContact CD1-CG2 3.52Å; L11-I81 HydrophobicContact CD2-CD1 4.33Å; L11-I81 HydrophobicContact CD2-CG2 4.11Å; L11-I81 HydrophobicContact CG-CG2 4.47Å; F18-I81 HydrophobicContact CD1-CD1 4.08Å; F18-I81 HydrophobicContact CD2-CD1 4.47Å; F18-I81 HydrophobicContact CE1-CD1 3.83Å; F18-I81 HydrophobicContact CE1-CG1 4.41Å; F18-I81 HydrophobicContact CE2-CD1 4.24Å; F18-I81 HydrophobicContact CG-CD1 4.41Å; F18-I81 HydrophobicContact CZ-CD1 3.92Å; I23-I81 HydrophobicContact CD1-CD1 3.85Å; I23-I81 HydrophobicContact CG2-CB 4.06Å; I23-I81 HydrophobicContact CG2-CD1 3.84Å; I23-I81 HydrophobicContact CG2-CG1 3.71Å; L24-I81 PolarHBondContact O-N 3.12Å; F25-I81 WeakPolarHBondContact CA-O 3.45Å; F25-I81 HydrophobicContact CD1-CB 3.89Å; F25-I81 HydrophobicContact CD1-CD1 4.47Å; F25-I81 HydrophobicContact CD1-CG2 3.98Å; F25-I81 HydrophobicContact CE1-CB 4.07Å; F25-I81 HydrophobicContact CE1-CD1 3.76Å; F25-I81 HydrophobicContact CE1-CG1 4.43Å; F25-I81 HydrophobicContact CE1-CG2 4.14Å; F25-I81 HydrophobicContact CZ-CD1 4.22Å; A26-I81 PolarHBondContact N-O 3.15Å; L37-I81 HydrophobicContact CD2-CD1 4.37Å; T79-I81 HydrophobicContact CG2-CG1 4.49Å; I81-Y83 HydrophobicContact CG2-CD2 4.21Å; I81-Y83 HydrophobicContact CG2-CE2 3.78Å; I81-F109 HydrophobicContact CG1-CB 4.17Å |
| 82 | Y | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.6 | -178.6 | -175.5 | -102.3 | 0 | 0 | 0 | 111.9 | A26 G27 W84 P85 A91 Q94 L95 L98 F109 V110 V111 | A26-Y82 HydrophobicContact CB-CD2 4.17Å; A26-Y82 WeakPolarHBondContact O-CA 3.23Å; G27-Y82 VanDerWaalsContact CA-CE2 3.46Å; Y82-W84 HydrophobicContact CE1-CE3 4.13Å; Y82-P85 WeakPolarHBondContact OH-CD 3.19Å; Y82-A91 VanDerWaalsContact OH-CA 3.31Å; Y82-A91 WeakPolarHBondContact OH-CA 3.35Å; Y82-Q94 HydrophobicContact CE2-CB 3.91Å; Y82-Q94 PolarHBondContact OH-OE1 2.9Å; Y82-L95 HydrophobicContact CD1-CD1 4.16Å; Y82-L95 HydrophobicContact CD1-CD2 3.7Å; Y82-L95 HydrophobicContact CD1-CG 3.99Å; Y82-L95 HydrophobicContact CD2-CD2 4.08Å; Y82-L95 HydrophobicContact CE1-CD1 3.89Å; Y82-L95 HydrophobicContact CE1-CD2 4.03Å; Y82-L95 HydrophobicContact CE1-CG 3.78Å; Y82-L95 HydrophobicContact CE2-CD2 4.41Å; Y82-L95 HydrophobicContact CE2-CG 4.36Å; Y82-L95 HydrophobicContact CG-CD2 3.73Å; Y82-L95 HydrophobicContact CG-CG 4.35Å; Y82-L98 HydrophobicContact CD2-CD1 4.07Å; Y82-L98 HydrophobicContact CE2-CD1 4.28Å; Y82-F109 PolarHBondContact N-O 2.83Å; Y82-V110 HydrophobicContact CD1-CG1 4.25Å; Y82-V110 HydrophobicContact CD1-CG2 4.47Å; Y82-V110 WeakPolarHBondContact O-CA 3.46Å; Y82-V111 PolarHBondContact O-N 2.83Å |
| 83 | Y | 98.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111.5 | 174.2 | -75.1 | -105.9 | 0 | 0 | 0 | 109.9 | A7 S8 L11 F25 A26 G27 D28 L29 I81 P85 V111 | A7-Y83 HydrophobicContact CB-CD1 3.91Å; A7-Y83 HydrophobicContact CB-CE1 3.91Å; S8-Y83 WeakPolarHBondContact OG-CE1 3.49Å; S8-Y83 PolarHBondContact OG-OH 3.23Å; L11-Y83 HydrophobicContact CD1-CE1 4.26Å; L11-Y83 HydrophobicContact CD1-CE2 3.92Å; L11-Y83 VanDerWaalsContact CD1-OH 3.26Å; L11-Y83 WeakPolarHBondContact CD1-OH 3.36Å; F25-Y83 HydrophobicContact CD1-CE2 4.22Å; A26-Y83 PolarHBondContact O-N 3.39Å; G27-Y83 CarbonylContact C-O 3.31Å; G27-Y83 WeakPolarHBondContact CA-O 3.48Å; D28-Y83 PolarHBondContact N-O 3.19Å; L29-Y83 HydrophobicContact CD2-CD2 3.57Å; L29-Y83 HydrophobicContact CD2-CE2 3.97Å; L29-Y83 HydrophobicContact CD2-CG 4.23Å; I81-Y83 HydrophobicContact CG2-CD2 4.21Å; I81-Y83 HydrophobicContact CG2-CE2 3.78Å; Y83-P85 WeakPolarHBondContact O-CD 3.43Å; Y83-V111 WeakPolarHBondContact CA-O 3.33Å; Y83-V111 HydrophobicContact CD1-CG1 3.82Å; Y83-V111 HydrophobicContact CD2-CG1 4.29Å; Y83-V111 HydrophobicContact CE1-CG1 4.01Å; Y83-V111 HydrophobicContact CE2-CG1 4.44Å; Y83-V111 HydrophobicContact CG-CG1 3.99Å |
| 84 | W | 98.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 3% | 0.034 | 16% | 0.164 | C | C | . | . | trans | -65.3 | 122.6 | -175.5 | -174.8 | -88.3 | 0 | 0 | 0 | 112 | Y82 K88 A91 L95 V110 V111 S116 V118 A121 M124 | Y82-W84 HydrophobicContact CE1-CE3 4.13Å; W84-K88 HydrophobicContact CZ2-CG 4.48Å; W84-A91 HydrophobicContact CD2-CB 4.24Å; W84-A91 HydrophobicContact CE3-CB 4.06Å; W84-A91 HydrophobicContact CH2-CB 3.69Å; W84-A91 HydrophobicContact CZ2-CB 3.87Å; W84-A91 HydrophobicContact CZ3-CB 3.79Å; W84-L95 HydrophobicContact CE3-CD1 4.45Å; W84-L95 HydrophobicContact CZ3-CD1 3.9Å; W84-V110 HydrophobicContact CB-CG1 4.31Å; W84-V110 HydrophobicContact CE3-CG1 3.94Å; W84-V111 WeakPolarHBondContact CB-O 3.32Å; W84-V111 PolarHBondContact N-O 3.35Å; W84-S116 PolarHBondContact NE1-O 3.22Å; W84-V118 HydrophobicContact CB-CB 4.15Å; W84-V118 HydrophobicContact CB-CG2 3.77Å; W84-V118 HydrophobicContact CD2-CB 4.39Å; W84-V118 HydrophobicContact CD2-CG2 4.28Å; W84-V118 HydrophobicContact CG-CB 3.88Å; W84-V118 HydrophobicContact CG-CG2 3.88Å; W84-A121 HydrophobicContact CE3-CB 3.96Å; W84-A121 HydrophobicContact CH2-CB 4.35Å; W84-A121 HydrophobicContact CZ3-CB 3.64Å; W84-M124 HydrophobicContact CH2-CE 3.89Å; W84-M124 HydrophobicContact CH2-SD 3.99Å; W84-M124 HydrophobicContact CZ3-SD 4.2Å | ||
| 85 | P | 97.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | trans | -76.5 | 172.5 | -179.3 | 32.3 | -36.6 | 0 | 0 | 0 | 111.8 | D28 Y82 Y83 N87 E90 A91 | D28-P85 HydrophobicContact CB-CB 4.41Å; Y82-P85 WeakPolarHBondContact OH-CD 3.19Å; Y83-P85 WeakPolarHBondContact O-CD 3.43Å; P85-N87 PolarHBondContact O-N 2.7Å; P85-E90 HydrophobicContact CB-CG 4.32Å; P85-E90 HydrophobicContact CG-CB 4.35Å; P85-E90 HydrophobicContact CG-CG 4.14Å; P85-A91 HydrophobicContact CG-CB 3.7Å | ||
| 86 | K | 94 | Very high | 97.6 | Very high | 164 Ų | 164 | 31.4 Ų | 31.4 | 71% | 0.713 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -70.3 | -13.1 | 177.5 | -63.3 | 176.8 | -174.7 | 166.7 | 0 | 113.7 | ||
| 87 | N | 92.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 26.7 Ų | 26.7 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | trans | -122.5 | 119.2 | -167.2 | 156.4 | -1.2 | 0 | 0 | 0 | 109.6 | P85 P89 E90 A91 G174 R178 | P85-N87 PolarHBondContact O-N 2.7Å; N87-P89 WeakPolarHBondContact OD1-CB 3.24Å; N87-P89 WeakPolarHBondContact OD1-CD 3.46Å; N87-E90 HydrophobicContact CB-CB 3.96Å; N87-E90 WeakPolarHBondContact ND2-CB 3.23Å; N87-E90 PolarHBondContact O-N 3.15Å; N87-E90 PolarHBondContact OD1-N 3.09Å; N87-A91 PolarHBondContact O-N 3.39Å; N87-G174 WeakPolarHBondContact ND2-CA 3.41Å; N87-G174 PolarHBondContact ND2-N 3.18Å; N87-R178 PolarHBondContact OD1-NH2 2.79Å | ||
| 88 | K | 95.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 26.3 Ų | 26.3 | 40% | 0.396 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65.5 | -44.9 | -178.3 | -179.1 | 176.4 | -178.1 | 173 | 0 | 113.8 | W84 E90 A91 Q92 M124 | W84-K88 HydrophobicContact CZ2-CG 4.48Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 PolarHBondContact O-N 3.24Å; K88-A91 WeakPolarHBondContact O-CB 3.15Å; K88-A91 PolarHBondContact O-N 3.26Å; K88-Q92 PolarHBondContact O-N 2.69Å; K88-M124 HydrophobicContact CD-CE 4.43Å; K88-M124 HydrophobicContact CG-CE 3.67Å |
| 89 | P | 95.7 | Very high | 97.7 | Very high | 45 Ų | 45 | 23.4 Ų | 23.4 | 29% | 0.292 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -56.8 | -37.2 | 172.2 | -33.7 | 38.9 | 0 | 0 | 0 | 115.2 | N87 Q92 F93 P173 R178 | N87-P89 WeakPolarHBondContact OD1-CB 3.24Å; N87-P89 WeakPolarHBondContact OD1-CD 3.46Å; P89-Q92 PolarHBondContact O-N 2.77Å; P89-F93 PolarHBondContact O-N 2.75Å; P89-P173 HydrophobicContact CB-CB 4.17Å; P89-P173 WeakPolarHBondContact O-CB 3.38Å; P89-R178 VanDerWaalsContact CB-NH1 3.28Å; P89-R178 VanDerWaalsContact CG-NH1 3.34Å |
| 90 | E | 97.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 24.5 Ų | 24.5 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -44.8 | 173.3 | 177.3 | -177.6 | 173.3 | 0 | 0 | 110.7 | P85 N87 K88 Q92 F93 Q94 | P85-E90 HydrophobicContact CB-CG 4.32Å; P85-E90 HydrophobicContact CG-CB 4.35Å; P85-E90 HydrophobicContact CG-CG 4.14Å; N87-E90 HydrophobicContact CB-CB 3.96Å; N87-E90 WeakPolarHBondContact ND2-CB 3.23Å; N87-E90 PolarHBondContact O-N 3.15Å; N87-E90 PolarHBondContact OD1-N 3.09Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 PolarHBondContact O-N 3.24Å; E90-Q92 VanDerWaalsContact C-N 3.27Å; E90-Q92 PolarHBondContact O-N 3.11Å; E90-F93 PolarHBondContact O-N 3.14Å; E90-Q94 WeakPolarHBondContact O-CG 3.39Å; E90-Q94 PolarHBondContact O-N 3.28Å; E90-Q94 PolarHBondContact OE1-NE2 3.13Å |
| 91 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.1 | -43.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y82 W84 P85 N87 K88 Q94 L95 | Y82-A91 VanDerWaalsContact OH-CA 3.31Å; Y82-A91 WeakPolarHBondContact OH-CA 3.35Å; W84-A91 HydrophobicContact CD2-CB 4.24Å; W84-A91 HydrophobicContact CE3-CB 4.06Å; W84-A91 HydrophobicContact CH2-CB 3.69Å; W84-A91 HydrophobicContact CZ2-CB 3.87Å; W84-A91 HydrophobicContact CZ3-CB 3.79Å; P85-A91 HydrophobicContact CG-CB 3.7Å; N87-A91 PolarHBondContact O-N 3.39Å; K88-A91 WeakPolarHBondContact O-CB 3.15Å; K88-A91 PolarHBondContact O-N 3.26Å; A91-Q94 PolarHBondContact O-N 3.26Å; A91-L95 VanDerWaalsContact O-CB 3.26Å; A91-L95 WeakPolarHBondContact O-CB 3.49Å; A91-L95 WeakPolarHBondContact O-CG 2.9Å; A91-L95 PolarHBondContact O-N 3.07Å |
| 92 | Q | 98 | Very high | 97.7 | Very high | 87 Ų | 87 | 27.2 Ų | 27.2 | 41% | 0.407 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 177.6 | -170.6 | 176.9 | 2 | 0 | 0 | 111.8 | K88 P89 E90 Q94 M96 M124 F158 | K88-Q92 PolarHBondContact O-N 2.69Å; P89-Q92 PolarHBondContact O-N 2.77Å; E90-Q92 VanDerWaalsContact C-N 3.27Å; E90-Q92 PolarHBondContact O-N 3.11Å; Q92-Q94 PolarHBondContact O-N 3.38Å; Q92-M96 HydrophobicContact CG-CG 4.2Å; Q92-M96 VanDerWaalsContact O-CB 3.3Å; Q92-M96 WeakPolarHBondContact O-CB 3.5Å; Q92-M96 WeakPolarHBondContact O-CG 3.32Å; Q92-M96 PolarHBondContact O-N 3.03Å; Q92-M124 HydrophobicContact CB-CE 3.75Å; Q92-M124 HydrophobicContact CB-SD 4.1Å; Q92-M124 HydrophobicContact CG-CE 4.35Å; Q92-F158 HydrophobicContact CG-CE1 4.24Å |
| 93 | F | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.1 | -50.9 | 177.4 | -177.7 | -81.7 | 0 | 0 | 0 | 111.2 | L67 V68 P89 E90 N97 F153 A155 F158 L172 P173 | L67-F93 HydrophobicContact CD1-CE1 4.14Å; L67-F93 HydrophobicContact CD1-CZ 4.02Å; L67-F93 HydrophobicContact CG-CE1 4.46Å; L67-F93 HydrophobicContact CG-CZ 4.12Å; L67-F93 WeakPolarHBondContact O-CE1 3.26Å; V68-F93 HydrophobicContact CG2-CZ 4.09Å; P89-F93 PolarHBondContact O-N 2.75Å; E90-F93 PolarHBondContact O-N 3.14Å; F93-N97 VanDerWaalsContact O-CB 3.27Å; F93-N97 WeakPolarHBondContact O-CB 3.02Å; F93-N97 PolarHBondContact O-N 3.25Å; F93-N97 VanDerWaalsContact O-N 3.1Å; F93-F153 HydrophobicContact CD2-CE2 4.31Å; F93-F153 HydrophobicContact CD2-CZ 4.34Å; F93-F153 HydrophobicContact CE1-CZ 4.11Å; F93-F153 HydrophobicContact CE2-CE2 4.3Å; F93-F153 AromaticContact CE2-CZ 3.92Å; F93-F153 HydrophobicContact CE2-CZ 3.92Å; F93-F153 AromaticContact CZ-CZ 3.8Å; F93-F153 HydrophobicContact CZ-CZ 3.8Å; F93-A155 HydrophobicContact CE2-CB 4.35Å; F93-A155 HydrophobicContact CZ-CB 4.35Å; F93-F158 HydrophobicContact CB-CD1 4.27Å; F93-F158 HydrophobicContact CB-CE1 4.37Å; F93-F158 HydrophobicContact CD2-CB 3.6Å; F93-F158 AromaticContact CD2-CD1 3.87Å; F93-F158 HydrophobicContact CD2-CD1 3.87Å; F93-F158 HydrophobicContact CD2-CD2 4.01Å; F93-F158 AromaticContact CD2-CG 3.56Å; F93-F158 HydrophobicContact CD2-CG 3.56Å; F93-F158 HydrophobicContact CE2-CB 3.88Å; F93-F158 HydrophobicContact CE2-CD2 4.36Å; F93-F158 HydrophobicContact CE2-CG 4.15Å; F93-L172 HydrophobicContact CE2-CD2 4.42Å; F93-P173 HydrophobicContact CB-CB 3.98Å; F93-P173 HydrophobicContact CB-CG 4.06Å; F93-P173 HydrophobicContact CD2-CG 4.03Å; F93-P173 HydrophobicContact CG-CG 4.38Å |
| 94 | Q | 98.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68 | -46.8 | -175.6 | -68.4 | 171.8 | -1.9 | 0 | 0 | 111.8 | Y82 E90 A91 Q92 N97 L98 | Y82-Q94 HydrophobicContact CE2-CB 3.91Å; Y82-Q94 PolarHBondContact OH-OE1 2.9Å; E90-Q94 WeakPolarHBondContact O-CG 3.39Å; E90-Q94 PolarHBondContact O-N 3.28Å; E90-Q94 PolarHBondContact OE1-NE2 3.13Å; A91-Q94 PolarHBondContact O-N 3.26Å; Q92-Q94 PolarHBondContact O-N 3.38Å; Q94-N97 WeakPolarHBondContact O-CB 3.36Å; Q94-N97 PolarHBondContact O-N 3.26Å; Q94-L98 WeakPolarHBondContact O-CB 3.17Å; Q94-L98 WeakPolarHBondContact O-CD1 3.42Å; Q94-L98 VanDerWaalsContact O-CG 3.23Å; Q94-L98 WeakPolarHBondContact O-CG 3.23Å; Q94-L98 PolarHBondContact O-N 3.43Å |
| 95 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | -179.8 | -76.4 | 167.4 | 0 | 0 | 0 | 112.1 | Y82 W84 A91 N97 L98 L99 M124 L125 | Y82-L95 HydrophobicContact CD1-CD1 4.16Å; Y82-L95 HydrophobicContact CD1-CD2 3.7Å; Y82-L95 HydrophobicContact CD1-CG 3.99Å; Y82-L95 HydrophobicContact CD2-CD2 4.08Å; Y82-L95 HydrophobicContact CE1-CD1 3.89Å; Y82-L95 HydrophobicContact CE1-CD2 4.03Å; Y82-L95 HydrophobicContact CE1-CG 3.78Å; Y82-L95 HydrophobicContact CE2-CD2 4.41Å; Y82-L95 HydrophobicContact CE2-CG 4.36Å; Y82-L95 HydrophobicContact CG-CD2 3.73Å; Y82-L95 HydrophobicContact CG-CG 4.35Å; W84-L95 HydrophobicContact CE3-CD1 4.45Å; W84-L95 HydrophobicContact CZ3-CD1 3.9Å; A91-L95 VanDerWaalsContact O-CB 3.26Å; A91-L95 WeakPolarHBondContact O-CB 3.49Å; A91-L95 WeakPolarHBondContact O-CG 2.9Å; A91-L95 PolarHBondContact O-N 3.07Å; L95-N97 VanDerWaalsContact C-N 3.28Å; L95-N97 PolarHBondContact O-N 3Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-L99 HydrophobicContact CB-CD1 4.48Å; L95-L99 HydrophobicContact CD2-CD1 4.48Å; L95-L99 VanDerWaalsContact O-CB 3.24Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3Å; L95-M124 HydrophobicContact CD1-SD 3.8Å; L95-L125 HydrophobicContact CD1-CD1 4.08Å |
| 96 | M | 98.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.3 | -66.1 | -60.3 | 99.4 | 0 | 0 | 111.1 | Q92 S100 Y128 P151 F153 | Q92-M96 HydrophobicContact CG-CG 4.2Å; Q92-M96 VanDerWaalsContact O-CB 3.3Å; Q92-M96 WeakPolarHBondContact O-CB 3.5Å; Q92-M96 WeakPolarHBondContact O-CG 3.32Å; Q92-M96 PolarHBondContact O-N 3.03Å; M96-S100 VanDerWaalsContact O-CB 3.23Å; M96-S100 WeakPolarHBondContact O-CB 3.38Å; M96-S100 PolarHBondContact O-N 3.06Å; M96-S100 VanDerWaalsContact O-N 3.15Å; M96-S100 PolarHBondContact O-OG 3.26Å; M96-Y128 HydrophobicContact CE-CD2 3.91Å; M96-Y128 HydrophobicContact CE-CE2 3.8Å; M96-Y128 HydrophobicContact SD-CD2 4.47Å; M96-Y128 HydrophobicContact SD-CE2 3.86Å; M96-P151 HydrophobicContact CE-CG 4.36Å; M96-P151 HydrophobicContact SD-CB 3.65Å; M96-P151 HydrophobicContact SD-CG 3.97Å; M96-F153 HydrophobicContact CB-CD2 3.75Å; M96-F153 HydrophobicContact CB-CE2 4.46Å |
| 97 | N | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -61 | 174.1 | -177.1 | 4.8 | 0 | 0 | 0 | 111.8 | V68 A69 F93 Q94 L95 L99 S100 F153 | V68-N97 WeakPolarHBondContact CA-ND2 3.46Å; A69-N97 PolarHBondContact N-ND2 3.17Å; A69-N97 PolarHBondContact O-OD1 3.45Å; F93-N97 VanDerWaalsContact O-CB 3.27Å; F93-N97 WeakPolarHBondContact O-CB 3.02Å; F93-N97 PolarHBondContact O-N 3.25Å; F93-N97 VanDerWaalsContact O-N 3.1Å; Q94-N97 WeakPolarHBondContact O-CB 3.36Å; Q94-N97 PolarHBondContact O-N 3.26Å; L95-N97 VanDerWaalsContact C-N 3.28Å; L95-N97 PolarHBondContact O-N 3Å; N97-L99 PolarHBondContact O-N 3.33Å; N97-S100 PolarHBondContact O-N 2.78Å; N97-S100 PolarHBondContact O-OG 3.28Å; N97-F153 HydrophobicContact CB-CD1 3.96Å; N97-F153 HydrophobicContact CB-CD2 4.08Å; N97-F153 HydrophobicContact CB-CE1 3.74Å; N97-F153 HydrophobicContact CB-CE2 3.85Å; N97-F153 HydrophobicContact CB-CG 4.12Å; N97-F153 HydrophobicContact CB-CZ 3.68Å |
| 98 | L | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | -174.5 | -66.8 | 164.1 | 0 | 0 | 0 | 112.1 | L24 A26 A69 V74 L80 Y82 Q94 L95 S100 L101 L102 | L24-L98 HydrophobicContact CD2-CD2 3.92Å; A26-L98 HydrophobicContact CB-CD1 3.49Å; A26-L98 VanDerWaalsContact CB-CD1 3.49Å; A26-L98 HydrophobicContact CB-CD2 4.3Å; A69-L98 HydrophobicContact CB-CD2 3.93Å; V74-L98 HydrophobicContact CG1-CD2 4.24Å; L80-L98 HydrophobicContact CD1-CD1 4.34Å; L80-L98 HydrophobicContact CD2-CB 4.48Å; Y82-L98 HydrophobicContact CD2-CD1 4.07Å; Y82-L98 HydrophobicContact CE2-CD1 4.28Å; Q94-L98 WeakPolarHBondContact O-CB 3.17Å; Q94-L98 WeakPolarHBondContact O-CD1 3.42Å; Q94-L98 VanDerWaalsContact O-CG 3.23Å; Q94-L98 WeakPolarHBondContact O-CG 3.23Å; Q94-L98 PolarHBondContact O-N 3.43Å; L95-L98 PolarHBondContact O-N 3.38Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 3.32Å; L98-L101 PolarHBondContact O-N 2.86Å; L98-L101 VanDerWaalsContact O-N 3.11Å; L98-L102 HydrophobicContact CB-CD1 4.44Å; L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 3.11Å |
| 99 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71 | -22.1 | -177.8 | -62.1 | 176.5 | 0 | 0 | 0 | 112.9 | L80 L95 N97 L101 L102 I108 L125 L147 Q150 P151 | L80-L99 HydrophobicContact CD2-CD2 3.97Å; L95-L99 HydrophobicContact CB-CD1 4.48Å; L95-L99 HydrophobicContact CD2-CD1 4.48Å; L95-L99 VanDerWaalsContact O-CB 3.24Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3Å; N97-L99 PolarHBondContact O-N 3.33Å; L99-L101 PolarHBondContact O-N 2.93Å; L99-L102 HydrophobicContact CD2-CD1 4.29Å; L99-I108 HydrophobicContact CD2-CD1 3.53Å; L99-I108 HydrophobicContact CD2-CG1 4.08Å; L99-L125 HydrophobicContact CD1-CD2 3.11Å; L99-L147 HydrophobicContact CB-CD1 4.2Å; L99-L147 HydrophobicContact CB-CD2 4.44Å; L99-L147 HydrophobicContact CD2-CD1 4.08Å; L99-L147 HydrophobicContact CD2-CD2 4.15Å; L99-L147 HydrophobicContact CG-CD1 4.5Å; L99-Q150 WeakPolarHBondContact O-CG 3.47Å; L99-P151 HydrophobicContact CB-CG 3.86Å |
| 100 | S | 98.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 18% | 0.175 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.7 | -18.1 | 173 | 74.6 | 0 | 0 | 0 | 0 | 113 | M96 N97 L98 P151 F153 | M96-S100 VanDerWaalsContact O-CB 3.23Å; M96-S100 WeakPolarHBondContact O-CB 3.38Å; M96-S100 PolarHBondContact O-N 3.06Å; M96-S100 VanDerWaalsContact O-N 3.15Å; M96-S100 PolarHBondContact O-OG 3.26Å; N97-S100 PolarHBondContact O-N 2.78Å; N97-S100 PolarHBondContact O-OG 3.28Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 3.32Å; S100-P151 WeakPolarHBondContact CA-O 3.43Å; S100-P151 WeakPolarHBondContact CB-O 3.34Å; S100-F153 WeakPolarHBondContact OG-CB 3.37Å |
| 101 | L | 98.6 | Very high | 98.6 | Very high | 56 Ų | 56 | 21.7 Ų | 21.7 | 29% | 0.293 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -108.2 | -33.9 | -175.2 | -58.4 | 169.7 | 0 | 0 | 0 | 112.5 | A69 V74 L98 L99 | A69-L101 HydrophobicContact CB-CD1 4.22Å; A69-L101 VanDerWaalsContact O-CD1 3.31Å; A69-L101 WeakPolarHBondContact O-CD1 3.44Å; V74-L101 HydrophobicContact CG1-CB 4.4Å; V74-L101 HydrophobicContact CG1-CD1 4.35Å; V74-L101 HydrophobicContact CG2-CB 3.58Å; L98-L101 PolarHBondContact O-N 2.86Å; L98-L101 VanDerWaalsContact O-N 3.11Å; L99-L101 PolarHBondContact O-N 2.93Å |
| 102 | L | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -67.4 | 139.9 | 179.7 | -75.4 | 162.4 | 0 | 0 | 0 | 111.8 | L24 V74 C77 L80 L98 L99 T106 L147 Q150 | L24-L102 HydrophobicContact CD2-CD1 4.49Å; L24-L102 HydrophobicContact CD2-CD2 4.3Å; V74-L102 HydrophobicContact CB-CD2 4.13Å; V74-L102 HydrophobicContact CB-CG 4.46Å; C77-L102 HydrophobicContact CB-CD2 4.4Å; L80-L102 HydrophobicContact CB-CD1 3.88Å; L80-L102 HydrophobicContact CD1-CD1 4.49Å; L80-L102 HydrophobicContact CD2-CD1 3.85Å; L80-L102 HydrophobicContact CG-CD1 4.28Å; L98-L102 HydrophobicContact CB-CD1 4.44Å; L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 3.11Å; L99-L102 HydrophobicContact CD2-CD1 4.29Å; L102-T106 HydrophobicContact CB-CG2 4.36Å; L102-T106 HydrophobicContact CD1-CG2 4.31Å; L102-T106 HydrophobicContact CD2-CG2 4.11Å; L102-T106 HydrophobicContact CG-CG2 4.5Å; L102-L147 HydrophobicContact CB-CD2 4.01Å; L102-L147 WeakPolarHBondContact O-CD2 3.46Å; L102-Q150 PolarHBondContact O-NE2 2.89Å |
| 103 | P | 98.1 | Very high | 98.5 | Very high | 70 Ų | 70 | 20 Ų | 20 | 46% | 0.455 | 12% | 0.121 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 147.6 | 179.2 | -24.3 | 33.8 | 0 | 0 | 0 | 113.8 | G105 T106 | P103-G105 PolarHBondContact O-N 2.87Å; P103-T106 WeakPolarHBondContact O-CB 3.36Å; P103-T106 PolarHBondContact O-N 2.89Å; P103-T106 VanDerWaalsContact O-N 3.14Å; P103-T106 PolarHBondContact O-OG1 2.86Å |
| 104 | V | 98.5 | Very high | 98.4 | Very high | 91 Ų | 91 | 21.7 Ų | 21.7 | 55% | 0.552 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 132.1 | 164.7 | 174 | 0 | 0 | 0 | 0 | 108.7 | L147 E148 Q150 | V104-L147 CarbonylContact C-O 3.56Å; V104-L147 WeakPolarHBondContact CG1-O 3.21Å; V104-E148 WeakPolarHBondContact CG1-O 3.32Å; V104-Q150 HydrophobicContact CG2-CG 4.27Å |
| 105 | G | 98.3 | Very high | 98.2 | Very high | 32 Ų | 32 | 31 Ų | 31 | 33% | 0.33 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | -8.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | P103 R146 L147 | P103-G105 PolarHBondContact O-N 2.87Å; G105-R146 WeakPolarHBondContact O-CD 3.41Å; G105-R146 VanDerWaalsContact O-CG 3.29Å; G105-R146 WeakPolarHBondContact O-CG 3.47Å; G105-R146 PolarHBondContact O-NE 3.05Å; G105-R146 VanDerWaalsContact O-NE 3.12Å; G105-L147 PolarHBondContact N-O 3.36Å |
| 106 | T | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | trans | -60.8 | 135.4 | 173.6 | -62.7 | 0 | 0 | 0 | 0 | 111 | D78 L102 P103 I108 R146 L147 | D78-T106 CarbonylContact O-C 3.52Å; D78-T106 VanDerWaalsContact O-CA 3.26Å; D78-T106 WeakPolarHBondContact O-CA 3.28Å; D78-T106 VanDerWaalsContact O-CG2 3.23Å; D78-T106 WeakPolarHBondContact O-CG2 3.41Å; L102-T106 HydrophobicContact CB-CG2 4.36Å; L102-T106 HydrophobicContact CD1-CG2 4.31Å; L102-T106 HydrophobicContact CD2-CG2 4.11Å; L102-T106 HydrophobicContact CG-CG2 4.5Å; P103-T106 WeakPolarHBondContact O-CB 3.36Å; P103-T106 PolarHBondContact O-N 2.89Å; P103-T106 VanDerWaalsContact O-N 3.14Å; P103-T106 PolarHBondContact O-OG1 2.86Å; T106-I108 HydrophobicContact CG2-CD1 3.8Å; T106-R146 WeakPolarHBondContact O-CA 3.47Å; T106-L147 PolarHBondContact O-N 2.81Å | ||
| 107 | D | 98.7 | Very high | 97.9 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 126.8 | 174.6 | -75.5 | -25.7 | 0 | 0 | 0 | 110.5 | D78 T79 L80 F109 F144 R146 | D78-D107 PolarHBondContact O-N 3.07Å; T79-D107 CarbonylContact C-O 3.6Å; T79-D107 WeakPolarHBondContact CA-O 3.48Å; T79-D107 HydrophobicContact CG2-CB 4.29Å; L80-D107 PolarHBondContact N-O 3.16Å; D107-F109 HydrophobicContact CB-CE2 4.35Å; D107-F144 HydrophobicContact CB-CE2 3.93Å; D107-R146 IonicContact OD1-CZ 2.77Å; D107-R146 VanDerWaalsContact OD1-CZ 3.23Å; D107-R146 IonicContact OD1-NE 3.79Å; D107-R146 PolarHBondContact OD1-NE 2.95Å; D107-R146 IonicContact OD1-NH2 3.22Å; D107-R146 PolarHBondContact OD1-NH2 3.46Å; D107-R146 IonicContact OD2-CZ 2.7Å; D107-R146 IonicContact OD2-NH2 3.94Å; D107-R146 PolarHBondContact OD2-NH2 3.05Å |
| 108 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 111.8 | -173.6 | -50.6 | -55.2 | 0 | 0 | 0 | 109.2 | L80 L99 T106 V110 A129 L131 F144 G145 L147 | L80-I108 HydrophobicContact CB-CD1 3.81Å; L80-I108 HydrophobicContact CD2-CD1 4.14Å; L80-I108 HydrophobicContact CD2-CG2 4.35Å; L99-I108 HydrophobicContact CD2-CD1 3.53Å; L99-I108 HydrophobicContact CD2-CG1 4.08Å; T106-I108 HydrophobicContact CG2-CD1 3.8Å; I108-V110 HydrophobicContact CG2-CG2 4.31Å; I108-A129 HydrophobicContact CB-CB 4.49Å; I108-A129 HydrophobicContact CG1-CB 4.02Å; I108-L131 HydrophobicContact CG2-CD2 4.47Å; I108-F144 CarbonylContact O-C 3.45Å; I108-F144 WeakPolarHBondContact O-CA 3.39Å; I108-G145 PolarHBondContact N-O 2.87Å; I108-G145 PolarHBondContact O-N 3.21Å; I108-L147 HydrophobicContact CD1-CB 4.24Å; I108-L147 HydrophobicContact CG1-CB 4.14Å |
| 109 | F | 98.7 | Very high | 97.7 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 10% | 0.101 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.4 | 169.7 | -70.6 | -92.9 | 0 | 0 | 0 | 110.2 | F18 T79 L80 I81 Y82 D107 L142 Y143 F144 | F18-F109 HydrophobicContact CE1-CD1 4.42Å; F18-F109 AromaticContact CE1-CD2 3.92Å; F18-F109 HydrophobicContact CE1-CD2 3.92Å; F18-F109 HydrophobicContact CE1-CE1 4.2Å; F18-F109 AromaticContact CE1-CE2 3.7Å; F18-F109 HydrophobicContact CE1-CE2 3.7Å; F18-F109 HydrophobicContact CE1-CG 4.27Å; F18-F109 AromaticContact CE1-CZ 3.83Å; F18-F109 HydrophobicContact CE1-CZ 3.83Å; F18-F109 HydrophobicContact CZ-CD1 4.26Å; F18-F109 HydrophobicContact CZ-CE1 4.18Å; F18-F109 HydrophobicContact CZ-CE2 4.44Å; F18-F109 HydrophobicContact CZ-CG 4.41Å; F18-F109 HydrophobicContact CZ-CZ 4.26Å; T79-F109 HydrophobicContact CG2-CD2 3.96Å; T79-F109 HydrophobicContact CG2-CE2 4.17Å; L80-F109 PolarHBondContact O-N 3.36Å; I81-F109 HydrophobicContact CG1-CB 4.17Å; Y82-F109 PolarHBondContact N-O 2.83Å; D107-F109 HydrophobicContact CB-CE2 4.35Å; F109-L142 HydrophobicContact CB-CD1 4.49Å; F109-L142 HydrophobicContact CD1-CD1 4.09Å; F109-L142 HydrophobicContact CD1-CG 4.48Å; F109-Y143 CarbonylContact C-O 3.53Å; F109-Y143 VanDerWaalsContact CA-O 3.28Å; F109-Y143 WeakPolarHBondContact CA-O 3.5Å; F109-F144 HydrophobicContact CD1-CB 4.18Å; F109-F144 HydrophobicContact CD1-CD2 4.08Å; F109-F144 HydrophobicContact CD2-CD2 4.06Å; F109-F144 HydrophobicContact CE1-CB 4Å; F109-F144 AromaticContact CE1-CD2 3.62Å; F109-F144 HydrophobicContact CE1-CD2 3.62Å; F109-F144 HydrophobicContact CE1-CE2 4.49Å; F109-F144 HydrophobicContact CE1-CG 4.11Å; F109-F144 AromaticContact CE2-CD2 3.57Å; F109-F144 HydrophobicContact CE2-CD2 3.57Å; F109-F144 AromaticContact CE2-CE2 3.82Å; F109-F144 HydrophobicContact CE2-CE2 3.82Å; F109-F144 HydrophobicContact CG-CD2 4.31Å; F109-F144 AromaticContact CZ-CD2 3.34Å; F109-F144 HydrophobicContact CZ-CD2 3.34Å; F109-F144 AromaticContact CZ-CE2 3.79Å; F109-F144 HydrophobicContact CZ-CE2 3.79Å; F109-F144 HydrophobicContact CZ-CG 4.2Å |
| 110 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.9 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | Y82 W84 I108 V118 A121 L125 L131 Y143 | Y82-V110 HydrophobicContact CD1-CG1 4.25Å; Y82-V110 HydrophobicContact CD1-CG2 4.47Å; Y82-V110 WeakPolarHBondContact O-CA 3.46Å; W84-V110 HydrophobicContact CB-CG1 4.31Å; W84-V110 HydrophobicContact CE3-CG1 3.94Å; I108-V110 HydrophobicContact CG2-CG2 4.31Å; V110-V118 HydrophobicContact CG1-CG2 3.97Å; V110-A121 HydrophobicContact CB-CB 4.39Å; V110-A121 HydrophobicContact CG1-CB 3.88Å; V110-L125 HydrophobicContact CG2-CD1 4.1Å; V110-L131 HydrophobicContact CB-CD1 4.32Å; V110-L131 HydrophobicContact CG2-CD1 3.93Å; V110-Y143 PolarHBondContact N-O 3.36Å; V110-Y143 PolarHBondContact O-N 3.03Å |
| 111 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.9 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | A7 V10 L11 Y82 Y83 W84 G141 L142 | A7-V111 HydrophobicContact CB-CG1 4.25Å; A7-V111 HydrophobicContact CB-CG2 3.93Å; V10-V111 HydrophobicContact CB-CG2 4.35Å; V10-V111 HydrophobicContact CG1-CG2 4.43Å; L11-V111 HydrophobicContact CD1-CG1 3.92Å; L11-V111 HydrophobicContact CD2-CB 4.41Å; L11-V111 HydrophobicContact CD2-CG1 4.43Å; L11-V111 HydrophobicContact CG-CB 4.45Å; L11-V111 HydrophobicContact CG-CG1 4.2Å; L11-V111 HydrophobicContact CG-CG2 4.46Å; Y82-V111 PolarHBondContact O-N 2.83Å; Y83-V111 WeakPolarHBondContact CA-O 3.33Å; Y83-V111 HydrophobicContact CD1-CG1 3.82Å; Y83-V111 HydrophobicContact CD2-CG1 4.29Å; Y83-V111 HydrophobicContact CE1-CG1 4.01Å; Y83-V111 HydrophobicContact CE2-CG1 4.44Å; Y83-V111 HydrophobicContact CG-CG1 3.99Å; W84-V111 WeakPolarHBondContact CB-O 3.32Å; W84-V111 PolarHBondContact N-O 3.35Å; V111-G141 WeakPolarHBondContact CA-O 3.42Å; V111-L142 HydrophobicContact CB-CD1 3.93Å; V111-L142 HydrophobicContact CG2-CD1 4.27Å |
| 112 | G | 98 | Very high | 97.6 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | 169.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V118 C140 G141 | G112-V118 WeakPolarHBondContact O-CG1 3.49Å; G112-C140 CarbonylContact O-C 3.57Å; G112-C140 WeakPolarHBondContact O-CA 3.32Å; G112-C140 VanDerWaalsContact O-CB 3.3Å; G112-C140 WeakPolarHBondContact O-CB 3.38Å; G112-G141 PolarHBondContact N-O 3.38Å; G112-G141 VanDerWaalsContact N-O 3.16Å; G112-G141 PolarHBondContact O-N 2.75Å |
| 113 | E | 96.7 | Very high | 97.6 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 22% | 0.224 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 137.4 | 179.4 | -64.4 | -175.4 | 178.3 | 0 | 0 | 111.8 | R115 S116 | E113-R115 HydrophobicContact CB-CG 4.19Å; E113-R115 PolarHBondContact O-N 3.1Å; E113-R115 IonicContact OE1-NH2 3.82Å; E113-R115 PolarHBondContact OE1-NH2 2.79Å; E113-R115 IonicContact OE2-CZ 3.28Å; E113-R115 IonicContact OE2-NE 3.65Å; E113-R115 PolarHBondContact OE2-NE 3.42Å; E113-R115 IonicContact OE2-NH2 2.97Å; E113-R115 PolarHBondContact OE2-NH2 3.46Å; E113-S116 PolarHBondContact O-N 3.47Å |
| 114 | N | 95.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 20% | 0.198 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -58.6 | -35.6 | 176.8 | -75.8 | -79 | 0 | 0 | 0 | 112.3 | S116 G117 R119 R139 | N114-S116 PolarHBondContact O-N 3Å; N114-G117 PolarHBondContact O-N 2.87Å; N114-G117 VanDerWaalsContact O-N 3.13Å; N114-R119 PolarHBondContact OD1-NE 2.6Å; N114-R119 PolarHBondContact OD1-NH2 3.36Å; N114-R139 WeakPolarHBondContact CB-O 3.3Å; N114-R139 PolarHBondContact N-O 3.05Å; N114-R139 VanDerWaalsContact ND2-C 3.32Å; N114-R139 PolarHBondContact ND2-O 3.16Å |
| 115 | R | 95.4 | Very high | 97.6 | Very high | 208 Ų | 208 | 42.4 Ų | 42.4 | 79% | 0.785 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -69.9 | -21.3 | 178.8 | 68.7 | 171.2 | 177.8 | -173.7 | -8.3 | 113.5 | E113 | E113-R115 HydrophobicContact CB-CG 4.19Å; E113-R115 PolarHBondContact O-N 3.1Å; E113-R115 IonicContact OE1-NH2 3.82Å; E113-R115 PolarHBondContact OE1-NH2 2.79Å; E113-R115 IonicContact OE2-CZ 3.28Å; E113-R115 IonicContact OE2-NE 3.65Å; E113-R115 PolarHBondContact OE2-NE 3.42Å; E113-R115 IonicContact OE2-NH2 2.97Å; E113-R115 PolarHBondContact OE2-NH2 3.46Å |
| 116 | S | 94.9 | Very high | 97.6 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -86.2 | 2.4 | 174.6 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | W84 E113 N114 | W84-S116 PolarHBondContact NE1-O 3.22Å; E113-S116 PolarHBondContact O-N 3.47Å; N114-S116 PolarHBondContact O-N 3Å |
| 117 | G | 96.1 | Very high | 97.6 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 21.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N114 R119 S120 | N114-G117 PolarHBondContact O-N 2.87Å; N114-G117 VanDerWaalsContact O-N 3.13Å; G117-R119 PolarHBondContact O-N 2.94Å; G117-S120 VanDerWaalsContact O-CB 3.29Å; G117-S120 WeakPolarHBondContact O-CB 3.39Å; G117-S120 PolarHBondContact O-N 3.43Å; G117-S120 PolarHBondContact O-OG 3.09Å |
| 118 | V | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -27.6 | -179.5 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | W84 V110 G112 S120 A121 Y143 | W84-V118 HydrophobicContact CB-CB 4.15Å; W84-V118 HydrophobicContact CB-CG2 3.77Å; W84-V118 HydrophobicContact CD2-CB 4.39Å; W84-V118 HydrophobicContact CD2-CG2 4.28Å; W84-V118 HydrophobicContact CG-CB 3.88Å; W84-V118 HydrophobicContact CG-CG2 3.88Å; V110-V118 HydrophobicContact CG1-CG2 3.97Å; G112-V118 WeakPolarHBondContact O-CG1 3.49Å; V118-S120 PolarHBondContact O-N 3.26Å; V118-A121 WeakPolarHBondContact O-CB 3.39Å; V118-A121 PolarHBondContact O-N 3.32Å; V118-Y143 HydrophobicContact CG1-CE2 4.04Å; V118-Y143 HydrophobicContact CG2-CD2 4.15Å; V118-Y143 HydrophobicContact CG2-CE2 3.9Å |
| 119 | R | 96.8 | Very high | 97.5 | Very high | 154 Ų | 154 | 50.5 Ų | 50.5 | 58% | 0.581 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.2 | 174.9 | -60 | 179 | -175.5 | -173.8 | -0.4 | 113.3 | N114 G117 A121 Y143 | N114-R119 PolarHBondContact OD1-NE 2.6Å; N114-R119 PolarHBondContact OD1-NH2 3.36Å; G117-R119 PolarHBondContact O-N 2.94Å; R119-A121 PolarHBondContact O-N 3.14Å; R119-Y143 WeakPolarHBondContact CG-OH 3.42Å |
| 120 | S | 97.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -16.2 | 175 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | G117 V118 E122 Q123 M124 | G117-S120 VanDerWaalsContact O-CB 3.29Å; G117-S120 WeakPolarHBondContact O-CB 3.39Å; G117-S120 PolarHBondContact O-N 3.43Å; G117-S120 PolarHBondContact O-OG 3.09Å; V118-S120 PolarHBondContact O-N 3.26Å; S120-E122 VanDerWaalsContact C-N 3.33Å; S120-E122 PolarHBondContact O-N 3.3Å; S120-Q123 PolarHBondContact O-N 2.96Å; S120-M124 VanDerWaalsContact O-CB 3.29Å; S120-M124 WeakPolarHBondContact O-CB 3.31Å; S120-M124 PolarHBondContact O-N 2.98Å |
| 121 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W84 V110 V118 R119 Q123 M124 L125 L131 | W84-A121 HydrophobicContact CE3-CB 3.96Å; W84-A121 HydrophobicContact CH2-CB 4.35Å; W84-A121 HydrophobicContact CZ3-CB 3.64Å; V110-A121 HydrophobicContact CB-CB 4.39Å; V110-A121 HydrophobicContact CG1-CB 3.88Å; V118-A121 WeakPolarHBondContact O-CB 3.39Å; V118-A121 PolarHBondContact O-N 3.32Å; R119-A121 PolarHBondContact O-N 3.14Å; A121-Q123 PolarHBondContact O-N 3.38Å; A121-M124 PolarHBondContact O-N 2.69Å; A121-L125 HydrophobicContact CB-CD1 4.26Å; A121-L125 WeakPolarHBondContact O-CB 3.46Å; A121-L125 PolarHBondContact O-N 3.23Å; A121-L131 HydrophobicContact CB-CD1 3.75Å |
| 122 | E | 97.8 | Very high | 97.5 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.4 | -50.3 | 179.6 | -69.2 | 177.8 | 148.2 | 0 | 0 | 111.5 | S120 A126 L131 Y143 | S120-E122 VanDerWaalsContact C-N 3.33Å; S120-E122 PolarHBondContact O-N 3.3Å; E122-A126 PolarHBondContact O-N 3.03Å; E122-A126 VanDerWaalsContact O-N 3.1Å; E122-L131 HydrophobicContact CG-CB 4.15Å; E122-Y143 HydrophobicContact CG-CD1 3.77Å; E122-Y143 HydrophobicContact CG-CE1 3.79Å; E122-Y143 WeakPolarHBondContact OE1-CE1 3.47Å |
| 123 | Q | 98 | Very high | 97.4 | Very high | 156 Ų | 156 | 62.1 Ų | 62.1 | 73% | 0.729 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.9 | -37.2 | 178.4 | -171.8 | -177.5 | 13.7 | 0 | 0 | 112.3 | S120 A121 L125 | S120-Q123 PolarHBondContact O-N 2.96Å; A121-Q123 PolarHBondContact O-N 3.38Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 3.33Å |
| 124 | M | 98 | Very high | 97.4 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | -178.9 | -177.6 | 175.6 | -71.7 | 0 | 0 | 112.4 | W84 K88 Q92 L95 S120 A121 | W84-M124 HydrophobicContact CH2-CE 3.89Å; W84-M124 HydrophobicContact CH2-SD 3.99Å; W84-M124 HydrophobicContact CZ3-SD 4.2Å; K88-M124 HydrophobicContact CD-CE 4.43Å; K88-M124 HydrophobicContact CG-CE 3.67Å; Q92-M124 HydrophobicContact CB-CE 3.75Å; Q92-M124 HydrophobicContact CB-SD 4.1Å; Q92-M124 HydrophobicContact CG-CE 4.35Å; L95-M124 HydrophobicContact CD1-SD 3.8Å; S120-M124 VanDerWaalsContact O-CB 3.29Å; S120-M124 WeakPolarHBondContact O-CB 3.31Å; S120-M124 PolarHBondContact O-N 2.98Å; A121-M124 PolarHBondContact O-N 2.69Å |
| 125 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -107.3 | -0 | -172.1 | -68.9 | 157.1 | 0 | 0 | 0 | 113.6 | L95 L99 V110 A121 Q123 D127 Y128 A129 L131 | L95-L125 HydrophobicContact CD1-CD1 4.08Å; L99-L125 HydrophobicContact CD1-CD2 3.11Å; V110-L125 HydrophobicContact CG2-CD1 4.1Å; A121-L125 HydrophobicContact CB-CD1 4.26Å; A121-L125 WeakPolarHBondContact O-CB 3.46Å; A121-L125 PolarHBondContact O-N 3.23Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 3.33Å; L125-D127 PolarHBondContact O-N 3.06Å; L125-D127 VanDerWaalsContact O-N 3.09Å; L125-Y128 PolarHBondContact O-N 3.18Å; L125-A129 CarbonylContact O-C 3.47Å; L125-A129 PolarHBondContact O-N 2.78Å; L125-L131 HydrophobicContact CB-CD1 4.34Å; L125-L131 HydrophobicContact CB-CG 4.29Å; L125-L131 HydrophobicContact CD1-CD1 3.46Å; L125-L131 VanDerWaalsContact CD1-CD1 3.46Å; L125-L131 HydrophobicContact CD1-CG 4.13Å |
| 126 | A | 98.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -37.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E122 | E122-A126 PolarHBondContact O-N 3.03Å; E122-A126 VanDerWaalsContact O-N 3.1Å |
| 127 | D | 98.1 | Very high | 97.2 | Very high | 128 Ų | 128 | 55.6 Ų | 55.6 | 68% | 0.684 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.8 | -177.5 | -67.2 | -23.4 | 0 | 0 | 0 | 114.2 | L125 | L125-D127 PolarHBondContact O-N 3.06Å; L125-D127 VanDerWaalsContact O-N 3.09Å |
| 128 | Y | 98.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -50.3 | -171.5 | -51.8 | -60.7 | 0 | 0 | 0 | 112.4 | M96 L125 E148 K149 P151 | M96-Y128 HydrophobicContact CE-CD2 3.91Å; M96-Y128 HydrophobicContact CE-CE2 3.8Å; M96-Y128 HydrophobicContact SD-CD2 4.47Å; M96-Y128 HydrophobicContact SD-CE2 3.86Å; L125-Y128 PolarHBondContact O-N 3.18Å; Y128-E148 PolarHBondContact O-N 3.09Å; Y128-K149 WeakPolarHBondContact CA-O 3.38Å; Y128-K149 WeakPolarHBondContact CB-O 3.3Å; Y128-K149 PolarHBondContact O-N 3.47Å; Y128-K149 VanDerWaalsContact O-N 3.12Å; Y128-P151 HydrophobicContact CD1-CB 3.92Å; Y128-P151 HydrophobicContact CD1-CG 4.47Å; Y128-P151 HydrophobicContact CE1-CB 3.63Å; Y128-P151 HydrophobicContact CE2-CB 4.27Å; Y128-P151 HydrophobicContact CG-CB 4.37Å |
| 129 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -146.4 | 83.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | I108 L125 L131 R146 L147 | I108-A129 HydrophobicContact CB-CB 4.49Å; I108-A129 HydrophobicContact CG1-CB 4.02Å; L125-A129 CarbonylContact O-C 3.47Å; L125-A129 PolarHBondContact O-N 2.78Å; A129-L131 WeakPolarHBondContact O-CG 3.45Å; A129-L131 PolarHBondContact O-N 3.49Å; A129-L131 VanDerWaalsContact O-N 3.07Å; A129-R146 WeakPolarHBondContact CA-O 3.24Å; A129-L147 HydrophobicContact CB-CD1 4.19Å |
| 130 | P | 98.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 63 Ų | 63 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | trans | -54.4 | 117 | -178.2 | -25.3 | 34 | 0 | 0 | 0 | 111.3 | G145 | P130-G145 WeakPolarHBondContact O-CA 3.23Š| ||
| 131 | L | 98.5 | Very high | 96.7 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | trans | -94.8 | 140.7 | -175.7 | -67.7 | -175.6 | 0 | 0 | 0 | 111.7 | I108 V110 A121 E122 L125 A129 F144 | I108-L131 HydrophobicContact CG2-CD2 4.47Å; V110-L131 HydrophobicContact CB-CD1 4.32Å; V110-L131 HydrophobicContact CG2-CD1 3.93Å; A121-L131 HydrophobicContact CB-CD1 3.75Å; E122-L131 HydrophobicContact CG-CB 4.15Å; L125-L131 HydrophobicContact CB-CD1 4.34Å; L125-L131 HydrophobicContact CB-CG 4.29Å; L125-L131 HydrophobicContact CD1-CD1 3.46Å; L125-L131 VanDerWaalsContact CD1-CD1 3.46Å; L125-L131 HydrophobicContact CD1-CG 4.13Å; A129-L131 WeakPolarHBondContact O-CG 3.45Å; A129-L131 PolarHBondContact O-N 3.49Å; A129-L131 VanDerWaalsContact O-N 3.07Å; L131-F144 CarbonylContact C-O 3.48Å; L131-F144 WeakPolarHBondContact CA-O 3.42Å | ||
| 132 | N | 97.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 61.4 Ų | 61.4 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.2 | 167.1 | -65.8 | -75.7 | 0 | 0 | 0 | 109.5 | V134 Y143 F144 | N132-V134 PolarHBondContact O-N 2.9Å; N132-Y143 CarbonylContact O-C 3.6Å; N132-Y143 VanDerWaalsContact O-CA 3.32Å; N132-Y143 WeakPolarHBondContact O-CA 3.17Å; N132-F144 PolarHBondContact N-O 3.3Å; N132-F144 PolarHBondContact O-N 2.88Å |
| 133 | K | 97.4 | Very high | 96.7 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 41% | 0.409 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 122.7 | 174.8 | -165.4 | 180 | -176.4 | -167.9 | 0 | 110.9 | S136 Y143 | K133-S136 VanDerWaalsContact NZ-CB 3.31Å; K133-S136 PolarHBondContact NZ-OG 2.88Å; K133-Y143 HydrophobicContact CB-CD1 3.9Å; K133-Y143 HydrophobicContact CB-CE1 3.76Å; K133-Y143 HydrophobicContact CD-CE1 4.25Å; K133-Y143 HydrophobicContact CG-CD1 4.2Å; K133-Y143 HydrophobicContact CG-CE1 3.86Å |
| 134 | V | 95.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -43.5 | -178 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | N132 L142 F144 | N132-V134 PolarHBondContact O-N 2.9Å; V134-L142 HydrophobicContact CB-CD2 4.48Å; V134-L142 HydrophobicContact CB-CG 4.47Å; V134-L142 PolarHBondContact N-O 3.45Å; V134-F144 HydrophobicContact CG2-CB 3.29Å; V134-F144 HydrophobicContact CG2-CG 4.36Å |
| 135 | D | 94.2 | Very high | 96.8 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 161.3 | -176.6 | -163.4 | -1.2 | 0 | 0 | 0 | 111 | R13 H14 L142 | R13-D135 IonicContact CZ-OD1 3.92Å; R13-D135 IonicContact CZ-OD2 3.82Å; R13-D135 IonicContact NE-OD2 2.96Å; R13-D135 IonicContact NH1-OD1 2.74Å; R13-D135 PolarHBondContact NH1-OD1 2.98Å; R13-D135 IonicContact NH1-OD2 3.23Å; R13-D135 PolarHBondContact NH1-OD2 2.99Å; R13-D135 IonicContact NH2-OD1 3.56Å; R13-D135 PolarHBondContact NH2-OD1 2.81Å; R13-D135 IonicContact NH2-OD2 2.99Å; R13-D135 PolarHBondContact NH2-OD2 2.81Å; H14-D135 IonicContact CD2-OD2 3.98Å; H14-D135 IonicContact CE1-OD2 2.98Å; H14-D135 IonicContact NE2-OD2 3.65Å; H14-D135 PolarHBondContact NE2-OD2 2.71Å; D135-L142 HydrophobicContact CB-CB 4.11Å; D135-L142 HydrophobicContact CB-CD2 4.29Å; D135-L142 PolarHBondContact N-O 2.96Å; D135-L142 PolarHBondContact O-N 3.49Å |
| 136 | S | 94.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 59 Ų | 59 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 110.6 | 175.6 | -157.5 | 0 | 0 | 0 | 0 | 109.3 | K133 C140 | K133-S136 VanDerWaalsContact NZ-CB 3.31Å; K133-S136 PolarHBondContact NZ-OG 2.88Å; S136-C140 WeakPolarHBondContact CA-O 3.27Å; S136-C140 PolarHBondContact OG-O 2.67Å |
| 137 | A | 92.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 163.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V10 R139 C140 | V10-A137 HydrophobicContact CG2-CB 4.24Å; A137-R139 PolarHBondContact O-N 2.99Å; A137-C140 PolarHBondContact N-O 3.2Å; A137-C140 WeakPolarHBondContact O-CA 3.26Å; A137-C140 WeakPolarHBondContact O-CB 3.14Å; A137-C140 PolarHBondContact O-N 2.85Å |
| 138 | R | 89.7 | Confident | 96.9 | Very high | 122 Ų | 122 | 57 Ų | 57 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 36.8 | -179.8 | -58.7 | -177 | 162.9 | 114.4 | -21.2 | 113.3 | P6 E9 C140 | P6-R138 HydrophobicContact CB-CB 4Å; E9-R138 PolarHBondContact O-NH1 2.97Å; E9-R138 VanDerWaalsContact O-NH1 3.15Å; E9-R138 IonicContact OE1-CZ 3.7Å; E9-R138 IonicContact OE1-NE 3.14Å; E9-R138 IonicContact OE1-NH2 3.33Å; E9-R138 PolarHBondContact OE1-NH2 3.12Å; E9-R138 WeakPolarHBondContact OE2-CD 3.49Å; E9-R138 IonicContact OE2-CZ 3.26Å; E9-R138 IonicContact OE2-NE 3.9Å; E9-R138 PolarHBondContact OE2-NE 2.73Å; E9-R138 IonicContact OE2-NH1 3.81Å; E9-R138 IonicContact OE2-NH2 3Å; E9-R138 PolarHBondContact OE2-NH2 3.17Å; R138-C140 PolarHBondContact O-N 2.85Å |
| 139 | R | 94.6 | Very high | 96.9 | Very high | 214 Ų | 214 | 60.2 Ų | 60.2 | 81% | 0.808 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 14.4 | -175.6 | -51 | 175.8 | -179.5 | 177.4 | -0.5 | 114.4 | N114 A137 | N114-R139 WeakPolarHBondContact CB-O 3.3Å; N114-R139 PolarHBondContact N-O 3.05Å; N114-R139 VanDerWaalsContact ND2-C 3.32Å; N114-R139 PolarHBondContact ND2-O 3.16Å; A137-R139 PolarHBondContact O-N 2.99Å |
| 140 | C | 96.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 158.1 | 172.1 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | V10 G112 S136 A137 R138 | V10-C140 HydrophobicContact CG2-CB 4.01Å; G112-C140 CarbonylContact O-C 3.57Å; G112-C140 WeakPolarHBondContact O-CA 3.32Å; G112-C140 VanDerWaalsContact O-CB 3.3Å; G112-C140 WeakPolarHBondContact O-CB 3.38Å; S136-C140 WeakPolarHBondContact CA-O 3.27Å; S136-C140 PolarHBondContact OG-O 2.67Å; A137-C140 PolarHBondContact N-O 3.2Å; A137-C140 WeakPolarHBondContact O-CA 3.26Å; A137-C140 WeakPolarHBondContact O-CB 3.14Å; A137-C140 PolarHBondContact O-N 2.85Å; R138-C140 PolarHBondContact O-N 2.85Å |
| 141 | G | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V111 G112 | V111-G141 WeakPolarHBondContact CA-O 3.42Å; G112-G141 PolarHBondContact N-O 3.38Å; G112-G141 VanDerWaalsContact N-O 3.16Å; G112-G141 PolarHBondContact O-N 2.75Å |
| 142 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.4 | 169.9 | -179.7 | 65 | 0 | 0 | 0 | 108.3 | V10 L11 F109 V111 V134 D135 | V10-L142 HydrophobicContact CG1-CB 3.85Å; V10-L142 HydrophobicContact CG1-CD2 4.22Å; L11-L142 HydrophobicContact CD2-CD1 3.79Å; F109-L142 HydrophobicContact CB-CD1 4.49Å; F109-L142 HydrophobicContact CD1-CD1 4.09Å; F109-L142 HydrophobicContact CD1-CG 4.48Å; V111-L142 HydrophobicContact CB-CD1 3.93Å; V111-L142 HydrophobicContact CG2-CD1 4.27Å; V134-L142 HydrophobicContact CB-CD2 4.48Å; V134-L142 HydrophobicContact CB-CG 4.47Å; V134-L142 PolarHBondContact N-O 3.45Å; D135-L142 HydrophobicContact CB-CB 4.11Å; D135-L142 HydrophobicContact CB-CD2 4.29Å; D135-L142 PolarHBondContact N-O 2.96Å; D135-L142 PolarHBondContact O-N 3.49Å |
| 143 | Y | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.3 | -179.7 | -59.8 | -97.2 | 0 | 0 | 0 | 109.4 | F109 V110 V118 R119 E122 N132 K133 | F109-Y143 CarbonylContact C-O 3.53Å; F109-Y143 VanDerWaalsContact CA-O 3.28Å; F109-Y143 WeakPolarHBondContact CA-O 3.5Å; V110-Y143 PolarHBondContact N-O 3.36Å; V110-Y143 PolarHBondContact O-N 3.03Å; V118-Y143 HydrophobicContact CG1-CE2 4.04Å; V118-Y143 HydrophobicContact CG2-CD2 4.15Å; V118-Y143 HydrophobicContact CG2-CE2 3.9Å; R119-Y143 WeakPolarHBondContact CG-OH 3.42Å; E122-Y143 HydrophobicContact CG-CD1 3.77Å; E122-Y143 HydrophobicContact CG-CE1 3.79Å; E122-Y143 WeakPolarHBondContact OE1-CE1 3.47Å; N132-Y143 CarbonylContact O-C 3.6Å; N132-Y143 VanDerWaalsContact O-CA 3.32Å; N132-Y143 WeakPolarHBondContact O-CA 3.17Å; K133-Y143 HydrophobicContact CB-CD1 3.9Å; K133-Y143 HydrophobicContact CB-CE1 3.76Å; K133-Y143 HydrophobicContact CD-CE1 4.25Å; K133-Y143 HydrophobicContact CG-CD1 4.2Å; K133-Y143 HydrophobicContact CG-CE1 3.86Å |
| 144 | F | 98.6 | Very high | 96.9 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.3 | 179.9 | 169.6 | -106.2 | 0 | 0 | 0 | 110.5 | D107 I108 F109 L131 N132 V134 | D107-F144 HydrophobicContact CB-CE2 3.93Å; I108-F144 CarbonylContact O-C 3.45Å; I108-F144 WeakPolarHBondContact O-CA 3.39Å; F109-F144 HydrophobicContact CD1-CB 4.18Å; F109-F144 HydrophobicContact CD1-CD2 4.08Å; F109-F144 HydrophobicContact CD2-CD2 4.06Å; F109-F144 HydrophobicContact CE1-CB 4Å; F109-F144 AromaticContact CE1-CD2 3.62Å; F109-F144 HydrophobicContact CE1-CD2 3.62Å; F109-F144 HydrophobicContact CE1-CE2 4.49Å; F109-F144 HydrophobicContact CE1-CG 4.11Å; F109-F144 AromaticContact CE2-CD2 3.57Å; F109-F144 HydrophobicContact CE2-CD2 3.57Å; F109-F144 AromaticContact CE2-CE2 3.82Å; F109-F144 HydrophobicContact CE2-CE2 3.82Å; F109-F144 HydrophobicContact CG-CD2 4.31Å; F109-F144 AromaticContact CZ-CD2 3.34Å; F109-F144 HydrophobicContact CZ-CD2 3.34Å; F109-F144 AromaticContact CZ-CE2 3.79Å; F109-F144 HydrophobicContact CZ-CE2 3.79Å; F109-F144 HydrophobicContact CZ-CG 4.2Å; L131-F144 CarbonylContact C-O 3.48Å; L131-F144 WeakPolarHBondContact CA-O 3.42Å; N132-F144 PolarHBondContact N-O 3.3Å; N132-F144 PolarHBondContact O-N 2.88Å; V134-F144 HydrophobicContact CG2-CB 3.29Å; V134-F144 HydrophobicContact CG2-CG 4.36Å |
| 145 | G | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | -177.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I108 P130 | I108-G145 PolarHBondContact N-O 2.87Å; I108-G145 PolarHBondContact O-N 3.21Å; P130-G145 WeakPolarHBondContact O-CA 3.23Å |
| 146 | R | 98.6 | Very high | 97.2 | Very high | 135 Ų | 135 | 65 Ų | 65 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.4 | 175.6 | -173.4 | 167.6 | -90.9 | -168.9 | -10.2 | 109 | G105 T106 D107 A129 E148 | G105-R146 WeakPolarHBondContact O-CD 3.41Å; G105-R146 VanDerWaalsContact O-CG 3.29Å; G105-R146 WeakPolarHBondContact O-CG 3.47Å; G105-R146 PolarHBondContact O-NE 3.05Å; G105-R146 VanDerWaalsContact O-NE 3.12Å; T106-R146 WeakPolarHBondContact O-CA 3.47Å; D107-R146 IonicContact OD1-CZ 2.77Å; D107-R146 VanDerWaalsContact OD1-CZ 3.23Å; D107-R146 IonicContact OD1-NE 3.79Å; D107-R146 PolarHBondContact OD1-NE 2.95Å; D107-R146 IonicContact OD1-NH2 3.22Å; D107-R146 PolarHBondContact OD1-NH2 3.46Å; D107-R146 IonicContact OD2-CZ 2.7Å; D107-R146 IonicContact OD2-NH2 3.94Å; D107-R146 PolarHBondContact OD2-NH2 3.05Å; A129-R146 WeakPolarHBondContact CA-O 3.24Å; R146-E148 PolarHBondContact O-N 3.23Å; R146-E148 VanDerWaalsContact O-N 3.14Å |
| 147 | L | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | trans | -68.7 | 109.3 | -178.8 | -175.4 | 58.7 | 0 | 0 | 0 | 109.9 | L99 L102 V104 G105 T106 I108 A129 K149 Q150 | L99-L147 HydrophobicContact CB-CD1 4.2Å; L99-L147 HydrophobicContact CB-CD2 4.44Å; L99-L147 HydrophobicContact CD2-CD1 4.08Å; L99-L147 HydrophobicContact CD2-CD2 4.15Å; L99-L147 HydrophobicContact CG-CD1 4.5Å; L102-L147 HydrophobicContact CB-CD2 4.01Å; L102-L147 WeakPolarHBondContact O-CD2 3.46Å; V104-L147 CarbonylContact C-O 3.56Å; V104-L147 WeakPolarHBondContact CG1-O 3.21Å; G105-L147 PolarHBondContact N-O 3.36Å; T106-L147 PolarHBondContact O-N 2.81Å; I108-L147 HydrophobicContact CD1-CB 4.24Å; I108-L147 HydrophobicContact CG1-CB 4.14Å; A129-L147 HydrophobicContact CB-CD1 4.19Å; L147-K149 VanDerWaalsContact CD1-O 3.32Å; L147-K149 WeakPolarHBondContact CD1-O 3.1Å; L147-Q150 HydrophobicContact CD2-CG 4.4Å | ||
| 148 | E | 98.7 | Very high | 97.5 | Very high | 134 Ų | 134 | 71 Ų | 71 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | trans | -90.4 | -32.1 | 178.8 | -60.7 | -173.8 | 174.7 | 0 | 0 | 111.7 | V104 Y128 R146 | V104-E148 WeakPolarHBondContact CG1-O 3.32Å; Y128-E148 PolarHBondContact O-N 3.09Å; R146-E148 PolarHBondContact O-N 3.23Å; R146-E148 VanDerWaalsContact O-N 3.14Å | ||
| 149 | K | 98.5 | Very high | 97.9 | Very high | 129 Ų | 129 | 69 Ų | 69 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -148.9 | 129.4 | -176.1 | -178.9 | -177.9 | 174.2 | -173.6 | 0 | 111 | Y128 L147 | Y128-K149 WeakPolarHBondContact CA-O 3.38Å; Y128-K149 WeakPolarHBondContact CB-O 3.3Å; Y128-K149 PolarHBondContact O-N 3.47Å; Y128-K149 VanDerWaalsContact O-N 3.12Å; L147-K149 VanDerWaalsContact CD1-O 3.32Å; L147-K149 WeakPolarHBondContact CD1-O 3.1Å |
| 150 | Q | 98.6 | Very high | 97.9 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 130.5 | 172.4 | -65.4 | 176.5 | -39 | 0 | 0 | 110.5 | L99 L102 V104 L147 | L99-Q150 WeakPolarHBondContact O-CG 3.47Å; L102-Q150 PolarHBondContact O-NE2 2.89Å; V104-Q150 HydrophobicContact CG2-CG 4.27Å; L147-Q150 HydrophobicContact CD2-CG 4.4Å |
| 151 | P | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 158.8 | 165.3 | 29.5 | -34.4 | 0 | 0 | 0 | 110.9 | M96 L99 S100 Y128 | M96-P151 HydrophobicContact CE-CG 4.36Å; M96-P151 HydrophobicContact SD-CB 3.65Å; M96-P151 HydrophobicContact SD-CG 3.97Å; L99-P151 HydrophobicContact CB-CG 3.86Å; S100-P151 WeakPolarHBondContact CA-O 3.43Å; S100-P151 WeakPolarHBondContact CB-O 3.34Å; Y128-P151 HydrophobicContact CD1-CB 3.92Å; Y128-P151 HydrophobicContact CD1-CG 4.47Å; Y128-P151 HydrophobicContact CE1-CB 3.63Å; Y128-P151 HydrophobicContact CE2-CB 4.27Å; Y128-P151 HydrophobicContact CG-CB 4.37Å |
| 152 | V | 97.9 | Very high | 97.7 | Very high | 141 Ų | 141 | 68.6 Ų | 68.6 | 86% | 0.855 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 120.6 | 166 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | ||
| 153 | F | 98.4 | Very high | 97.4 | Very high | 37 Ų | 37 | 72.5 Ų | 72.5 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | trans | -108.3 | 135.9 | 177.7 | 179.4 | -107 | 0 | 0 | 0 | 111.3 | V68 F93 M96 N97 S100 A155 F158 | V68-F153 HydrophobicContact CG1-CE1 3.9Å; V68-F153 HydrophobicContact CG2-CE1 4.48Å; F93-F153 HydrophobicContact CD2-CE2 4.31Å; F93-F153 HydrophobicContact CD2-CZ 4.34Å; F93-F153 HydrophobicContact CE1-CZ 4.11Å; F93-F153 HydrophobicContact CE2-CE2 4.3Å; F93-F153 AromaticContact CE2-CZ 3.92Å; F93-F153 HydrophobicContact CE2-CZ 3.92Å; F93-F153 AromaticContact CZ-CZ 3.8Å; F93-F153 HydrophobicContact CZ-CZ 3.8Å; M96-F153 HydrophobicContact CB-CD2 3.75Å; M96-F153 HydrophobicContact CB-CE2 4.46Å; N97-F153 HydrophobicContact CB-CD1 3.96Å; N97-F153 HydrophobicContact CB-CD2 4.08Å; N97-F153 HydrophobicContact CB-CE1 3.74Å; N97-F153 HydrophobicContact CB-CE2 3.85Å; N97-F153 HydrophobicContact CB-CG 4.12Å; N97-F153 HydrophobicContact CB-CZ 3.68Å; S100-F153 WeakPolarHBondContact OG-CB 3.37Å; F153-A155 HydrophobicContact CE1-CB 3.87Å; F153-A155 HydrophobicContact CZ-CB 3.83Å; F153-F158 AromaticContact CD2-CE2 3.93Å; F153-F158 HydrophobicContact CD2-CE2 3.93Å; F153-F158 HydrophobicContact CE2-CD2 4.03Å; F153-F158 AromaticContact CE2-CE2 3.66Å; F153-F158 HydrophobicContact CE2-CE2 3.66Å; F153-F158 HydrophobicContact CE2-CZ 4.35Å | ||
| 154 | D | 98.1 | Very high | 97 | Very high | 59 Ų | 59 | 73.6 Ų | 73.6 | 32% | 0.316 | 37% | 0.366 | S | S | . | . | trans | -143.7 | 106.9 | 174.8 | 174.9 | 2.6 | 0 | 0 | 0 | 107.2 | D156 K157 F158 | D154-D156 PolarHBondContact O-N 3.41Å; D154-D156 WeakPolarHBondContact OD1-CB 3.3Å; D154-D156 PolarHBondContact OD1-N 3.22Å; D154-D156 VanDerWaalsContact OD1-N 3.08Å; D154-K157 HydrophobicContact CB-CD 4.1Å; D154-K157 HydrophobicContact CB-CG 4.32Å; D154-K157 PolarHBondContact O-N 3.31Å; D154-K157 WeakPolarHBondContact OD2-CE 3.43Å; D154-K157 IonicContact OD2-NZ 2.62Å; D154-F158 WeakPolarHBondContact O-CD2 3.37Å | ||
| 155 | A | 97.6 | Very high | 96.4 | Very high | 20 Ų | 20 | 75.7 Ų | 75.7 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -61.7 | -28.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V68 F93 F153 K157 F158 | V68-A155 HydrophobicContact CG2-CB 3.89Å; F93-A155 HydrophobicContact CE2-CB 4.35Å; F93-A155 HydrophobicContact CZ-CB 4.35Å; F153-A155 HydrophobicContact CE1-CB 3.87Å; F153-A155 HydrophobicContact CZ-CB 3.83Å; A155-K157 PolarHBondContact O-N 3.33Å; A155-F158 PolarHBondContact O-N 3.35Å; A155-F158 VanDerWaalsContact O-N 3.12Å |
| 156 | D | 97.7 | Very high | 96.1 | Very high | 122 Ų | 122 | 78.7 Ų | 78.7 | 65% | 0.652 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -65.8 | -29.4 | -176.3 | -72.2 | -22.1 | 0 | 0 | 0 | 111.9 | D154 F158 W159 | D154-D156 PolarHBondContact O-N 3.41Å; D154-D156 WeakPolarHBondContact OD1-CB 3.3Å; D154-D156 PolarHBondContact OD1-N 3.22Å; D154-D156 VanDerWaalsContact OD1-N 3.08Å; D156-F158 PolarHBondContact O-N 3.03Å; D156-W159 PolarHBondContact O-N 2.98Å |
| 157 | K | 97.6 | Very high | 95.9 | Very high | 159 Ų | 159 | 72.8 Ų | 72.8 | 69% | 0.691 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -71.8 | -12.6 | 177.7 | -68.6 | 178 | -176.1 | 161.5 | 0 | 114.4 | D154 A155 | D154-K157 HydrophobicContact CB-CD 4.1Å; D154-K157 HydrophobicContact CB-CG 4.32Å; D154-K157 PolarHBondContact O-N 3.31Å; D154-K157 WeakPolarHBondContact OD2-CE 3.43Å; D154-K157 IonicContact OD2-NZ 2.62Å; A155-K157 PolarHBondContact O-N 3.33Å |
| 158 | F | 97 | Very high | 95.7 | Very high | 49 Ų | 49 | 74.7 Ų | 74.7 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -94.8 | -5.4 | -180 | -72.8 | -94 | 0 | 0 | 0 | 113.3 | Q92 F93 F153 D154 A155 D156 G160 P173 | Q92-F158 HydrophobicContact CG-CE1 4.24Å; F93-F158 HydrophobicContact CB-CD1 4.27Å; F93-F158 HydrophobicContact CB-CE1 4.37Å; F93-F158 HydrophobicContact CD2-CB 3.6Å; F93-F158 AromaticContact CD2-CD1 3.87Å; F93-F158 HydrophobicContact CD2-CD1 3.87Å; F93-F158 HydrophobicContact CD2-CD2 4.01Å; F93-F158 AromaticContact CD2-CG 3.56Å; F93-F158 HydrophobicContact CD2-CG 3.56Å; F93-F158 HydrophobicContact CE2-CB 3.88Å; F93-F158 HydrophobicContact CE2-CD2 4.36Å; F93-F158 HydrophobicContact CE2-CG 4.15Å; F153-F158 AromaticContact CD2-CE2 3.93Å; F153-F158 HydrophobicContact CD2-CE2 3.93Å; F153-F158 HydrophobicContact CE2-CD2 4.03Å; F153-F158 AromaticContact CE2-CE2 3.66Å; F153-F158 HydrophobicContact CE2-CE2 3.66Å; F153-F158 HydrophobicContact CE2-CZ 4.35Å; D154-F158 WeakPolarHBondContact O-CD2 3.37Å; A155-F158 PolarHBondContact O-N 3.35Å; A155-F158 VanDerWaalsContact O-N 3.12Å; D156-F158 PolarHBondContact O-N 3.03Å; F158-G160 PolarHBondContact O-N 3.17Å; F158-P173 HydrophobicContact CB-CG 4.06Å; F158-P173 HydrophobicContact CD1-CG 3.96Å; F158-P173 HydrophobicContact CG-CG 4.46Å; F158-P173 WeakPolarHBondContact O-CD 3.43Å |
| 159 | W | 97 | Very high | 95.6 | Very high | 82 Ų | 82 | 68.3 Ų | 68.3 | 31% | 0.311 | 37% | 0.371 | S | S | . | . | trans | -66.2 | 129.3 | 173.5 | -77.4 | 88.3 | 0 | 0 | 0 | 111 | D156 K170 L172 E234 A238 | D156-W159 PolarHBondContact O-N 2.98Å; W159-K170 HydrophobicContact CE3-CB 4.04Å; W159-K170 HydrophobicContact CZ3-CB 3.89Å; W159-L172 HydrophobicContact CD2-CD1 4.47Å; W159-L172 HydrophobicContact CD2-CD2 3.79Å; W159-L172 HydrophobicContact CD2-CG 3.97Å; W159-L172 HydrophobicContact CE3-CD2 4.3Å; W159-L172 HydrophobicContact CE3-CG 4Å; W159-L172 HydrophobicContact CG-CD2 3.95Å; W159-L172 HydrophobicContact CH2-CD1 3.81Å; W159-L172 HydrophobicContact CH2-CG 4.16Å; W159-L172 HydrophobicContact CZ2-CD1 3.71Å; W159-L172 HydrophobicContact CZ2-CD2 4.36Å; W159-L172 HydrophobicContact CZ2-CG 4.13Å; W159-L172 HydrophobicContact CZ3-CD1 4.22Å; W159-L172 HydrophobicContact CZ3-CG 4.09Å; W159-E234 HydrophobicContact CH2-CB 4.26Å; W159-A238 HydrophobicContact CH2-CB 3.6Å; W159-A238 HydrophobicContact CZ3-CB 3.54Å | ||
| 160 | G | 94.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 147.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F158 K170 T171 | F158-G160 PolarHBondContact O-N 3.17Å; G160-K170 WeakPolarHBondContact O-CA 3.14Å; G160-T171 PolarHBondContact N-O 2.98Å; G160-T171 PolarHBondContact O-N 2.89Å |
| 161 | E | 95.2 | Very high | 95.4 | Very high | 126 Ų | 126 | 62 Ų | 62 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.2 | 170.6 | -172.8 | 175.6 | 120.6 | 0 | 0 | 109.4 | T168 V169 K170 | E161-T168 HydrophobicContact CG-CG2 3.91Å; E161-V169 VanDerWaalsContact CA-O 3.31Å; E161-V169 WeakPolarHBondContact CA-O 3.42Å; E161-K170 HydrophobicContact CG-CG 4.3Å; E161-K170 WeakPolarHBondContact OE2-CE 3.42Å; E161-K170 IonicContact OE2-NZ 3.96Å |
| 162 | Y | 93.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 19% | 0.192 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 163.6 | 172.5 | 67.4 | -94.7 | 0 | 0 | 0 | 110.3 | V164 V169 T171 S177 R178 G180 | Y162-V164 HydrophobicContact CD2-CB 4.37Å; Y162-V164 HydrophobicContact CE2-CB 4.06Å; Y162-V164 HydrophobicContact CE2-CG1 3.86Å; Y162-V169 HydrophobicContact CD1-CB 4.3Å; Y162-V169 HydrophobicContact CD1-CG1 4.5Å; Y162-V169 HydrophobicContact CD2-CB 4.2Å; Y162-V169 HydrophobicContact CE1-CB 3.87Å; Y162-V169 HydrophobicContact CE1-CG1 3.7Å; Y162-V169 HydrophobicContact CE2-CB 3.72Å; Y162-V169 HydrophobicContact CE2-CG1 4.22Å; Y162-V169 HydrophobicContact CE2-CG2 3.82Å; Y162-V169 HydrophobicContact CG-CB 4.46Å; Y162-V169 PolarHBondContact N-O 2.96Å; Y162-V169 PolarHBondContact O-N 2.99Å; Y162-T171 HydrophobicContact CE1-CG2 4.45Å; Y162-S177 PolarHBondContact OH-O 3.4Å; Y162-R178 WeakPolarHBondContact CD1-O 3.38Å; Y162-R178 WeakPolarHBondContact CE1-O 3.29Å; Y162-G180 WeakPolarHBondContact OH-CA 3.4Å; Y162-G180 PolarHBondContact OH-N 3.28Å; Y162-G180 VanDerWaalsContact OH-N 3.17Å |
| 163 | S | 93 | Very high | 95.2 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 58% | 0.58 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.3 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | L167 | S163-L167 CarbonylContact C-O 3.5Å; S163-L167 WeakPolarHBondContact CA-O 3.41Å; S163-L167 PolarHBondContact OG-O 2.88Å |
| 164 | V | 89.2 | Confident | 94.9 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 126.6 | 173.3 | 62.8 | 0 | 0 | 0 | 0 | 109 | Y162 G166 L167 V169 L181 V209 | Y162-V164 HydrophobicContact CD2-CB 4.37Å; Y162-V164 HydrophobicContact CE2-CB 4.06Å; Y162-V164 HydrophobicContact CE2-CG1 3.86Å; V164-G166 PolarHBondContact O-N 3.25Å; V164-L167 PolarHBondContact N-O 2.98Å; V164-L167 VanDerWaalsContact O-CB 3.32Å; V164-L167 WeakPolarHBondContact O-CB 3.14Å; V164-L167 PolarHBondContact O-N 2.92Å; V164-V169 HydrophobicContact CG1-CG2 3.87Å; V164-L181 HydrophobicContact CG2-CB 4.16Å; V164-V209 HydrophobicContact CG1-CG1 4.18Å |
| 165 | D | 87.1 | Confident | 94.7 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 32.9 | -177.8 | -65.2 | -20.7 | 0 | 0 | 0 | 114.7 | L167 R216 | D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.06Å; D165-R216 PolarHBondContact O-NH1 3.2Å |
| 166 | G | 92.1 | Very high | 93.9 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 10.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V164 | V164-G166 PolarHBondContact O-N 3.25Š|
| 167 | L | 93.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 141.8 | 168.5 | -58.3 | 164.4 | 0 | 0 | 0 | 108.9 | S163 V164 D165 V212 A213 N243 | S163-L167 CarbonylContact C-O 3.5Å; S163-L167 WeakPolarHBondContact CA-O 3.41Å; S163-L167 PolarHBondContact OG-O 2.88Å; V164-L167 PolarHBondContact N-O 2.98Å; V164-L167 VanDerWaalsContact O-CB 3.32Å; V164-L167 WeakPolarHBondContact O-CB 3.14Å; V164-L167 PolarHBondContact O-N 2.92Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.06Å; L167-V212 HydrophobicContact CD1-CG2 4.22Å; L167-V212 HydrophobicContact CD2-CG2 4.26Å; L167-A213 HydrophobicContact CD1-CB 3.67Å; L167-N243 WeakPolarHBondContact CA-OD1 3.39Å |
| 168 | T | 96 | Very high | 90.8 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.5 | 171.7 | -60.2 | 0 | 0 | 0 | 0 | 109 | E161 A242 N243 | E161-T168 HydrophobicContact CG-CG2 3.91Å; T168-A242 HydrophobicContact CG2-CB 3.94Å; T168-N243 PolarHBondContact N-OD1 3.01Å; T168-N243 PolarHBondContact O-ND2 2.97Å |
| 169 | V | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.4 | 179.3 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | E161 Y162 V164 A207 V209 | E161-V169 VanDerWaalsContact CA-O 3.31Å; E161-V169 WeakPolarHBondContact CA-O 3.42Å; Y162-V169 HydrophobicContact CD1-CB 4.3Å; Y162-V169 HydrophobicContact CD1-CG1 4.5Å; Y162-V169 HydrophobicContact CD2-CB 4.2Å; Y162-V169 HydrophobicContact CE1-CB 3.87Å; Y162-V169 HydrophobicContact CE1-CG1 3.7Å; Y162-V169 HydrophobicContact CE2-CB 3.72Å; Y162-V169 HydrophobicContact CE2-CG1 4.22Å; Y162-V169 HydrophobicContact CE2-CG2 3.82Å; Y162-V169 HydrophobicContact CG-CB 4.46Å; Y162-V169 PolarHBondContact N-O 2.96Å; Y162-V169 PolarHBondContact O-N 2.99Å; V164-V169 HydrophobicContact CG1-CG2 3.87Å; V169-A207 HydrophobicContact CG1-CB 3.94Å; V169-V209 HydrophobicContact CB-CG2 4.47Å; V169-V209 HydrophobicContact CG1-CG2 3.75Å; V169-V209 HydrophobicContact CG2-CG1 4.09Å; V169-V209 HydrophobicContact CG2-CG2 3.82Å |
| 170 | K | 96.3 | Very high | 88.1 | Confident | 71 Ų | 71 | 52 Ų | 52 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.7 | 170.6 | -69.7 | -172.1 | 167.3 | -172.3 | 0 | 109.2 | W159 G160 E161 A235 A238 T239 | W159-K170 HydrophobicContact CE3-CB 4.04Å; W159-K170 HydrophobicContact CZ3-CB 3.89Å; G160-K170 WeakPolarHBondContact O-CA 3.14Å; E161-K170 HydrophobicContact CG-CG 4.3Å; E161-K170 WeakPolarHBondContact OE2-CE 3.42Å; E161-K170 IonicContact OE2-NZ 3.96Å; K170-A235 WeakPolarHBondContact O-CB 3.49Å; K170-A238 HydrophobicContact CB-CB 3.81Å; K170-A238 HydrophobicContact CD-CB 3.81Å; K170-A238 HydrophobicContact CG-CB 4.41Å; K170-T239 PolarHBondContact N-OG1 2.97Å; K170-T239 PolarHBondContact O-OG1 3.4Å; K170-T239 VanDerWaalsContact O-OG1 3.07Å |
| 171 | T | 96.3 | Very high | 87.3 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 160.8 | -175.7 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | G160 Y162 R178 | G160-T171 PolarHBondContact N-O 2.98Å; G160-T171 PolarHBondContact O-N 2.89Å; Y162-T171 HydrophobicContact CE1-CG2 4.45Å; T171-R178 HydrophobicContact CG2-CG 4.11Å |
| 172 | L | 96.6 | Very high | 86.9 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -124.1 | 164.1 | 175.1 | -77.9 | 163.3 | 0 | 0 | 0 | 110.8 | L67 F93 W159 G174 V175 P231 E234 | L67-L172 HydrophobicContact CD1-CD1 4.05Å; L67-L172 HydrophobicContact CD2-CD1 3.61Å; F93-L172 HydrophobicContact CE2-CD2 4.42Å; W159-L172 HydrophobicContact CD2-CD1 4.47Å; W159-L172 HydrophobicContact CD2-CD2 3.79Å; W159-L172 HydrophobicContact CD2-CG 3.97Å; W159-L172 HydrophobicContact CE3-CD2 4.3Å; W159-L172 HydrophobicContact CE3-CG 4Å; W159-L172 HydrophobicContact CG-CD2 3.95Å; W159-L172 HydrophobicContact CH2-CD1 3.81Å; W159-L172 HydrophobicContact CH2-CG 4.16Å; W159-L172 HydrophobicContact CZ2-CD1 3.71Å; W159-L172 HydrophobicContact CZ2-CD2 4.36Å; W159-L172 HydrophobicContact CZ2-CG 4.13Å; W159-L172 HydrophobicContact CZ3-CD1 4.22Å; W159-L172 HydrophobicContact CZ3-CG 4.09Å; L172-G174 PolarHBondContact O-N 3.44Å; L172-V175 HydrophobicContact CB-CG2 4.23Å; L172-V175 WeakPolarHBondContact O-CG2 3.15Å; L172-V175 PolarHBondContact O-N 3.47Å; L172-P231 HydrophobicContact CB-CB 4.05Å; L172-E234 HydrophobicContact CD1-CB 4.05Å | ||
| 173 | P | 96 | Very high | 86.8 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 7% | 0.065 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 133.1 | 169.2 | -22.8 | 34.9 | 0 | 0 | 0 | 111.1 | P89 F93 F158 | P89-P173 HydrophobicContact CB-CB 4.17Å; P89-P173 WeakPolarHBondContact O-CB 3.38Å; F93-P173 HydrophobicContact CB-CB 3.98Å; F93-P173 HydrophobicContact CB-CG 4.06Å; F93-P173 HydrophobicContact CD2-CG 4.03Å; F93-P173 HydrophobicContact CG-CG 4.38Å; F158-P173 HydrophobicContact CB-CG 4.06Å; F158-P173 HydrophobicContact CD1-CG 3.96Å; F158-P173 HydrophobicContact CG-CG 4.46Å; F158-P173 WeakPolarHBondContact O-CD 3.43Å |
| 174 | G | 92.3 | Very high | 86.7 | Confident | 21 Ų | 21 | 48 Ų | 48 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | -16 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N87 L172 | N87-G174 WeakPolarHBondContact ND2-CA 3.41Å; N87-G174 PolarHBondContact ND2-N 3.18Å; L172-G174 PolarHBondContact O-N 3.44Å |
| 175 | V | 93.6 | Very high | 86.8 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -82.7 | 141.5 | 178.6 | -166 | 0 | 0 | 0 | 0 | 110.7 | L172 R178 G206 A207 P231 A232 A235 | L172-V175 HydrophobicContact CB-CG2 4.23Å; L172-V175 WeakPolarHBondContact O-CG2 3.15Å; L172-V175 PolarHBondContact O-N 3.47Å; V175-R178 WeakPolarHBondContact O-CG 3.41Å; V175-G206 VanDerWaalsContact CG1-C 3.44Å; V175-A207 HydrophobicContact CG1-CB 3.99Å; V175-P231 HydrophobicContact CG2-CB 3.5Å; V175-P231 VanDerWaalsContact CG2-CB 3.5Å; V175-P231 WeakPolarHBondContact CG2-O 3.49Å; V175-A232 HydrophobicContact CG1-CB 4.18Å; V175-A232 HydrophobicContact CG2-CB 4.45Å; V175-A235 HydrophobicContact CG1-CB 4.41Å; V175-A235 HydrophobicContact CG2-CB 4.12Å | ||
| 176 | F | 81.7 | Confident | 87 | Confident | 136 Ų | 136 | 46.6 Ų | 46.6 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -66.4 | 161.3 | 168.7 | -175.5 | -102.4 | 0 | 0 | 0 | 110.4 | D182 | F176-D182 HydrophobicContact CE1-CB 4.19Å; F176-D182 HydrophobicContact CZ-CB 4.33Å |
| 177 | S | 65.4 | Low | 87.2 | Confident | 23 Ų | 23 | 49 Ų | 49 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | trans | 63.2 | 37.1 | 177.9 | 71 | 0 | 0 | 0 | 0 | 116 | Y162 D179 G180 | Y162-S177 PolarHBondContact OH-O 3.4Å; S177-D179 PolarHBondContact O-N 3.1Å; S177-D179 VanDerWaalsContact O-N 3.13Å; S177-G180 WeakPolarHBondContact CB-O 3.33Å | ||
| 178 | R | 64.2 | Low | 87.2 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 33% | 0.328 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.9 | 176 | -76.3 | -169.6 | -74.4 | 162.4 | -6.6 | 114.9 | N87 P89 Y162 T171 V175 | N87-R178 PolarHBondContact OD1-NH2 2.79Å; P89-R178 VanDerWaalsContact CB-NH1 3.28Å; P89-R178 VanDerWaalsContact CG-NH1 3.34Å; Y162-R178 WeakPolarHBondContact CD1-O 3.38Å; Y162-R178 WeakPolarHBondContact CE1-O 3.29Å; T171-R178 HydrophobicContact CG2-CG 4.11Å; V175-R178 WeakPolarHBondContact O-CG 3.41Å |
| 179 | D | 68.9 | Low | 87.1 | Confident | 165 Ų | 165 | 50.3 Ų | 50.3 | 88% | 0.882 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 14.3 | -171.5 | -54 | -42.9 | 0 | 0 | 0 | 113.8 | S177 | S177-D179 PolarHBondContact O-N 3.1Å; S177-D179 VanDerWaalsContact O-N 3.13Å |
| 180 | G | 68.5 | Low | 87.1 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 132.8 | -179.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y162 S177 D182 | Y162-G180 WeakPolarHBondContact OH-CA 3.4Å; Y162-G180 PolarHBondContact OH-N 3.28Å; Y162-G180 VanDerWaalsContact OH-N 3.17Å; S177-G180 WeakPolarHBondContact CB-O 3.33Å; G180-D182 PolarHBondContact O-N 3.12Å |
| 181 | L | 78.1 | Confident | 87 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | trans | -68.7 | 111.8 | 174 | -169.6 | 79.3 | 0 | 0 | 0 | 109.6 | V164 Q186 L189 V209 | V164-L181 HydrophobicContact CG2-CB 4.16Å; L181-Q186 HydrophobicContact CB-CG 4.49Å; L181-Q186 HydrophobicContact CD2-CB 4.38Å; L181-Q186 HydrophobicContact CD2-CG 3.37Å; L181-Q186 HydrophobicContact CG-CG 3.85Å; L181-Q186 PolarHBondContact O-NE2 3.28Å; L181-L189 HydrophobicContact CD1-CD1 3.81Å; L181-L189 HydrophobicContact CD2-CD1 3.67Å; L181-L189 HydrophobicContact CG-CD1 4.32Å; L181-V209 HydrophobicContact CB-CG1 4.39Å; L181-V209 HydrophobicContact CD1-CB 4.22Å; L181-V209 HydrophobicContact CD1-CG1 3.54Å | ||
| 182 | D | 86.8 | Confident | 86.9 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | trans | -67.4 | 160.9 | -179.7 | 73.2 | 93.8 | 0 | 0 | 0 | 112.1 | F176 G180 G184 S185 Q186 N268 | F176-D182 HydrophobicContact CE1-CB 4.19Å; F176-D182 HydrophobicContact CZ-CB 4.33Å; G180-D182 PolarHBondContact O-N 3.12Å; D182-G184 PolarHBondContact O-N 3.08Å; D182-G184 VanDerWaalsContact OD1-CA 3.23Å; D182-G184 WeakPolarHBondContact OD1-CA 3.29Å; D182-G184 PolarHBondContact OD1-N 3.28Å; D182-S185 PolarHBondContact O-N 2.92Å; D182-S185 VanDerWaalsContact O-N 3.15Å; D182-S185 PolarHBondContact OD1-N 3.4Å; D182-S185 VanDerWaalsContact OD2-CB 3.22Å; D182-S185 WeakPolarHBondContact OD2-CB 3.49Å; D182-S185 PolarHBondContact OD2-OG 2.99Å; D182-Q186 WeakPolarHBondContact O-CG 3.41Å; D182-Q186 PolarHBondContact O-N 2.86Å; D182-N268 PolarHBondContact OD1-ND2 3.02Å; D182-N268 PolarHBondContact OD2-ND2 2.65Å | ||
| 183 | V | 90.7 | Very high | 86.7 | Confident | 117 Ų | 117 | 61.1 Ų | 61.1 | 71% | 0.709 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.9 | -33.8 | -176.9 | 179 | 0 | 0 | 0 | 0 | 112.1 | Q186 L187 | V183-Q186 PolarHBondContact O-N 2.86Å; V183-L187 PolarHBondContact O-N 2.96Å |
| 184 | G | 92.1 | Very high | 86.6 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D182 Q186 L187 L188 | D182-G184 PolarHBondContact O-N 3.08Å; D182-G184 VanDerWaalsContact OD1-CA 3.23Å; D182-G184 WeakPolarHBondContact OD1-CA 3.29Å; D182-G184 PolarHBondContact OD1-N 3.28Å; G184-Q186 VanDerWaalsContact C-N 3.33Å; G184-Q186 PolarHBondContact O-N 2.82Å; G184-L187 PolarHBondContact O-N 2.62Å; G184-L188 PolarHBondContact O-N 3.28Å |
| 185 | S | 91.3 | Very high | 86.7 | Confident | 10 Ų | 10 | 70.8 Ų | 70.8 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.3 | -40 | 174.9 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | D182 L188 L189 N268 | D182-S185 PolarHBondContact O-N 2.92Å; D182-S185 VanDerWaalsContact O-N 3.15Å; D182-S185 PolarHBondContact OD1-N 3.4Å; D182-S185 VanDerWaalsContact OD2-CB 3.22Å; D182-S185 WeakPolarHBondContact OD2-CB 3.49Å; D182-S185 PolarHBondContact OD2-OG 2.99Å; S185-L188 PolarHBondContact O-N 3.04Å; S185-L189 WeakPolarHBondContact O-CB 3.34Å; S185-L189 VanDerWaalsContact O-CG 3.28Å; S185-L189 WeakPolarHBondContact O-CG 3.25Å; S185-L189 PolarHBondContact O-N 3.04Å; S185-N268 PolarHBondContact N-ND2 3.04Å; S185-N268 PolarHBondContact OG-ND2 3.18Å |
| 186 | Q | 91.2 | Very high | 86.8 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.7 | -72.8 | 176.5 | 22.4 | 0 | 0 | 112.1 | L181 D182 V183 G184 L189 S190 | L181-Q186 HydrophobicContact CB-CG 4.49Å; L181-Q186 HydrophobicContact CD2-CB 4.38Å; L181-Q186 HydrophobicContact CD2-CG 3.37Å; L181-Q186 HydrophobicContact CG-CG 3.85Å; L181-Q186 PolarHBondContact O-NE2 3.28Å; D182-Q186 WeakPolarHBondContact O-CG 3.41Å; D182-Q186 PolarHBondContact O-N 2.86Å; V183-Q186 PolarHBondContact O-N 2.86Å; G184-Q186 VanDerWaalsContact C-N 3.33Å; G184-Q186 PolarHBondContact O-N 2.82Å; Q186-L189 PolarHBondContact O-N 3.39Å; Q186-S190 PolarHBondContact O-N 3.29Å |
| 187 | L | 95.2 | Very high | 87.5 | Confident | 120 Ų | 120 | 72 Ų | 72 | 63% | 0.628 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 177.7 | -179.8 | 62.1 | 0 | 0 | 0 | 110.8 | V183 G184 S190 | V183-L187 PolarHBondContact O-N 2.96Å; G184-L187 PolarHBondContact O-N 2.62Å; L187-S190 WeakPolarHBondContact O-CB 3.3Å; L187-S190 PolarHBondContact O-N 3.24Å; L187-S190 PolarHBondContact O-OG 3.21Å |
| 188 | L | 95.4 | Very high | 89 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 177.2 | -179.3 | 58.4 | 0 | 0 | 0 | 111.4 | G184 S185 S190 T191 L210 I266 | G184-L188 PolarHBondContact O-N 3.28Å; S185-L188 PolarHBondContact O-N 3.04Å; L188-S190 PolarHBondContact O-N 3.11Å; L188-T191 PolarHBondContact O-N 3.13Å; L188-T191 PolarHBondContact O-OG1 3.05Å; L188-L210 HydrophobicContact CD2-CD1 3.98Å; L188-L210 HydrophobicContact CD2-CD2 3.6Å; L188-L210 HydrophobicContact CD2-CG 4.43Å; L188-L210 HydrophobicContact CG-CD1 4.32Å; L188-I266 HydrophobicContact CD2-CB 4.36Å |
| 189 | L | 93.2 | Very high | 90.7 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.178 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.3 | -35.1 | 178 | -75.7 | 166.8 | 0 | 0 | 0 | 112.9 | L181 S185 Q186 T191 L192 L210 A213 F214 | L181-L189 HydrophobicContact CD1-CD1 3.81Å; L181-L189 HydrophobicContact CD2-CD1 3.67Å; L181-L189 HydrophobicContact CG-CD1 4.32Å; S185-L189 WeakPolarHBondContact O-CB 3.34Å; S185-L189 VanDerWaalsContact O-CG 3.28Å; S185-L189 WeakPolarHBondContact O-CG 3.25Å; S185-L189 PolarHBondContact O-N 3.04Å; Q186-L189 PolarHBondContact O-N 3.39Å; L189-T191 PolarHBondContact O-N 3.04Å; L189-L192 HydrophobicContact CD2-CD1 4.16Å; L189-L192 PolarHBondContact O-N 3.26Å; L189-L192 VanDerWaalsContact O-N 3.09Å; L189-L210 HydrophobicContact CD1-CD1 4.16Å; L189-L210 HydrophobicContact CD2-CD1 3.73Å; L189-L210 HydrophobicContact CG-CD1 3.58Å; L189-A213 HydrophobicContact CD1-CB 3.66Å; L189-A213 HydrophobicContact CD2-CB 3.89Å; L189-A213 HydrophobicContact CG-CB 4.46Å; L189-F214 HydrophobicContact CD2-CB 4.24Å |
| 190 | S | 94.3 | Very high | 92.1 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.3 | -21.1 | 178.7 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | Q186 L187 L188 | Q186-S190 PolarHBondContact O-N 3.29Å; L187-S190 WeakPolarHBondContact O-CB 3.3Å; L187-S190 PolarHBondContact O-N 3.24Å; L187-S190 PolarHBondContact O-OG 3.21Å; L188-S190 PolarHBondContact O-N 3.11Å |
| 191 | T | 95.7 | Very high | 93.5 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -87.6 | -15.1 | 178 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | L188 L189 T193 | L188-T191 PolarHBondContact O-N 3.13Å; L188-T191 PolarHBondContact O-OG1 3.05Å; L189-T191 PolarHBondContact O-N 3.04Å; T191-T193 PolarHBondContact O-N 3.35Å |
| 192 | L | 94.1 | Very high | 94.5 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -86.4 | 113.4 | -174.8 | -56.6 | -178.7 | 0 | 0 | 0 | 110.3 | L189 F214 M264 | L189-L192 HydrophobicContact CD2-CD1 4.16Å; L189-L192 PolarHBondContact O-N 3.26Å; L189-L192 VanDerWaalsContact O-N 3.09Å; L192-F214 HydrophobicContact CB-CD2 4.12Å; L192-F214 HydrophobicContact CB-CE2 3.79Å; L192-F214 HydrophobicContact CB-CZ 4.21Å; L192-F214 HydrophobicContact CD1-CB 4.26Å; L192-F214 HydrophobicContact CD1-CD1 3.66Å; L192-F214 HydrophobicContact CD1-CD2 3.75Å; L192-F214 HydrophobicContact CD1-CE1 3.78Å; L192-F214 HydrophobicContact CD1-CE2 3.89Å; L192-F214 HydrophobicContact CD1-CG 3.64Å; L192-F214 HydrophobicContact CD1-CZ 3.89Å; L192-F214 HydrophobicContact CD2-CE1 4.48Å; L192-F214 HydrophobicContact CD2-CZ 4.24Å; L192-F214 HydrophobicContact CG-CE2 4.32Å; L192-F214 HydrophobicContact CG-CZ 4.34Å; L192-M264 HydrophobicContact CD2-SD 4.01Å |
| 193 | T | 92.3 | Very high | 95 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 60% | 0.601 | 34% | 0.342 | S | S | * | . | trans | -68 | 138.9 | -179.1 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | T191 T196 S218 | T191-T193 PolarHBondContact O-N 3.35Å; T193-T196 PolarHBondContact O-OG1 3.46Å; T193-T196 PolarHBondContact OG1-OG1 2.92Å; T193-S218 PolarHBondContact O-OG 2.86Å | ||
| 194 | P | 93.6 | Very high | 95.3 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 153.1 | 171.7 | -26.2 | 34.8 | 0 | 0 | 0 | 112.9 | T196 H217 | P194-T196 PolarHBondContact O-N 2.76Å; P194-H217 HydrophobicContact CB-CB 4.48Å |
| 195 | H | 94.5 | Very high | 95.4 | Very high | 149 Ų | 149 | 56.7 Ų | 56.7 | 69% | 0.69 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 27 | -178.5 | -50.2 | -59.7 | 0 | 0 | 0 | 115.2 | H217 S218 | H195-H217 PolarHBondContact N-O 3.01Å; H195-S218 PolarHBondContact N-OG 3.11Å |
| 196 | T | 95.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | trans | -58.2 | 148.8 | 168.2 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | T193 P194 F214 S218 I221 M264 | T193-T196 PolarHBondContact O-OG1 3.46Å; T193-T196 PolarHBondContact OG1-OG1 2.92Å; P194-T196 PolarHBondContact O-N 2.76Å; T196-F214 HydrophobicContact CG2-CE2 4.32Å; T196-F214 HydrophobicContact CG2-CZ 3.83Å; T196-S218 WeakPolarHBondContact CB-OG 3.46Å; T196-S218 PolarHBondContact N-OG 3.45Å; T196-I221 HydrophobicContact CG2-CG2 4.2Å; T196-I221 WeakPolarHBondContact O-CG2 2.93Å; T196-M264 HydrophobicContact CG2-CE 4.39Å | ||
| 197 | K | 96.1 | Very high | 95.8 | Very high | 146 Ų | 146 | 51.9 Ų | 51.9 | 64% | 0.635 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 156.5 | -179.9 | -59.1 | 176.6 | -171.6 | 167.7 | 0 | 109.1 | K220 | K197-K220 HydrophobicContact CG-CB 4.13Å |
| 198 | G | 97.5 | Very high | 95.8 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.1 | -179.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I221 R222 D263 | G198-I221 CarbonylContact O-C 3.58Å; G198-I221 WeakPolarHBondContact O-CA 3.3Å; G198-R222 PolarHBondContact O-N 2.83Å; G198-D263 WeakPolarHBondContact CA-OD2 3.48Å |
| 199 | K | 98.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.4 | 170.8 | -61.1 | -177.4 | -179.9 | -175.9 | 0 | 108.5 | R222 R261 F262 D263 M264 | K199-R222 WeakPolarHBondContact CA-O 3.5Å; K199-R261 WeakPolarHBondContact CD-O 3.32Å; K199-F262 HydrophobicContact CB-CD1 3.87Å; K199-D263 PolarHBondContact N-OD2 3.4Å; K199-D263 PolarHBondContact O-N 3.34Å; K199-M264 PolarHBondContact O-N 3.03Å |
| 200 | V | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.1 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | F214 I221 R222 L223 T224 M264 I266 | V200-F214 HydrophobicContact CG1-CD1 4.24Å; V200-F214 HydrophobicContact CG1-CE1 3.98Å; V200-F214 HydrophobicContact CG2-CE1 3.97Å; V200-I221 HydrophobicContact CG2-CB 3.89Å; V200-I221 HydrophobicContact CG2-CG2 3.93Å; V200-R222 PolarHBondContact N-O 3.46Å; V200-L223 HydrophobicContact CB-CD2 3.97Å; V200-L223 HydrophobicContact CG1-CD2 4.03Å; V200-T224 PolarHBondContact O-N 3.33Å; V200-M264 WeakPolarHBondContact CA-O 3.23Å; V200-M264 HydrophobicContact CG2-CB 4.31Å; V200-I266 HydrophobicContact CG1-CD1 4.09Å; V200-I266 HydrophobicContact CG1-CG1 4.27Å |
| 201 | L | 98.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.2 | 170.6 | 178.2 | 66.5 | 0 | 0 | 0 | 109.5 | V203 T224 F255 V258 F262 M264 I265 I266 | L201-V203 HydrophobicContact CD1-CG2 4.46Å; L201-V203 HydrophobicContact CD2-CG2 3.66Å; L201-V203 HydrophobicContact CG-CG2 3.68Å; L201-T224 CarbonylContact C-O 3.26Å; L201-T224 VanDerWaalsContact CA-O 3.3Å; L201-T224 WeakPolarHBondContact CA-O 3.37Å; L201-T224 HydrophobicContact CD1-CG2 3.74Å; L201-F255 HydrophobicContact CD2-CD1 4.17Å; L201-F255 HydrophobicContact CD2-CE1 3.86Å; L201-V258 HydrophobicContact CD1-CG1 4.48Å; L201-V258 HydrophobicContact CD1-CG2 4.32Å; L201-V258 HydrophobicContact CD2-CG1 3.74Å; L201-V258 HydrophobicContact CD2-CG2 4.17Å; L201-F262 HydrophobicContact CB-CB 4.32Å; L201-F262 HydrophobicContact CB-CD1 3.63Å; L201-F262 HydrophobicContact CB-CD2 4.02Å; L201-F262 HydrophobicContact CB-CE1 3.9Å; L201-F262 HydrophobicContact CB-CE2 4.28Å; L201-F262 HydrophobicContact CB-CG 3.7Å; L201-F262 HydrophobicContact CB-CZ 4.22Å; L201-F262 HydrophobicContact CD1-CE1 4.36Å; L201-F262 HydrophobicContact CD1-CZ 4.15Å; L201-F262 HydrophobicContact CD2-CD2 4.06Å; L201-F262 HydrophobicContact CD2-CE2 4.03Å; L201-F262 HydrophobicContact CD2-CZ 4.47Å; L201-M264 PolarHBondContact N-O 3.46Å; L201-I265 HydrophobicContact CB-CG1 4.23Å; L201-I265 HydrophobicContact CB-CG2 4.35Å; L201-I265 HydrophobicContact CD2-CD1 4.36Å; L201-I265 HydrophobicContact CD2-CG1 4.4Å; L201-I265 HydrophobicContact CD2-CG2 4.22Å; L201-I265 HydrophobicContact CG-CG2 4.41Å; L201-I265 CarbonylContact O-C 3.54Å; L201-I265 WeakPolarHBondContact O-CA 3.28Å; L201-I266 PolarHBondContact O-N 2.94Å |
| 202 | D | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108.5 | 171.2 | -171.5 | -1.4 | 0 | 0 | 0 | 109.3 | S211 T224 L225 C226 I266 | D202-S211 VanDerWaalsContact CB-OG 3.25Å; D202-S211 WeakPolarHBondContact CB-OG 3.49Å; D202-S211 PolarHBondContact OD2-OG 2.93Å; D202-T224 PolarHBondContact N-O 3.42Å; D202-L225 HydrophobicContact CB-CD2 4.39Å; D202-L225 HydrophobicContact CB-CG 4.07Å; D202-L225 WeakPolarHBondContact O-CA 3.24Å; D202-C226 PolarHBondContact O-N 3.24Å; D202-I266 HydrophobicContact CB-CD1 4.28Å; D202-I266 HydrophobicContact CB-CG1 3.97Å |
| 203 | V | 98.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | L201 V254 F255 I265 I266 S267 | L201-V203 HydrophobicContact CD1-CG2 4.46Å; L201-V203 HydrophobicContact CD2-CG2 3.66Å; L201-V203 HydrophobicContact CG-CG2 3.68Å; V203-V254 HydrophobicContact CG1-CG1 4.26Å; V203-F255 HydrophobicContact CG2-CE1 3.81Å; V203-F255 HydrophobicContact CG2-CZ 4.34Å; V203-I265 HydrophobicContact CG2-CG2 3.9Å; V203-I266 PolarHBondContact N-O 2.82Å; V203-S267 WeakPolarHBondContact O-CA 3.41Å; V203-S267 VanDerWaalsContact O-CB 3.29Å; V203-S267 WeakPolarHBondContact O-CB 3.48Å; V203-S267 PolarHBondContact O-OG 3.15Å |
| 204 | G | 96.4 | Very high | 96 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 36% | 0.361 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 80.5 | 46.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G206 C226 D227 | G204-G206 PolarHBondContact O-N 2.97Å; G204-G206 VanDerWaalsContact O-N 3.11Å; G204-C226 PolarHBondContact N-O 3.1Å; G204-D227 VanDerWaalsContact C-OD2 3.29Å |
| 205 | C | 95 | Very high | 96.2 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 5% | 0.054 | 14% | 0.135 | C | C | . | . | trans | -66.2 | -17.5 | -165.6 | 64.4 | 0 | 0 | 0 | 0 | 114.8 | A207 G208 L225 C226 D227 S236 | C205-A207 PolarHBondContact O-N 3.36Å; C205-G208 WeakPolarHBondContact O-CA 3.47Å; C205-G208 PolarHBondContact O-N 3.43Å; C205-L225 HydrophobicContact CB-CB 3.82Å; C205-L225 HydrophobicContact CB-CD2 3.72Å; C205-L225 HydrophobicContact CB-CG 4.27Å; C205-C226 PolarHBondContact N-O 2.62Å; C205-D227 PolarHBondContact N-OD2 3.39Å; C205-S236 PolarHBondContact SG-OG 3.14Å | ||
| 206 | G | 95.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 8% | 0.082 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -123.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V175 G204 G208 D227 A232 S236 | V175-G206 VanDerWaalsContact CG1-C 3.44Å; G204-G206 PolarHBondContact O-N 2.97Å; G204-G206 VanDerWaalsContact O-N 3.11Å; G206-G208 VanDerWaalsContact C-N 3.31Å; G206-D227 PolarHBondContact N-OD2 3.46Å; G206-A232 CarbonylContact O-C 3.59Å; G206-A232 VanDerWaalsContact O-C 3.31Å; G206-A232 VanDerWaalsContact O-CA 3.25Å; G206-A232 WeakPolarHBondContact O-CA 3.45Å; G206-A232 VanDerWaalsContact O-CB 3.3Å; G206-A232 WeakPolarHBondContact O-CB 3.16Å; G206-S236 PolarHBondContact O-OG 3.25Å |
| 207 | A | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | V169 V175 C205 V209 A235 T239 | V169-A207 HydrophobicContact CG1-CB 3.94Å; V175-A207 HydrophobicContact CG1-CB 3.99Å; C205-A207 PolarHBondContact O-N 3.36Å; A207-V209 HydrophobicContact CB-CG2 4.11Å; A207-A235 HydrophobicContact CB-CB 4.25Å; A207-T239 WeakPolarHBondContact O-CB 3.25Å; A207-T239 WeakPolarHBondContact O-CG2 3.45Å; A207-T239 PolarHBondContact O-OG1 3.47Å |
| 208 | G | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 80.8 | 10.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C205 G206 L210 S211 V212 S236 | C205-G208 WeakPolarHBondContact O-CA 3.47Å; C205-G208 PolarHBondContact O-N 3.43Å; G206-G208 VanDerWaalsContact C-N 3.31Å; G208-L210 PolarHBondContact O-N 3.47Å; G208-S211 PolarHBondContact O-N 2.97Å; G208-V212 WeakPolarHBondContact O-CG2 3.06Å; G208-V212 PolarHBondContact O-N 3.26Å; G208-S236 WeakPolarHBondContact CA-OG 3.39Å; G208-S236 PolarHBondContact N-OG 2.95Å; G208-S236 VanDerWaalsContact N-OG 3.11Å |
| 209 | V | 94.3 | Very high | 96 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | -173.4 | -166.6 | 0 | 0 | 0 | 0 | 111.8 | V164 V169 L181 A207 S211 V212 A213 | V164-V209 HydrophobicContact CG1-CG1 4.18Å; V169-V209 HydrophobicContact CB-CG2 4.47Å; V169-V209 HydrophobicContact CG1-CG2 3.75Å; V169-V209 HydrophobicContact CG2-CG1 4.09Å; V169-V209 HydrophobicContact CG2-CG2 3.82Å; L181-V209 HydrophobicContact CB-CG1 4.39Å; L181-V209 HydrophobicContact CD1-CB 4.22Å; L181-V209 HydrophobicContact CD1-CG1 3.54Å; A207-V209 HydrophobicContact CB-CG2 4.11Å; V209-S211 VanDerWaalsContact C-N 3.35Å; V209-S211 PolarHBondContact O-N 3.12Å; V209-V212 WeakPolarHBondContact O-CG2 3.29Å; V209-V212 PolarHBondContact O-N 3.11Å; V209-A213 VanDerWaalsContact O-CB 3.23Å; V209-A213 WeakPolarHBondContact O-CB 3.4Å; V209-A213 PolarHBondContact O-N 2.86Å |
| 210 | L | 93.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.4 | -47.8 | 178.7 | -179.3 | 66.1 | 0 | 0 | 0 | 111.2 | L188 L189 G208 A213 F214 I266 | L188-L210 HydrophobicContact CD2-CD1 3.98Å; L188-L210 HydrophobicContact CD2-CD2 3.6Å; L188-L210 HydrophobicContact CD2-CG 4.43Å; L188-L210 HydrophobicContact CG-CD1 4.32Å; L189-L210 HydrophobicContact CD1-CD1 4.16Å; L189-L210 HydrophobicContact CD2-CD1 3.73Å; L189-L210 HydrophobicContact CG-CD1 3.58Å; G208-L210 PolarHBondContact O-N 3.47Å; L210-A213 PolarHBondContact O-N 3.25Å; L210-F214 WeakPolarHBondContact O-CB 3.46Å; L210-F214 PolarHBondContact O-N 3.44Å; L210-I266 HydrophobicContact CD2-CB 4.38Å; L210-I266 HydrophobicContact CD2-CD1 3.69Å; L210-I266 HydrophobicContact CD2-CG1 4.01Å; L210-I266 HydrophobicContact CG-CD1 3.9Å |
| 211 | S | 95.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 179.5 | -81.4 | 0 | 0 | 0 | 0 | 113.3 | D202 G208 V209 F214 A215 L225 | D202-S211 VanDerWaalsContact CB-OG 3.25Å; D202-S211 WeakPolarHBondContact CB-OG 3.49Å; D202-S211 PolarHBondContact OD2-OG 2.93Å; G208-S211 PolarHBondContact O-N 2.97Å; V209-S211 VanDerWaalsContact C-N 3.35Å; V209-S211 PolarHBondContact O-N 3.12Å; S211-F214 PolarHBondContact O-N 3.38Å; S211-A215 WeakPolarHBondContact O-CB 3.35Å; S211-A215 PolarHBondContact O-N 2.85Å; S211-L225 VanDerWaalsContact OG-CD2 3.25Å; S211-L225 WeakPolarHBondContact OG-CD2 3.35Å |
| 212 | V | 95.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.6 | -34.9 | 178.4 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | L167 G208 V209 F214 A215 R216 T239 N243 V245 | L167-V212 HydrophobicContact CD1-CG2 4.22Å; L167-V212 HydrophobicContact CD2-CG2 4.26Å; G208-V212 WeakPolarHBondContact O-CG2 3.06Å; G208-V212 PolarHBondContact O-N 3.26Å; V209-V212 WeakPolarHBondContact O-CG2 3.29Å; V209-V212 PolarHBondContact O-N 3.11Å; V212-F214 VanDerWaalsContact C-N 3.34Å; V212-A215 PolarHBondContact O-N 3.27Å; V212-R216 PolarHBondContact O-N 2.85Å; V212-R216 VanDerWaalsContact O-N 3.1Å; V212-T239 HydrophobicContact CG1-CG2 3.97Å; V212-T239 HydrophobicContact CG2-CG2 3.85Å; V212-N243 HydrophobicContact CB-CB 4.49Å; V212-N243 HydrophobicContact CG1-CB 4.43Å; V212-V245 HydrophobicContact CB-CG2 4.37Å; V212-V245 HydrophobicContact CG1-CB 4.21Å; V212-V245 HydrophobicContact CG1-CG2 4.21Å |
| 213 | A | 94.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 5% | 0.05 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L167 L189 V209 L210 H217 | L167-A213 HydrophobicContact CD1-CB 3.67Å; L189-A213 HydrophobicContact CD1-CB 3.66Å; L189-A213 HydrophobicContact CD2-CB 3.89Å; L189-A213 HydrophobicContact CG-CB 4.46Å; V209-A213 VanDerWaalsContact O-CB 3.23Å; V209-A213 WeakPolarHBondContact O-CB 3.4Å; V209-A213 PolarHBondContact O-N 2.86Å; L210-A213 PolarHBondContact O-N 3.25Å; A213-H217 PolarHBondContact O-ND1 2.91Å |
| 214 | F | 95.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.9 | -45 | 175.5 | -170.5 | -169.6 | 0 | 0 | 0 | 111.4 | L189 L192 T196 V200 L210 S211 V212 R216 H217 S218 I221 M264 I266 | L189-F214 HydrophobicContact CD2-CB 4.24Å; L192-F214 HydrophobicContact CB-CD2 4.12Å; L192-F214 HydrophobicContact CB-CE2 3.79Å; L192-F214 HydrophobicContact CB-CZ 4.21Å; L192-F214 HydrophobicContact CD1-CB 4.26Å; L192-F214 HydrophobicContact CD1-CD1 3.66Å; L192-F214 HydrophobicContact CD1-CD2 3.75Å; L192-F214 HydrophobicContact CD1-CE1 3.78Å; L192-F214 HydrophobicContact CD1-CE2 3.89Å; L192-F214 HydrophobicContact CD1-CG 3.64Å; L192-F214 HydrophobicContact CD1-CZ 3.89Å; L192-F214 HydrophobicContact CD2-CE1 4.48Å; L192-F214 HydrophobicContact CD2-CZ 4.24Å; L192-F214 HydrophobicContact CG-CE2 4.32Å; L192-F214 HydrophobicContact CG-CZ 4.34Å; T196-F214 HydrophobicContact CG2-CE2 4.32Å; T196-F214 HydrophobicContact CG2-CZ 3.83Å; V200-F214 HydrophobicContact CG1-CD1 4.24Å; V200-F214 HydrophobicContact CG1-CE1 3.98Å; V200-F214 HydrophobicContact CG2-CE1 3.97Å; L210-F214 WeakPolarHBondContact O-CB 3.46Å; L210-F214 PolarHBondContact O-N 3.44Å; S211-F214 PolarHBondContact O-N 3.38Å; V212-F214 VanDerWaalsContact C-N 3.34Å; F214-R216 PolarHBondContact O-N 2.98Å; F214-H217 PolarHBondContact O-N 3.07Å; F214-S218 WeakPolarHBondContact CE2-OG 3.32Å; F214-S218 PolarHBondContact O-N 2.71Å; F214-I221 HydrophobicContact CB-CD1 4.19Å; F214-I221 HydrophobicContact CD1-CD1 3.72Å; F214-I221 HydrophobicContact CD2-CD1 4.19Å; F214-I221 HydrophobicContact CE1-CD1 4.17Å; F214-I221 HydrophobicContact CG-CD1 3.74Å; F214-I221 HydrophobicContact CZ-CG2 4.41Å; F214-M264 HydrophobicContact CE1-SD 3.9Å; F214-M264 HydrophobicContact CZ-SD 4.01Å; F214-I266 HydrophobicContact CD1-CD1 4.13Å |
| 215 | A | 96.8 | Very high | 96 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.9 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S211 V212 H217 S218 P219 I221 L223 V245 | S211-A215 WeakPolarHBondContact O-CB 3.35Å; S211-A215 PolarHBondContact O-N 2.85Å; V212-A215 PolarHBondContact O-N 3.27Å; A215-H217 VanDerWaalsContact C-N 3.3Å; A215-H217 PolarHBondContact O-N 3.4Å; A215-S218 CarbonylContact O-C 3.6Å; A215-S218 VanDerWaalsContact O-C 3.26Å; A215-S218 PolarHBondContact O-N 2.72Å; A215-P219 WeakPolarHBondContact O-CA 3.39Å; A215-P219 VanDerWaalsContact O-N 3.13Å; A215-I221 HydrophobicContact CB-CD1 4.35Å; A215-L223 HydrophobicContact CB-CD1 3.99Å; A215-V245 HydrophobicContact CB-CB 4.42Å; A215-V245 HydrophobicContact CB-CG1 3.51Å; A215-V245 HydrophobicContact CB-CG2 3.94Å |
| 216 | R | 94.5 | Very high | 96.1 | Very high | 117 Ų | 117 | 32.4 Ų | 32.4 | 44% | 0.442 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -55.7 | -41.9 | 179.2 | -170.2 | 177.3 | 76.2 | -166.2 | 7.3 | 113.3 | D165 V212 F214 | D165-R216 PolarHBondContact O-NH1 3.2Å; V212-R216 PolarHBondContact O-N 2.85Å; V212-R216 VanDerWaalsContact O-N 3.1Å; F214-R216 PolarHBondContact O-N 2.98Å |
| 217 | H | 93.1 | Very high | 96.3 | Very high | 88 Ų | 88 | 33.1 Ų | 33.1 | 41% | 0.407 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -98.2 | -12.2 | -179 | -49 | 95.7 | 0 | 0 | 0 | 112.8 | P194 H195 A213 F214 A215 | P194-H217 HydrophobicContact CB-CB 4.48Å; H195-H217 PolarHBondContact N-O 3.01Å; A213-H217 PolarHBondContact O-ND1 2.91Å; F214-H217 PolarHBondContact O-N 3.07Å; A215-H217 VanDerWaalsContact C-N 3.3Å; A215-H217 PolarHBondContact O-N 3.4Å |
| 218 | S | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | trans | -132.9 | 64.1 | -179.3 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | T193 H195 T196 F214 A215 K220 I221 | T193-S218 PolarHBondContact O-OG 2.86Å; H195-S218 PolarHBondContact N-OG 3.11Å; T196-S218 WeakPolarHBondContact CB-OG 3.46Å; T196-S218 PolarHBondContact N-OG 3.45Å; F214-S218 WeakPolarHBondContact CE2-OG 3.32Å; F214-S218 PolarHBondContact O-N 2.71Å; A215-S218 CarbonylContact O-C 3.6Å; A215-S218 VanDerWaalsContact O-C 3.26Å; A215-S218 PolarHBondContact O-N 2.72Å; S218-K220 PolarHBondContact O-N 2.86Å; S218-I221 VanDerWaalsContact O-CG1 3.27Å; S218-I221 WeakPolarHBondContact O-CG1 3.48Å; S218-I221 PolarHBondContact O-N 2.84Å; S218-I221 VanDerWaalsContact O-N 3.1Å | ||
| 219 | P | 95.2 | Very high | 96.5 | Very high | 98 Ų | 98 | 35.1 Ų | 35.1 | 64% | 0.636 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -1.3 | -170.1 | 27.5 | -37.5 | 0 | 0 | 0 | 115.2 | A215 | A215-P219 WeakPolarHBondContact O-CA 3.39Å; A215-P219 VanDerWaalsContact O-N 3.13Å |
| 220 | K | 96.4 | Very high | 96.7 | Very high | 146 Ų | 146 | 35.1 Ų | 35.1 | 64% | 0.635 | 17% | 0.169 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 2.3 | 178.3 | -66.5 | -166.7 | 176.9 | -171.7 | 0 | 113.4 | K197 S218 | K197-K220 HydrophobicContact CG-CB 4.13Å; S218-K220 PolarHBondContact O-N 2.86Å |
| 221 | I | 97.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.087 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.8 | 169.7 | 67.2 | -174.5 | 0 | 0 | 0 | 109.5 | T196 G198 V200 F214 A215 S218 L223 | T196-I221 HydrophobicContact CG2-CG2 4.2Å; T196-I221 WeakPolarHBondContact O-CG2 2.93Å; G198-I221 CarbonylContact O-C 3.58Å; G198-I221 WeakPolarHBondContact O-CA 3.3Å; V200-I221 HydrophobicContact CG2-CB 3.89Å; V200-I221 HydrophobicContact CG2-CG2 3.93Å; F214-I221 HydrophobicContact CB-CD1 4.19Å; F214-I221 HydrophobicContact CD1-CD1 3.72Å; F214-I221 HydrophobicContact CD2-CD1 4.19Å; F214-I221 HydrophobicContact CE1-CD1 4.17Å; F214-I221 HydrophobicContact CG-CD1 3.74Å; F214-I221 HydrophobicContact CZ-CG2 4.41Å; A215-I221 HydrophobicContact CB-CD1 4.35Å; S218-I221 VanDerWaalsContact O-CG1 3.27Å; S218-I221 WeakPolarHBondContact O-CG1 3.48Å; S218-I221 PolarHBondContact O-N 2.84Å; S218-I221 VanDerWaalsContact O-N 3.1Å; I221-L223 HydrophobicContact CD1-CD1 4.02Å; I221-L223 HydrophobicContact CD1-CD2 3.85Å; I221-L223 HydrophobicContact CD1-CG 3.94Å; I221-L223 HydrophobicContact CG1-CD1 4.22Å; I221-L223 HydrophobicContact CG1-CD2 4.34Å; I221-L223 HydrophobicContact CG1-CG 3.97Å |
| 222 | R | 98.2 | Very high | 97 | Very high | 144 Ų | 144 | 34.9 Ų | 34.9 | 54% | 0.543 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.4 | 169.9 | -67.7 | 177.1 | -64.7 | -96.9 | -5.1 | 107.4 | G198 K199 V200 | G198-R222 PolarHBondContact O-N 2.83Å; K199-R222 WeakPolarHBondContact CA-O 3.5Å; V200-R222 PolarHBondContact N-O 3.46Å |
| 223 | L | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.8 | -172.4 | -73.5 | 162.8 | 0 | 0 | 0 | 111.6 | V200 A215 I221 L225 V245 G247 E248 | V200-L223 HydrophobicContact CB-CD2 3.97Å; V200-L223 HydrophobicContact CG1-CD2 4.03Å; A215-L223 HydrophobicContact CB-CD1 3.99Å; I221-L223 HydrophobicContact CD1-CD1 4.02Å; I221-L223 HydrophobicContact CD1-CD2 3.85Å; I221-L223 HydrophobicContact CD1-CG 3.94Å; I221-L223 HydrophobicContact CG1-CD1 4.22Å; I221-L223 HydrophobicContact CG1-CD2 4.34Å; I221-L223 HydrophobicContact CG1-CG 3.97Å; L223-L225 HydrophobicContact CB-CD1 3.9Å; L223-V245 HydrophobicContact CD1-CG1 3.87Å; L223-G247 WeakPolarHBondContact O-CA 3.34Å; L223-E248 PolarHBondContact O-N 3.37Å |
| 224 | T | 98.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.4 | 161.1 | -60.3 | 0 | 0 | 0 | 0 | 107.3 | V200 L201 D202 E248 F250 F262 | V200-T224 PolarHBondContact O-N 3.33Å; L201-T224 CarbonylContact C-O 3.26Å; L201-T224 VanDerWaalsContact CA-O 3.3Å; L201-T224 WeakPolarHBondContact CA-O 3.37Å; L201-T224 HydrophobicContact CD1-CG2 3.74Å; D202-T224 PolarHBondContact N-O 3.42Å; T224-E248 CarbonylContact C-O 3.59Å; T224-E248 VanDerWaalsContact CA-O 3.3Å; T224-E248 WeakPolarHBondContact CA-O 3.33Å; T224-F250 HydrophobicContact CG2-CD1 4.34Å; T224-F250 HydrophobicContact CG2-CE1 3.32Å; T224-F250 HydrophobicContact CG2-CZ 3.75Å; T224-F262 HydrophobicContact CG2-CE1 4.32Å; T224-F262 HydrophobicContact CG2-CZ 4.23Å |
| 225 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.7 | -176.4 | -62.8 | 90.6 | 0 | 0 | 0 | 109.3 | D202 C205 S211 L223 H240 E248 V249 F250 | D202-L225 HydrophobicContact CB-CD2 4.39Å; D202-L225 HydrophobicContact CB-CG 4.07Å; D202-L225 WeakPolarHBondContact O-CA 3.24Å; C205-L225 HydrophobicContact CB-CB 3.82Å; C205-L225 HydrophobicContact CB-CD2 3.72Å; C205-L225 HydrophobicContact CB-CG 4.27Å; S211-L225 VanDerWaalsContact OG-CD2 3.25Å; S211-L225 WeakPolarHBondContact OG-CD2 3.35Å; L223-L225 HydrophobicContact CB-CD1 3.9Å; L225-H240 WeakPolarHBondContact CD2-NE2 3.29Å; L225-E248 PolarHBondContact N-O 2.67Å; L225-V249 HydrophobicContact CB-CB 4.47Å; L225-V249 HydrophobicContact CB-CG1 4.17Å; L225-V249 HydrophobicContact CB-CG2 4.22Å; L225-V249 HydrophobicContact CD1-CG2 4.15Å; L225-V249 WeakPolarHBondContact O-CA 3.23Å; L225-F250 PolarHBondContact O-N 2.7Å |
| 226 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.7 | 172.2 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | D202 G204 C205 F250 | D202-C226 PolarHBondContact O-N 3.24Å; G204-C226 PolarHBondContact N-O 3.1Å; C205-C226 PolarHBondContact N-O 2.62Å; C226-F250 WeakPolarHBondContact CA-O 3.12Å; C226-F250 HydrophobicContact CB-CD2 3.94Å; C226-F250 HydrophobicContact CB-CE2 3.7Å; C226-F250 HydrophobicContact CB-CZ 4.27Å; C226-F250 WeakPolarHBondContact CB-O 3.46Å |
| 227 | D | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.1 | 175.8 | -155.3 | -68.3 | 0 | 0 | 0 | 109.8 | G204 C205 G206 S229 A232 V233 F250 A251 S252 | G204-D227 VanDerWaalsContact C-OD2 3.29Å; C205-D227 PolarHBondContact N-OD2 3.39Å; G206-D227 PolarHBondContact N-OD2 3.46Å; D227-S229 WeakPolarHBondContact OD1-CB 3.25Å; D227-S229 PolarHBondContact OD1-N 3.27Å; D227-A232 HydrophobicContact CB-CB 3.8Å; D227-A232 VanDerWaalsContact CG-CB 3.48Å; D227-V233 HydrophobicContact CB-CG2 4.39Å; D227-F250 PolarHBondContact N-O 3.04Å; D227-A251 CarbonylContact O-C 3.47Å; D227-A251 VanDerWaalsContact O-CA 3.24Å; D227-A251 WeakPolarHBondContact O-CA 3.38Å; D227-S252 CarbonylContact C-O 3.56Å; D227-S252 PolarHBondContact O-N 3.23Å |
| 228 | V | 98.2 | Very high | 97.9 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -78.7 | -24.3 | 171.8 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | F49 H50 S252 | F49-V228 WeakPolarHBondContact CB-O 3.44Å; F49-V228 PolarHBondContact N-O 3.14Å; H50-V228 HydrophobicContact CB-CG1 4.12Å; H50-V228 VanDerWaalsContact ND1-CB 3.32Å; H50-V228 WeakPolarHBondContact ND1-CB 3.42Å; H50-V228 WeakPolarHBondContact ND1-CG1 3.27Å; V228-S252 VanDerWaalsContact CG1-O 3.23Å; V228-S252 WeakPolarHBondContact CG1-O 3.35Å; V228-S252 PolarHBondContact N-O 3.41Å |
| 229 | S | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 121.3 | -171.9 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | Q47 D227 P231 A232 V233 | Q47-S229 WeakPolarHBondContact O-CA 3.4Å; D227-S229 WeakPolarHBondContact OD1-CB 3.25Å; D227-S229 PolarHBondContact OD1-N 3.27Å; S229-P231 VanDerWaalsContact OG-CD 3.29Å; S229-P231 WeakPolarHBondContact OG-CD 3.35Å; S229-A232 WeakPolarHBondContact O-CB 3.42Å; S229-A232 PolarHBondContact O-N 2.83Å; S229-A232 PolarHBondContact OG-N 3.46Å; S229-V233 PolarHBondContact O-N 3.2Å |
| 230 | A | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.6 | -44.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q47 F65 L67 A232 V233 E234 | Q47-A230 HydrophobicContact CB-CB 4.43Å; Q47-A230 PolarHBondContact O-N 3.01Å; F65-A230 HydrophobicContact CE2-CB 3.82Å; F65-A230 HydrophobicContact CZ-CB 3.75Å; L67-A230 HydrophobicContact CB-CB 4.24Å; A230-A232 VanDerWaalsContact C-N 3.29Å; A230-A232 PolarHBondContact O-N 3.06Å; A230-V233 PolarHBondContact O-N 3.33Å; A230-E234 PolarHBondContact O-N 2.69Å |
| 231 | P | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53.3 | -40.8 | 169.8 | -26.9 | 30.7 | 0 | 0 | 0 | 114.3 | Q47 L67 L172 V175 S229 A235 | Q47-P231 HydrophobicContact CB-CG 4.45Å; L67-P231 HydrophobicContact CD1-CB 4.11Å; L67-P231 HydrophobicContact CD1-CG 3.66Å; L172-P231 HydrophobicContact CB-CB 4.05Å; V175-P231 HydrophobicContact CG2-CB 3.5Å; V175-P231 VanDerWaalsContact CG2-CB 3.5Å; V175-P231 WeakPolarHBondContact CG2-O 3.49Å; S229-P231 VanDerWaalsContact OG-CD 3.29Å; S229-P231 WeakPolarHBondContact OG-CD 3.35Å; P231-A235 WeakPolarHBondContact O-CB 3.44Å; P231-A235 PolarHBondContact O-N 3.2Å |
| 232 | A | 97.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.8 | -42.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V175 G206 D227 S229 A230 E234 A235 S236 | V175-A232 HydrophobicContact CG1-CB 4.18Å; V175-A232 HydrophobicContact CG2-CB 4.45Å; G206-A232 CarbonylContact O-C 3.59Å; G206-A232 VanDerWaalsContact O-C 3.31Å; G206-A232 VanDerWaalsContact O-CA 3.25Å; G206-A232 WeakPolarHBondContact O-CA 3.45Å; G206-A232 VanDerWaalsContact O-CB 3.3Å; G206-A232 WeakPolarHBondContact O-CB 3.16Å; D227-A232 HydrophobicContact CB-CB 3.8Å; D227-A232 VanDerWaalsContact CG-CB 3.48Å; S229-A232 WeakPolarHBondContact O-CB 3.42Å; S229-A232 PolarHBondContact O-N 2.83Å; S229-A232 PolarHBondContact OG-N 3.46Å; A230-A232 VanDerWaalsContact C-N 3.29Å; A230-A232 PolarHBondContact O-N 3.06Å; A232-E234 PolarHBondContact O-N 3.13Å; A232-A235 PolarHBondContact O-N 2.76Å; A232-S236 VanDerWaalsContact O-CB 3.24Å; A232-S236 WeakPolarHBondContact O-CB 3.31Å; A232-S236 PolarHBondContact O-N 3.16Å; A232-S236 PolarHBondContact O-OG 3.19Å |
| 233 | V | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | D227 S229 A230 S236 R237 V249 A251 | D227-V233 HydrophobicContact CB-CG2 4.39Å; S229-V233 PolarHBondContact O-N 3.2Å; A230-V233 PolarHBondContact O-N 3.33Å; V233-S236 PolarHBondContact O-N 2.92Å; V233-R237 WeakPolarHBondContact O-CG 3.48Å; V233-R237 PolarHBondContact O-N 2.99Å; V233-R237 VanDerWaalsContact O-N 3.09Å; V233-V249 HydrophobicContact CB-CG1 4.44Å; V233-V249 HydrophobicContact CG1-CG1 4.05Å; V233-A251 HydrophobicContact CG2-CB 4.17Å |
| 234 | E | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 26 Ų | 26 | 34% | 0.341 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.3 | -42.2 | -180 | -65.5 | -51.6 | 128.3 | 0 | 0 | 112.3 | L67 W159 L172 A230 A232 S236 R237 A238 | L67-E234 HydrophobicContact CB-CG 4.43Å; L67-E234 HydrophobicContact CD2-CB 4.21Å; L67-E234 HydrophobicContact CD2-CG 3.93Å; W159-E234 HydrophobicContact CH2-CB 4.26Å; L172-E234 HydrophobicContact CD1-CB 4.05Å; A230-E234 PolarHBondContact O-N 2.69Å; A232-E234 PolarHBondContact O-N 3.13Å; E234-S236 PolarHBondContact O-N 3.3Å; E234-R237 PolarHBondContact O-N 2.99Å; E234-R237 IonicContact OE1-NE 2.82Å; E234-A238 WeakPolarHBondContact O-CB 3.41Å; E234-A238 PolarHBondContact O-N 3.36Å |
| 235 | A | 97.4 | Very high | 98 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K170 V175 A207 P231 A232 A238 T239 | K170-A235 WeakPolarHBondContact O-CB 3.49Å; V175-A235 HydrophobicContact CG1-CB 4.41Å; V175-A235 HydrophobicContact CG2-CB 4.12Å; A207-A235 HydrophobicContact CB-CB 4.25Å; P231-A235 WeakPolarHBondContact O-CB 3.44Å; P231-A235 PolarHBondContact O-N 3.2Å; A232-A235 PolarHBondContact O-N 2.76Å; A235-A238 PolarHBondContact O-N 2.87Å; A235-T239 WeakPolarHBondContact O-CB 3.4Å; A235-T239 PolarHBondContact O-N 3.45Å; A235-T239 PolarHBondContact O-OG1 2.73Å; A235-T239 VanDerWaalsContact O-OG1 3.11Å |
| 236 | S | 97.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 177.5 | -71 | 0 | 0 | 0 | 0 | 112.2 | C205 G206 G208 A232 V233 E234 A238 T239 H240 | C205-S236 PolarHBondContact SG-OG 3.14Å; G206-S236 PolarHBondContact O-OG 3.25Å; G208-S236 WeakPolarHBondContact CA-OG 3.39Å; G208-S236 PolarHBondContact N-OG 2.95Å; G208-S236 VanDerWaalsContact N-OG 3.11Å; A232-S236 VanDerWaalsContact O-CB 3.24Å; A232-S236 WeakPolarHBondContact O-CB 3.31Å; A232-S236 PolarHBondContact O-N 3.16Å; A232-S236 PolarHBondContact O-OG 3.19Å; V233-S236 PolarHBondContact O-N 2.92Å; E234-S236 PolarHBondContact O-N 3.3Å; S236-A238 VanDerWaalsContact C-N 3.34Å; S236-A238 PolarHBondContact O-N 2.93Å; S236-T239 PolarHBondContact O-N 2.84Å; S236-H240 WeakPolarHBondContact O-CB 3.1Å; S236-H240 PolarHBondContact O-CD2 3.29Å; S236-H240 VanDerWaalsContact O-CD2 3.26Å; S236-H240 PolarHBondContact O-N 3.02Å |
| 237 | R | 98.5 | Very high | 97.8 | Very high | 113 Ų | 113 | 36.9 Ų | 36.9 | 43% | 0.426 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 174.4 | -71.4 | -177.1 | -166.3 | -74.7 | 1.2 | 111.6 | V233 E234 H240 A241 V249 | V233-R237 WeakPolarHBondContact O-CG 3.48Å; V233-R237 PolarHBondContact O-N 2.99Å; V233-R237 VanDerWaalsContact O-N 3.09Å; E234-R237 PolarHBondContact O-N 2.99Å; E234-R237 IonicContact OE1-NE 2.82Å; R237-H240 PolarHBondContact O-N 3.28Å; R237-A241 WeakPolarHBondContact O-CB 3.48Å; R237-A241 PolarHBondContact O-N 3.25Å; R237-V249 HydrophobicContact CG-CB 3.73Å; R237-V249 HydrophobicContact CG-CG1 4.22Å; R237-V249 HydrophobicContact CG-CG2 3.86Å; R237-V249 PolarHBondContact NH1-O 3.46Å; R237-V249 VanDerWaalsContact NH1-O 3.16Å; R237-V249 PolarHBondContact NH2-O 3.09Å |
| 238 | A | 97.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 17% | 0.174 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W159 K170 E234 A235 S236 A241 A242 | W159-A238 HydrophobicContact CH2-CB 3.6Å; W159-A238 HydrophobicContact CZ3-CB 3.54Å; K170-A238 HydrophobicContact CB-CB 3.81Å; K170-A238 HydrophobicContact CD-CB 3.81Å; K170-A238 HydrophobicContact CG-CB 4.41Å; E234-A238 WeakPolarHBondContact O-CB 3.41Å; E234-A238 PolarHBondContact O-N 3.36Å; A235-A238 PolarHBondContact O-N 2.87Å; S236-A238 VanDerWaalsContact C-N 3.34Å; S236-A238 PolarHBondContact O-N 2.93Å; A238-A241 PolarHBondContact O-N 3.19Å; A238-A242 VanDerWaalsContact O-CB 3.32Å; A238-A242 WeakPolarHBondContact O-CB 3.46Å; A238-A242 PolarHBondContact O-N 2.93Å |
| 239 | T | 97.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 173.9 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | K170 A207 V212 A235 S236 A241 A242 N243 | K170-T239 PolarHBondContact N-OG1 2.97Å; K170-T239 PolarHBondContact O-OG1 3.4Å; K170-T239 VanDerWaalsContact O-OG1 3.07Å; A207-T239 WeakPolarHBondContact O-CB 3.25Å; A207-T239 WeakPolarHBondContact O-CG2 3.45Å; A207-T239 PolarHBondContact O-OG1 3.47Å; V212-T239 HydrophobicContact CG1-CG2 3.97Å; V212-T239 HydrophobicContact CG2-CG2 3.85Å; A235-T239 WeakPolarHBondContact O-CB 3.4Å; A235-T239 PolarHBondContact O-N 3.45Å; A235-T239 PolarHBondContact O-OG1 2.73Å; A235-T239 VanDerWaalsContact O-OG1 3.11Å; S236-T239 PolarHBondContact O-N 2.84Å; T239-A241 PolarHBondContact O-N 2.96Å; T239-A242 PolarHBondContact O-N 3.41Å; T239-N243 PolarHBondContact O-N 2.56Å; T239-N243 VanDerWaalsContact O-N 3.16Å; T239-N243 PolarHBondContact O-ND2 3.03Å |
| 240 | H | 97.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.6 | -49.3 | 174.7 | -94 | -108.3 | 0 | 0 | 0 | 112.2 | L225 S236 R237 A242 N243 G244 V245 | L225-H240 WeakPolarHBondContact CD2-NE2 3.29Å; S236-H240 WeakPolarHBondContact O-CB 3.1Å; S236-H240 PolarHBondContact O-CD2 3.29Å; S236-H240 VanDerWaalsContact O-CD2 3.26Å; S236-H240 PolarHBondContact O-N 3.02Å; R237-H240 PolarHBondContact O-N 3.28Å; H240-A242 VanDerWaalsContact C-N 3.35Å; H240-A242 PolarHBondContact O-N 3.25Å; H240-N243 PolarHBondContact O-N 3Å; H240-G244 PolarHBondContact O-N 3.24Å; H240-G244 VanDerWaalsContact O-N 3.12Å; H240-V245 WeakPolarHBondContact CB-O 3.22Å; H240-V245 PolarHBondContact ND1-O 3.42Å; H240-V245 PolarHBondContact O-N 3.1Å |
| 241 | A | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 65% | 0.653 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R237 A238 T239 N243 G244 | R237-A241 WeakPolarHBondContact O-CB 3.48Å; R237-A241 PolarHBondContact O-N 3.25Å; A238-A241 PolarHBondContact O-N 3.19Å; T239-A241 PolarHBondContact O-N 2.96Å; A241-N243 PolarHBondContact O-N 3.17Å; A241-G244 PolarHBondContact O-N 2.85Å |
| 242 | A | 97.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.4 | -25.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T168 A238 T239 H240 | T168-A242 HydrophobicContact CG2-CB 3.94Å; A238-A242 VanDerWaalsContact O-CB 3.32Å; A238-A242 WeakPolarHBondContact O-CB 3.46Å; A238-A242 PolarHBondContact O-N 2.93Å; T239-A242 PolarHBondContact O-N 3.41Å; H240-A242 VanDerWaalsContact C-N 3.35Å; H240-A242 PolarHBondContact O-N 3.25Å |
| 243 | N | 97.6 | Very high | 97.9 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 4.4 | 178.2 | -64.2 | -82.8 | 0 | 0 | 0 | 113.4 | L167 T168 V212 T239 H240 A241 V245 | L167-N243 WeakPolarHBondContact CA-OD1 3.39Å; T168-N243 PolarHBondContact N-OD1 3.01Å; T168-N243 PolarHBondContact O-ND2 2.97Å; V212-N243 HydrophobicContact CB-CB 4.49Å; V212-N243 HydrophobicContact CG1-CB 4.43Å; T239-N243 PolarHBondContact O-N 2.56Å; T239-N243 VanDerWaalsContact O-N 3.16Å; T239-N243 PolarHBondContact O-ND2 3.03Å; H240-N243 PolarHBondContact O-N 3Å; A241-N243 PolarHBondContact O-N 3.17Å; N243-V245 VanDerWaalsContact C-N 3.26Å; N243-V245 HydrophobicContact CB-CG2 4.06Å; N243-V245 PolarHBondContact O-N 3.48Å |
| 244 | G | 97.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 48 Ų | 48 | 73% | 0.732 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 30.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H240 A241 | H240-G244 PolarHBondContact O-N 3.24Å; H240-G244 VanDerWaalsContact O-N 3.12Å; A241-G244 PolarHBondContact O-N 2.85Å |
| 245 | V | 97.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 49.8 Ų | 49.8 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | -102.8 | 118.6 | -179.5 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | V212 A215 L223 H240 N243 | V212-V245 HydrophobicContact CB-CG2 4.37Å; V212-V245 HydrophobicContact CG1-CB 4.21Å; V212-V245 HydrophobicContact CG1-CG2 4.21Å; A215-V245 HydrophobicContact CB-CB 4.42Å; A215-V245 HydrophobicContact CB-CG1 3.51Å; A215-V245 HydrophobicContact CB-CG2 3.94Å; L223-V245 HydrophobicContact CD1-CG1 3.87Å; H240-V245 WeakPolarHBondContact CB-O 3.22Å; H240-V245 PolarHBondContact ND1-O 3.42Å; H240-V245 PolarHBondContact O-N 3.1Å; N243-V245 VanDerWaalsContact C-N 3.26Å; N243-V245 HydrophobicContact CB-CG2 4.06Å; N243-V245 PolarHBondContact O-N 3.48Å | ||
| 246 | E | 97.3 | Very high | 97.9 | Very high | 182 Ų | 182 | 51.8 Ų | 51.8 | 85% | 0.85 | 31% | 0.306 | S | S | * | . | trans | -70.9 | 139.7 | 172.9 | -65.6 | -177.4 | 175.5 | 0 | 0 | 111.3 | ||||
| 247 | G | 96.4 | Very high | 98 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 144.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L223 | L223-G247 WeakPolarHBondContact O-CA 3.34Å |
| 248 | E | 98.4 | Very high | 98 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 121.5 | 170.6 | -172.4 | -174.2 | -167.1 | 0 | 0 | 108.7 | L223 T224 L225 F250 | L223-E248 PolarHBondContact O-N 3.37Å; T224-E248 CarbonylContact C-O 3.59Å; T224-E248 VanDerWaalsContact CA-O 3.3Å; T224-E248 WeakPolarHBondContact CA-O 3.33Å; L225-E248 PolarHBondContact N-O 2.67Å; E248-F250 HydrophobicContact CG-CD1 3.99Å; E248-F250 HydrophobicContact CG-CE1 4.3Å |
| 249 | V | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.6 | 176.7 | -167.2 | 0 | 0 | 0 | 0 | 108.5 | L225 V233 R237 | L225-V249 HydrophobicContact CB-CB 4.47Å; L225-V249 HydrophobicContact CB-CG1 4.17Å; L225-V249 HydrophobicContact CB-CG2 4.22Å; L225-V249 HydrophobicContact CD1-CG2 4.15Å; L225-V249 WeakPolarHBondContact O-CA 3.23Å; V233-V249 HydrophobicContact CB-CG1 4.44Å; V233-V249 HydrophobicContact CG1-CG1 4.05Å; R237-V249 HydrophobicContact CG-CB 3.73Å; R237-V249 HydrophobicContact CG-CG1 4.22Å; R237-V249 HydrophobicContact CG-CG2 3.86Å; R237-V249 PolarHBondContact NH1-O 3.46Å; R237-V249 VanDerWaalsContact NH1-O 3.16Å; R237-V249 PolarHBondContact NH2-O 3.09Å |
| 250 | F | 98.8 | Very high | 98 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160.2 | 173.9 | 53.7 | -97.5 | 0 | 0 | 0 | 112.8 | T224 L225 C226 D227 E248 E257 V258 | T224-F250 HydrophobicContact CG2-CD1 4.34Å; T224-F250 HydrophobicContact CG2-CE1 3.32Å; T224-F250 HydrophobicContact CG2-CZ 3.75Å; L225-F250 PolarHBondContact O-N 2.7Å; C226-F250 WeakPolarHBondContact CA-O 3.12Å; C226-F250 HydrophobicContact CB-CD2 3.94Å; C226-F250 HydrophobicContact CB-CE2 3.7Å; C226-F250 HydrophobicContact CB-CZ 4.27Å; C226-F250 WeakPolarHBondContact CB-O 3.46Å; D227-F250 PolarHBondContact N-O 3.04Å; E248-F250 HydrophobicContact CG-CD1 3.99Å; E248-F250 HydrophobicContact CG-CE1 4.3Å; F250-E257 HydrophobicContact CD2-CB 4.01Å; F250-E257 HydrophobicContact CE2-CB 3.94Å; F250-V258 HydrophobicContact CE2-CG2 4.08Å; F250-V258 HydrophobicContact CZ-CG2 4.11Å |
| 251 | A | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 70.7 Ų | 70.7 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | F49 F65 D227 V233 | F49-A251 HydrophobicContact CB-CB 4.13Å; F49-A251 HydrophobicContact CD2-CB 3.73Å; F49-A251 HydrophobicContact CE2-CB 4.27Å; F49-A251 HydrophobicContact CG-CB 3.93Å; F65-A251 HydrophobicContact CE1-CB 3.62Å; F65-A251 HydrophobicContact CZ-CB 3.65Å; D227-A251 CarbonylContact O-C 3.47Å; D227-A251 VanDerWaalsContact O-CA 3.24Å; D227-A251 WeakPolarHBondContact O-CA 3.38Å; V233-A251 HydrophobicContact CG2-CB 4.17Å |
| 252 | S | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | trans | -152.8 | 142.9 | 177.1 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | D227 V228 V254 S256 E257 | D227-S252 CarbonylContact C-O 3.56Å; D227-S252 PolarHBondContact O-N 3.23Å; V228-S252 VanDerWaalsContact CG1-O 3.23Å; V228-S252 WeakPolarHBondContact CG1-O 3.35Å; V228-S252 PolarHBondContact N-O 3.41Å; S252-V254 WeakPolarHBondContact CB-O 3.39Å; S252-V254 PolarHBondContact O-N 3.4Å; S252-V254 PolarHBondContact OG-O 2.93Å; S252-S256 PolarHBondContact OG-N 3.26Å; S252-E257 PolarHBondContact OG-N 3.27Å; S252-E257 VanDerWaalsContact OG-N 3.11Å | ||
| 253 | N | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 72.5 Ų | 72.5 | 35% | 0.348 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -85.5 | 90.9 | 165.9 | -179 | 6.8 | 0 | 0 | 0 | 108.3 | F49 H50 Q53 F255 S256 | F49-N253 HydrophobicContact CD1-CB 4.28Å; H50-N253 HydrophobicContact CB-CB 4.03Å; Q53-N253 PolarHBondContact OE1-ND2 2.92Å; Q53-N253 VanDerWaalsContact OE1-ND2 3.13Å; N253-F255 PolarHBondContact O-N 2.64Å; N253-S256 PolarHBondContact N-OG 3.41Å; N253-S256 PolarHBondContact O-N 3.01Å |
| 254 | V | 97.8 | Very high | 98.1 | Very high | 74 Ų | 74 | 73.6 Ų | 73.6 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -107.4 | -170.5 | -166.4 | 0 | 0 | 0 | 0 | 109.3 | V203 S252 | V203-V254 HydrophobicContact CG1-CG1 4.26Å; S252-V254 WeakPolarHBondContact CB-O 3.39Å; S252-V254 PolarHBondContact O-N 3.4Å; S252-V254 PolarHBondContact OG-O 2.93Å |
| 255 | F | 98.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 48% | 0.478 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 4.7 | -177.1 | -58.7 | -66.7 | 0 | 0 | 0 | 114.6 | L201 V203 N253 E257 V258 I265 | L201-F255 HydrophobicContact CD2-CD1 4.17Å; L201-F255 HydrophobicContact CD2-CE1 3.86Å; V203-F255 HydrophobicContact CG2-CE1 3.81Å; V203-F255 HydrophobicContact CG2-CZ 4.34Å; N253-F255 PolarHBondContact O-N 2.64Å; F255-E257 VanDerWaalsContact C-N 3.3Å; F255-E257 PolarHBondContact O-N 2.87Å; F255-V258 HydrophobicContact CB-CB 4.38Å; F255-V258 HydrophobicContact CD1-CB 4.3Å; F255-V258 HydrophobicContact CD1-CG1 4.41Å; F255-V258 HydrophobicContact CD1-CG2 4.17Å; F255-V258 PolarHBondContact O-N 3.33Å; F255-V258 VanDerWaalsContact O-N 3.14Å; F255-I265 HydrophobicContact CE1-CD1 4.28Å |
| 256 | S | 98.3 | Very high | 98.1 | Very high | 42 Ų | 42 | 73.7 Ų | 73.7 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -56.3 | -42.2 | -171.6 | 79 | 0 | 0 | 0 | 0 | 113.5 | Q53 S252 N253 K259 | Q53-S256 PolarHBondContact NE2-OG 3.22Å; Q53-S256 VanDerWaalsContact NE2-OG 3.14Å; S252-S256 PolarHBondContact OG-N 3.26Å; N253-S256 PolarHBondContact N-OG 3.41Å; N253-S256 PolarHBondContact O-N 3.01Å; S256-K259 PolarHBondContact O-NZ 2.88Å; S256-K259 VanDerWaalsContact O-NZ 3.09Å |
| 257 | E | 98.3 | Very high | 98.1 | Very high | 71 Ų | 71 | 68.3 Ų | 68.3 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -98.6 | -6 | 179.8 | -54.5 | -38.8 | 120.8 | 0 | 0 | 113.4 | F49 F250 S252 F255 K259 | F49-E257 HydrophobicContact CE1-CG 3.83Å; F49-E257 HydrophobicContact CZ-CG 3.78Å; F250-E257 HydrophobicContact CD2-CB 4.01Å; F250-E257 HydrophobicContact CE2-CB 3.94Å; S252-E257 PolarHBondContact OG-N 3.27Å; S252-E257 VanDerWaalsContact OG-N 3.11Å; F255-E257 VanDerWaalsContact C-N 3.3Å; F255-E257 PolarHBondContact O-N 2.87Å; E257-K259 WeakPolarHBondContact O-CE 3.19Å; E257-K259 PolarHBondContact O-N 3.03Å |
| 258 | V | 98.3 | Very high | 97.9 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | trans | -70.9 | 121.4 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | L201 F250 F255 F262 | L201-V258 HydrophobicContact CD1-CG1 4.48Å; L201-V258 HydrophobicContact CD1-CG2 4.32Å; L201-V258 HydrophobicContact CD2-CG1 3.74Å; L201-V258 HydrophobicContact CD2-CG2 4.17Å; F250-V258 HydrophobicContact CE2-CG2 4.08Å; F250-V258 HydrophobicContact CZ-CG2 4.11Å; F255-V258 HydrophobicContact CB-CB 4.38Å; F255-V258 HydrophobicContact CD1-CB 4.3Å; F255-V258 HydrophobicContact CD1-CG1 4.41Å; F255-V258 HydrophobicContact CD1-CG2 4.17Å; F255-V258 PolarHBondContact O-N 3.33Å; F255-V258 VanDerWaalsContact O-N 3.14Å; V258-F262 HydrophobicContact CG1-CD2 4.42Å; V258-F262 HydrophobicContact CG1-CE2 3.5Å; V258-F262 VanDerWaalsContact CG1-CE2 3.5Å; V258-F262 HydrophobicContact CG1-CZ 4.12Å | ||
| 259 | K | 97.8 | Very high | 97.8 | Very high | 145 Ų | 145 | 69.8 Ų | 69.8 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | trans | -115.8 | 144.1 | 178 | -48.4 | -55.1 | 173.4 | -161.7 | 0 | 111.1 | S256 E257 | S256-K259 PolarHBondContact O-NZ 2.88Å; S256-K259 VanDerWaalsContact O-NZ 3.09Å; E257-K259 WeakPolarHBondContact O-CE 3.19Å; E257-K259 PolarHBondContact O-N 3.03Å | ||
| 260 | G | 97.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 73.3 Ų | 73.3 | 74% | 0.742 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 89.7 | -159.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 261 | R | 98.2 | Very high | 97.7 | Very high | 226 Ų | 226 | 75.4 Ų | 75.4 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | trans | -129.6 | 147.1 | -177.5 | -63.3 | 179.6 | -174.2 | 173.9 | 1 | 109.9 | K199 | K199-R261 WeakPolarHBondContact CD-O 3.32Š| ||
| 262 | F | 98.5 | Very high | 97.7 | Very high | 45 Ų | 45 | 78.8 Ų | 78.8 | 20% | 0.197 | 41% | 0.414 | C | S | . | . | trans | -120.9 | 151.7 | -177.1 | -62.1 | -90.5 | 0 | 0 | 0 | 110.1 | K199 L201 T224 V258 I265 | K199-F262 HydrophobicContact CB-CD1 3.87Å; L201-F262 HydrophobicContact CB-CB 4.32Å; L201-F262 HydrophobicContact CB-CD1 3.63Å; L201-F262 HydrophobicContact CB-CD2 4.02Å; L201-F262 HydrophobicContact CB-CE1 3.9Å; L201-F262 HydrophobicContact CB-CE2 4.28Å; L201-F262 HydrophobicContact CB-CG 3.7Å; L201-F262 HydrophobicContact CB-CZ 4.22Å; L201-F262 HydrophobicContact CD1-CE1 4.36Å; L201-F262 HydrophobicContact CD1-CZ 4.15Å; L201-F262 HydrophobicContact CD2-CD2 4.06Å; L201-F262 HydrophobicContact CD2-CE2 4.03Å; L201-F262 HydrophobicContact CD2-CZ 4.47Å; T224-F262 HydrophobicContact CG2-CE1 4.32Å; T224-F262 HydrophobicContact CG2-CZ 4.23Å; V258-F262 HydrophobicContact CG1-CD2 4.42Å; V258-F262 HydrophobicContact CG1-CE2 3.5Å; V258-F262 VanDerWaalsContact CG1-CE2 3.5Å; V258-F262 HydrophobicContact CG1-CZ 4.12Å; F262-I265 HydrophobicContact CB-CG1 4.23Å | ||
| 263 | D | 98.3 | Very high | 97.6 | Very high | 115 Ų | 115 | 83.7 Ų | 83.7 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -83.6 | -25.4 | 177.1 | -58.6 | -59.9 | 0 | 0 | 0 | 110.8 | G198 K199 | G198-D263 WeakPolarHBondContact CA-OD2 3.48Å; K199-D263 PolarHBondContact N-OD2 3.4Å; K199-D263 PolarHBondContact O-N 3.34Å |
| 264 | M | 98.2 | Very high | 97.6 | Very high | 66 Ų | 66 | 84.9 Ų | 84.9 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 141 | 175.8 | -175.6 | 178 | -72 | 0 | 0 | 109.8 | L192 T196 K199 V200 L201 F214 I266 | L192-M264 HydrophobicContact CD2-SD 4.01Å; T196-M264 HydrophobicContact CG2-CE 4.39Å; K199-M264 PolarHBondContact O-N 3.03Å; V200-M264 WeakPolarHBondContact CA-O 3.23Å; V200-M264 HydrophobicContact CG2-CB 4.31Å; L201-M264 PolarHBondContact N-O 3.46Å; F214-M264 HydrophobicContact CE1-SD 3.9Å; F214-M264 HydrophobicContact CZ-SD 4.01Å; M264-I266 HydrophobicContact CG-CG2 4.04Å; M264-I266 HydrophobicContact SD-CG2 4.07Å |
| 265 | I | 98.3 | Very high | 97.6 | Very high | 92 Ų | 92 | 85.7 Ų | 85.7 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.6 | 170.5 | -54 | 179.8 | 0 | 0 | 0 | 106.9 | L201 V203 F255 F262 | L201-I265 HydrophobicContact CB-CG1 4.23Å; L201-I265 HydrophobicContact CB-CG2 4.35Å; L201-I265 HydrophobicContact CD2-CD1 4.36Å; L201-I265 HydrophobicContact CD2-CG1 4.4Å; L201-I265 HydrophobicContact CD2-CG2 4.22Å; L201-I265 HydrophobicContact CG-CG2 4.41Å; L201-I265 CarbonylContact O-C 3.54Å; L201-I265 WeakPolarHBondContact O-CA 3.28Å; V203-I265 HydrophobicContact CG2-CG2 3.9Å; F255-I265 HydrophobicContact CE1-CD1 4.28Å; F262-I265 HydrophobicContact CB-CG1 4.23Å |
| 266 | I | 97.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 83.9 Ų | 83.9 | 5% | 0.046 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 151.7 | 175.3 | 65 | -177.9 | 0 | 0 | 0 | 109.3 | L188 V200 L201 D202 V203 L210 F214 M264 | L188-I266 HydrophobicContact CD2-CB 4.36Å; V200-I266 HydrophobicContact CG1-CD1 4.09Å; V200-I266 HydrophobicContact CG1-CG1 4.27Å; L201-I266 PolarHBondContact O-N 2.94Å; D202-I266 HydrophobicContact CB-CD1 4.28Å; D202-I266 HydrophobicContact CB-CG1 3.97Å; V203-I266 PolarHBondContact N-O 2.82Å; L210-I266 HydrophobicContact CD2-CB 4.38Å; L210-I266 HydrophobicContact CD2-CD1 3.69Å; L210-I266 HydrophobicContact CD2-CG1 4.01Å; L210-I266 HydrophobicContact CG-CD1 3.9Å; F214-I266 HydrophobicContact CD1-CD1 4.13Å; M264-I266 HydrophobicContact CG-CG2 4.04Å; M264-I266 HydrophobicContact SD-CG2 4.07Å |
| 267 | S | 96.6 | Very high | 97.4 | Very high | 69 Ų | 69 | 87.4 Ų | 87.4 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 145 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | V203 | V203-S267 WeakPolarHBondContact O-CA 3.41Å; V203-S267 VanDerWaalsContact O-CB 3.29Å; V203-S267 WeakPolarHBondContact O-CB 3.48Å; V203-S267 PolarHBondContact O-OG 3.15Å |
| 268 | N | 92.3 | Very high | 97.4 | Very high | 115 Ų | 115 | 88.9 Ų | 88.9 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | trans | -138 | 0 | 170.5 | -176.4 | 27.4 | 0 | 0 | 0 | 109.1 | D182 S185 | D182-N268 PolarHBondContact OD1-ND2 3.02Å; D182-N268 PolarHBondContact OD2-ND2 2.65Å; S185-N268 PolarHBondContact N-ND2 3.04Å; S185-N268 PolarHBondContact OG-ND2 3.18Å |
Retrieved 268 of 268 residues in 621 ms
(Link to these results)