| 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 | 36.9 | Very low | 70.7 | Confident | 235 Ų | 235 | 96 Ų | 96 | 100% | 1.158 | 46% | 0.46 | S | S | * | . | 0 | 101.1 | 0 | -69.2 | -171.4 | -47 | 0 | 0 | 105.5 | E3 | M1-E3 PolarHBondContact O-N 3.33Š| |||
| 2 | E | 45.1 | Very low | 72.1 | Confident | 197 Ų | 197 | 90 Ų | 90 | 92% | 0.921 | 43% | 0.43 | S | S | * | . | trans | -61.6 | 118.7 | 162 | -75.5 | 171.1 | 157.3 | 0 | 0 | 105.3 | E4 | E2-E4 PolarHBondContact O-N 3.01Š| ||
| 3 | E | 52.2 | Low | 73.6 | Confident | 149 Ų | 149 | 87.8 Ų | 87.8 | 70% | 0.696 | 44% | 0.435 | S | S | * | . | trans | -51 | 133.9 | 170 | -83.9 | 176.6 | 148.3 | 0 | 0 | 107.8 | M1 W5 | M1-E3 PolarHBondContact O-N 3.33Å; E3-W5 PolarHBondContact O-N 3.27Å | ||
| 4 | E | 58.7 | Low | 75 | Confident | 129 Ų | 129 | 81.7 Ų | 81.7 | 60% | 0.603 | 41% | 0.405 | S | S | * | . | trans | -62.4 | 74.1 | 180 | -69.4 | 179.8 | 151.4 | 0 | 0 | 110.9 | E2 E6 K7 A10 | E2-E4 PolarHBondContact O-N 3.01Å; E4-E6 PolarHBondContact O-N 3.11Å; E4-E6 VanDerWaalsContact O-N 3.14Å; E4-K7 HydrophobicContact CB-CD 4.41Å; E4-K7 PolarHBondContact O-N 3.38Å; E4-K7 WeakPolarHBondContact OE2-CE 3.49Å; E4-K7 IonicContact OE2-NZ 3.54Å; E4-K7 PolarHBondContact OE2-NZ 3.3Å; E4-A10 WeakPolarHBondContact O-CB 3.48Å | ||
| 5 | W | 69.8 | Low | 76.2 | Confident | 52 Ų | 52 | 76.4 Ų | 76.4 | 20% | 0.197 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.5 | -177.5 | -158.5 | -102 | 0 | 0 | 0 | 112.9 | E3 K7 A10 L14 | E3-W5 PolarHBondContact O-N 3.27Å; W5-K7 PolarHBondContact O-N 3.29Å; W5-A10 HydrophobicContact CE3-CB 4.16Å; W5-A10 WeakPolarHBondContact CH2-O 3.44Å; W5-A10 HydrophobicContact CZ3-CB 4.24Å; W5-L14 HydrophobicContact CH2-CB 3.25Å; W5-L14 HydrophobicContact CH2-CD1 3.35Å; W5-L14 HydrophobicContact CH2-CD2 3.96Å; W5-L14 HydrophobicContact CH2-CG 3.56Å; W5-L14 HydrophobicContact CZ2-CB 3.22Å; W5-L14 HydrophobicContact CZ2-CD1 3.51Å; W5-L14 HydrophobicContact CZ2-CD2 3.19Å; W5-L14 HydrophobicContact CZ2-CG 3.35Å; W5-L14 HydrophobicContact CZ3-CD1 4.31Å |
| 6 | E | 76 | Confident | 77.3 | Confident | 100 Ų | 100 | 79.8 Ų | 79.8 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.7 | 179.6 | -52 | -164.1 | 132.8 | 0 | 0 | 112.7 | E4 R53 L62 T63 | E4-E6 PolarHBondContact O-N 3.11Å; E4-E6 VanDerWaalsContact O-N 3.14Å; E6-R53 IonicContact OE1-CZ 2.82Å; E6-R53 IonicContact OE1-NE 2.92Å; E6-R53 IonicContact OE1-NH2 3.89Å; E6-R53 PolarHBondContact OE1-NH2 3.16Å; E6-L62 CarbonylContact O-C 3.43Å; E6-T63 PolarHBondContact O-N 2.73Å |
| 7 | K | 87.6 | Confident | 78.4 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -83.2 | 142.1 | -178.5 | -70.7 | -178.7 | 172.9 | 170.5 | 0 | 111.8 | E4 W5 D9 A10 F11 T63 | E4-K7 HydrophobicContact CB-CD 4.41Å; E4-K7 PolarHBondContact O-N 3.38Å; E4-K7 WeakPolarHBondContact OE2-CE 3.49Å; E4-K7 IonicContact OE2-NZ 3.54Å; E4-K7 PolarHBondContact OE2-NZ 3.3Å; W5-K7 PolarHBondContact O-N 3.29Å; K7-D9 VanDerWaalsContact C-N 3.25Å; K7-D9 PolarHBondContact O-N 3.39Å; K7-A10 HydrophobicContact CB-CB 4.36Å; K7-A10 WeakPolarHBondContact O-CB 3.3Å; K7-A10 PolarHBondContact O-N 3.26Å; K7-A10 VanDerWaalsContact O-N 3.1Å; K7-F11 PolarHBondContact O-N 2.82Å; K7-F11 VanDerWaalsContact O-N 3.17Å; K7-T63 WeakPolarHBondContact CA-O 2.88Å |
| 8 | V | 85.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 176.4 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | A10 F11 Y12 L62 T63 T64 M70 M256 | V8-A10 VanDerWaalsContact C-N 3.3Å; V8-A10 PolarHBondContact O-N 3.03Å; V8-F11 WeakPolarHBondContact O-CB 3.38Å; V8-F11 PolarHBondContact O-N 2.93Å; V8-F11 VanDerWaalsContact O-N 3.13Å; V8-Y12 HydrophobicContact CG1-CD2 3.77Å; V8-Y12 HydrophobicContact CG1-CE2 3.42Å; V8-Y12 VanDerWaalsContact CG1-CE2 3.42Å; V8-Y12 WeakPolarHBondContact O-CD2 3.29Å; V8-Y12 PolarHBondContact O-N 3.26Å; V8-L62 HydrophobicContact CG1-CD1 4.26Å; V8-L62 HydrophobicContact CG2-CB 3.82Å; V8-T63 PolarHBondContact N-O 3.44Å; V8-T63 VanDerWaalsContact N-O 3.13Å; V8-T64 HydrophobicContact CG2-CG2 4.05Å; V8-M70 HydrophobicContact CG1-SD 3.83Å; V8-M70 HydrophobicContact CG2-CB 4.23Å; V8-M70 HydrophobicContact CG2-SD 4.03Å; V8-M256 HydrophobicContact CB-CE 3.78Å; V8-M256 HydrophobicContact CB-SD 3.76Å; V8-M256 HydrophobicContact CG1-CB 4.47Å; V8-M256 HydrophobicContact CG1-CE 3.69Å; V8-M256 HydrophobicContact CG1-CG 4.34Å; V8-M256 HydrophobicContact CG1-SD 3.16Å; V8-M256 WeakPolarHBondContact CG1-SD 3.32Å; V8-M256 HydrophobicContact CG2-CE 4.3Å |
| 9 | D | 85.4 | Confident | 80.3 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 178 | -72 | -8.5 | 0 | 0 | 0 | 113.2 | K7 Y12 A13 | K7-D9 VanDerWaalsContact C-N 3.25Å; K7-D9 PolarHBondContact O-N 3.39Å; D9-Y12 PolarHBondContact O-N 2.93Å; D9-A13 PolarHBondContact O-N 3.44Å |
| 10 | A | 89.9 | Confident | 81.2 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E4 W5 K7 V8 Y12 A13 L14 | E4-A10 WeakPolarHBondContact O-CB 3.48Å; W5-A10 HydrophobicContact CE3-CB 4.16Å; W5-A10 WeakPolarHBondContact CH2-O 3.44Å; W5-A10 HydrophobicContact CZ3-CB 4.24Å; K7-A10 HydrophobicContact CB-CB 4.36Å; K7-A10 WeakPolarHBondContact O-CB 3.3Å; K7-A10 PolarHBondContact O-N 3.26Å; K7-A10 VanDerWaalsContact O-N 3.1Å; V8-A10 VanDerWaalsContact C-N 3.3Å; V8-A10 PolarHBondContact O-N 3.03Å; A10-Y12 VanDerWaalsContact C-N 3.29Å; A10-Y12 PolarHBondContact O-N 3.41Å; A10-A13 WeakPolarHBondContact O-CB 3.36Å; A10-A13 PolarHBondContact O-N 3.31Å; A10-L14 PolarHBondContact O-N 2.94Å |
| 11 | F | 90.9 | Very high | 82 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 174.6 | -175.5 | -101.7 | 0 | 0 | 0 | 111.8 | K7 V8 L14 M15 I50 V60 L62 L72 V74 T155 | K7-F11 PolarHBondContact O-N 2.82Å; K7-F11 VanDerWaalsContact O-N 3.17Å; V8-F11 WeakPolarHBondContact O-CB 3.38Å; V8-F11 PolarHBondContact O-N 2.93Å; V8-F11 VanDerWaalsContact O-N 3.13Å; F11-L14 WeakPolarHBondContact O-CA 3.43Å; F11-L14 WeakPolarHBondContact O-CB 3.37Å; F11-L14 PolarHBondContact O-N 3.1Å; F11-L14 VanDerWaalsContact O-N 3.1Å; F11-M15 HydrophobicContact CD1-CG 4.15Å; F11-M15 HydrophobicContact CE1-CG 3.79Å; F11-M15 HydrophobicContact CE1-SD 4.23Å; F11-M15 HydrophobicContact CE2-SD 4.46Å; F11-M15 HydrophobicContact CZ-CG 4.12Å; F11-M15 HydrophobicContact CZ-SD 3.95Å; F11-M15 WeakPolarHBondContact O-CG 3.42Å; F11-M15 PolarHBondContact O-N 3.11Å; F11-I50 HydrophobicContact CE2-CD1 3.89Å; F11-I50 HydrophobicContact CE2-CG1 3.97Å; F11-I50 HydrophobicContact CZ-CD1 4.28Å; F11-V60 HydrophobicContact CE2-CG2 4.49Å; F11-L62 HydrophobicContact CB-CD1 3.59Å; F11-L62 HydrophobicContact CB-CD2 4.13Å; F11-L62 HydrophobicContact CD1-CD1 3.83Å; F11-L62 HydrophobicContact CD2-CD1 4.26Å; F11-L62 HydrophobicContact CD2-CD2 4.4Å; F11-L62 HydrophobicContact CG-CD1 3.63Å; F11-L62 HydrophobicContact CG-CD2 4.39Å; F11-L72 HydrophobicContact CD1-CD1 3.84Å; F11-L72 HydrophobicContact CE1-CD1 3.7Å; F11-V74 HydrophobicContact CE2-CG1 4.29Å; F11-V74 HydrophobicContact CZ-CG1 3.69Å; F11-T155 HydrophobicContact CD1-CG2 4.18Å; F11-T155 HydrophobicContact CE1-CG2 3.71Å |
| 12 | Y | 87.6 | Confident | 84.9 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 179.1 | -82 | -124 | 0 | 0 | 0 | 112.2 | V8 D9 A10 L14 M15 Y16 N152 R154 T155 M256 | V8-Y12 HydrophobicContact CG1-CD2 3.77Å; V8-Y12 HydrophobicContact CG1-CE2 3.42Å; V8-Y12 VanDerWaalsContact CG1-CE2 3.42Å; V8-Y12 WeakPolarHBondContact O-CD2 3.29Å; V8-Y12 PolarHBondContact O-N 3.26Å; D9-Y12 PolarHBondContact O-N 2.93Å; A10-Y12 VanDerWaalsContact C-N 3.29Å; A10-Y12 PolarHBondContact O-N 3.41Å; Y12-L14 PolarHBondContact O-N 3.32Å; Y12-M15 PolarHBondContact O-N 3.37Å; Y12-Y16 PolarHBondContact O-N 3.04Å; Y12-N152 VanDerWaalsContact OH-CG 3.31Å; Y12-N152 PolarHBondContact OH-ND2 3.28Å; Y12-N152 PolarHBondContact OH-OD1 3.31Å; Y12-N152 VanDerWaalsContact OH-OD1 3.13Å; Y12-R154 HydrophobicContact CD1-CB 3.88Å; Y12-R154 HydrophobicContact CE1-CB 3.2Å; Y12-R154 HydrophobicContact CE1-CG 3.89Å; Y12-T155 HydrophobicContact CD2-CG2 4.47Å; Y12-T155 HydrophobicContact CE1-CG2 4.48Å; Y12-T155 HydrophobicContact CE2-CG2 4.02Å; Y12-M256 HydrophobicContact CD2-SD 4.37Å; Y12-M256 HydrophobicContact CE1-CB 4.43Å; Y12-M256 HydrophobicContact CE1-CG 3.84Å; Y12-M256 HydrophobicContact CE1-SD 4.36Å; Y12-M256 HydrophobicContact CE2-CB 4.48Å; Y12-M256 HydrophobicContact CE2-CG 4.23Å; Y12-M256 HydrophobicContact CE2-SD 4.05Å; Y12-M256 VanDerWaalsContact OH-CB 3.31Å; Y12-M256 WeakPolarHBondContact OH-CB 3.42Å; Y12-M256 PolarHBondContact OH-O 3.07Å |
| 13 | A | 91.1 | Very high | 87.4 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 50% | 0.504 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.7 | -35.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D9 A10 R17 | D9-A13 PolarHBondContact O-N 3.44Å; A10-A13 WeakPolarHBondContact O-CB 3.36Å; A10-A13 PolarHBondContact O-N 3.31Å; A13-R17 PolarHBondContact O-N 3.18Å |
| 14 | L | 93.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 171.1 | -153 | 55.7 | 0 | 0 | 0 | 112.5 | W5 A10 F11 Y12 Y16 R17 L18 V46 K49 I50 | W5-L14 HydrophobicContact CH2-CB 3.25Å; W5-L14 HydrophobicContact CH2-CD1 3.35Å; W5-L14 HydrophobicContact CH2-CD2 3.96Å; W5-L14 HydrophobicContact CH2-CG 3.56Å; W5-L14 HydrophobicContact CZ2-CB 3.22Å; W5-L14 HydrophobicContact CZ2-CD1 3.51Å; W5-L14 HydrophobicContact CZ2-CD2 3.19Å; W5-L14 HydrophobicContact CZ2-CG 3.35Å; W5-L14 HydrophobicContact CZ3-CD1 4.31Å; A10-L14 PolarHBondContact O-N 2.94Å; F11-L14 WeakPolarHBondContact O-CA 3.43Å; F11-L14 WeakPolarHBondContact O-CB 3.37Å; F11-L14 PolarHBondContact O-N 3.1Å; F11-L14 VanDerWaalsContact O-N 3.1Å; Y12-L14 PolarHBondContact O-N 3.32Å; L14-Y16 PolarHBondContact O-N 3.43Å; L14-R17 CarbonylContact O-C 3.49Å; L14-R17 WeakPolarHBondContact O-CA 3.05Å; L14-R17 WeakPolarHBondContact O-CB 3.43Å; L14-R17 PolarHBondContact O-N 3.18Å; L14-R17 VanDerWaalsContact O-N 3.08Å; L14-L18 PolarHBondContact O-N 2.97Å; L14-V46 HydrophobicContact CD1-CB 4.4Å; L14-V46 HydrophobicContact CD1-CG1 4.4Å; L14-V46 HydrophobicContact CD1-CG2 3.84Å; L14-V46 HydrophobicContact CD2-CB 4.49Å; L14-V46 HydrophobicContact CD2-CG1 3.86Å; L14-V46 HydrophobicContact CG-CB 4.45Å; L14-V46 HydrophobicContact CG-CG1 3.92Å; L14-V46 HydrophobicContact CG-CG2 4.19Å; L14-K49 HydrophobicContact CD1-CD 3.97Å; L14-K49 HydrophobicContact CD2-CB 4.24Å; L14-I50 HydrophobicContact CD2-CD1 4.08Å; L14-I50 HydrophobicContact CD2-CG1 3.73Å |
| 15 | M | 93.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.3 | -35.1 | -175.7 | -63.3 | -48.6 | -63.3 | 0 | 0 | 110.1 | F11 Y12 L18 C19 I50 E77 T155 V157 | F11-M15 HydrophobicContact CD1-CG 4.15Å; F11-M15 HydrophobicContact CE1-CG 3.79Å; F11-M15 HydrophobicContact CE1-SD 4.23Å; F11-M15 HydrophobicContact CE2-SD 4.46Å; F11-M15 HydrophobicContact CZ-CG 4.12Å; F11-M15 HydrophobicContact CZ-SD 3.95Å; F11-M15 WeakPolarHBondContact O-CG 3.42Å; F11-M15 PolarHBondContact O-N 3.11Å; Y12-M15 PolarHBondContact O-N 3.37Å; M15-L18 HydrophobicContact CE-CD2 3.66Å; M15-L18 WeakPolarHBondContact O-CB 3.34Å; M15-L18 PolarHBondContact O-N 2.62Å; M15-L18 HydrophobicContact SD-CD2 4.37Å; M15-C19 PolarHBondContact O-N 3.36Å; M15-I50 HydrophobicContact SD-CD1 4.07Å; M15-E77 HydrophobicContact CE-CB 4.12Å; M15-E77 HydrophobicContact CE-CG 3.45Å; M15-E77 VanDerWaalsContact CE-CG 3.45Å; M15-T155 VanDerWaalsContact CE-O 3.28Å; M15-T155 WeakPolarHBondContact CE-O 3.5Å; M15-T155 HydrophobicContact CG-CG2 4.18Å; M15-V157 HydrophobicContact CB-CG2 4.48Å; M15-V157 HydrophobicContact CE-CG2 4.42Å |
| 16 | Y | 93.6 | Very high | 92.7 | Very high | 131 Ų | 131 | 37.1 Ų | 37.1 | 51% | 0.514 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.3 | -45 | 169.6 | -176.8 | -103.6 | 0 | 0 | 0 | 112.3 | Y12 L14 L18 C19 Q20 | Y12-Y16 PolarHBondContact O-N 3.04Å; L14-Y16 PolarHBondContact O-N 3.43Å; Y16-L18 VanDerWaalsContact C-N 3.32Å; Y16-L18 PolarHBondContact O-N 2.8Å; Y16-C19 WeakPolarHBondContact O-CB 3.44Å; Y16-C19 PolarHBondContact O-N 3.28Å; Y16-Q20 HydrophobicContact CD1-CG 4.36Å; Y16-Q20 HydrophobicContact CE1-CG 3.91Å; Y16-Q20 PolarHBondContact O-N 3.5Å |
| 17 | R | 95.5 | Very high | 93.6 | Very high | 95 Ų | 95 | 33.2 Ų | 33.2 | 36% | 0.358 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 173.4 | 179.2 | -180 | 170.9 | -163 | -9.4 | 111.6 | A13 L14 C19 Q20 C21 C42 E45 | A13-R17 PolarHBondContact O-N 3.18Å; L14-R17 CarbonylContact O-C 3.49Å; L14-R17 WeakPolarHBondContact O-CA 3.05Å; L14-R17 WeakPolarHBondContact O-CB 3.43Å; L14-R17 PolarHBondContact O-N 3.18Å; L14-R17 VanDerWaalsContact O-N 3.08Å; R17-C19 VanDerWaalsContact C-N 3.34Å; R17-C19 PolarHBondContact O-N 2.67Å; R17-Q20 PolarHBondContact O-N 3.13Å; R17-C21 WeakPolarHBondContact O-CB 3.32Å; R17-C21 PolarHBondContact O-N 3.41Å; R17-C42 PolarHBondContact NE-SG 2.7Å; R17-C42 VanDerWaalsContact NE-SG 3.42Å; R17-C42 PolarHBondContact NH2-SG 3.01Å; R17-E45 IonicContact CZ-OE2 2.65Å; R17-E45 IonicContact NH1-OE2 2.71Å; R17-E45 IonicContact NH2-OE2 3.57Å; R17-E45 PolarHBondContact NH2-OE2 3.43Å |
| 18 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 174.8 | 176.2 | 61 | 0 | 0 | 0 | 111.3 | L14 M15 Y16 Q20 C21 R22 L43 V46 M81 | L14-L18 PolarHBondContact O-N 2.97Å; M15-L18 HydrophobicContact CE-CD2 3.66Å; M15-L18 WeakPolarHBondContact O-CB 3.34Å; M15-L18 PolarHBondContact O-N 2.62Å; M15-L18 HydrophobicContact SD-CD2 4.37Å; Y16-L18 VanDerWaalsContact C-N 3.32Å; Y16-L18 PolarHBondContact O-N 2.8Å; L18-Q20 PolarHBondContact O-N 3.09Å; L18-C21 WeakPolarHBondContact O-CB 3.07Å; L18-C21 PolarHBondContact O-N 2.93Å; L18-R22 HydrophobicContact CD1-CG 4.18Å; L18-R22 WeakPolarHBondContact O-CG 3.35Å; L18-R22 PolarHBondContact O-N 3.45Å; L18-L43 HydrophobicContact CD1-CD2 3.48Å; L18-L43 VanDerWaalsContact CD1-CD2 3.48Å; L18-V46 HydrophobicContact CB-CG1 4.14Å; L18-V46 HydrophobicContact CD1-CG1 4.27Å; L18-V46 HydrophobicContact CD2-CG1 4.29Å; L18-V46 HydrophobicContact CG-CG1 4.46Å; L18-M81 HydrophobicContact CD1-CG 3.87Å; L18-M81 HydrophobicContact CD1-SD 3.96Å; L18-M81 HydrophobicContact CD2-CG 4.09Å; L18-M81 HydrophobicContact CD2-SD 4Å |
| 19 | C | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 176.2 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | M15 Y16 R17 C21 R22 R23 V157 N192 I194 | M15-C19 PolarHBondContact O-N 3.36Å; Y16-C19 WeakPolarHBondContact O-CB 3.44Å; Y16-C19 PolarHBondContact O-N 3.28Å; R17-C19 VanDerWaalsContact C-N 3.34Å; R17-C19 PolarHBondContact O-N 2.67Å; C19-C21 VanDerWaalsContact C-N 3.35Å; C19-C21 PolarHBondContact O-N 3.07Å; C19-R22 PolarHBondContact O-N 3.35Å; C19-R23 WeakPolarHBondContact O-CB 3.37Å; C19-R23 PolarHBondContact O-N 2.9Å; C19-V157 HydrophobicContact CB-CB 4.45Å; C19-V157 HydrophobicContact CB-CG1 3.52Å; C19-V157 HydrophobicContact CB-CG2 4Å; C19-N192 PolarHBondContact SG-O 2.96Å; C19-I194 PolarHBondContact SG-O 2.89Å; C19-I194 VanDerWaalsContact SG-O 3.41Å |
| 20 | Q | 97.1 | Very high | 94.8 | Very high | 54 Ų | 54 | 28.9 Ų | 28.9 | 25% | 0.252 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 176.9 | -62.3 | -43.7 | -52.8 | 0 | 0 | 112.6 | Y16 R17 L18 R23 S24 | Y16-Q20 HydrophobicContact CD1-CG 4.36Å; Y16-Q20 HydrophobicContact CE1-CG 3.91Å; Y16-Q20 PolarHBondContact O-N 3.5Å; R17-Q20 PolarHBondContact O-N 3.13Å; L18-Q20 PolarHBondContact O-N 3.09Å; Q20-R23 VanDerWaalsContact NE2-NH1 3.14Å; Q20-R23 PolarHBondContact O-N 3.37Å; Q20-R23 VanDerWaalsContact OE1-NH1 3.12Å; Q20-S24 PolarHBondContact O-N 3.49Å; Q20-S24 PolarHBondContact O-OG 3.23Å |
| 21 | C | 97.9 | Very high | 95 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -52.4 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | R17 L18 C19 R23 S24 I25 L39 C42 | R17-C21 WeakPolarHBondContact O-CB 3.32Å; R17-C21 PolarHBondContact O-N 3.41Å; L18-C21 WeakPolarHBondContact O-CB 3.07Å; L18-C21 PolarHBondContact O-N 2.93Å; C19-C21 VanDerWaalsContact C-N 3.35Å; C19-C21 PolarHBondContact O-N 3.07Å; C21-R23 VanDerWaalsContact C-N 3.3Å; C21-R23 PolarHBondContact O-N 3.04Å; C21-S24 WeakPolarHBondContact O-CB 3.47Å; C21-S24 PolarHBondContact O-N 2.84Å; C21-S24 VanDerWaalsContact O-N 3.1Å; C21-I25 WeakPolarHBondContact O-CG1 3.48Å; C21-I25 PolarHBondContact O-N 3.21Å; C21-L39 PolarHBondContact SG-O 2.86Å; C21-C42 HydrophobicContact CB-CB 4.43Å; C21-C42 VanDerWaalsContact SG-CB 3.58Å |
| 22 | R | 98.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.2 | -71 | 179.1 | 167.7 | 163.4 | -6.3 | 112.1 | L18 C19 S24 I25 V26 L43 G80 D84 V157 Q158 A160 A195 | L18-R22 HydrophobicContact CD1-CG 4.18Å; L18-R22 WeakPolarHBondContact O-CG 3.35Å; L18-R22 PolarHBondContact O-N 3.45Å; C19-R22 PolarHBondContact O-N 3.35Å; R22-S24 VanDerWaalsContact C-N 3.31Å; R22-S24 PolarHBondContact O-N 2.87Å; R22-I25 WeakPolarHBondContact O-CB 3.29Å; R22-I25 PolarHBondContact O-N 2.89Å; R22-V26 VanDerWaalsContact O-CG2 3.23Å; R22-V26 WeakPolarHBondContact O-CG2 3.31Å; R22-V26 PolarHBondContact O-N 3.07Å; R22-L43 HydrophobicContact CG-CD2 4.15Å; R22-G80 VanDerWaalsContact NH2-C 3.26Å; R22-D84 IonicContact CZ-OD2 3.76Å; R22-D84 VanDerWaalsContact CZ-OD2 3.22Å; R22-D84 IonicContact NE-OD2 3.72Å; R22-D84 PolarHBondContact NE-OD2 3.12Å; R22-D84 IonicContact NH2-OD2 2.68Å; R22-D84 PolarHBondContact NH2-OD2 3.26Å; R22-D84 VanDerWaalsContact NH2-OD2 3.11Å; R22-V157 PolarHBondContact NH1-O 3.1Å; R22-Q158 WeakPolarHBondContact CD-O 3.41Å; R22-Q158 PolarHBondContact NH1-O 2.93Å; R22-A160 HydrophobicContact CB-CB 4.12Å; R22-A160 HydrophobicContact CG-CB 4.17Å; R22-A195 HydrophobicContact CB-CB 3.65Å |
| 23 | R | 97.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.8 | -171.4 | 178.2 | -64.2 | 159.1 | -7.7 | 112.7 | C19 Q20 C21 V26 A27 L191 I194 A195 P197 | C19-R23 WeakPolarHBondContact O-CB 3.37Å; C19-R23 PolarHBondContact O-N 2.9Å; Q20-R23 VanDerWaalsContact NE2-NH1 3.14Å; Q20-R23 PolarHBondContact O-N 3.37Å; Q20-R23 VanDerWaalsContact OE1-NH1 3.12Å; C21-R23 VanDerWaalsContact C-N 3.3Å; C21-R23 PolarHBondContact O-N 3.04Å; R23-V26 PolarHBondContact O-N 3.33Å; R23-A27 WeakPolarHBondContact O-CB 3.46Å; R23-A27 PolarHBondContact O-N 3.15Å; R23-L191 PolarHBondContact NH2-O 3.05Å; R23-L191 VanDerWaalsContact NH2-O 3.16Å; R23-I194 PolarHBondContact NE-O 3.47Å; R23-I194 PolarHBondContact NH2-O 3.35Å; R23-A195 VanDerWaalsContact CA-O 3.29Å; R23-A195 WeakPolarHBondContact CA-O 3.21Å; R23-P197 HydrophobicContact CG-CB 4.37Å |
| 24 | S | 97.5 | Very high | 95.1 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | Q20 C21 R22 A27 S28 | Q20-S24 PolarHBondContact O-N 3.49Å; Q20-S24 PolarHBondContact O-OG 3.23Å; C21-S24 WeakPolarHBondContact O-CB 3.47Å; C21-S24 PolarHBondContact O-N 2.84Å; C21-S24 VanDerWaalsContact O-N 3.1Å; R22-S24 VanDerWaalsContact C-N 3.31Å; R22-S24 PolarHBondContact O-N 2.87Å; S24-A27 PolarHBondContact O-N 3.4Å; S24-S28 PolarHBondContact O-N 2.99Å; S24-S28 PolarHBondContact O-OG 3.5Å |
| 25 | I | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -52 | 172.1 | -67.5 | 170.9 | 0 | 0 | 0 | 109.8 | C21 R22 A27 S28 L29 V35 L39 L43 T88 A160 | C21-I25 WeakPolarHBondContact O-CG1 3.48Å; C21-I25 PolarHBondContact O-N 3.21Å; R22-I25 WeakPolarHBondContact O-CB 3.29Å; R22-I25 PolarHBondContact O-N 2.89Å; I25-A27 PolarHBondContact O-N 2.82Å; I25-S28 PolarHBondContact O-N 2.98Å; I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 WeakPolarHBondContact O-CG 3.18Å; I25-L29 PolarHBondContact O-N 3.01Å; I25-V35 HydrophobicContact CB-CG1 4.44Å; I25-V35 HydrophobicContact CG1-CG1 3.88Å; I25-V35 HydrophobicContact CG2-CG1 4.2Å; I25-V35 HydrophobicContact CG2-CG2 3.96Å; I25-L39 HydrophobicContact CD1-CB 4.28Å; I25-L39 HydrophobicContact CG1-CB 3.78Å; I25-L39 HydrophobicContact CG1-CD1 3.93Å; I25-L39 HydrophobicContact CG1-CG 4.4Å; I25-L43 HydrophobicContact CD1-CD1 3.64Å; I25-L43 HydrophobicContact CD1-CD2 4.32Å; I25-L43 HydrophobicContact CD1-CG 4.03Å; I25-T88 HydrophobicContact CD1-CG2 4.3Å; I25-T88 HydrophobicContact CG2-CG2 3.85Å; I25-A160 HydrophobicContact CG2-CB 4.21Å |
| 26 | V | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | R22 R23 S28 L29 L30 A160 A163 A195 P197 | R22-V26 VanDerWaalsContact O-CG2 3.23Å; R22-V26 WeakPolarHBondContact O-CG2 3.31Å; R22-V26 PolarHBondContact O-N 3.07Å; R23-V26 PolarHBondContact O-N 3.33Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.23Å; V26-L29 PolarHBondContact O-N 3.23Å; V26-L30 HydrophobicContact CG1-CD1 3.86Å; V26-L30 HydrophobicContact CG1-CG 4.06Å; V26-L30 WeakPolarHBondContact O-CB 3.41Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.44Å; V26-L30 PolarHBondContact O-N 3.47Å; V26-A160 HydrophobicContact CG2-CB 4.13Å; V26-A160 WeakPolarHBondContact CG2-O 3.08Å; V26-A163 HydrophobicContact CG1-CB 4.29Å; V26-A163 HydrophobicContact CG2-CB 3.59Å; V26-A195 HydrophobicContact CG2-CB 4.43Å; V26-P197 HydrophobicContact CG1-CG 4.34Å |
| 27 | A | 95.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R23 S24 I25 K31 P197 | R23-A27 WeakPolarHBondContact O-CB 3.46Å; R23-A27 PolarHBondContact O-N 3.15Å; S24-A27 PolarHBondContact O-N 3.4Å; I25-A27 PolarHBondContact O-N 2.82Å; A27-K31 WeakPolarHBondContact O-CG 3.29Å; A27-K31 PolarHBondContact O-N 3.19Å; A27-P197 HydrophobicContact CB-CG 4.42Å |
| 28 | S | 95.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 45 Ų | 45 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -49.3 | 175.8 | -54 | 0 | 0 | 0 | 0 | 110.8 | S24 I25 V26 L30 K31 G32 D33 | S24-S28 PolarHBondContact O-N 2.99Å; S24-S28 PolarHBondContact O-OG 3.5Å; I25-S28 PolarHBondContact O-N 2.98Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.23Å; S28-L30 VanDerWaalsContact C-N 3.35Å; S28-L30 PolarHBondContact O-N 2.82Å; S28-K31 PolarHBondContact O-N 3.05Å; S28-K31 VanDerWaalsContact O-N 3.11Å; S28-G32 PolarHBondContact O-N 3.29Å; S28-D33 PolarHBondContact O-N 3.42Å |
| 29 | L | 94.2 | Very high | 95.3 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | 178 | -67.7 | 173.7 | 0 | 0 | 0 | 112.5 | I25 V26 K31 G32 V35 F87 M91 Y164 I420 | I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 WeakPolarHBondContact O-CG 3.18Å; I25-L29 PolarHBondContact O-N 3.01Å; V26-L29 PolarHBondContact O-N 3.23Å; L29-K31 PolarHBondContact O-N 3.26Å; L29-G32 PolarHBondContact O-N 2.88Å; L29-V35 HydrophobicContact CD1-CG2 4.2Å; L29-V35 HydrophobicContact CD2-CG2 3.63Å; L29-V35 HydrophobicContact CG-CG2 3.7Å; L29-F87 HydrophobicContact CD1-CD1 4.48Å; L29-F87 HydrophobicContact CD1-CE1 3.49Å; L29-F87 VanDerWaalsContact CD1-CE1 3.49Å; L29-F87 HydrophobicContact CD1-CZ 3.94Å; L29-M91 HydrophobicContact CD1-CG 4.43Å; L29-M91 HydrophobicContact CD2-CB 4.08Å; L29-M91 HydrophobicContact CD2-CG 4.42Å; L29-Y164 HydrophobicContact CB-CD2 3.59Å; L29-Y164 HydrophobicContact CB-CE2 3.51Å; L29-Y164 HydrophobicContact CB-CG 4.5Å; L29-Y164 HydrophobicContact CD1-CD2 4.24Å; L29-Y164 HydrophobicContact CD1-CG 4.39Å; L29-I420 WeakPolarHBondContact O-CD1 3.18Å |
| 30 | L | 93.6 | Very high | 95.3 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -24.6 | 177.2 | -70.3 | -179.8 | 0 | 0 | 0 | 112.9 | V26 S28 Y164 A167 I168 P197 | V26-L30 HydrophobicContact CG1-CD1 3.86Å; V26-L30 HydrophobicContact CG1-CG 4.06Å; V26-L30 WeakPolarHBondContact O-CB 3.41Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.44Å; V26-L30 PolarHBondContact O-N 3.47Å; S28-L30 VanDerWaalsContact C-N 3.35Å; S28-L30 PolarHBondContact O-N 2.82Å; L30-Y164 HydrophobicContact CD2-CD2 3.85Å; L30-Y164 HydrophobicContact CD2-CE2 3.96Å; L30-Y164 HydrophobicContact CG-CD2 4.31Å; L30-A167 HydrophobicContact CD1-CB 3.92Å; L30-A167 HydrophobicContact CD2-CB 3.93Å; L30-I168 HydrophobicContact CD2-CD1 3.39Å; L30-I168 HydrophobicContact CD2-CG1 3.82Å; L30-P197 HydrophobicContact CD1-CG 3.67Å |
| 31 | K | 92.9 | Very high | 95.3 | Very high | 138 Ų | 138 | 47.5 Ų | 47.5 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -85.5 | -10.4 | 178.4 | -72.6 | 171.5 | -175.6 | 174.8 | 0 | 114 | A27 S28 L29 D33 | A27-K31 WeakPolarHBondContact O-CG 3.29Å; A27-K31 PolarHBondContact O-N 3.19Å; S28-K31 PolarHBondContact O-N 3.05Å; S28-K31 VanDerWaalsContact O-N 3.11Å; L29-K31 PolarHBondContact O-N 3.26Å; K31-D33 WeakPolarHBondContact CB-OD2 3.47Å |
| 32 | G | 90.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 2.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | S28 L29 I420 | S28-G32 PolarHBondContact O-N 3.29Å; L29-G32 PolarHBondContact O-N 2.88Å; G32-I420 VanDerWaalsContact CA-CD1 3.47Å |
| 33 | D | 91.8 | Very high | 95.2 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 152.5 | -173.9 | -62.3 | -36.2 | 0 | 0 | 0 | 111.4 | S28 K31 | S28-D33 PolarHBondContact O-N 3.42Å; K31-D33 WeakPolarHBondContact CB-OD2 3.47Å |
| 34 | S | 90.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 69% | 0.692 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -68 | 140.3 | 170.2 | 58.9 | 0 | 0 | 0 | 0 | 111 | G36 | S34-G36 PolarHBondContact O-N 3.34Š|
| 35 | V | 94.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 118.2 | 171 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | I25 L29 L39 V40 T88 K92 | I25-V35 HydrophobicContact CB-CG1 4.44Å; I25-V35 HydrophobicContact CG1-CG1 3.88Å; I25-V35 HydrophobicContact CG2-CG1 4.2Å; I25-V35 HydrophobicContact CG2-CG2 3.96Å; L29-V35 HydrophobicContact CD1-CG2 4.2Å; L29-V35 HydrophobicContact CD2-CG2 3.63Å; L29-V35 HydrophobicContact CG-CG2 3.7Å; V35-L39 HydrophobicContact CG1-CB 4.1Å; V35-L39 HydrophobicContact CG1-CD1 4.19Å; V35-V40 HydrophobicContact CG1-CG2 4.22Å; V35-T88 HydrophobicContact CG1-CG2 4.26Å; V35-T88 HydrophobicContact CG2-CG2 4.44Å; V35-K92 WeakPolarHBondContact O-CE 3.39Å; V35-K92 PolarHBondContact O-NZ 2.9Å |
| 36 | G | 93.5 | Very high | 95 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 19% | 0.186 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 144.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S34 E38 L39 | S34-G36 PolarHBondContact O-N 3.34Å; G36-E38 VanDerWaalsContact C-OE2 3.23Å; G36-E38 VanDerWaalsContact CA-OE2 3.31Å; G36-E38 WeakPolarHBondContact CA-OE2 3.38Å; G36-E38 PolarHBondContact O-N 2.95Å; G36-L39 PolarHBondContact O-N 3.48Å |
| 37 | E | 95.4 | Very high | 95 | Very high | 151 Ų | 151 | 52.4 Ų | 52.4 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.1 | -33.5 | -178.9 | -67.9 | -177 | 169 | 0 | 0 | 111.6 | L39 V40 T41 | E37-L39 PolarHBondContact O-N 3.46Å; E37-V40 PolarHBondContact O-N 3.49Å; E37-V40 VanDerWaalsContact O-N 3.09Å; E37-T41 PolarHBondContact O-N 2.95Å; E37-T41 PolarHBondContact O-OG1 3.37Å; E37-T41 VanDerWaalsContact O-OG1 3.13Å |
| 38 | E | 97 | Very high | 95 | Very high | 130 Ų | 130 | 56.2 Ų | 56.2 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.5 | -31.3 | 177 | 71.8 | -71.4 | 171 | 0 | 0 | 113.3 | G36 C42 | G36-E38 VanDerWaalsContact C-OE2 3.23Å; G36-E38 VanDerWaalsContact CA-OE2 3.31Å; G36-E38 WeakPolarHBondContact CA-OE2 3.38Å; G36-E38 PolarHBondContact O-N 2.95Å; E38-C42 WeakPolarHBondContact O-CB 3.4Å; E38-C42 PolarHBondContact O-N 3.2Å |
| 39 | L | 97.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.6 | -39.3 | 176.6 | -64.3 | 177.5 | 0 | 0 | 0 | 111.2 | C21 I25 V35 G36 E37 C42 L43 | C21-L39 PolarHBondContact SG-O 2.86Å; I25-L39 HydrophobicContact CD1-CB 4.28Å; I25-L39 HydrophobicContact CG1-CB 3.78Å; I25-L39 HydrophobicContact CG1-CD1 3.93Å; I25-L39 HydrophobicContact CG1-CG 4.4Å; V35-L39 HydrophobicContact CG1-CB 4.1Å; V35-L39 HydrophobicContact CG1-CD1 4.19Å; G36-L39 PolarHBondContact O-N 3.48Å; E37-L39 PolarHBondContact O-N 3.46Å; L39-C42 WeakPolarHBondContact O-CB 3.34Å; L39-C42 PolarHBondContact O-N 3.34Å; L39-L43 PolarHBondContact O-N 3.05Å; L39-L43 VanDerWaalsContact O-N 3.17Å |
| 40 | V | 96 | Very high | 94.9 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 110 | V35 E37 C42 L43 E44 | V35-V40 HydrophobicContact CG1-CG2 4.22Å; E37-V40 PolarHBondContact O-N 3.49Å; E37-V40 VanDerWaalsContact O-N 3.09Å; V40-C42 VanDerWaalsContact C-N 3.26Å; V40-C42 PolarHBondContact O-N 3.4Å; V40-L43 WeakPolarHBondContact O-CB 3.45Å; V40-L43 PolarHBondContact O-N 3.09Å; V40-E44 PolarHBondContact O-N 3.12Å; V40-E44 VanDerWaalsContact O-N 3.07Å |
| 41 | T | 97.1 | Very high | 94.9 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 37% | 0.368 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | E37 L43 E44 E45 | E37-T41 PolarHBondContact O-N 2.95Å; E37-T41 PolarHBondContact O-OG1 3.37Å; E37-T41 VanDerWaalsContact O-OG1 3.13Å; T41-L43 VanDerWaalsContact C-N 3.35Å; T41-L43 PolarHBondContact O-N 3.03Å; T41-E44 PolarHBondContact O-N 3.48Å; T41-E45 HydrophobicContact CG2-CG 4.25Å; T41-E45 WeakPolarHBondContact O-CB 3.28Å; T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.94Å |
| 42 | C | 97.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | R17 C21 E38 L39 V40 V46 | R17-C42 PolarHBondContact NE-SG 2.7Å; R17-C42 VanDerWaalsContact NE-SG 3.42Å; R17-C42 PolarHBondContact NH2-SG 3.01Å; C21-C42 HydrophobicContact CB-CB 4.43Å; C21-C42 VanDerWaalsContact SG-CB 3.58Å; E38-C42 WeakPolarHBondContact O-CB 3.4Å; E38-C42 PolarHBondContact O-N 3.2Å; L39-C42 WeakPolarHBondContact O-CB 3.34Å; L39-C42 PolarHBondContact O-N 3.34Å; V40-C42 VanDerWaalsContact C-N 3.26Å; V40-C42 PolarHBondContact O-N 3.4Å; C42-V46 WeakPolarHBondContact O-CB 3.43Å; C42-V46 WeakPolarHBondContact O-CG2 3.27Å; C42-V46 PolarHBondContact O-N 3.12Å; C42-V46 VanDerWaalsContact O-N 3.14Å |
| 43 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 173.2 | -63.6 | 179.9 | 0 | 0 | 0 | 111.2 | L18 R22 I25 L39 V40 T41 V46 K47 D84 M85 | L18-L43 HydrophobicContact CD1-CD2 3.48Å; L18-L43 VanDerWaalsContact CD1-CD2 3.48Å; R22-L43 HydrophobicContact CG-CD2 4.15Å; I25-L43 HydrophobicContact CD1-CD1 3.64Å; I25-L43 HydrophobicContact CD1-CD2 4.32Å; I25-L43 HydrophobicContact CD1-CG 4.03Å; L39-L43 PolarHBondContact O-N 3.05Å; L39-L43 VanDerWaalsContact O-N 3.17Å; V40-L43 WeakPolarHBondContact O-CB 3.45Å; V40-L43 PolarHBondContact O-N 3.09Å; T41-L43 VanDerWaalsContact C-N 3.35Å; T41-L43 PolarHBondContact O-N 3.03Å; L43-V46 PolarHBondContact O-N 3.27Å; L43-K47 WeakPolarHBondContact O-CB 3.41Å; L43-K47 PolarHBondContact O-N 2.81Å; L43-D84 HydrophobicContact CD1-CB 3.85Å; L43-M85 HydrophobicContact CB-CG 3.99Å; L43-M85 HydrophobicContact CB-SD 4.44Å; L43-M85 HydrophobicContact CD1-CG 4Å |
| 44 | E | 97.3 | Very high | 94.6 | Very high | 86 Ų | 86 | 57.2 Ų | 57.2 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.8 | -70.2 | 176.8 | 168.4 | 0 | 0 | 112.2 | V40 T41 K47 N48 M85 | V40-E44 PolarHBondContact O-N 3.12Å; V40-E44 VanDerWaalsContact O-N 3.07Å; T41-E44 PolarHBondContact O-N 3.48Å; E44-K47 PolarHBondContact O-N 3.48Å; E44-N48 VanDerWaalsContact O-CB 3.29Å; E44-N48 WeakPolarHBondContact O-CB 3.07Å; E44-N48 PolarHBondContact O-N 3.44Å; E44-N48 PolarHBondContact O-ND2 2.86Å; E44-M85 HydrophobicContact CB-SD 4.44Å; E44-M85 HydrophobicContact CG-SD 3.42Å; E44-M85 WeakPolarHBondContact CG-SD 3.48Å |
| 45 | E | 96.5 | Very high | 94.3 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.3 | -77.4 | 179.7 | 178.8 | 0 | 0 | 111.9 | R17 T41 N48 K49 | R17-E45 IonicContact CZ-OE2 2.65Å; R17-E45 IonicContact NH1-OE2 2.71Å; R17-E45 IonicContact NH2-OE2 3.57Å; R17-E45 PolarHBondContact NH2-OE2 3.43Å; T41-E45 HydrophobicContact CG2-CG 4.25Å; T41-E45 WeakPolarHBondContact O-CB 3.28Å; T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.94Å; E45-N48 PolarHBondContact O-N 3.16Å; E45-K49 WeakPolarHBondContact O-CB 3.3Å; E45-K49 VanDerWaalsContact O-CG 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.26Å; E45-K49 PolarHBondContact O-N 3.02Å |
| 46 | V | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 176.1 | 168.2 | 0 | 0 | 0 | 0 | 109.7 | L14 L18 C42 L43 N48 K49 I50 M81 | L14-V46 HydrophobicContact CD1-CB 4.4Å; L14-V46 HydrophobicContact CD1-CG1 4.4Å; L14-V46 HydrophobicContact CD1-CG2 3.84Å; L14-V46 HydrophobicContact CD2-CB 4.49Å; L14-V46 HydrophobicContact CD2-CG1 3.86Å; L14-V46 HydrophobicContact CG-CB 4.45Å; L14-V46 HydrophobicContact CG-CG1 3.92Å; L14-V46 HydrophobicContact CG-CG2 4.19Å; L18-V46 HydrophobicContact CB-CG1 4.14Å; L18-V46 HydrophobicContact CD1-CG1 4.27Å; L18-V46 HydrophobicContact CD2-CG1 4.29Å; L18-V46 HydrophobicContact CG-CG1 4.46Å; C42-V46 WeakPolarHBondContact O-CB 3.43Å; C42-V46 WeakPolarHBondContact O-CG2 3.27Å; C42-V46 PolarHBondContact O-N 3.12Å; C42-V46 VanDerWaalsContact O-N 3.14Å; L43-V46 PolarHBondContact O-N 3.27Å; V46-N48 PolarHBondContact O-N 3.35Å; V46-K49 PolarHBondContact O-N 3.42Å; V46-I50 HydrophobicContact CG1-CD1 4.35Å; V46-I50 WeakPolarHBondContact O-CG1 3.19Å; V46-I50 PolarHBondContact O-N 3.36Å; V46-I50 VanDerWaalsContact O-N 3.12Å; V46-M81 HydrophobicContact CB-SD 4.04Å; V46-M81 HydrophobicContact CG1-CE 4.31Å; V46-M81 HydrophobicContact CG1-SD 3.46Å; V46-M81 WeakPolarHBondContact CG1-SD 3.34Å |
| 47 | K | 95.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 15% | 0.148 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 178.8 | -178.3 | -174.7 | 173 | -176.4 | 0 | 111.8 | L43 E44 K49 I50 I51 L78 M81 E82 M85 | L43-K47 WeakPolarHBondContact O-CB 3.41Å; L43-K47 PolarHBondContact O-N 2.81Å; E44-K47 PolarHBondContact O-N 3.48Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 2.76Å; K47-I50 PolarHBondContact O-N 2.86Å; K47-I50 VanDerWaalsContact O-N 3.15Å; K47-I51 HydrophobicContact CD-CD1 4.26Å; K47-I51 VanDerWaalsContact CE-CD1 3.49Å; K47-I51 HydrophobicContact CG-CD1 3.81Å; K47-I51 HydrophobicContact CG-CG1 4.38Å; K47-I51 WeakPolarHBondContact O-CG1 3.21Å; K47-I51 PolarHBondContact O-N 2.91Å; K47-L78 HydrophobicContact CG-CD2 3.92Å; K47-M81 HydrophobicContact CB-CB 4.47Å; K47-M81 HydrophobicContact CB-CE 3.95Å; K47-M81 HydrophobicContact CB-SD 3.86Å; K47-M81 HydrophobicContact CG-CE 4.3Å; K47-E82 HydrophobicContact CD-CG 4.32Å; K47-E82 VanDerWaalsContact CE-OE1 3.24Å; K47-E82 WeakPolarHBondContact CE-OE1 3.24Å; K47-E82 IonicContact NZ-OE1 3.61Å; K47-E82 PolarHBondContact NZ-OE1 2.93Å; K47-M85 HydrophobicContact CD-CE 3.54Å |
| 48 | N | 95.7 | Very high | 93.4 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | -178.1 | -71 | -23.5 | 0 | 0 | 0 | 111.9 | E44 E45 V46 I50 I51 A52 | E44-N48 VanDerWaalsContact O-CB 3.29Å; E44-N48 WeakPolarHBondContact O-CB 3.07Å; E44-N48 PolarHBondContact O-N 3.44Å; E44-N48 PolarHBondContact O-ND2 2.86Å; E45-N48 PolarHBondContact O-N 3.16Å; V46-N48 PolarHBondContact O-N 3.35Å; N48-I50 VanDerWaalsContact C-N 3.31Å; N48-I50 PolarHBondContact O-N 3.35Å; N48-I51 PolarHBondContact O-N 2.81Å; N48-A52 WeakPolarHBondContact O-CB 3.19Å; N48-A52 PolarHBondContact O-N 3.36Å |
| 49 | K | 94 | Very high | 93.1 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 32% | 0.317 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 172.7 | -77.7 | -177.7 | 176.8 | -163.7 | 0 | 112.3 | L14 E45 V46 K47 | L14-K49 HydrophobicContact CD1-CD 3.97Å; L14-K49 HydrophobicContact CD2-CB 4.24Å; E45-K49 WeakPolarHBondContact O-CB 3.3Å; E45-K49 VanDerWaalsContact O-CG 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.26Å; E45-K49 PolarHBondContact O-N 3.02Å; V46-K49 PolarHBondContact O-N 3.42Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 2.76Å |
| 50 | I | 93.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71 | -48.3 | 177.7 | -63.3 | -177.2 | 0 | 0 | 0 | 110.8 | F11 L14 M15 V46 K47 N48 A52 R53 I54 V60 V74 L78 M81 | F11-I50 HydrophobicContact CE2-CD1 3.89Å; F11-I50 HydrophobicContact CE2-CG1 3.97Å; F11-I50 HydrophobicContact CZ-CD1 4.28Å; L14-I50 HydrophobicContact CD2-CD1 4.08Å; L14-I50 HydrophobicContact CD2-CG1 3.73Å; M15-I50 HydrophobicContact SD-CD1 4.07Å; V46-I50 HydrophobicContact CG1-CD1 4.35Å; V46-I50 WeakPolarHBondContact O-CG1 3.19Å; V46-I50 PolarHBondContact O-N 3.36Å; V46-I50 VanDerWaalsContact O-N 3.12Å; K47-I50 PolarHBondContact O-N 2.86Å; K47-I50 VanDerWaalsContact O-N 3.15Å; N48-I50 VanDerWaalsContact C-N 3.31Å; N48-I50 PolarHBondContact O-N 3.35Å; I50-A52 VanDerWaalsContact C-N 3.3Å; I50-A52 PolarHBondContact O-N 3.27Å; I50-R53 PolarHBondContact O-N 3.48Å; I50-I54 PolarHBondContact O-N 3.39Å; I50-V60 HydrophobicContact CG2-CG1 4.23Å; I50-V74 HydrophobicContact CG2-CB 4.08Å; I50-V74 HydrophobicContact CG2-CG1 4.4Å; I50-V74 HydrophobicContact CG2-CG2 3.67Å; I50-L78 HydrophobicContact CB-CD2 4.1Å; I50-L78 HydrophobicContact CG2-CD1 4.18Å; I50-L78 HydrophobicContact CG2-CD2 3.86Å; I50-L78 HydrophobicContact CG2-CG 4.13Å; I50-M81 HydrophobicContact CD1-CE 4Å |
| 51 | I | 93.5 | Very high | 92.5 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | -179.4 | -73.5 | 177.3 | 0 | 0 | 0 | 111.9 | K47 N48 R53 I54 L78 | K47-I51 HydrophobicContact CD-CD1 4.26Å; K47-I51 VanDerWaalsContact CE-CD1 3.49Å; K47-I51 HydrophobicContact CG-CD1 3.81Å; K47-I51 HydrophobicContact CG-CG1 4.38Å; K47-I51 WeakPolarHBondContact O-CG1 3.21Å; K47-I51 PolarHBondContact O-N 2.91Å; N48-I51 PolarHBondContact O-N 2.81Å; I51-R53 PolarHBondContact O-N 2.97Å; I51-I54 HydrophobicContact CG1-CD1 4.31Å; I51-I54 PolarHBondContact O-N 3.01Å; I51-I54 VanDerWaalsContact O-N 3.16Å; I51-L78 HydrophobicContact CD1-CD2 4.33Å; I51-L78 HydrophobicContact CG1-CD2 3.77Å |
| 52 | A | 91.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 72% | 0.719 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -13.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N48 I50 | N48-A52 WeakPolarHBondContact O-CB 3.19Å; N48-A52 PolarHBondContact O-N 3.36Å; I50-A52 VanDerWaalsContact C-N 3.3Å; I50-A52 PolarHBondContact O-N 3.27Å |
| 53 | R | 87.2 | Confident | 91.7 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 4.6 | -178.3 | -148.6 | 64.5 | 175.1 | 91.1 | -9.4 | 114.9 | E6 I50 I51 D55 V60 | E6-R53 IonicContact OE1-CZ 2.82Å; E6-R53 IonicContact OE1-NE 2.92Å; E6-R53 IonicContact OE1-NH2 3.89Å; E6-R53 PolarHBondContact OE1-NH2 3.16Å; I50-R53 PolarHBondContact O-N 3.48Å; I51-R53 PolarHBondContact O-N 2.97Å; R53-D55 IonicContact NH1-OD1 2.69Å; R53-D55 PolarHBondContact O-N 2.88Å; R53-V60 HydrophobicContact CB-CG1 4.43Å |
| 54 | I | 91.1 | Very high | 91.1 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.256 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 118.9 | 175.2 | -63.1 | 173.9 | 0 | 0 | 0 | 108.5 | I50 I51 F58 V59 V60 V74 L78 | I50-I54 PolarHBondContact O-N 3.39Å; I51-I54 HydrophobicContact CG1-CD1 4.31Å; I51-I54 PolarHBondContact O-N 3.01Å; I51-I54 VanDerWaalsContact O-N 3.16Å; I54-F58 HydrophobicContact CD1-CD1 4.45Å; I54-V59 WeakPolarHBondContact CA-O 3.26Å; I54-V60 HydrophobicContact CG1-CG1 4.11Å; I54-V74 HydrophobicContact CG1-CG2 4.47Å; I54-L78 HydrophobicContact CD1-CD1 3.53Å |
| 55 | D | 82.6 | Confident | 90.4 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -47.8 | 176.9 | -61.1 | -45.4 | 0 | 0 | 0 | 110.3 | R53 V59 T61 | R53-D55 IonicContact NH1-OD1 2.69Å; R53-D55 PolarHBondContact O-N 2.88Å; D55-V59 PolarHBondContact N-O 2.87Å; D55-T61 WeakPolarHBondContact OD2-CB 3.5Å; D55-T61 PolarHBondContact OD2-N 2.86Å; D55-T61 PolarHBondContact OD2-OG1 2.86Å |
| 56 | S | 84.6 | Confident | 89.7 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 152.5 | 173.1 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | F58 V59 | S56-F58 VanDerWaalsContact C-N 3.31Å; S56-F58 PolarHBondContact O-N 2.97Å; S56-F58 VanDerWaalsContact O-N 3.15Å; S56-V59 VanDerWaalsContact O-CB 3.31Å; S56-V59 WeakPolarHBondContact O-CB 3.4Å; S56-V59 PolarHBondContact O-N 2.94Å |
| 57 | G | 87.2 | Confident | 89.2 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 62% | 0.619 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 35.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | V59 | G57-V59 PolarHBondContact O-N 3.33Š|
| 58 | F | 91.7 | Very high | 88.6 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 20.7 | -173.6 | -54.5 | -85.8 | 0 | 0 | 0 | 115 | I54 S56 N73 V74 R75 L78 | I54-F58 HydrophobicContact CD1-CD1 4.45Å; S56-F58 VanDerWaalsContact C-N 3.31Å; S56-F58 PolarHBondContact O-N 2.97Å; S56-F58 VanDerWaalsContact O-N 3.15Å; F58-N73 WeakPolarHBondContact O-CA 3.34Å; F58-V74 WeakPolarHBondContact O-CG2 3.5Å; F58-V74 PolarHBondContact O-N 2.86Å; F58-R75 HydrophobicContact CB-CB 3.78Å; F58-R75 HydrophobicContact CD1-CB 4.21Å; F58-R75 HydrophobicContact CD1-CG 4.32Å; F58-R75 HydrophobicContact CD2-CB 4.14Å; F58-R75 HydrophobicContact CD2-CG 4.03Å; F58-R75 HydrophobicContact CE2-CG 4.26Å; F58-R75 HydrophobicContact CG-CB 3.8Å; F58-R75 HydrophobicContact CG-CG 4.06Å; F58-R75 HydrophobicContact CZ-CG 4.49Å; F58-L78 HydrophobicContact CD1-CD1 3.77Å; F58-L78 HydrophobicContact CE1-CD1 4.37Å |
| 59 | V | 91.1 | Very high | 88.1 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.2 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | I54 D55 S56 G57 R71 L72 | I54-V59 WeakPolarHBondContact CA-O 3.26Å; D55-V59 PolarHBondContact N-O 2.87Å; S56-V59 VanDerWaalsContact O-CB 3.31Å; S56-V59 WeakPolarHBondContact O-CB 3.4Å; S56-V59 PolarHBondContact O-N 2.94Å; G57-V59 PolarHBondContact O-N 3.33Å; V59-R71 HydrophobicContact CG1-CB 3.74Å; V59-R71 HydrophobicContact CG1-CG 4.37Å; V59-L72 WeakPolarHBondContact CA-O 3.46Å |
| 60 | V | 90.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.6 | 166.6 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | F11 I50 R53 I54 L62 R71 L72 V74 | F11-V60 HydrophobicContact CE2-CG2 4.49Å; I50-V60 HydrophobicContact CG2-CG1 4.23Å; R53-V60 HydrophobicContact CB-CG1 4.43Å; I54-V60 HydrophobicContact CG1-CG1 4.11Å; V60-L62 HydrophobicContact CG2-CG 4.36Å; V60-R71 VanDerWaalsContact O-CA 3.32Å; V60-R71 WeakPolarHBondContact O-CA 3.33Å; V60-L72 HydrophobicContact CG2-CB 3.95Å; V60-L72 PolarHBondContact N-O 3.03Å; V60-L72 PolarHBondContact O-N 3.4Å; V60-V74 HydrophobicContact CG1-CG1 4.38Å; V60-V74 HydrophobicContact CG1-CG2 3.84Å; V60-V74 HydrophobicContact CG2-CG1 3.68Å |
| 61 | T | 89.8 | Confident | 87.4 | Confident | 39 Ų | 39 | 57 Ų | 57 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.6 | 171.4 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | D55 A69 R71 | D55-T61 WeakPolarHBondContact OD2-CB 3.5Å; D55-T61 PolarHBondContact OD2-N 2.86Å; D55-T61 PolarHBondContact OD2-OG1 2.86Å; T61-A69 HydrophobicContact CG2-CB 3.79Å; T61-R71 HydrophobicContact CG2-CG 4.36Å |
| 62 | L | 88.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 157.6 | 177.3 | -56.4 | 174.5 | 0 | 0 | 0 | 109.9 | E6 V8 F11 V60 A69 M70 L72 | E6-L62 CarbonylContact O-C 3.43Å; V8-L62 HydrophobicContact CG1-CD1 4.26Å; V8-L62 HydrophobicContact CG2-CB 3.82Å; F11-L62 HydrophobicContact CB-CD1 3.59Å; F11-L62 HydrophobicContact CB-CD2 4.13Å; F11-L62 HydrophobicContact CD1-CD1 3.83Å; F11-L62 HydrophobicContact CD2-CD1 4.26Å; F11-L62 HydrophobicContact CD2-CD2 4.4Å; F11-L62 HydrophobicContact CG-CD1 3.63Å; F11-L62 HydrophobicContact CG-CD2 4.39Å; V60-L62 HydrophobicContact CG2-CG 4.36Å; L62-A69 CarbonylContact O-C 3.48Å; L62-A69 WeakPolarHBondContact O-CA 3.33Å; L62-M70 PolarHBondContact N-O 3.43Å; L62-M70 PolarHBondContact O-N 2.88Å; L62-L72 HydrophobicContact CD1-CD1 3.59Å; L62-L72 HydrophobicContact CD1-CG 4.29Å |
| 63 | T | 89.4 | Confident | 86.9 | Confident | 53 Ų | 53 | 53 Ų | 53 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.1 | 178.4 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | E6 K7 V8 R68 | E6-T63 PolarHBondContact O-N 2.73Å; K7-T63 WeakPolarHBondContact CA-O 2.88Å; V8-T63 PolarHBondContact N-O 3.44Å; V8-T63 VanDerWaalsContact N-O 3.13Å; T63-R68 CarbonylContact C-O 3.56Å; T63-R68 WeakPolarHBondContact CA-O 3.32Å |
| 64 | T | 84.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | trans | -75.3 | 166.5 | 172.9 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | V8 S66 G67 R68 M70 R253 | V8-T64 HydrophobicContact CG2-CG2 4.05Å; T64-S66 PolarHBondContact O-N 3.41Å; T64-S66 VanDerWaalsContact O-N 3.1Å; T64-S66 PolarHBondContact OG1-N 2.97Å; T64-S66 PolarHBondContact OG1-OG 3.43Å; T64-G67 WeakPolarHBondContact O-CA 3.35Å; T64-G67 PolarHBondContact O-N 3.25Å; T64-R68 PolarHBondContact N-O 3.49Å; T64-R68 WeakPolarHBondContact OG1-CB 3.21Å; T64-R68 PolarHBondContact OG1-N 3.41Å; T64-R68 VanDerWaalsContact OG1-N 3.12Å; T64-R68 PolarHBondContact OG1-O 3.28Å; T64-M70 HydrophobicContact CG2-CB 4.21Å; T64-M70 HydrophobicContact CG2-CE 4.3Å; T64-R253 HydrophobicContact CG2-CB 3.94Å | ||
| 65 | D | 83.1 | Confident | 87.2 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21 | 175.2 | -64.2 | -32.5 | 0 | 0 | 0 | 114.1 | G67 T249 H252 | D65-G67 PolarHBondContact O-N 2.99Å; D65-T249 HydrophobicContact CB-CG2 4.33Å; D65-H252 IonicContact OD2-CE1 3.22Å; D65-H252 IonicContact OD2-CG 2.65Å; D65-H252 IonicContact OD2-ND1 3.11Å; D65-H252 PolarHBondContact OD2-ND1 2.99Å |
| 66 | S | 82.2 | Confident | 87.6 | Confident | 37 Ų | 37 | 51 Ų | 51 | 26% | 0.259 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 1.1 | 171.2 | 30.3 | 0 | 0 | 0 | 0 | 113.8 | T64 R68 T249 | T64-S66 PolarHBondContact O-N 3.41Å; T64-S66 VanDerWaalsContact O-N 3.1Å; T64-S66 PolarHBondContact OG1-N 2.97Å; T64-S66 PolarHBondContact OG1-OG 3.43Å; S66-R68 VanDerWaalsContact C-N 3.27Å; S66-R68 PolarHBondContact O-N 2.73Å; S66-T249 VanDerWaalsContact CB-O 3.28Å; S66-T249 WeakPolarHBondContact CB-O 3.46Å; S66-T249 PolarHBondContact OG-O 3.01Å |
| 67 | G | 83.9 | Confident | 88 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 60% | 0.598 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 75.2 | 11.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T64 D65 | T64-G67 WeakPolarHBondContact O-CA 3.35Å; T64-G67 PolarHBondContact O-N 3.25Å; D65-G67 PolarHBondContact O-N 2.99Å |
| 68 | R | 83.4 | Confident | 88.3 | Confident | 101 Ų | 101 | 44.7 Ų | 44.7 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | trans | -88.9 | 150.4 | 179.9 | -66.3 | -175 | 173.5 | 148.4 | 5.2 | 110.8 | T63 T64 S66 E283 | T63-R68 CarbonylContact C-O 3.56Å; T63-R68 WeakPolarHBondContact CA-O 3.32Å; T64-R68 PolarHBondContact N-O 3.49Å; T64-R68 WeakPolarHBondContact OG1-CB 3.21Å; T64-R68 PolarHBondContact OG1-N 3.41Å; T64-R68 VanDerWaalsContact OG1-N 3.12Å; T64-R68 PolarHBondContact OG1-O 3.28Å; S66-R68 VanDerWaalsContact C-N 3.27Å; S66-R68 PolarHBondContact O-N 2.73Å; R68-E283 VanDerWaalsContact CD-OE1 3.3Å; R68-E283 WeakPolarHBondContact CD-OE1 3.46Å; R68-E283 IonicContact CZ-OE1 2.67Å; R68-E283 IonicContact NE-OE1 3.15Å; R68-E283 VanDerWaalsContact NH1-CD 3.27Å; R68-E283 VanDerWaalsContact NH1-CG 3.32Å; R68-E283 IonicContact NH1-OE1 3.89Å; R68-E283 PolarHBondContact NH1-OE1 3.47Å | ||
| 69 | A | 86.5 | Confident | 88.5 | Confident | 60 Ų | 60 | 42.5 Ų | 42.5 | 50% | 0.496 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 139.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T61 L62 | T61-A69 HydrophobicContact CG2-CB 3.79Å; L62-A69 CarbonylContact O-C 3.48Å; L62-A69 WeakPolarHBondContact O-CA 3.33Å |
| 70 | M | 85.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.2 | 167.5 | 175.7 | 178 | -71.6 | 0 | 0 | 107.6 | V8 L62 T64 L72 R253 M256 | V8-M70 HydrophobicContact CG1-SD 3.83Å; V8-M70 HydrophobicContact CG2-CB 4.23Å; V8-M70 HydrophobicContact CG2-SD 4.03Å; L62-M70 PolarHBondContact N-O 3.43Å; L62-M70 PolarHBondContact O-N 2.88Å; T64-M70 HydrophobicContact CG2-CB 4.21Å; T64-M70 HydrophobicContact CG2-CE 4.3Å; M70-L72 HydrophobicContact CG-CD2 4.25Å; M70-L72 HydrophobicContact SD-CD2 4.32Å; M70-R253 HydrophobicContact CE-CB 3.87Å; M70-M256 HydrophobicContact CE-CB 3.97Å; M70-M256 HydrophobicContact SD-CB 4.21Å |
| 71 | R | 87.2 | Confident | 88.9 | Confident | 123 Ų | 123 | 40.9 Ų | 40.9 | 46% | 0.464 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.6 | -179.9 | -52.7 | 176.5 | -60.5 | -169 | -0.8 | 109.9 | V59 V60 T61 E278 | V59-R71 HydrophobicContact CG1-CB 3.74Å; V59-R71 HydrophobicContact CG1-CG 4.37Å; V60-R71 VanDerWaalsContact O-CA 3.32Å; V60-R71 WeakPolarHBondContact O-CA 3.33Å; T61-R71 HydrophobicContact CG2-CG 4.36Å; R71-E278 WeakPolarHBondContact CB-OE1 3.42Å; R71-E278 IonicContact CZ-OE1 3.52Å; R71-E278 VanDerWaalsContact CZ-OE1 3.3Å; R71-E278 PolarHBondContact N-OE2 3.14Å; R71-E278 IonicContact NE-OE1 3.51Å; R71-E278 PolarHBondContact NE-OE1 3.21Å; R71-E278 IonicContact NH2-OE1 3.82Å; R71-E278 PolarHBondContact NH2-OE1 3.12Å |
| 72 | L | 86.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133 | 177.8 | -59.3 | 179.6 | 0 | 0 | 0 | 109.1 | F11 V59 V60 L62 M70 V74 N152 | F11-L72 HydrophobicContact CD1-CD1 3.84Å; F11-L72 HydrophobicContact CE1-CD1 3.7Å; V59-L72 WeakPolarHBondContact CA-O 3.46Å; V60-L72 HydrophobicContact CG2-CB 3.95Å; V60-L72 PolarHBondContact N-O 3.03Å; V60-L72 PolarHBondContact O-N 3.4Å; L62-L72 HydrophobicContact CD1-CD1 3.59Å; L62-L72 HydrophobicContact CD1-CG 4.29Å; M70-L72 HydrophobicContact CG-CD2 4.25Å; M70-L72 HydrophobicContact SD-CD2 4.32Å; L72-V74 HydrophobicContact CB-CG1 4.34Å; L72-N152 HydrophobicContact CD2-CB 4.36Å |
| 73 | N | 88.4 | Confident | 89.7 | Confident | 70 Ų | 70 | 42.7 Ų | 42.7 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.1 | 167.3 | -170.7 | -40 | 0 | 0 | 0 | 108 | F58 R75 S151 | F58-N73 WeakPolarHBondContact O-CA 3.34Å; N73-R75 WeakPolarHBondContact OD1-CB 3.44Å; N73-R75 PolarHBondContact OD1-N 3.27Å; N73-S151 PolarHBondContact O-OG 3.07Å |
| 74 | V | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -106.7 | 17.6 | -173.9 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | F11 I50 I54 F58 V60 L72 D76 E77 L78 | F11-V74 HydrophobicContact CE2-CG1 4.29Å; F11-V74 HydrophobicContact CZ-CG1 3.69Å; I50-V74 HydrophobicContact CG2-CB 4.08Å; I50-V74 HydrophobicContact CG2-CG1 4.4Å; I50-V74 HydrophobicContact CG2-CG2 3.67Å; I54-V74 HydrophobicContact CG1-CG2 4.47Å; F58-V74 WeakPolarHBondContact O-CG2 3.5Å; F58-V74 PolarHBondContact O-N 2.86Å; V60-V74 HydrophobicContact CG1-CG1 4.38Å; V60-V74 HydrophobicContact CG1-CG2 3.84Å; V60-V74 HydrophobicContact CG2-CG1 3.68Å; L72-V74 HydrophobicContact CB-CG1 4.34Å; V74-D76 PolarHBondContact O-N 3.36Å; V74-E77 VanDerWaalsContact CA-OE2 3.28Å; V74-E77 WeakPolarHBondContact CA-OE2 3.33Å; V74-E77 PolarHBondContact O-N 3.3Å; V74-L78 HydrophobicContact CB-CD1 4.46Å; V74-L78 HydrophobicContact CG2-CD1 3.76Å; V74-L78 HydrophobicContact CG2-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CB 3.26Å; V74-L78 WeakPolarHBondContact O-CD1 3.48Å; V74-L78 VanDerWaalsContact O-CG 3.3Å; V74-L78 WeakPolarHBondContact O-CG 3.39Å; V74-L78 PolarHBondContact O-N 3.24Å | ||
| 75 | R | 92.5 | Very high | 90.6 | Very high | 134 Ų | 134 | 41.4 Ų | 41.4 | 51% | 0.506 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.6 | -50.1 | -178 | -178.1 | 178 | -178.8 | 168.2 | 0.3 | 111.2 | F58 N73 E77 L78 L79 | F58-R75 HydrophobicContact CB-CB 3.78Å; F58-R75 HydrophobicContact CD1-CB 4.21Å; F58-R75 HydrophobicContact CD1-CG 4.32Å; F58-R75 HydrophobicContact CD2-CB 4.14Å; F58-R75 HydrophobicContact CD2-CG 4.03Å; F58-R75 HydrophobicContact CE2-CG 4.26Å; F58-R75 HydrophobicContact CG-CB 3.8Å; F58-R75 HydrophobicContact CG-CG 4.06Å; F58-R75 HydrophobicContact CZ-CG 4.49Å; N73-R75 WeakPolarHBondContact OD1-CB 3.44Å; N73-R75 PolarHBondContact OD1-N 3.27Å; R75-E77 PolarHBondContact O-N 2.95Å; R75-L78 PolarHBondContact O-N 3.19Å; R75-L79 HydrophobicContact CG-CD1 3.86Å; R75-L79 HydrophobicContact CG-CG 4.31Å; R75-L79 VanDerWaalsContact O-CG 3.27Å; R75-L79 WeakPolarHBondContact O-CG 3.42Å; R75-L79 PolarHBondContact O-N 2.87Å |
| 76 | D | 91.2 | Very high | 91.3 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.1 | -38 | -174.9 | -61.9 | -38.9 | 0 | 0 | 0 | 111.7 | V74 G80 | V74-D76 PolarHBondContact O-N 3.36Å; D76-G80 PolarHBondContact O-N 2.8Å |
| 77 | E | 92.4 | Very high | 92 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 174.1 | -70.1 | 81.1 | 171.8 | 0 | 0 | 111.3 | M15 V74 R75 G80 M81 T155 | M15-E77 HydrophobicContact CE-CB 4.12Å; M15-E77 HydrophobicContact CE-CG 3.45Å; M15-E77 VanDerWaalsContact CE-CG 3.45Å; V74-E77 VanDerWaalsContact CA-OE2 3.28Å; V74-E77 WeakPolarHBondContact CA-OE2 3.33Å; V74-E77 PolarHBondContact O-N 3.3Å; R75-E77 PolarHBondContact O-N 2.95Å; E77-G80 PolarHBondContact O-N 3.34Å; E77-M81 WeakPolarHBondContact O-CE 3.28Å; E77-M81 WeakPolarHBondContact O-CG 3.46Å; E77-M81 PolarHBondContact O-N 2.89Å; E77-M81 VanDerWaalsContact O-N 3.08Å; E77-T155 PolarHBondContact OE1-OG1 3.09Å |
| 78 | L | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -48.1 | 179.8 | -72.2 | 165.7 | 0 | 0 | 0 | 112.4 | K47 I50 I51 I54 F58 V74 R75 G80 M81 E82 | K47-L78 HydrophobicContact CG-CD2 3.92Å; I50-L78 HydrophobicContact CB-CD2 4.1Å; I50-L78 HydrophobicContact CG2-CD1 4.18Å; I50-L78 HydrophobicContact CG2-CD2 3.86Å; I50-L78 HydrophobicContact CG2-CG 4.13Å; I51-L78 HydrophobicContact CD1-CD2 4.33Å; I51-L78 HydrophobicContact CG1-CD2 3.77Å; I54-L78 HydrophobicContact CD1-CD1 3.53Å; F58-L78 HydrophobicContact CD1-CD1 3.77Å; F58-L78 HydrophobicContact CE1-CD1 4.37Å; V74-L78 HydrophobicContact CB-CD1 4.46Å; V74-L78 HydrophobicContact CG2-CD1 3.76Å; V74-L78 HydrophobicContact CG2-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CB 3.26Å; V74-L78 WeakPolarHBondContact O-CD1 3.48Å; V74-L78 VanDerWaalsContact O-CG 3.3Å; V74-L78 WeakPolarHBondContact O-CG 3.39Å; V74-L78 PolarHBondContact O-N 3.24Å; R75-L78 PolarHBondContact O-N 3.19Å; L78-G80 VanDerWaalsContact C-N 3.26Å; L78-G80 PolarHBondContact O-N 3.15Å; L78-M81 HydrophobicContact CD2-CE 3.82Å; L78-M81 HydrophobicContact CG-CE 4.41Å; L78-M81 PolarHBondContact O-N 3.31Å; L78-E82 PolarHBondContact O-N 3.18Å |
| 79 | L | 94.3 | Very high | 93.1 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 18% | 0.183 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -36.5 | 176.8 | -63 | 177.5 | 0 | 0 | 0 | 111.1 | R75 E82 K83 Y108 | R75-L79 HydrophobicContact CG-CD1 3.86Å; R75-L79 HydrophobicContact CG-CG 4.31Å; R75-L79 VanDerWaalsContact O-CG 3.27Å; R75-L79 WeakPolarHBondContact O-CG 3.42Å; R75-L79 PolarHBondContact O-N 2.87Å; L79-E82 PolarHBondContact O-N 3.44Å; L79-K83 WeakPolarHBondContact O-CB 3.3Å; L79-K83 VanDerWaalsContact O-CG 3.3Å; L79-K83 WeakPolarHBondContact O-CG 3.39Å; L79-K83 PolarHBondContact O-N 2.91Å; L79-Y108 HydrophobicContact CB-CE1 4.44Å; L79-Y108 HydrophobicContact CD2-CE1 4.07Å |
| 80 | G | 95.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R22 D76 E77 L78 D84 | R22-G80 VanDerWaalsContact NH2-C 3.26Å; D76-G80 PolarHBondContact O-N 2.8Å; E77-G80 PolarHBondContact O-N 3.34Å; L78-G80 VanDerWaalsContact C-N 3.26Å; L78-G80 PolarHBondContact O-N 3.15Å; G80-D84 WeakPolarHBondContact O-CB 3.42Å; G80-D84 PolarHBondContact O-N 2.92Å |
| 81 | M | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 175.6 | -72.2 | -178.4 | -73.4 | 0 | 0 | 112.3 | L18 V46 K47 I50 E77 L78 D84 M85 | L18-M81 HydrophobicContact CD1-CG 3.87Å; L18-M81 HydrophobicContact CD1-SD 3.96Å; L18-M81 HydrophobicContact CD2-CG 4.09Å; L18-M81 HydrophobicContact CD2-SD 4Å; V46-M81 HydrophobicContact CB-SD 4.04Å; V46-M81 HydrophobicContact CG1-CE 4.31Å; V46-M81 HydrophobicContact CG1-SD 3.46Å; V46-M81 WeakPolarHBondContact CG1-SD 3.34Å; K47-M81 HydrophobicContact CB-CB 4.47Å; K47-M81 HydrophobicContact CB-CE 3.95Å; K47-M81 HydrophobicContact CB-SD 3.86Å; K47-M81 HydrophobicContact CG-CE 4.3Å; I50-M81 HydrophobicContact CD1-CE 4Å; E77-M81 WeakPolarHBondContact O-CE 3.28Å; E77-M81 WeakPolarHBondContact O-CG 3.46Å; E77-M81 PolarHBondContact O-N 2.89Å; E77-M81 VanDerWaalsContact O-N 3.08Å; L78-M81 HydrophobicContact CD2-CE 3.82Å; L78-M81 HydrophobicContact CG-CE 4.41Å; L78-M81 PolarHBondContact O-N 3.31Å; M81-D84 PolarHBondContact O-N 3.16Å; M81-M85 WeakPolarHBondContact O-CE 3.29Å; M81-M85 WeakPolarHBondContact O-CG 3.37Å; M81-M85 PolarHBondContact O-N 3.21Å |
| 82 | E | 96.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 31% | 0.308 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.5 | -49 | 174.5 | -75.2 | 176.4 | 172 | 0 | 0 | 112.4 | K47 L78 L79 D84 M85 F86 | K47-E82 HydrophobicContact CD-CG 4.32Å; K47-E82 VanDerWaalsContact CE-OE1 3.24Å; K47-E82 WeakPolarHBondContact CE-OE1 3.24Å; K47-E82 IonicContact NZ-OE1 3.61Å; K47-E82 PolarHBondContact NZ-OE1 2.93Å; L78-E82 PolarHBondContact O-N 3.18Å; L79-E82 PolarHBondContact O-N 3.44Å; E82-D84 VanDerWaalsContact C-N 3.33Å; E82-D84 PolarHBondContact O-N 3.32Å; E82-M85 HydrophobicContact CG-CE 4.2Å; E82-M85 PolarHBondContact O-N 2.99Å; E82-F86 PolarHBondContact O-N 3.26Å; E82-F86 VanDerWaalsContact O-N 3.09Å |
| 83 | K | 97.4 | Very high | 94 | Very high | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 173.8 | -71 | 170.1 | -177.4 | 173.3 | 0 | 111.2 | L79 F86 F87 F101 L105 Y108 Y161 E402 | L79-K83 WeakPolarHBondContact O-CB 3.3Å; L79-K83 VanDerWaalsContact O-CG 3.3Å; L79-K83 WeakPolarHBondContact O-CG 3.39Å; L79-K83 PolarHBondContact O-N 2.91Å; K83-F86 PolarHBondContact O-N 3.1Å; K83-F87 WeakPolarHBondContact O-CB 3.44Å; K83-F87 PolarHBondContact O-N 2.93Å; K83-F101 HydrophobicContact CB-CE2 4.44Å; K83-F101 HydrophobicContact CB-CZ 4.34Å; K83-F101 VanDerWaalsContact O-CE2 3.26Å; K83-F101 WeakPolarHBondContact O-CE2 3.49Å; K83-L105 HydrophobicContact CD-CD2 4.12Å; K83-L105 HydrophobicContact CG-CD2 4.29Å; K83-Y108 HydrophobicContact CG-CE1 4.31Å; K83-Y108 HydrophobicContact CG-CE2 4.06Å; K83-Y161 HydrophobicContact CB-CD1 4.16Å; K83-Y161 HydrophobicContact CB-CE1 4Å; K83-Y161 HydrophobicContact CD-CE1 3.94Å; K83-E402 IonicContact NZ-OE1 2.81Å; K83-E402 PolarHBondContact NZ-OE1 3.43Å |
| 84 | D | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | -179.1 | -71.8 | -26.7 | 0 | 0 | 0 | 112.7 | R22 L43 G80 M81 E82 F87 T88 A160 Y161 | R22-D84 IonicContact CZ-OD2 3.76Å; R22-D84 VanDerWaalsContact CZ-OD2 3.22Å; R22-D84 IonicContact NE-OD2 3.72Å; R22-D84 PolarHBondContact NE-OD2 3.12Å; R22-D84 IonicContact NH2-OD2 2.68Å; R22-D84 PolarHBondContact NH2-OD2 3.26Å; R22-D84 VanDerWaalsContact NH2-OD2 3.11Å; L43-D84 HydrophobicContact CD1-CB 3.85Å; G80-D84 WeakPolarHBondContact O-CB 3.42Å; G80-D84 PolarHBondContact O-N 2.92Å; M81-D84 PolarHBondContact O-N 3.16Å; E82-D84 VanDerWaalsContact C-N 3.33Å; E82-D84 PolarHBondContact O-N 3.32Å; D84-F87 WeakPolarHBondContact O-CB 3.45Å; D84-F87 PolarHBondContact O-N 2.85Å; D84-T88 VanDerWaalsContact O-CG2 3.28Å; D84-T88 WeakPolarHBondContact O-CG2 3.43Å; D84-T88 PolarHBondContact O-N 2.99Å; D84-A160 HydrophobicContact CB-CB 4.34Å; D84-A160 VanDerWaalsContact CG-N 3.29Å; D84-A160 WeakPolarHBondContact OD1-CA 3.43Å; D84-A160 WeakPolarHBondContact OD1-CB 3.4Å; D84-A160 PolarHBondContact OD1-N 3.3Å; D84-A160 PolarHBondContact OD2-N 3Å; D84-Y161 PolarHBondContact OD1-N 3.36Å |
| 85 | M | 97.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 175.9 | -69.8 | 178.7 | -63.4 | 0 | 0 | 111 | L43 E44 K47 M81 E82 T88 L89 | L43-M85 HydrophobicContact CB-CG 3.99Å; L43-M85 HydrophobicContact CB-SD 4.44Å; L43-M85 HydrophobicContact CD1-CG 4Å; E44-M85 HydrophobicContact CB-SD 4.44Å; E44-M85 HydrophobicContact CG-SD 3.42Å; E44-M85 WeakPolarHBondContact CG-SD 3.48Å; K47-M85 HydrophobicContact CD-CE 3.54Å; M81-M85 WeakPolarHBondContact O-CE 3.29Å; M81-M85 WeakPolarHBondContact O-CG 3.37Å; M81-M85 PolarHBondContact O-N 3.21Å; E82-M85 HydrophobicContact CG-CE 4.2Å; E82-M85 PolarHBondContact O-N 2.99Å; M85-T88 PolarHBondContact O-N 3.42Å; M85-T88 PolarHBondContact O-OG1 2.92Å; M85-L89 PolarHBondContact O-N 3.04Å |
| 86 | F | 97.1 | Very high | 93 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 31% | 0.307 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.2 | -40 | 176.9 | -171.8 | -119.9 | 0 | 0 | 0 | 112.2 | E82 K83 T88 L89 C90 V100 F101 C104 | E82-F86 PolarHBondContact O-N 3.26Å; E82-F86 VanDerWaalsContact O-N 3.09Å; K83-F86 PolarHBondContact O-N 3.1Å; F86-T88 PolarHBondContact O-N 3.42Å; F86-L89 HydrophobicContact CD2-CD2 4.27Å; F86-L89 HydrophobicContact CE2-CD2 4.4Å; F86-L89 WeakPolarHBondContact O-CB 3.3Å; F86-L89 PolarHBondContact O-N 3.34Å; F86-L89 VanDerWaalsContact O-N 3.16Å; F86-C90 VanDerWaalsContact CE1-SG 3.54Å; F86-C90 VanDerWaalsContact CZ-SG 3.53Å; F86-C90 WeakPolarHBondContact O-CB 3.23Å; F86-C90 PolarHBondContact O-N 3.28Å; F86-C90 PolarHBondContact O-SG 3.36Å; F86-V100 HydrophobicContact CZ-CG1 4.01Å; F86-F101 AromaticContact CD1-CD2 3.66Å; F86-F101 HydrophobicContact CD1-CD2 3.66Å; F86-F101 HydrophobicContact CD1-CE2 4.2Å; F86-F101 HydrophobicContact CE1-CD2 4.23Å; F86-C104 HydrophobicContact CD1-CB 3.77Å; F86-C104 VanDerWaalsContact CD1-SG 3.56Å; F86-C104 HydrophobicContact CE1-CB 3.34Å; F86-C104 HydrophobicContact CZ-CB 4.38Å |
| 87 | F | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55 | -50.1 | 173 | 173.6 | -114.3 | 0 | 0 | 0 | 111.2 | L29 K83 D84 L89 C90 M91 F101 Y164 W165 | L29-F87 HydrophobicContact CD1-CD1 4.48Å; L29-F87 HydrophobicContact CD1-CE1 3.49Å; L29-F87 VanDerWaalsContact CD1-CE1 3.49Å; L29-F87 HydrophobicContact CD1-CZ 3.94Å; K83-F87 WeakPolarHBondContact O-CB 3.44Å; K83-F87 PolarHBondContact O-N 2.93Å; D84-F87 WeakPolarHBondContact O-CB 3.45Å; D84-F87 PolarHBondContact O-N 2.85Å; F87-L89 VanDerWaalsContact C-N 3.28Å; F87-L89 PolarHBondContact O-N 2.91Å; F87-C90 WeakPolarHBondContact O-CB 3.44Å; F87-C90 PolarHBondContact O-N 3.14Å; F87-C90 VanDerWaalsContact O-N 3.15Å; F87-M91 HydrophobicContact CD1-CG 4.44Å; F87-M91 HydrophobicContact CD2-CG 3.93Å; F87-M91 HydrophobicContact CD2-SD 4.18Å; F87-M91 HydrophobicContact CE1-CG 4.07Å; F87-M91 HydrophobicContact CE2-CG 3.52Å; F87-M91 HydrophobicContact CE2-SD 3.47Å; F87-M91 WeakPolarHBondContact CE2-SD 3.33Å; F87-M91 HydrophobicContact CG-CG 4.36Å; F87-M91 HydrophobicContact CZ-CG 3.58Å; F87-M91 HydrophobicContact CZ-SD 3.89Å; F87-M91 VanDerWaalsContact O-CG 3.3Å; F87-M91 WeakPolarHBondContact O-CG 3.45Å; F87-M91 PolarHBondContact O-N 3.45Å; F87-F101 HydrophobicContact CB-CD1 4.42Å; F87-F101 HydrophobicContact CB-CD2 3.88Å; F87-F101 HydrophobicContact CB-CE1 4.13Å; F87-F101 HydrophobicContact CB-CE2 3.56Å; F87-F101 HydrophobicContact CB-CG 4.32Å; F87-F101 HydrophobicContact CB-CZ 3.69Å; F87-F101 AromaticContact CD2-CD1 3.6Å; F87-F101 HydrophobicContact CD2-CD1 3.6Å; F87-F101 HydrophobicContact CD2-CD2 4.39Å; F87-F101 AromaticContact CD2-CE1 3.7Å; F87-F101 HydrophobicContact CD2-CE1 3.7Å; F87-F101 HydrophobicContact CD2-CE2 4.49Å; F87-F101 AromaticContact CD2-CG 3.98Å; F87-F101 HydrophobicContact CD2-CG 3.98Å; F87-F101 HydrophobicContact CD2-CZ 4.17Å; F87-F101 HydrophobicContact CE2-CD1 4.39Å; F87-F101 HydrophobicContact CG-CD1 4.45Å; F87-F101 HydrophobicContact CG-CE1 4.24Å; F87-F101 HydrophobicContact CG-CE2 4.49Å; F87-F101 HydrophobicContact CG-CZ 4.27Å; F87-Y164 HydrophobicContact CE2-CD1 4.3Å; F87-Y164 AromaticContact CZ-CD1 3.58Å; F87-Y164 HydrophobicContact CZ-CD1 3.58Å; F87-Y164 HydrophobicContact CZ-CE1 4.3Å; F87-Y164 AromaticContact CZ-CG 3.95Å; F87-Y164 HydrophobicContact CZ-CG 3.95Å; F87-W165 HydrophobicContact CE2-CZ2 4.42Å |
| 88 | T | 95.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 178.8 | 65.8 | 0 | 0 | 0 | 0 | 113.1 | I25 V35 D84 M85 F86 K92 | I25-T88 HydrophobicContact CD1-CG2 4.3Å; I25-T88 HydrophobicContact CG2-CG2 3.85Å; V35-T88 HydrophobicContact CG1-CG2 4.26Å; V35-T88 HydrophobicContact CG2-CG2 4.44Å; D84-T88 VanDerWaalsContact O-CG2 3.28Å; D84-T88 WeakPolarHBondContact O-CG2 3.43Å; D84-T88 PolarHBondContact O-N 2.99Å; M85-T88 PolarHBondContact O-N 3.42Å; M85-T88 PolarHBondContact O-OG1 2.92Å; F86-T88 PolarHBondContact O-N 3.42Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.28Å |
| 89 | L | 94.9 | Very high | 93 | Very high | 102 Ų | 102 | 42 Ų | 42 | 53% | 0.534 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 174.4 | 179.7 | 66.8 | 0 | 0 | 0 | 111.6 | M85 F86 F87 K92 S93 | M85-L89 PolarHBondContact O-N 3.04Å; F86-L89 HydrophobicContact CD2-CD2 4.27Å; F86-L89 HydrophobicContact CE2-CD2 4.4Å; F86-L89 WeakPolarHBondContact O-CB 3.3Å; F86-L89 PolarHBondContact O-N 3.34Å; F86-L89 VanDerWaalsContact O-N 3.16Å; F87-L89 VanDerWaalsContact C-N 3.28Å; F87-L89 PolarHBondContact O-N 2.91Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-S93 PolarHBondContact O-N 2.92Å; L89-S93 PolarHBondContact O-OG 2.78Å |
| 90 | C | 94.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 176 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | F86 F87 K92 S93 G97 F101 | F86-C90 VanDerWaalsContact CE1-SG 3.54Å; F86-C90 VanDerWaalsContact CZ-SG 3.53Å; F86-C90 WeakPolarHBondContact O-CB 3.23Å; F86-C90 PolarHBondContact O-N 3.28Å; F86-C90 PolarHBondContact O-SG 3.36Å; F87-C90 WeakPolarHBondContact O-CB 3.44Å; F87-C90 PolarHBondContact O-N 3.14Å; F87-C90 VanDerWaalsContact O-N 3.15Å; C90-K92 PolarHBondContact O-N 2.98Å; C90-S93 WeakPolarHBondContact O-CA 3.44Å; C90-S93 VanDerWaalsContact O-CB 3.29Å; C90-S93 WeakPolarHBondContact O-CB 3.16Å; C90-S93 PolarHBondContact O-N 3.35Å; C90-G97 WeakPolarHBondContact CB-O 3.4Å; C90-G97 WeakPolarHBondContact O-CA 3.28Å; C90-F101 HydrophobicContact CB-CB 3.83Å |
| 91 | M | 91.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 5% | 0.054 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -27.2 | 178.3 | -61.8 | -50.8 | -68.7 | 0 | 0 | 112.8 | L29 F87 S93 P98 Y164 I420 | L29-M91 HydrophobicContact CD1-CG 4.43Å; L29-M91 HydrophobicContact CD2-CB 4.08Å; L29-M91 HydrophobicContact CD2-CG 4.42Å; F87-M91 HydrophobicContact CD1-CG 4.44Å; F87-M91 HydrophobicContact CD2-CG 3.93Å; F87-M91 HydrophobicContact CD2-SD 4.18Å; F87-M91 HydrophobicContact CE1-CG 4.07Å; F87-M91 HydrophobicContact CE2-CG 3.52Å; F87-M91 HydrophobicContact CE2-SD 3.47Å; F87-M91 WeakPolarHBondContact CE2-SD 3.33Å; F87-M91 HydrophobicContact CG-CG 4.36Å; F87-M91 HydrophobicContact CZ-CG 3.58Å; F87-M91 HydrophobicContact CZ-SD 3.89Å; F87-M91 VanDerWaalsContact O-CG 3.3Å; F87-M91 WeakPolarHBondContact O-CG 3.45Å; F87-M91 PolarHBondContact O-N 3.45Å; M91-S93 VanDerWaalsContact C-N 3.29Å; M91-S93 PolarHBondContact O-N 2.97Å; M91-P98 HydrophobicContact CE-CG 4.27Å; M91-P98 HydrophobicContact SD-CG 3.89Å; M91-Y164 HydrophobicContact CE-CE1 3.68Å; M91-I420 WeakPolarHBondContact CE-O 3.37Å |
| 92 | K | 89.7 | Confident | 93.2 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -73 | -19.6 | 172.2 | -73.9 | 177.5 | 179.9 | -174.1 | 0 | 113.5 | V35 T88 L89 C90 G94 | V35-K92 WeakPolarHBondContact O-CE 3.39Å; V35-K92 PolarHBondContact O-NZ 2.9Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.28Å; L89-K92 PolarHBondContact O-N 3.48Å; C90-K92 PolarHBondContact O-N 2.98Å; K92-G94 VanDerWaalsContact C-N 3.27Å; K92-G94 PolarHBondContact O-N 3.38Å |
| 93 | S | 87.3 | Confident | 93.2 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 61% | 0.608 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 4.9 | -174.8 | -56.5 | 0 | 0 | 0 | 0 | 113.7 | L89 C90 M91 | L89-S93 PolarHBondContact O-N 2.92Å; L89-S93 PolarHBondContact O-OG 2.78Å; C90-S93 WeakPolarHBondContact O-CA 3.44Å; C90-S93 VanDerWaalsContact O-CB 3.29Å; C90-S93 WeakPolarHBondContact O-CB 3.16Å; C90-S93 PolarHBondContact O-N 3.35Å; M91-S93 VanDerWaalsContact C-N 3.29Å; M91-S93 PolarHBondContact O-N 2.97Å |
| 94 | G | 83.8 | Confident | 93.2 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | trans | 79.1 | -157.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K92 N96 G97 | K92-G94 VanDerWaalsContact C-N 3.27Å; K92-G94 PolarHBondContact O-N 3.38Å; G94-N96 PolarHBondContact O-N 3.16Å; G94-G97 WeakPolarHBondContact O-CA 3.28Å; G94-G97 PolarHBondContact O-N 3.08Å | ||
| 95 | S | 82.1 | Confident | 93.2 | Very high | 96 Ų | 96 | 45.3 Ų | 45.3 | 67% | 0.671 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.3 | -163.7 | 63.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 96 | N | 87.1 | Confident | 93.3 | Very high | 119 Ų | 119 | 43.9 Ų | 43.9 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -15.1 | 175.8 | -72.7 | -16 | 0 | 0 | 0 | 112.8 | G94 K99 V100 | G94-N96 PolarHBondContact O-N 3.16Å; N96-K99 PolarHBondContact O-N 3.46Å; N96-V100 WeakPolarHBondContact O-CG2 3.22Å; N96-V100 PolarHBondContact O-N 3.1Å; N96-V100 VanDerWaalsContact O-N 3.07Å |
| 97 | G | 91.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -51.8 | -54.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | C90 G94 K99 V100 F101 | C90-G97 WeakPolarHBondContact CB-O 3.4Å; C90-G97 WeakPolarHBondContact O-CA 3.28Å; G94-G97 WeakPolarHBondContact O-CA 3.28Å; G94-G97 PolarHBondContact O-N 3.08Å; G97-K99 VanDerWaalsContact C-N 3.27Å; G97-K99 PolarHBondContact O-N 2.87Å; G97-V100 PolarHBondContact O-N 3.38Å; G97-V100 VanDerWaalsContact O-N 3.12Å; G97-F101 PolarHBondContact O-N 3.47Å |
| 98 | P | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.2 | -42.1 | 177.5 | -29.1 | 35.3 | 0 | 0 | 0 | 113.5 | M91 F101 V102 E409 T419 | M91-P98 HydrophobicContact CE-CG 4.27Å; M91-P98 HydrophobicContact SD-CG 3.89Å; P98-F101 PolarHBondContact O-N 3.15Å; P98-V102 WeakPolarHBondContact O-CG2 3.28Å; P98-V102 PolarHBondContact O-N 3.09Å; P98-E409 HydrophobicContact CB-CG 3.98Å; P98-E409 VanDerWaalsContact CB-OE1 3.29Å; P98-E409 WeakPolarHBondContact CB-OE1 3.21Å; P98-T419 WeakPolarHBondContact CG-OG1 3.4Å |
| 99 | K | 93 | Very high | 93.2 | Very high | 110 Ų | 110 | 50.3 Ų | 50.3 | 48% | 0.478 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 177.2 | -175.6 | -178.3 | 176.6 | -176.3 | 0 | 112 | N96 G97 F101 V102 D103 | N96-K99 PolarHBondContact O-N 3.46Å; G97-K99 VanDerWaalsContact C-N 3.27Å; G97-K99 PolarHBondContact O-N 2.87Å; K99-F101 PolarHBondContact O-N 3.26Å; K99-V102 PolarHBondContact O-N 3.47Å; K99-D103 PolarHBondContact O-N 3.25Å |
| 100 | V | 95.7 | Very high | 93.2 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | F86 N96 G97 D103 C104 | F86-V100 HydrophobicContact CZ-CG1 4.01Å; N96-V100 WeakPolarHBondContact O-CG2 3.22Å; N96-V100 PolarHBondContact O-N 3.1Å; N96-V100 VanDerWaalsContact O-N 3.07Å; G97-V100 PolarHBondContact O-N 3.38Å; G97-V100 VanDerWaalsContact O-N 3.12Å; V100-D103 PolarHBondContact O-N 3.49Å; V100-C104 PolarHBondContact O-N 2.83Å |
| 101 | F | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 176 | -178 | -111.2 | 0 | 0 | 0 | 112.1 | K83 F86 F87 C90 G97 P98 K99 D103 C104 L105 Y161 W165 | K83-F101 HydrophobicContact CB-CE2 4.44Å; K83-F101 HydrophobicContact CB-CZ 4.34Å; K83-F101 VanDerWaalsContact O-CE2 3.26Å; K83-F101 WeakPolarHBondContact O-CE2 3.49Å; F86-F101 AromaticContact CD1-CD2 3.66Å; F86-F101 HydrophobicContact CD1-CD2 3.66Å; F86-F101 HydrophobicContact CD1-CE2 4.2Å; F86-F101 HydrophobicContact CE1-CD2 4.23Å; F87-F101 HydrophobicContact CB-CD1 4.42Å; F87-F101 HydrophobicContact CB-CD2 3.88Å; F87-F101 HydrophobicContact CB-CE1 4.13Å; F87-F101 HydrophobicContact CB-CE2 3.56Å; F87-F101 HydrophobicContact CB-CG 4.32Å; F87-F101 HydrophobicContact CB-CZ 3.69Å; F87-F101 AromaticContact CD2-CD1 3.6Å; F87-F101 HydrophobicContact CD2-CD1 3.6Å; F87-F101 HydrophobicContact CD2-CD2 4.39Å; F87-F101 AromaticContact CD2-CE1 3.7Å; F87-F101 HydrophobicContact CD2-CE1 3.7Å; F87-F101 HydrophobicContact CD2-CE2 4.49Å; F87-F101 AromaticContact CD2-CG 3.98Å; F87-F101 HydrophobicContact CD2-CG 3.98Å; F87-F101 HydrophobicContact CD2-CZ 4.17Å; F87-F101 HydrophobicContact CE2-CD1 4.39Å; F87-F101 HydrophobicContact CG-CD1 4.45Å; F87-F101 HydrophobicContact CG-CE1 4.24Å; F87-F101 HydrophobicContact CG-CE2 4.49Å; F87-F101 HydrophobicContact CG-CZ 4.27Å; C90-F101 HydrophobicContact CB-CB 3.83Å; G97-F101 PolarHBondContact O-N 3.47Å; P98-F101 PolarHBondContact O-N 3.15Å; K99-F101 PolarHBondContact O-N 3.26Å; F101-D103 VanDerWaalsContact C-N 3.31Å; F101-D103 PolarHBondContact O-N 2.75Å; F101-C104 WeakPolarHBondContact O-CB 3.34Å; F101-C104 PolarHBondContact O-N 2.94Å; F101-C104 VanDerWaalsContact O-N 3.1Å; F101-L105 HydrophobicContact CD1-CD1 4.33Å; F101-L105 HydrophobicContact CD1-CG 4.45Å; F101-L105 HydrophobicContact CE1-CD1 3.86Å; F101-L105 HydrophobicContact CE1-CD2 4Å; F101-L105 HydrophobicContact CE1-CG 4.03Å; F101-L105 HydrophobicContact CE2-CD2 4.23Å; F101-L105 HydrophobicContact CZ-CD1 4.39Å; F101-L105 HydrophobicContact CZ-CD2 3.65Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 PolarHBondContact O-N 3.34Å; F101-L105 VanDerWaalsContact O-N 3.08Å; F101-Y161 HydrophobicContact CE1-CD1 4.43Å; F101-Y161 AromaticContact CE1-CD2 3.85Å; F101-Y161 HydrophobicContact CE1-CD2 3.85Å; F101-Y161 AromaticContact CE1-CG 3.7Å; F101-Y161 HydrophobicContact CE1-CG 3.7Å; F101-Y161 HydrophobicContact CZ-CD1 4Å; F101-Y161 HydrophobicContact CZ-CD2 4.18Å; F101-Y161 AromaticContact CZ-CG 3.72Å; F101-Y161 HydrophobicContact CZ-CG 3.72Å; F101-W165 AromaticContact CD1-CH2 3.29Å; F101-W165 HydrophobicContact CD1-CH2 3.29Å; F101-W165 AromaticContact CD1-CZ2 3.63Å; F101-W165 HydrophobicContact CD1-CZ2 3.63Å; F101-W165 HydrophobicContact CD1-CZ3 4.14Å; F101-W165 AromaticContact CE1-CH2 3.47Å; F101-W165 HydrophobicContact CE1-CH2 3.47Å; F101-W165 VanDerWaalsContact CE1-CH2 3.47Å; F101-W165 HydrophobicContact CE1-CZ2 4.1Å; F101-W165 AromaticContact CE1-CZ3 3.85Å; F101-W165 HydrophobicContact CE1-CZ3 3.85Å |
| 102 | V | 97 | Very high | 93.6 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.9 | -44.3 | 174.5 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | P98 K99 C104 L105 F116 W165 A406 E409 | P98-V102 WeakPolarHBondContact O-CG2 3.28Å; P98-V102 PolarHBondContact O-N 3.09Å; K99-V102 PolarHBondContact O-N 3.47Å; V102-C104 VanDerWaalsContact C-N 3.25Å; V102-C104 PolarHBondContact O-N 2.85Å; V102-L105 WeakPolarHBondContact O-CB 3.33Å; V102-L105 PolarHBondContact O-N 2.98Å; V102-F116 HydrophobicContact CG1-CE1 4.27Å; V102-W165 HydrophobicContact CG2-CH2 3.82Å; V102-W165 HydrophobicContact CG2-CZ2 4.15Å; V102-A406 HydrophobicContact CB-CB 4.49Å; V102-A406 HydrophobicContact CG1-CB 3.71Å; V102-A406 HydrophobicContact CG2-CB 4.08Å; V102-E409 HydrophobicContact CG2-CB 4.18Å; V102-E409 HydrophobicContact CG2-CG 4.1Å |
| 103 | D | 97.1 | Very high | 94 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 177.8 | -67.9 | -24.8 | 0 | 0 | 0 | 111.6 | K99 V100 F101 A106 H117 | K99-D103 PolarHBondContact O-N 3.25Å; V100-D103 PolarHBondContact O-N 3.49Å; F101-D103 VanDerWaalsContact C-N 3.31Å; F101-D103 PolarHBondContact O-N 2.75Å; D103-A106 VanDerWaalsContact O-CB 3.26Å; D103-A106 WeakPolarHBondContact O-CB 3.34Å; D103-A106 PolarHBondContact O-N 2.8Å; D103-H117 IonicContact OD1-CE1 3.29Å |
| 104 | C | 97.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.8 | -29.5 | 173.9 | 177.7 | 0 | 0 | 0 | 0 | 113.4 | F86 V100 F101 V102 A106 D107 Y108 | F86-C104 HydrophobicContact CD1-CB 3.77Å; F86-C104 VanDerWaalsContact CD1-SG 3.56Å; F86-C104 HydrophobicContact CE1-CB 3.34Å; F86-C104 HydrophobicContact CZ-CB 4.38Å; V100-C104 PolarHBondContact O-N 2.83Å; F101-C104 WeakPolarHBondContact O-CB 3.34Å; F101-C104 PolarHBondContact O-N 2.94Å; F101-C104 VanDerWaalsContact O-N 3.1Å; V102-C104 VanDerWaalsContact C-N 3.25Å; V102-C104 PolarHBondContact O-N 2.85Å; C104-A106 PolarHBondContact O-N 2.91Å; C104-D107 PolarHBondContact O-N 2.81Å; C104-Y108 WeakPolarHBondContact O-CD2 3.24Å; C104-Y108 WeakPolarHBondContact O-CE2 3.41Å |
| 105 | L | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -24.4 | 176.1 | -66.8 | -179.4 | 0 | 0 | 0 | 112.4 | K83 F101 V102 D107 Y108 F116 Y161 W165 E402 | K83-L105 HydrophobicContact CD-CD2 4.12Å; K83-L105 HydrophobicContact CG-CD2 4.29Å; F101-L105 HydrophobicContact CD1-CD1 4.33Å; F101-L105 HydrophobicContact CD1-CG 4.45Å; F101-L105 HydrophobicContact CE1-CD1 3.86Å; F101-L105 HydrophobicContact CE1-CD2 4Å; F101-L105 HydrophobicContact CE1-CG 4.03Å; F101-L105 HydrophobicContact CE2-CD2 4.23Å; F101-L105 HydrophobicContact CZ-CD1 4.39Å; F101-L105 HydrophobicContact CZ-CD2 3.65Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 PolarHBondContact O-N 3.34Å; F101-L105 VanDerWaalsContact O-N 3.08Å; V102-L105 WeakPolarHBondContact O-CB 3.33Å; V102-L105 PolarHBondContact O-N 2.98Å; L105-D107 PolarHBondContact O-N 2.82Å; L105-Y108 PolarHBondContact O-N 2.81Å; L105-Y108 VanDerWaalsContact O-N 3.09Å; L105-F116 HydrophobicContact CB-CE2 4.15Å; L105-F116 HydrophobicContact CB-CZ 3.77Å; L105-Y161 HydrophobicContact CD1-CE2 4.37Å; L105-W165 HydrophobicContact CD1-CH2 3.89Å; L105-W165 HydrophobicContact CD1-CZ3 3.76Å; L105-E402 HydrophobicContact CB-CB 4.16Å; L105-E402 HydrophobicContact CB-CG 4.28Å; L105-E402 HydrophobicContact CD1-CB 4.19Å; L105-E402 HydrophobicContact CD1-CG 4.28Å; L105-E402 HydrophobicContact CD2-CG 3.93Å; L105-E402 HydrophobicContact CG-CG 4.39Å |
| 106 | A | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -59.1 | -32.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D103 C104 Y108 H109 A113 F116 | D103-A106 VanDerWaalsContact O-CB 3.26Å; D103-A106 WeakPolarHBondContact O-CB 3.34Å; D103-A106 PolarHBondContact O-N 2.8Å; C104-A106 PolarHBondContact O-N 2.91Å; A106-Y108 PolarHBondContact O-N 3.41Å; A106-H109 WeakPolarHBondContact O-CB 3.29Å; A106-H109 PolarHBondContact O-N 3.16Å; A106-A113 HydrophobicContact CB-CB 3.73Å; A106-A113 WeakPolarHBondContact O-CA 3.47Å; A106-F116 VanDerWaalsContact CA-CD1 3.48Å; A106-F116 HydrophobicContact CB-CB 4.11Å; A106-F116 HydrophobicContact CB-CD1 3.36Å; A106-F116 HydrophobicContact CB-CE1 3.9Å; A106-F116 HydrophobicContact CB-CG 3.86Å |
| 107 | D | 96.4 | Very high | 96.6 | Very high | 128 Ų | 128 | 51.8 Ų | 51.8 | 68% | 0.684 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -66.9 | -18 | 179.2 | -68.7 | -27.6 | 0 | 0 | 0 | 113.3 | C104 L105 | C104-D107 PolarHBondContact O-N 2.81Å; L105-D107 PolarHBondContact O-N 2.82Å |
| 108 | Y | 94 | Very high | 96.9 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -95.9 | -3.1 | -178.8 | -60 | -90.7 | 0 | 0 | 0 | 113.2 | L79 K83 C104 L105 A106 | L79-Y108 HydrophobicContact CB-CE1 4.44Å; L79-Y108 HydrophobicContact CD2-CE1 4.07Å; K83-Y108 HydrophobicContact CG-CE1 4.31Å; K83-Y108 HydrophobicContact CG-CE2 4.06Å; C104-Y108 WeakPolarHBondContact O-CD2 3.24Å; C104-Y108 WeakPolarHBondContact O-CE2 3.41Å; L105-Y108 PolarHBondContact O-N 2.81Å; L105-Y108 VanDerWaalsContact O-N 3.09Å; A106-Y108 PolarHBondContact O-N 3.41Å |
| 109 | H | 97.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -69.5 | 134.4 | -179.5 | -174.5 | -93.3 | 0 | 0 | 0 | 110.7 | A106 K111 S112 T115 F116 E119 | A106-H109 WeakPolarHBondContact O-CB 3.29Å; A106-H109 PolarHBondContact O-N 3.16Å; H109-K111 PolarHBondContact ND1-N 3.37Å; H109-K111 PolarHBondContact O-N 2.88Å; H109-S112 PolarHBondContact ND1-N 2.67Å; H109-S112 PolarHBondContact ND1-O 3.24Å; H109-T115 VanDerWaalsContact CE1-CG2 3.47Å; H109-T115 WeakPolarHBondContact CE1-CG2 3.16Å; H109-F116 HydrophobicContact CB-CB 3.73Å; H109-F116 HydrophobicContact CB-CD2 4.2Å; H109-F116 HydrophobicContact CB-CG 4.38Å; H109-E119 IonicContact CD2-OE2 3.92Å; H109-E119 IonicContact NE2-OE1 2.93Å; H109-E119 IonicContact NE2-OE2 3.82Å; H109-E119 PolarHBondContact NE2-OE2 3.27Å; H109-E119 VanDerWaalsContact NE2-OE2 3.15Å |
| 110 | P | 95.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 52.5 Ų | 52.5 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -66.5 | -12.6 | -170.5 | 24.6 | -35.6 | 0 | 0 | 0 | 115.2 | ||
| 111 | K | 97.2 | Very high | 97.5 | Very high | 152 Ų | 152 | 51.7 Ų | 51.7 | 66% | 0.661 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -106.7 | -66.5 | 178.2 | -64.9 | 178.6 | 177.7 | 172.3 | 0 | 112.3 | H109 T115 | H109-K111 PolarHBondContact ND1-N 3.37Å; H109-K111 PolarHBondContact O-N 2.88Å; K111-T115 HydrophobicContact CD-CG2 4.18Å |
| 112 | S | 98.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | trans | -163.8 | 164.3 | 176.5 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | H109 E114 T115 F116 | H109-S112 PolarHBondContact ND1-N 2.67Å; H109-S112 PolarHBondContact ND1-O 3.24Å; S112-E114 VanDerWaalsContact C-N 3.3Å; S112-T115 PolarHBondContact O-N 3.21Å; S112-T115 PolarHBondContact OG-N 2.95Å; S112-T115 VanDerWaalsContact OG-N 3.12Å; S112-T115 PolarHBondContact OG-OG1 3.26Å; S112-T115 VanDerWaalsContact OG-OG1 3.13Å; S112-F116 PolarHBondContact O-N 3.17Å; S112-F116 VanDerWaalsContact O-N 3.16Å | ||
| 113 | A | 98.2 | Very high | 97.7 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -33.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A106 F116 H117 | A106-A113 HydrophobicContact CB-CB 3.73Å; A106-A113 WeakPolarHBondContact O-CA 3.47Å; A113-F116 WeakPolarHBondContact O-CB 3.48Å; A113-F116 PolarHBondContact O-N 3.36Å; A113-H117 PolarHBondContact O-CD2 2.78Å; A113-H117 PolarHBondContact O-N 2.9Å; A113-H117 VanDerWaalsContact O-N 3.12Å |
| 114 | E | 98.5 | Very high | 97.7 | Very high | 141 Ų | 141 | 55.7 Ų | 55.7 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -49.6 | 175.1 | -178.1 | 176 | -159.5 | 0 | 0 | 111.2 | S112 F116 H117 E118 | S112-E114 VanDerWaalsContact C-N 3.3Å; E114-F116 VanDerWaalsContact C-N 3.26Å; E114-F116 PolarHBondContact O-N 2.78Å; E114-H117 PolarHBondContact O-N 3.24Å; E114-H117 VanDerWaalsContact O-N 3.16Å; E114-E118 WeakPolarHBondContact O-CG 3.46Å; E114-E118 PolarHBondContact O-N 3.19Å |
| 115 | T | 98.6 | Very high | 97.8 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | H109 K111 S112 E118 E119 | H109-T115 VanDerWaalsContact CE1-CG2 3.47Å; H109-T115 WeakPolarHBondContact CE1-CG2 3.16Å; K111-T115 HydrophobicContact CD-CG2 4.18Å; S112-T115 PolarHBondContact O-N 3.21Å; S112-T115 PolarHBondContact OG-N 2.95Å; S112-T115 VanDerWaalsContact OG-N 3.12Å; S112-T115 PolarHBondContact OG-OG1 3.26Å; S112-T115 VanDerWaalsContact OG-OG1 3.13Å; T115-E118 PolarHBondContact O-N 3.35Å; T115-E119 HydrophobicContact CG2-CG 4.11Å; T115-E119 WeakPolarHBondContact CG2-OE1 3.43Å; T115-E119 WeakPolarHBondContact O-CB 3.36Å; T115-E119 VanDerWaalsContact O-CG 3.28Å; T115-E119 WeakPolarHBondContact O-CG 3.21Å; T115-E119 PolarHBondContact O-N 3.42Å |
| 116 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.8 | -51.9 | 174.2 | 174.4 | -95 | 0 | 0 | 0 | 111.7 | V102 L105 A106 H109 S112 A113 E114 E118 E119 V120 E402 V403 A406 | V102-F116 HydrophobicContact CG1-CE1 4.27Å; L105-F116 HydrophobicContact CB-CE2 4.15Å; L105-F116 HydrophobicContact CB-CZ 3.77Å; A106-F116 VanDerWaalsContact CA-CD1 3.48Å; A106-F116 HydrophobicContact CB-CB 4.11Å; A106-F116 HydrophobicContact CB-CD1 3.36Å; A106-F116 HydrophobicContact CB-CE1 3.9Å; A106-F116 HydrophobicContact CB-CG 3.86Å; H109-F116 HydrophobicContact CB-CB 3.73Å; H109-F116 HydrophobicContact CB-CD2 4.2Å; H109-F116 HydrophobicContact CB-CG 4.38Å; S112-F116 PolarHBondContact O-N 3.17Å; S112-F116 VanDerWaalsContact O-N 3.16Å; A113-F116 WeakPolarHBondContact O-CB 3.48Å; A113-F116 PolarHBondContact O-N 3.36Å; E114-F116 VanDerWaalsContact C-N 3.26Å; E114-F116 PolarHBondContact O-N 2.78Å; F116-E118 VanDerWaalsContact C-N 3.33Å; F116-E118 PolarHBondContact O-N 3.45Å; F116-E119 PolarHBondContact O-N 3.37Å; F116-V120 HydrophobicContact CD1-CG2 4.16Å; F116-V120 HydrophobicContact CD2-CG2 4.42Å; F116-V120 HydrophobicContact CE1-CG2 3.83Å; F116-V120 HydrophobicContact CE2-CG2 4.09Å; F116-V120 HydrophobicContact CG-CG2 4.45Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 VanDerWaalsContact O-CG2 3.28Å; F116-V120 WeakPolarHBondContact O-CG2 3.27Å; F116-V120 PolarHBondContact O-N 2.74Å; F116-E402 HydrophobicContact CE2-CB 3.87Å; F116-V403 HydrophobicContact CD2-CG2 3.62Å; F116-V403 HydrophobicContact CE2-CG2 3.88Å; F116-A406 HydrophobicContact CE1-CB 4.47Å; F116-A406 HydrophobicContact CZ-CB 3.76Å |
| 117 | H | 98.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | -178.6 | -68.9 | -61.8 | 0 | 0 | 0 | 112.6 | D103 A113 E114 A121 | D103-H117 IonicContact OD1-CE1 3.29Å; A113-H117 PolarHBondContact O-CD2 2.78Å; A113-H117 PolarHBondContact O-N 2.9Å; A113-H117 VanDerWaalsContact O-N 3.12Å; E114-H117 PolarHBondContact O-N 3.24Å; E114-H117 VanDerWaalsContact O-N 3.16Å; H117-A121 WeakPolarHBondContact O-CB 3.27Å; H117-A121 PolarHBondContact O-N 2.98Å |
| 118 | E | 98.5 | Very high | 97.9 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 173 | -70.5 | 178.5 | 156.9 | 0 | 0 | 111.5 | E114 T115 F116 V120 A121 F122 | E114-E118 WeakPolarHBondContact O-CG 3.46Å; E114-E118 PolarHBondContact O-N 3.19Å; T115-E118 PolarHBondContact O-N 3.35Å; F116-E118 VanDerWaalsContact C-N 3.33Å; F116-E118 PolarHBondContact O-N 3.45Å; E118-V120 VanDerWaalsContact C-N 3.35Å; E118-V120 PolarHBondContact O-N 3.14Å; E118-A121 PolarHBondContact O-N 3.24Å; E118-F122 HydrophobicContact CB-CD2 4.5Å; E118-F122 HydrophobicContact CB-CE2 4.19Å; E118-F122 WeakPolarHBondContact O-CD2 3.42Å; E118-F122 WeakPolarHBondContact O-CG 3.34Å; E118-F122 PolarHBondContact O-N 3.06Å |
| 119 | E | 98.7 | Very high | 98 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -37.2 | -179.5 | -70.3 | 179.2 | 177 | 0 | 0 | 112.6 | H109 T115 F116 F122 T123 V398 G399 V403 | H109-E119 IonicContact CD2-OE2 3.92Å; H109-E119 IonicContact NE2-OE1 2.93Å; H109-E119 IonicContact NE2-OE2 3.82Å; H109-E119 PolarHBondContact NE2-OE2 3.27Å; H109-E119 VanDerWaalsContact NE2-OE2 3.15Å; T115-E119 HydrophobicContact CG2-CG 4.11Å; T115-E119 WeakPolarHBondContact CG2-OE1 3.43Å; T115-E119 WeakPolarHBondContact O-CB 3.36Å; T115-E119 VanDerWaalsContact O-CG 3.28Å; T115-E119 WeakPolarHBondContact O-CG 3.21Å; T115-E119 PolarHBondContact O-N 3.42Å; F116-E119 PolarHBondContact O-N 3.37Å; E119-F122 PolarHBondContact O-N 3.17Å; E119-T123 WeakPolarHBondContact O-CB 3.48Å; E119-T123 PolarHBondContact O-N 3.48Å; E119-T123 PolarHBondContact O-OG1 2.65Å; E119-V398 HydrophobicContact CB-CG1 4.27Å; E119-V398 WeakPolarHBondContact OE2-CA 3.46Å; E119-G399 PolarHBondContact OE1-N 3.14Å; E119-G399 PolarHBondContact OE2-N 3.13Å; E119-V403 HydrophobicContact CB-CG1 3.86Å; E119-V403 HydrophobicContact CB-CG2 4.21Å |
| 120 | V | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 171.2 | 170.6 | 0 | 0 | 0 | 0 | 110 | F116 E118 F122 T123 E124 V403 A406 | F116-V120 HydrophobicContact CD1-CG2 4.16Å; F116-V120 HydrophobicContact CD2-CG2 4.42Å; F116-V120 HydrophobicContact CE1-CG2 3.83Å; F116-V120 HydrophobicContact CE2-CG2 4.09Å; F116-V120 HydrophobicContact CG-CG2 4.45Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 VanDerWaalsContact O-CG2 3.28Å; F116-V120 WeakPolarHBondContact O-CG2 3.27Å; F116-V120 PolarHBondContact O-N 2.74Å; E118-V120 VanDerWaalsContact C-N 3.35Å; E118-V120 PolarHBondContact O-N 3.14Å; V120-F122 PolarHBondContact O-N 3.32Å; V120-T123 PolarHBondContact O-N 3.3Å; V120-E124 HydrophobicContact CG1-CG 4.28Å; V120-E124 WeakPolarHBondContact O-CB 3.49Å; V120-E124 WeakPolarHBondContact O-CG 3.34Å; V120-E124 PolarHBondContact O-N 2.84Å; V120-V403 HydrophobicContact CG2-CB 4.3Å; V120-V403 HydrophobicContact CG2-CG1 3.86Å; V120-V403 HydrophobicContact CG2-CG2 4.39Å; V120-A406 HydrophobicContact CG1-CB 4.22Å; V120-A406 HydrophobicContact CG2-CB 3.69Å |
| 121 | A | 98.2 | Very high | 98.2 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H117 E118 A125 | H117-A121 WeakPolarHBondContact O-CB 3.27Å; H117-A121 PolarHBondContact O-N 2.98Å; E118-A121 PolarHBondContact O-N 3.24Å; A121-A125 WeakPolarHBondContact O-CB 3.41Å; A121-A125 PolarHBondContact O-N 3.44Å |
| 122 | F | 98 | Very high | 98.2 | Very high | 139 Ų | 139 | 48.5 Ų | 48.5 | 61% | 0.61 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 176.3 | -70.7 | -53.7 | 0 | 0 | 0 | 112.3 | E118 E119 V120 A125 M126 | E118-F122 HydrophobicContact CB-CD2 4.5Å; E118-F122 HydrophobicContact CB-CE2 4.19Å; E118-F122 WeakPolarHBondContact O-CD2 3.42Å; E118-F122 WeakPolarHBondContact O-CG 3.34Å; E118-F122 PolarHBondContact O-N 3.06Å; E119-F122 PolarHBondContact O-N 3.17Å; V120-F122 PolarHBondContact O-N 3.32Å; F122-A125 PolarHBondContact O-N 3.35Å; F122-M126 PolarHBondContact O-N 3.37Å; F122-M126 VanDerWaalsContact O-N 3.15Å |
| 123 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 179.6 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | E119 V120 A125 M126 L127 T396 V398 L404 A407 | E119-T123 WeakPolarHBondContact O-CB 3.48Å; E119-T123 PolarHBondContact O-N 3.48Å; E119-T123 PolarHBondContact O-OG1 2.65Å; V120-T123 PolarHBondContact O-N 3.3Å; T123-A125 VanDerWaalsContact C-N 3.34Å; T123-A125 PolarHBondContact O-N 3.07Å; T123-M126 PolarHBondContact O-N 3.2Å; T123-L127 HydrophobicContact CG2-CD1 4.25Å; T123-L127 HydrophobicContact CG2-CG 4.4Å; T123-L127 WeakPolarHBondContact O-CB 3.41Å; T123-L127 VanDerWaalsContact O-CG 3.28Å; T123-L127 WeakPolarHBondContact O-CG 3.47Å; T123-L127 PolarHBondContact O-N 2.95Å; T123-T396 PolarHBondContact OG1-OG1 3.41Å; T123-T396 VanDerWaalsContact OG1-OG1 3.13Å; T123-V398 WeakPolarHBondContact OG1-CG1 3.2Å; T123-L404 HydrophobicContact CG2-CD2 4.49Å; T123-A407 HydrophobicContact CG2-CB 3.63Å |
| 124 | E | 98.2 | Very high | 98.1 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 170.3 | -80.1 | -169 | -170.6 | 0 | 0 | 112 | V120 M126 L127 K128 A407 G410 | V120-E124 HydrophobicContact CG1-CG 4.28Å; V120-E124 WeakPolarHBondContact O-CB 3.49Å; V120-E124 WeakPolarHBondContact O-CG 3.34Å; V120-E124 PolarHBondContact O-N 2.84Å; E124-M126 PolarHBondContact O-N 3.09Å; E124-L127 PolarHBondContact O-N 3.1Å; E124-K128 VanDerWaalsContact O-CG 3.26Å; E124-K128 WeakPolarHBondContact O-CG 3.42Å; E124-K128 PolarHBondContact O-N 3.36Å; E124-K128 IonicContact OE2-NZ 2.84Å; E124-A407 HydrophobicContact CG-CB 4.01Å; E124-G410 WeakPolarHBondContact OE1-CA 3.38Å |
| 125 | A | 98.1 | Very high | 98.1 | Very high | 59 Ų | 59 | 44.5 Ų | 44.5 | 49% | 0.488 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A121 F122 T123 K128 Q129 | A121-A125 WeakPolarHBondContact O-CB 3.41Å; A121-A125 PolarHBondContact O-N 3.44Å; F122-A125 PolarHBondContact O-N 3.35Å; T123-A125 VanDerWaalsContact C-N 3.34Å; T123-A125 PolarHBondContact O-N 3.07Å; A125-K128 PolarHBondContact O-N 3.41Å; A125-Q129 PolarHBondContact O-N 2.76Å |
| 126 | M | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 174.1 | -173.1 | -173.5 | 66.8 | 0 | 0 | 111.2 | F122 T123 E124 K128 Q129 I130 Y372 T374 T396 | F122-M126 PolarHBondContact O-N 3.37Å; F122-M126 VanDerWaalsContact O-N 3.15Å; T123-M126 PolarHBondContact O-N 3.2Å; E124-M126 PolarHBondContact O-N 3.09Å; M126-K128 VanDerWaalsContact C-N 3.31Å; M126-K128 PolarHBondContact O-N 3.48Å; M126-Q129 WeakPolarHBondContact O-CB 3.18Å; M126-Q129 PolarHBondContact O-N 3.42Å; M126-Q129 VanDerWaalsContact O-N 3.16Å; M126-I130 HydrophobicContact CE-CD1 4.27Å; M126-I130 HydrophobicContact CG-CD1 4.16Å; M126-I130 WeakPolarHBondContact O-CG1 3.39Å; M126-I130 PolarHBondContact O-N 3.11Å; M126-Y372 HydrophobicContact CG-CD1 3.79Å; M126-Y372 HydrophobicContact CG-CE1 4.44Å; M126-Y372 HydrophobicContact SD-CD1 4.08Å; M126-T374 WeakPolarHBondContact CE-OG1 3.45Å; M126-T396 HydrophobicContact CB-CG2 4.24Å; M126-T396 HydrophobicContact CE-CG2 4.2Å; M126-T396 HydrophobicContact SD-CG2 4.09Å |
| 127 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -35.8 | 178.4 | -73.3 | 180 | 0 | 0 | 0 | 112.5 | T123 E124 Q129 I130 M131 W348 A407 I411 | T123-L127 HydrophobicContact CG2-CD1 4.25Å; T123-L127 HydrophobicContact CG2-CG 4.4Å; T123-L127 WeakPolarHBondContact O-CB 3.41Å; T123-L127 VanDerWaalsContact O-CG 3.28Å; T123-L127 WeakPolarHBondContact O-CG 3.47Å; T123-L127 PolarHBondContact O-N 2.95Å; E124-L127 PolarHBondContact O-N 3.1Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.21Å; L127-I130 HydrophobicContact CD2-CD1 4.17Å; L127-I130 PolarHBondContact O-N 3.34Å; L127-M131 WeakPolarHBondContact O-CB 3.26Å; L127-M131 WeakPolarHBondContact O-CG 3.44Å; L127-M131 PolarHBondContact O-N 2.65Å; L127-W348 HydrophobicContact CD1-CH2 3.97Å; L127-W348 HydrophobicContact CD1-CZ2 4.4Å; L127-W348 HydrophobicContact CD1-CZ3 4.4Å; L127-W348 HydrophobicContact CD2-CD2 3.8Å; L127-W348 HydrophobicContact CD2-CE3 3.67Å; L127-W348 HydrophobicContact CD2-CH2 3.65Å; L127-W348 HydrophobicContact CD2-CZ2 3.75Å; L127-W348 HydrophobicContact CD2-CZ3 3.6Å; L127-W348 HydrophobicContact CG-CH2 4.33Å; L127-W348 HydrophobicContact CG-CZ2 4.41Å; L127-A407 HydrophobicContact CD1-CB 3.9Å; L127-I411 HydrophobicContact CB-CD1 3.68Å; L127-I411 HydrophobicContact CB-CG1 3.68Å; L127-I411 HydrophobicContact CD1-CG1 3.92Å; L127-I411 HydrophobicContact CG-CG1 4.46Å |
| 128 | K | 97.9 | Very high | 98.1 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.9 | -73.3 | 173.3 | -153.4 | -162.1 | 0 | 111.3 | E124 A125 M126 M131 S132 I411 E414 | E124-K128 VanDerWaalsContact O-CG 3.26Å; E124-K128 WeakPolarHBondContact O-CG 3.42Å; E124-K128 PolarHBondContact O-N 3.36Å; E124-K128 IonicContact OE2-NZ 2.84Å; A125-K128 PolarHBondContact O-N 3.41Å; M126-K128 VanDerWaalsContact C-N 3.31Å; M126-K128 PolarHBondContact O-N 3.48Å; K128-M131 PolarHBondContact O-N 3.08Å; K128-S132 WeakPolarHBondContact O-CB 3.32Å; K128-S132 PolarHBondContact O-N 3.48Å; K128-I411 HydrophobicContact CB-CD1 4.45Å; K128-I411 HydrophobicContact CG-CD1 3.51Å; K128-E414 WeakPolarHBondContact CE-OE2 3.31Å; K128-E414 IonicContact NZ-OE2 3.27Å; K128-E414 PolarHBondContact NZ-OE2 2.93Å |
| 129 | Q | 97.2 | Very high | 98.1 | Very high | 67 Ų | 67 | 34.8 Ų | 34.8 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 173.1 | 174.4 | 171.4 | -25.9 | 0 | 0 | 110.9 | A125 M126 L127 M131 S132 L133 Y372 | A125-Q129 PolarHBondContact O-N 2.76Å; M126-Q129 WeakPolarHBondContact O-CB 3.18Å; M126-Q129 PolarHBondContact O-N 3.42Å; M126-Q129 VanDerWaalsContact O-N 3.16Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.21Å; Q129-M131 VanDerWaalsContact C-N 3.31Å; Q129-M131 PolarHBondContact O-N 3.24Å; Q129-S132 WeakPolarHBondContact O-CB 3.41Å; Q129-S132 PolarHBondContact O-N 3.06Å; Q129-S132 VanDerWaalsContact O-N 3.13Å; Q129-S132 PolarHBondContact O-OG 3.44Å; Q129-L133 HydrophobicContact CG-CD1 4.45Å; Q129-L133 WeakPolarHBondContact O-CG 3.26Å; Q129-L133 PolarHBondContact O-N 2.79Å; Q129-Y372 HydrophobicContact CG-CE1 4.3Å; Q129-Y372 PolarHBondContact NE2-OH 2.95Å |
| 130 | I | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.9 | -45.2 | 175.9 | -65.3 | 174.8 | 0 | 0 | 0 | 111.1 | M126 L127 S132 L133 G134 L135 V346 W348 Y372 | M126-I130 HydrophobicContact CE-CD1 4.27Å; M126-I130 HydrophobicContact CG-CD1 4.16Å; M126-I130 WeakPolarHBondContact O-CG1 3.39Å; M126-I130 PolarHBondContact O-N 3.11Å; L127-I130 HydrophobicContact CD2-CD1 4.17Å; L127-I130 PolarHBondContact O-N 3.34Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 2.96Å; I130-L133 PolarHBondContact O-N 3.36Å; I130-G134 PolarHBondContact O-N 3.17Å; I130-L135 HydrophobicContact CG2-CB 3.8Å; I130-L135 HydrophobicContact CG2-CD1 3.7Å; I130-L135 HydrophobicContact CG2-CD2 4.34Å; I130-L135 HydrophobicContact CG2-CG 4.15Å; I130-V346 HydrophobicContact CG2-CG1 3.86Å; I130-W348 HydrophobicContact CD1-CB 4.22Å; I130-W348 HydrophobicContact CD1-CG 4.16Å; I130-Y372 VanDerWaalsContact CD1-CB 3.42Å; I130-Y372 HydrophobicContact CD1-CD1 3.84Å; I130-Y372 HydrophobicContact CD1-CD2 3.97Å; I130-Y372 HydrophobicContact CD1-CG 3.47Å; I130-Y372 VanDerWaalsContact CD1-CG 3.47Å; I130-Y372 HydrophobicContact CG1-CD1 3.67Å; I130-Y372 HydrophobicContact CG1-CD2 3.64Å; I130-Y372 HydrophobicContact CG1-CE1 3.97Å; I130-Y372 HydrophobicContact CG1-CE2 3.94Å; I130-Y372 HydrophobicContact CG1-CG 3.5Å |
| 131 | M | 97.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 178.7 | -74.1 | -53.9 | 102.4 | 0 | 0 | 112.4 | L127 K128 Q129 L133 G134 L135 F169 C173 I411 K415 | L127-M131 WeakPolarHBondContact O-CB 3.26Å; L127-M131 WeakPolarHBondContact O-CG 3.44Å; L127-M131 PolarHBondContact O-N 2.65Å; K128-M131 PolarHBondContact O-N 3.08Å; Q129-M131 VanDerWaalsContact C-N 3.31Å; Q129-M131 PolarHBondContact O-N 3.24Å; M131-L133 VanDerWaalsContact C-N 3.28Å; M131-L133 PolarHBondContact O-N 2.78Å; M131-G134 PolarHBondContact O-N 2.96Å; M131-L135 HydrophobicContact CE-CB 3.43Å; M131-L135 VanDerWaalsContact CE-CB 3.43Å; M131-L135 HydrophobicContact CE-CD2 3.53Å; M131-L135 HydrophobicContact CE-CG 4.12Å; M131-F169 HydrophobicContact CE-CZ 4.24Å; M131-C173 HydrophobicContact CE-CB 4.43Å; M131-C173 HydrophobicContact SD-CB 4.09Å; M131-I411 HydrophobicContact CG-CG2 3.64Å; M131-I411 HydrophobicContact SD-CG2 4.09Å; M131-K415 PolarHBondContact SD-NZ 2.72Å; M131-K415 VanDerWaalsContact SD-NZ 3.37Å |
| 132 | S | 97.1 | Very high | 98 | Very high | 95 Ų | 95 | 30.8 Ų | 30.8 | 66% | 0.664 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -67.8 | -30 | 177 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | K128 Q129 I130 | K128-S132 WeakPolarHBondContact O-CB 3.32Å; K128-S132 PolarHBondContact O-N 3.48Å; Q129-S132 WeakPolarHBondContact O-CB 3.41Å; Q129-S132 PolarHBondContact O-N 3.06Å; Q129-S132 VanDerWaalsContact O-N 3.13Å; Q129-S132 PolarHBondContact O-OG 3.44Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 2.96Å |
| 133 | L | 97.2 | Very high | 97.7 | Very high | 88 Ų | 88 | 25.1 Ų | 25.1 | 46% | 0.461 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -85.5 | -15.1 | 175.8 | -61.2 | 172.9 | 0 | 0 | 0 | 112.8 | Q129 I130 M131 V346 Y372 | Q129-L133 HydrophobicContact CG-CD1 4.45Å; Q129-L133 WeakPolarHBondContact O-CG 3.26Å; Q129-L133 PolarHBondContact O-N 2.79Å; I130-L133 PolarHBondContact O-N 3.36Å; M131-L133 VanDerWaalsContact C-N 3.28Å; M131-L133 PolarHBondContact O-N 2.78Å; L133-V346 HydrophobicContact CB-CG2 3.59Å; L133-Y372 HydrophobicContact CD1-CE2 4.26Å; L133-Y372 WeakPolarHBondContact CD1-OH 3.48Å |
| 134 | G | 97 | Very high | 97.4 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 42% | 0.423 | 16% | 0.157 | S | C | . | . | trans | 83.8 | 98.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | I130 M131 G136 V346 | I130-G134 PolarHBondContact O-N 3.17Å; M131-G134 PolarHBondContact O-N 2.96Å; G134-G136 PolarHBondContact O-N 2.9Å; G134-G136 VanDerWaalsContact O-N 3.07Å; G134-V346 WeakPolarHBondContact O-CB 3.42Å; G134-V346 WeakPolarHBondContact O-CG2 3.42Å | ||
| 135 | L | 98.2 | Very high | 97.3 | Very high | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 110.3 | 177.8 | 179 | 56.3 | 0 | 0 | 0 | 111.1 | I130 M131 I137 F138 F169 C173 S174 S175 W348 | I130-L135 HydrophobicContact CG2-CB 3.8Å; I130-L135 HydrophobicContact CG2-CD1 3.7Å; I130-L135 HydrophobicContact CG2-CD2 4.34Å; I130-L135 HydrophobicContact CG2-CG 4.15Å; M131-L135 HydrophobicContact CE-CB 3.43Å; M131-L135 VanDerWaalsContact CE-CB 3.43Å; M131-L135 HydrophobicContact CE-CD2 3.53Å; M131-L135 HydrophobicContact CE-CG 4.12Å; L135-I137 WeakPolarHBondContact CD1-O 3.37Å; L135-F138 HydrophobicContact CD2-CB 4.22Å; L135-F169 HydrophobicContact CD2-CE1 3.75Å; L135-F169 HydrophobicContact CD2-CZ 3.85Å; L135-C173 WeakPolarHBondContact CB-O 3.44Å; L135-S174 WeakPolarHBondContact O-CA 3.09Å; L135-S175 PolarHBondContact O-N 3.37Å; L135-W348 HydrophobicContact CD1-CB 3.86Å; L135-W348 HydrophobicContact CD2-CE3 4.4Å |
| 136 | G | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -60.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G134 S175 L176 E345 V346 | G134-G136 PolarHBondContact O-N 2.9Å; G134-G136 VanDerWaalsContact O-N 3.07Å; G136-S175 WeakPolarHBondContact O-CB 3.4Å; G136-S175 PolarHBondContact O-N 3.08Å; G136-S175 VanDerWaalsContact O-N 3.09Å; G136-S175 PolarHBondContact O-OG 2.95Å; G136-L176 PolarHBondContact O-N 2.92Å; G136-E345 WeakPolarHBondContact CA-OE2 3.46Å; G136-V346 WeakPolarHBondContact CA-O 3.4Å; G136-V346 PolarHBondContact N-O 3.3Å |
| 137 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.9 | -169.9 | -63.9 | 160.8 | 0 | 0 | 0 | 109.9 | L135 L176 F331 L335 K340 L342 E345 V346 V347 W348 | L135-I137 WeakPolarHBondContact CD1-O 3.37Å; I137-L176 HydrophobicContact CB-CD2 4.48Å; I137-L176 HydrophobicContact CG1-CB 4.39Å; I137-L176 HydrophobicContact CG1-CD2 4.18Å; I137-L176 HydrophobicContact CG2-CD2 3.84Å; I137-F331 HydrophobicContact CG2-CE2 3.83Å; I137-F331 HydrophobicContact CG2-CZ 3.74Å; I137-L335 HydrophobicContact CD1-CD2 3.66Å; I137-K340 HydrophobicContact CD1-CB 4.45Å; I137-L342 HydrophobicContact CD1-CD2 3.8Å; I137-E345 HydrophobicContact CD1-CB 3.78Å; I137-E345 HydrophobicContact CD1-CG 3.92Å; I137-E345 HydrophobicContact CG1-CB 4.12Å; I137-E345 HydrophobicContact CG1-CG 4.27Å; I137-V346 PolarHBondContact N-O 3.48Å; I137-V347 HydrophobicContact CB-CG1 4.22Å; I137-V347 HydrophobicContact CG2-CG1 4.17Å; I137-V347 CarbonylContact O-C 3.54Å; I137-V347 WeakPolarHBondContact O-CA 3.38Å; I137-W348 PolarHBondContact O-N 3.08Å |
| 138 | F | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.5 | 163.6 | 173.9 | -147.8 | 0 | 0 | 0 | 108.6 | L135 T140 M146 L166 F169 L176 C177 A178 W348 C350 M408 | L135-F138 HydrophobicContact CD2-CB 4.22Å; F138-T140 HydrophobicContact CE1-CG2 4.46Å; F138-T140 HydrophobicContact CE2-CG2 4.11Å; F138-T140 HydrophobicContact CZ-CG2 3.79Å; F138-M146 HydrophobicContact CZ-CE 4.17Å; F138-M146 HydrophobicContact CZ-SD 4.34Å; F138-L166 HydrophobicContact CE1-CD1 3.79Å; F138-F169 AromaticContact CD1-CD1 3.91Å; F138-F169 HydrophobicContact CD1-CD1 3.91Å; F138-F169 AromaticContact CD1-CE1 3.89Å; F138-F169 HydrophobicContact CD1-CE1 3.89Å; F138-F169 HydrophobicContact CE1-CD1 4.25Å; F138-F169 HydrophobicContact CE1-CE1 4.41Å; F138-F169 HydrophobicContact CG-CE1 4.37Å; F138-L176 PolarHBondContact N-O 2.92Å; F138-C177 HydrophobicContact CD1-CB 4.5Å; F138-C177 VanDerWaalsContact CD1-SG 3.51Å; F138-C177 CarbonylContact O-C 3.54Å; F138-C177 WeakPolarHBondContact O-CA 3.31Å; F138-A178 PolarHBondContact O-N 2.92Å; F138-W348 WeakPolarHBondContact CA-O 3.49Å; F138-W348 HydrophobicContact CD2-CB 4.46Å; F138-W348 HydrophobicContact CD2-CD2 4Å; F138-W348 AromaticContact CD2-CE3 3.53Å; F138-W348 HydrophobicContact CD2-CE3 3.53Å; F138-W348 HydrophobicContact CD2-CG 4.42Å; F138-W348 HydrophobicContact CD2-CZ3 4.09Å; F138-W348 HydrophobicContact CE1-CZ3 4.39Å; F138-W348 HydrophobicContact CE2-CD2 4.16Å; F138-W348 AromaticContact CE2-CE3 3.75Å; F138-W348 HydrophobicContact CE2-CE3 3.75Å; F138-W348 HydrophobicContact CE2-CH2 4.47Å; F138-W348 AromaticContact CE2-CZ3 3.92Å; F138-W348 HydrophobicContact CE2-CZ3 3.92Å; F138-W348 AromaticContact CG-CE3 3.99Å; F138-W348 HydrophobicContact CG-CE3 3.99Å; F138-W348 HydrophobicContact CG-CZ3 4.45Å; F138-W348 HydrophobicContact CZ-CE3 4.35Å; F138-W348 HydrophobicContact CZ-CZ3 4.09Å; F138-C350 HydrophobicContact CE2-CB 4.37Å; F138-M408 HydrophobicContact CE1-CE 3.59Å; F138-M408 HydrophobicContact CE2-CE 4.43Å; F138-M408 HydrophobicContact CZ-CE 3.44Å; F138-M408 VanDerWaalsContact CZ-CE 3.44Å |
| 139 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.6 | 173.9 | -172.2 | 167.5 | 0 | 0 | 0 | 110.2 | A178 L180 W213 F331 L334 W348 I349 C350 M359 | I139-A178 CarbonylContact C-O 3.49Å; I139-A178 VanDerWaalsContact CA-O 3.29Å; I139-A178 WeakPolarHBondContact CA-O 3.42Å; I139-A178 HydrophobicContact CG1-CB 4.22Å; I139-L180 HydrophobicContact CD1-CD2 4.02Å; I139-L180 HydrophobicContact CG1-CD2 3.78Å; I139-W213 HydrophobicContact CD1-CH2 4.24Å; I139-F331 HydrophobicContact CB-CE2 4.38Å; I139-F331 HydrophobicContact CB-CZ 4.45Å; I139-F331 HydrophobicContact CD1-CB 3.93Å; I139-F331 HydrophobicContact CD1-CD1 4.27Å; I139-F331 HydrophobicContact CD1-CD2 3.38Å; I139-F331 HydrophobicContact CD1-CE2 3.82Å; I139-F331 HydrophobicContact CD1-CG 3.62Å; I139-F331 HydrophobicContact CD1-CZ 4.41Å; I139-F331 HydrophobicContact CG2-CD1 4.39Å; I139-F331 HydrophobicContact CG2-CE1 3.91Å; I139-F331 HydrophobicContact CG2-CE2 4.12Å; I139-F331 HydrophobicContact CG2-CZ 3.73Å; I139-L334 HydrophobicContact CD1-CD2 4.18Å; I139-W348 PolarHBondContact N-O 2.89Å; I139-I349 HydrophobicContact CG2-CB 4.37Å; I139-I349 HydrophobicContact CG2-CD1 4.48Å; I139-I349 HydrophobicContact CG2-CG1 3.77Å; I139-I349 HydrophobicContact CG2-CG2 4.37Å; I139-I349 CarbonylContact O-C 3.52Å; I139-I349 VanDerWaalsContact O-CA 3.3Å; I139-I349 WeakPolarHBondContact O-CA 3.18Å; I139-C350 PolarHBondContact O-N 2.91Å; I139-M359 HydrophobicContact CD1-SD 3.96Å; I139-M359 HydrophobicContact CG1-SD 4.08Å |
| 140 | T | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.5 | -176.1 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | F138 T145 M146 A178 V179 L180 C350 | F138-T140 HydrophobicContact CE1-CG2 4.46Å; F138-T140 HydrophobicContact CE2-CG2 4.11Å; F138-T140 HydrophobicContact CZ-CG2 3.79Å; T140-T145 VanDerWaalsContact OG1-CG2 3.24Å; T140-T145 WeakPolarHBondContact OG1-CG2 3.38Å; T140-M146 HydrophobicContact CG2-CE 4.22Å; T140-M146 HydrophobicContact CG2-CG 3.56Å; T140-M146 HydrophobicContact CG2-SD 3.93Å; T140-M146 WeakPolarHBondContact OG1-CE 3.49Å; T140-A178 PolarHBondContact N-O 2.68Å; T140-V179 HydrophobicContact CG2-CB 4.27Å; T140-V179 HydrophobicContact CG2-CG1 4.36Å; T140-V179 HydrophobicContact CG2-CG2 3.73Å; T140-V179 CarbonylContact O-C 3.3Å; T140-V179 WeakPolarHBondContact O-CA 3.24Å; T140-L180 VanDerWaalsContact O-CD2 3.24Å; T140-L180 WeakPolarHBondContact O-CD2 3.17Å; T140-L180 PolarHBondContact O-N 2.88Å; T140-C350 WeakPolarHBondContact CA-O 3.46Å; T140-C350 VanDerWaalsContact OG1-CB 3.31Å; T140-C350 WeakPolarHBondContact OG1-CB 3.38Å |
| 141 | D | 98.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 160.6 | 156.7 | 175.3 | 62.3 | 0 | 0 | 0 | 111.9 | D143 T145 M146 L180 K327 C350 D356 | D141-D143 PolarHBondContact OD2-N 3.39Å; D141-D143 VanDerWaalsContact OD2-N 3.15Å; D141-T145 WeakPolarHBondContact O-CB 3.05Å; D141-T145 PolarHBondContact OD2-OG1 3.46Å; D141-M146 WeakPolarHBondContact O-CG 3.28Å; D141-L180 CarbonylContact C-O 3.52Å; D141-L180 WeakPolarHBondContact CA-O 3.42Å; D141-K327 VanDerWaalsContact CG-NZ 3.29Å; D141-K327 IonicContact OD1-NZ 3.14Å; D141-K327 PolarHBondContact OD1-NZ 3.16Å; D141-C350 PolarHBondContact N-O 2.96Å; D141-D356 WeakPolarHBondContact CB-OD1 3.31Å |
| 142 | W | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -94 | -64.5 | 179 | -175.3 | -122.4 | 0 | 0 | 0 | 114.3 | T145 M146 K147 Q158 L166 V179 L180 I190 I194 F205 | W142-T145 PolarHBondContact O-N 3.19Å; W142-M146 HydrophobicContact CE3-CB 3.62Å; W142-M146 HydrophobicContact CE3-CG 4.22Å; W142-M146 HydrophobicContact CZ3-CB 3.89Å; W142-M146 PolarHBondContact O-N 3.49Å; W142-K147 HydrophobicContact CZ2-CD 4.19Å; W142-K147 PolarHBondContact O-N 2.95Å; W142-Q158 HydrophobicContact CH2-CB 3.81Å; W142-Q158 HydrophobicContact CH2-CG 3.5Å; W142-Q158 VanDerWaalsContact CH2-CG 3.5Å; W142-Q158 VanDerWaalsContact CH2-NE2 3.34Å; W142-Q158 HydrophobicContact CZ2-CB 3.72Å; W142-Q158 HydrophobicContact CZ2-CG 3.91Å; W142-Q158 HydrophobicContact CZ3-CG 4.41Å; W142-L166 HydrophobicContact CZ3-CD2 4.39Å; W142-V179 HydrophobicContact CB-CG1 4.09Å; W142-V179 HydrophobicContact CD2-CG1 4.06Å; W142-V179 HydrophobicContact CE3-CG1 3.32Å; W142-V179 HydrophobicContact CG-CG1 4.42Å; W142-V179 HydrophobicContact CZ3-CG1 3.91Å; W142-L180 PolarHBondContact N-O 3.01Å; W142-I190 HydrophobicContact CB-CD1 3.92Å; W142-I190 HydrophobicContact CD2-CD1 3.81Å; W142-I190 HydrophobicContact CD2-CG1 4.37Å; W142-I190 HydrophobicContact CE3-CD1 4.41Å; W142-I190 HydrophobicContact CG-CD1 3.59Å; W142-I190 HydrophobicContact CG-CG1 4.3Å; W142-I194 HydrophobicContact CH2-CB 4.31Å; W142-I194 HydrophobicContact CH2-CG2 3.46Å; W142-I194 VanDerWaalsContact CH2-CG2 3.46Å; W142-I194 HydrophobicContact CZ2-CB 4.37Å; W142-I194 HydrophobicContact CZ2-CG2 3.41Å; W142-I194 VanDerWaalsContact CZ2-CG2 3.41Å; W142-I194 HydrophobicContact CZ3-CG2 4.34Å; W142-F205 HydrophobicContact CZ3-CE1 4.41Å |
| 143 | D | 92.5 | Very high | 92 | Very high | 20 Ų | 20 | 21.7 Ų | 21.7 | 11% | 0.107 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -87.3 | 117.8 | -165.3 | -67.1 | -68 | 0 | 0 | 0 | 110.5 | D141 T145 K147 Y149 T181 | D141-D143 PolarHBondContact OD2-N 3.39Å; D141-D143 VanDerWaalsContact OD2-N 3.15Å; D143-T145 VanDerWaalsContact C-N 3.25Å; D143-K147 WeakPolarHBondContact OD1-CE 3.35Å; D143-K147 IonicContact OD1-NZ 2.65Å; D143-K147 PolarHBondContact OD1-NZ 3.41Å; D143-Y149 HydrophobicContact CB-CD2 3.94Å; D143-T181 PolarHBondContact OD2-OG1 2.91Å; D143-T181 VanDerWaalsContact OD2-OG1 3.1Å |
| 144 | G | 92.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 11% | 0.113 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -16.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K147 V376 | G144-K147 CarbonylContact C-O 3.48Å; G144-K147 VanDerWaalsContact CA-O 3.26Å; G144-K147 WeakPolarHBondContact CA-O 3.01Å; G144-K147 PolarHBondContact N-O 3.28Å; G144-V376 WeakPolarHBondContact O-CB 3.46Å; G144-V376 VanDerWaalsContact O-CG1 3.29Å; G144-V376 WeakPolarHBondContact O-CG1 2.86Å |
| 145 | T | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -63 | -177.3 | -52.1 | 0 | 0 | 0 | 0 | 113 | T140 D141 W142 D143 C350 G351 D352 V376 P401 L404 | T140-T145 VanDerWaalsContact OG1-CG2 3.24Å; T140-T145 WeakPolarHBondContact OG1-CG2 3.38Å; D141-T145 WeakPolarHBondContact O-CB 3.05Å; D141-T145 PolarHBondContact OD2-OG1 3.46Å; W142-T145 PolarHBondContact O-N 3.19Å; D143-T145 VanDerWaalsContact C-N 3.25Å; T145-C350 HydrophobicContact CG2-CB 3.65Å; T145-G351 VanDerWaalsContact OG1-C 3.26Å; T145-G351 WeakPolarHBondContact OG1-CA 3.31Å; T145-D352 PolarHBondContact OG1-N 3.27Å; T145-V376 HydrophobicContact CG2-CG2 4.13Å; T145-P401 VanDerWaalsContact O-CB 3.24Å; T145-P401 WeakPolarHBondContact O-CB 3.49Å; T145-L404 HydrophobicContact CG2-CD1 4.04Å |
| 146 | M | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -12 | 179.1 | -73.1 | -65.4 | 104.1 | 0 | 0 | 113.3 | F138 T140 D141 W142 S162 L166 L404 H405 M408 | F138-M146 HydrophobicContact CZ-CE 4.17Å; F138-M146 HydrophobicContact CZ-SD 4.34Å; T140-M146 HydrophobicContact CG2-CE 4.22Å; T140-M146 HydrophobicContact CG2-CG 3.56Å; T140-M146 HydrophobicContact CG2-SD 3.93Å; T140-M146 WeakPolarHBondContact OG1-CE 3.49Å; D141-M146 WeakPolarHBondContact O-CG 3.28Å; W142-M146 HydrophobicContact CE3-CB 3.62Å; W142-M146 HydrophobicContact CE3-CG 4.22Å; W142-M146 HydrophobicContact CZ3-CB 3.89Å; W142-M146 PolarHBondContact O-N 3.49Å; M146-S162 PolarHBondContact O-OG 3.41Å; M146-L166 HydrophobicContact SD-CD1 4.21Å; M146-L404 HydrophobicContact CE-CB 4.33Å; M146-L404 HydrophobicContact CE-CD1 3.51Å; M146-L404 HydrophobicContact CE-CG 4.47Å; M146-H405 PolarHBondContact O-NE2 2.92Å; M146-M408 HydrophobicContact CE-CE 4.14Å; M146-M408 HydrophobicContact SD-CE 4.35Å |
| 147 | K | 92.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.022 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -158 | 164.3 | 171.6 | 60.9 | 167.6 | -170.2 | 70.2 | 0 | 108.9 | W142 D143 G144 S156 | W142-K147 HydrophobicContact CZ2-CD 4.19Å; W142-K147 PolarHBondContact O-N 2.95Å; D143-K147 WeakPolarHBondContact OD1-CE 3.35Å; D143-K147 IonicContact OD1-NZ 2.65Å; D143-K147 PolarHBondContact OD1-NZ 3.41Å; G144-K147 CarbonylContact C-O 3.48Å; G144-K147 VanDerWaalsContact CA-O 3.26Å; G144-K147 WeakPolarHBondContact CA-O 3.01Å; G144-K147 PolarHBondContact N-O 3.28Å; K147-S156 VanDerWaalsContact CE-O 3.24Å; K147-S156 WeakPolarHBondContact CE-O 3.44Å; K147-S156 PolarHBondContact NZ-OG 3.17Å |
| 148 | T | 88.4 | Confident | 90.4 | Very high | 56 Ų | 56 | 18 Ų | 18 | 34% | 0.344 | 9% | 0.091 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 145.6 | 173.3 | -46 | 0 | 0 | 0 | 0 | 110.9 | ||
| 149 | Y | 78.3 | Confident | 90.4 | Very high | 140 Ų | 140 | 18.7 Ų | 18.7 | 55% | 0.549 | 10% | 0.095 | S | C | . | . | P | Polyproline II helix | trans | -73.7 | 122.7 | 169.5 | -176.4 | -85.7 | 0 | 0 | 0 | 109.5 | D143 | D143-Y149 HydrophobicContact CB-CD2 3.94Š|
| 150 | C | 77 | Confident | 90.3 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 8% | 0.081 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -97.6 | 160.9 | 177.6 | -56 | 0 | 0 | 0 | 0 | 111.6 | N152 S156 | C150-N152 PolarHBondContact O-N 3.46Å; C150-N152 VanDerWaalsContact O-N 3.12Å; C150-S156 WeakPolarHBondContact CB-OG 3.45Å; C150-S156 PolarHBondContact SG-OG 3.45Å |
| 151 | S | 70.6 | Confident | 90.2 | Very high | 42 Ų | 42 | 18.8 Ų | 18.8 | 29% | 0.294 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -62.6 | -20 | -178.2 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | N73 | N73-S151 PolarHBondContact O-OG 3.07Š|
| 152 | N | 83 | Confident | 90.2 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -134.9 | 125.9 | -178.5 | -164.6 | -49 | 0 | 0 | 0 | 110.8 | Y12 L72 C150 R154 T155 S156 M256 | Y12-N152 VanDerWaalsContact OH-CG 3.31Å; Y12-N152 PolarHBondContact OH-ND2 3.28Å; Y12-N152 PolarHBondContact OH-OD1 3.31Å; Y12-N152 VanDerWaalsContact OH-OD1 3.13Å; L72-N152 HydrophobicContact CD2-CB 4.36Å; C150-N152 PolarHBondContact O-N 3.46Å; C150-N152 VanDerWaalsContact O-N 3.12Å; N152-R154 VanDerWaalsContact C-N 3.26Å; N152-R154 PolarHBondContact O-N 2.87Å; N152-R154 PolarHBondContact OD1-N 3.31Å; N152-R154 VanDerWaalsContact OD1-N 3.14Å; N152-T155 HydrophobicContact CB-CG2 4.34Å; N152-T155 PolarHBondContact O-N 3.19Å; N152-T155 PolarHBondContact O-OG1 2.8Å; N152-S156 PolarHBondContact O-N 3.41Å; N152-M256 PolarHBondContact ND2-O 3.49Å |
| 153 | Y | 85.5 | Confident | 90.3 | Very high | 21 Ų | 21 | 18.6 Ų | 18.6 | 8% | 0.082 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -57.6 | -41.7 | -176.7 | 179 | -107.5 | 0 | 0 | 0 | 112.1 | T155 S156 F188 I190 L193 G258 | Y153-T155 VanDerWaalsContact C-N 3.33Å; Y153-T155 PolarHBondContact O-N 3.25Å; Y153-S156 PolarHBondContact O-N 2.9Å; Y153-F188 HydrophobicContact CD1-CD1 4.43Å; Y153-F188 HydrophobicContact CD1-CE1 4.17Å; Y153-F188 HydrophobicContact CE1-CD1 4.18Å; Y153-F188 HydrophobicContact CE1-CE1 4.12Å; Y153-I190 PolarHBondContact OH-N 3.22Å; Y153-L193 HydrophobicContact CD1-CD1 4.39Å; Y153-L193 HydrophobicContact CD2-CD1 4.3Å; Y153-L193 HydrophobicContact CE1-CD1 3.96Å; Y153-L193 HydrophobicContact CE2-CD1 3.85Å; Y153-L193 WeakPolarHBondContact O-CD1 3.45Å; Y153-G258 PolarHBondContact N-O 3.4Å |
| 154 | R | 87.7 | Confident | 90.5 | Very high | 49 Ų | 49 | 17.7 Ų | 17.7 | 19% | 0.185 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -76.6 | -16.4 | -171 | -64.2 | -159 | 158.6 | -158.6 | 1.6 | 114.6 | Y12 N152 F188 L255 F261 | Y12-R154 HydrophobicContact CD1-CB 3.88Å; Y12-R154 HydrophobicContact CE1-CB 3.2Å; Y12-R154 HydrophobicContact CE1-CG 3.89Å; N152-R154 VanDerWaalsContact C-N 3.26Å; N152-R154 PolarHBondContact O-N 2.87Å; N152-R154 PolarHBondContact OD1-N 3.31Å; N152-R154 VanDerWaalsContact OD1-N 3.14Å; R154-F188 VanDerWaalsContact CA-CZ 3.49Å; R154-F188 HydrophobicContact CB-CE1 3.65Å; R154-F188 HydrophobicContact CB-CE2 4.26Å; R154-F188 HydrophobicContact CB-CZ 3.44Å; R154-F188 VanDerWaalsContact CB-CZ 3.44Å; R154-F188 HydrophobicContact CG-CD1 3.85Å; R154-F188 HydrophobicContact CG-CE1 3.36Å; R154-F188 HydrophobicContact CG-CE2 4.29Å; R154-F188 HydrophobicContact CG-CZ 3.6Å; R154-F188 WeakPolarHBondContact O-CZ 3.46Å; R154-L255 PolarHBondContact NE-O 3.22Å; R154-F261 PolarHBondContact NH2-O 3.36Å |
| 155 | T | 87.6 | Confident | 90.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -101.4 | -7.6 | 179.4 | 67.3 | 0 | 0 | 0 | 0 | 112 | F11 Y12 M15 E77 N152 Y153 V157 | F11-T155 HydrophobicContact CD1-CG2 4.18Å; F11-T155 HydrophobicContact CE1-CG2 3.71Å; Y12-T155 HydrophobicContact CD2-CG2 4.47Å; Y12-T155 HydrophobicContact CE1-CG2 4.48Å; Y12-T155 HydrophobicContact CE2-CG2 4.02Å; M15-T155 VanDerWaalsContact CE-O 3.28Å; M15-T155 WeakPolarHBondContact CE-O 3.5Å; M15-T155 HydrophobicContact CG-CG2 4.18Å; E77-T155 PolarHBondContact OE1-OG1 3.09Å; N152-T155 HydrophobicContact CB-CG2 4.34Å; N152-T155 PolarHBondContact O-N 3.19Å; N152-T155 PolarHBondContact O-OG1 2.8Å; Y153-T155 VanDerWaalsContact C-N 3.33Å; Y153-T155 PolarHBondContact O-N 3.25Å; T155-V157 PolarHBondContact O-N 3.49Å |
| 156 | S | 89.7 | Confident | 90.7 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | trans | -79.1 | 61.6 | -172.1 | -155.4 | 0 | 0 | 0 | 0 | 113 | K147 C150 N152 Y153 | K147-S156 VanDerWaalsContact CE-O 3.24Å; K147-S156 WeakPolarHBondContact CE-O 3.44Å; K147-S156 PolarHBondContact NZ-OG 3.17Å; C150-S156 WeakPolarHBondContact CB-OG 3.45Å; C150-S156 PolarHBondContact SG-OG 3.45Å; N152-S156 PolarHBondContact O-N 3.41Å; Y153-S156 PolarHBondContact O-N 2.9Å | ||
| 157 | V | 94.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 17.3 Ų | 17.3 | 7% | 0.073 | 9% | 0.085 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 134.3 | -178 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | M15 C19 R22 T155 L193 | M15-V157 HydrophobicContact CB-CG2 4.48Å; M15-V157 HydrophobicContact CE-CG2 4.42Å; C19-V157 HydrophobicContact CB-CB 4.45Å; C19-V157 HydrophobicContact CB-CG1 3.52Å; C19-V157 HydrophobicContact CB-CG2 4Å; R22-V157 PolarHBondContact NH1-O 3.1Å; T155-V157 PolarHBondContact O-N 3.49Å; V157-L193 WeakPolarHBondContact CA-O 3.5Å; V157-L193 HydrophobicContact CG2-CD2 4.49Å |
| 158 | Q | 96.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 132.1 | 176 | -166.8 | -172.7 | 12.9 | 0 | 0 | 111.6 | R22 W142 S162 A163 L193 A195 | R22-Q158 WeakPolarHBondContact CD-O 3.41Å; R22-Q158 PolarHBondContact NH1-O 2.93Å; W142-Q158 HydrophobicContact CH2-CB 3.81Å; W142-Q158 HydrophobicContact CH2-CG 3.5Å; W142-Q158 VanDerWaalsContact CH2-CG 3.5Å; W142-Q158 VanDerWaalsContact CH2-NE2 3.34Å; W142-Q158 HydrophobicContact CZ2-CB 3.72Å; W142-Q158 HydrophobicContact CZ2-CG 3.91Å; W142-Q158 HydrophobicContact CZ3-CG 4.41Å; Q158-S162 PolarHBondContact NE2-OG 3.29Å; Q158-S162 VanDerWaalsContact NE2-OG 3.14Å; Q158-A163 VanDerWaalsContact CD-CB 3.5Å; Q158-A163 HydrophobicContact CG-CB 4.34Å; Q158-L193 PolarHBondContact N-O 3.34Å; Q158-A195 HydrophobicContact CB-CB 4.27Å |
| 159 | P | 97.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 15 Ų | 15 | 8% | 0.084 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 149.3 | 167.5 | -23.4 | 34.7 | 0 | 0 | 0 | 112.9 | Y161 S162 A163 | P159-Y161 HydrophobicContact CB-CD1 3.56Å; P159-Y161 HydrophobicContact CB-CE1 3.31Å; P159-Y161 HydrophobicContact CG-CE1 3.9Å; P159-S162 PolarHBondContact O-N 2.96Å; P159-A163 PolarHBondContact O-N 3.23Å; P159-A163 VanDerWaalsContact O-N 3.14Å |
| 160 | A | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R22 I25 V26 D84 S162 A163 Y164 | R22-A160 HydrophobicContact CB-CB 4.12Å; R22-A160 HydrophobicContact CG-CB 4.17Å; I25-A160 HydrophobicContact CG2-CB 4.21Å; V26-A160 HydrophobicContact CG2-CB 4.13Å; V26-A160 WeakPolarHBondContact CG2-O 3.08Å; D84-A160 HydrophobicContact CB-CB 4.34Å; D84-A160 VanDerWaalsContact CG-N 3.29Å; D84-A160 WeakPolarHBondContact OD1-CA 3.43Å; D84-A160 WeakPolarHBondContact OD1-CB 3.4Å; D84-A160 PolarHBondContact OD1-N 3.3Å; D84-A160 PolarHBondContact OD2-N 3Å; A160-S162 VanDerWaalsContact C-N 3.34Å; A160-S162 PolarHBondContact O-N 3.19Å; A160-A163 PolarHBondContact O-N 3.22Å; A160-Y164 WeakPolarHBondContact O-CB 3.34Å; A160-Y164 PolarHBondContact O-N 2.78Å |
| 161 | Y | 96.7 | Very high | 93 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.012 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 178.2 | 76.4 | -90 | 0 | 0 | 0 | 112 | K83 D84 F101 L105 P159 A163 Y164 W165 E402 H405 | K83-Y161 HydrophobicContact CB-CD1 4.16Å; K83-Y161 HydrophobicContact CB-CE1 4Å; K83-Y161 HydrophobicContact CD-CE1 3.94Å; D84-Y161 PolarHBondContact OD1-N 3.36Å; F101-Y161 HydrophobicContact CE1-CD1 4.43Å; F101-Y161 AromaticContact CE1-CD2 3.85Å; F101-Y161 HydrophobicContact CE1-CD2 3.85Å; F101-Y161 AromaticContact CE1-CG 3.7Å; F101-Y161 HydrophobicContact CE1-CG 3.7Å; F101-Y161 HydrophobicContact CZ-CD1 4Å; F101-Y161 HydrophobicContact CZ-CD2 4.18Å; F101-Y161 AromaticContact CZ-CG 3.72Å; F101-Y161 HydrophobicContact CZ-CG 3.72Å; L105-Y161 HydrophobicContact CD1-CE2 4.37Å; P159-Y161 HydrophobicContact CB-CD1 3.56Å; P159-Y161 HydrophobicContact CB-CE1 3.31Å; P159-Y161 HydrophobicContact CG-CE1 3.9Å; Y161-A163 VanDerWaalsContact C-N 3.35Å; Y161-A163 PolarHBondContact O-N 2.9Å; Y161-Y164 PolarHBondContact O-N 3.12Å; Y161-W165 AromaticContact CD2-CE3 3.74Å; Y161-W165 HydrophobicContact CD2-CE3 3.74Å; Y161-W165 AromaticContact CD2-CZ3 3.59Å; Y161-W165 HydrophobicContact CD2-CZ3 3.59Å; Y161-W165 HydrophobicContact CE2-CZ3 4.27Å; Y161-W165 PolarHBondContact O-N 2.89Å; Y161-E402 PolarHBondContact OH-OE1 2.91Å; Y161-E402 VanDerWaalsContact OH-OE1 3.08Å; Y161-H405 HydrophobicContact CE2-CB 4.31Å; Y161-H405 AromaticContact CE2-CD2 3.9Å |
| 162 | S | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.8 | 161.2 | 0 | 0 | 0 | 0 | 110.6 | M146 Q158 P159 A160 L166 H405 | M146-S162 PolarHBondContact O-OG 3.41Å; Q158-S162 PolarHBondContact NE2-OG 3.29Å; Q158-S162 VanDerWaalsContact NE2-OG 3.14Å; P159-S162 PolarHBondContact O-N 2.96Å; A160-S162 VanDerWaalsContact C-N 3.34Å; A160-S162 PolarHBondContact O-N 3.19Å; S162-L166 WeakPolarHBondContact O-CB 3.28Å; S162-L166 PolarHBondContact O-N 2.98Å; S162-L166 VanDerWaalsContact O-N 3.08Å; S162-H405 WeakPolarHBondContact CB-NE2 3.24Å; S162-H405 PolarHBondContact OG-CE1 2.84Å; S162-H405 PolarHBondContact OG-NE2 3.14Å |
| 163 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V26 Q158 P159 A160 Y161 A167 A195 V196 | V26-A163 HydrophobicContact CG1-CB 4.29Å; V26-A163 HydrophobicContact CG2-CB 3.59Å; Q158-A163 VanDerWaalsContact CD-CB 3.5Å; Q158-A163 HydrophobicContact CG-CB 4.34Å; P159-A163 PolarHBondContact O-N 3.23Å; P159-A163 VanDerWaalsContact O-N 3.14Å; A160-A163 PolarHBondContact O-N 3.22Å; Y161-A163 VanDerWaalsContact C-N 3.35Å; Y161-A163 PolarHBondContact O-N 2.9Å; A163-A167 VanDerWaalsContact O-CB 3.26Å; A163-A167 WeakPolarHBondContact O-CB 3.45Å; A163-A167 PolarHBondContact O-N 3.1Å; A163-A195 HydrophobicContact CB-CB 3.72Å; A163-V196 HydrophobicContact CB-CG2 3.79Å |
| 164 | Y | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.2 | -53.1 | -179.1 | 175.1 | -104.9 | 0 | 0 | 0 | 111.6 | L29 L30 F87 M91 A160 Y161 L166 A167 I168 T419 I420 | L29-Y164 HydrophobicContact CB-CD2 3.59Å; L29-Y164 HydrophobicContact CB-CE2 3.51Å; L29-Y164 HydrophobicContact CB-CG 4.5Å; L29-Y164 HydrophobicContact CD1-CD2 4.24Å; L29-Y164 HydrophobicContact CD1-CG 4.39Å; L30-Y164 HydrophobicContact CD2-CD2 3.85Å; L30-Y164 HydrophobicContact CD2-CE2 3.96Å; L30-Y164 HydrophobicContact CG-CD2 4.31Å; F87-Y164 HydrophobicContact CE2-CD1 4.3Å; F87-Y164 AromaticContact CZ-CD1 3.58Å; F87-Y164 HydrophobicContact CZ-CD1 3.58Å; F87-Y164 HydrophobicContact CZ-CE1 4.3Å; F87-Y164 AromaticContact CZ-CG 3.95Å; F87-Y164 HydrophobicContact CZ-CG 3.95Å; M91-Y164 HydrophobicContact CE-CE1 3.68Å; A160-Y164 WeakPolarHBondContact O-CB 3.34Å; A160-Y164 PolarHBondContact O-N 2.78Å; Y161-Y164 PolarHBondContact O-N 3.12Å; Y164-L166 PolarHBondContact O-N 3.13Å; Y164-A167 PolarHBondContact O-N 2.92Å; Y164-I168 HydrophobicContact CD1-CG1 4.49Å; Y164-I168 HydrophobicContact CD2-CG1 4.17Å; Y164-I168 HydrophobicContact CE1-CG1 4.12Å; Y164-I168 HydrophobicContact CE2-CD1 3.93Å; Y164-I168 HydrophobicContact CE2-CG1 3.75Å; Y164-I168 WeakPolarHBondContact O-CG1 3.45Å; Y164-I168 PolarHBondContact O-N 2.94Å; Y164-T419 HydrophobicContact CE1-CG2 4.3Å; Y164-T419 WeakPolarHBondContact OH-CA 3.33Å; Y164-I420 PolarHBondContact OH-N 2.64Å |
| 165 | W | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | -177.8 | -70.6 | -33.5 | 0 | 0 | 0 | 112.8 | F87 F101 V102 L105 Y161 A167 I168 F169 H405 E409 M412 | F87-W165 HydrophobicContact CE2-CZ2 4.42Å; F101-W165 AromaticContact CD1-CH2 3.29Å; F101-W165 HydrophobicContact CD1-CH2 3.29Å; F101-W165 AromaticContact CD1-CZ2 3.63Å; F101-W165 HydrophobicContact CD1-CZ2 3.63Å; F101-W165 HydrophobicContact CD1-CZ3 4.14Å; F101-W165 AromaticContact CE1-CH2 3.47Å; F101-W165 HydrophobicContact CE1-CH2 3.47Å; F101-W165 VanDerWaalsContact CE1-CH2 3.47Å; F101-W165 HydrophobicContact CE1-CZ2 4.1Å; F101-W165 AromaticContact CE1-CZ3 3.85Å; F101-W165 HydrophobicContact CE1-CZ3 3.85Å; V102-W165 HydrophobicContact CG2-CH2 3.82Å; V102-W165 HydrophobicContact CG2-CZ2 4.15Å; L105-W165 HydrophobicContact CD1-CH2 3.89Å; L105-W165 HydrophobicContact CD1-CZ3 3.76Å; Y161-W165 AromaticContact CD2-CE3 3.74Å; Y161-W165 HydrophobicContact CD2-CE3 3.74Å; Y161-W165 AromaticContact CD2-CZ3 3.59Å; Y161-W165 HydrophobicContact CD2-CZ3 3.59Å; Y161-W165 HydrophobicContact CE2-CZ3 4.27Å; Y161-W165 PolarHBondContact O-N 2.89Å; W165-A167 VanDerWaalsContact C-N 3.32Å; W165-A167 PolarHBondContact O-N 3.16Å; W165-I168 PolarHBondContact O-N 2.99Å; W165-F169 WeakPolarHBondContact O-CB 3.31Å; W165-F169 PolarHBondContact O-N 2.93Å; W165-H405 HydrophobicContact CE3-CB 3.56Å; W165-H405 HydrophobicContact CZ3-CB 3.68Å; W165-E409 HydrophobicContact CD2-CB 4.42Å; W165-E409 HydrophobicContact CH2-CB 4.49Å; W165-E409 HydrophobicContact CZ2-CB 4Å; W165-E409 HydrophobicContact CZ2-CG 3.8Å; W165-M412 HydrophobicContact CB-CE 4.12Å; W165-M412 HydrophobicContact CG-CE 4.19Å |
| 166 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 172.1 | 177.1 | 62 | 0 | 0 | 0 | 111.5 | F138 W142 M146 S162 Y164 F169 A170 V179 V196 V203 | F138-L166 HydrophobicContact CE1-CD1 3.79Å; W142-L166 HydrophobicContact CZ3-CD2 4.39Å; M146-L166 HydrophobicContact SD-CD1 4.21Å; S162-L166 WeakPolarHBondContact O-CB 3.28Å; S162-L166 PolarHBondContact O-N 2.98Å; S162-L166 VanDerWaalsContact O-N 3.08Å; Y164-L166 PolarHBondContact O-N 3.13Å; L166-F169 PolarHBondContact O-N 2.91Å; L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.19Å; L166-V179 HydrophobicContact CD1-CG2 4.39Å; L166-V179 HydrophobicContact CD2-CG2 3.87Å; L166-V196 HydrophobicContact CD2-CG2 4.23Å; L166-V203 HydrophobicContact CD2-CG1 4.47Å; L166-V203 HydrophobicContact CG-CG2 4.35Å |
| 167 | A | 96.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L30 A163 Y164 W165 K171 V196 A201 | L30-A167 HydrophobicContact CD1-CB 3.92Å; L30-A167 HydrophobicContact CD2-CB 3.93Å; A163-A167 VanDerWaalsContact O-CB 3.26Å; A163-A167 WeakPolarHBondContact O-CB 3.45Å; A163-A167 PolarHBondContact O-N 3.1Å; Y164-A167 PolarHBondContact O-N 2.92Å; W165-A167 VanDerWaalsContact C-N 3.32Å; W165-A167 PolarHBondContact O-N 3.16Å; A167-K171 WeakPolarHBondContact O-CB 3.5Å; A167-K171 PolarHBondContact O-N 3.03Å; A167-K171 VanDerWaalsContact O-N 3.16Å; A167-V196 HydrophobicContact CB-CG1 4.47Å; A167-A201 HydrophobicContact CB-CB 4.25Å |
| 168 | I | 95.7 | Very high | 96.8 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 6% | 0.056 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 174.9 | -60.7 | -67.9 | 0 | 0 | 0 | 110 | L30 Y164 W165 A170 K171 F172 M412 I417 | L30-I168 HydrophobicContact CD2-CD1 3.39Å; L30-I168 HydrophobicContact CD2-CG1 3.82Å; Y164-I168 HydrophobicContact CD1-CG1 4.49Å; Y164-I168 HydrophobicContact CD2-CG1 4.17Å; Y164-I168 HydrophobicContact CE1-CG1 4.12Å; Y164-I168 HydrophobicContact CE2-CD1 3.93Å; Y164-I168 HydrophobicContact CE2-CG1 3.75Å; Y164-I168 WeakPolarHBondContact O-CG1 3.45Å; Y164-I168 PolarHBondContact O-N 2.94Å; W165-I168 PolarHBondContact O-N 2.99Å; I168-A170 PolarHBondContact O-N 3.26Å; I168-K171 PolarHBondContact O-N 2.85Å; I168-K171 VanDerWaalsContact O-N 3.11Å; I168-F172 HydrophobicContact CD1-CE2 4.44Å; I168-F172 HydrophobicContact CG2-CD2 3.7Å; I168-F172 HydrophobicContact CG2-CE2 4.04Å; I168-F172 VanDerWaalsContact O-CD2 3.29Å; I168-F172 WeakPolarHBondContact O-CD2 3.32Å; I168-F172 PolarHBondContact O-N 2.97Å; I168-F172 VanDerWaalsContact O-N 3.1Å; I168-M412 HydrophobicContact CB-CE 4.48Å; I168-M412 HydrophobicContact CB-SD 3.71Å; I168-M412 HydrophobicContact CG2-CE 4.42Å; I168-M412 HydrophobicContact CG2-CG 4.5Å; I168-M412 HydrophobicContact CG2-SD 3.3Å; I168-M412 WeakPolarHBondContact CG2-SD 3.24Å; I168-I417 HydrophobicContact CG2-CG2 3.74Å |
| 169 | F | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 179.4 | -171 | -87.5 | 0 | 0 | 0 | 111.3 | M131 L135 F138 W165 L166 K171 F172 C173 W348 M408 M412 | M131-F169 HydrophobicContact CE-CZ 4.24Å; L135-F169 HydrophobicContact CD2-CE1 3.75Å; L135-F169 HydrophobicContact CD2-CZ 3.85Å; F138-F169 AromaticContact CD1-CD1 3.91Å; F138-F169 HydrophobicContact CD1-CD1 3.91Å; F138-F169 AromaticContact CD1-CE1 3.89Å; F138-F169 HydrophobicContact CD1-CE1 3.89Å; F138-F169 HydrophobicContact CE1-CD1 4.25Å; F138-F169 HydrophobicContact CE1-CE1 4.41Å; F138-F169 HydrophobicContact CG-CE1 4.37Å; W165-F169 WeakPolarHBondContact O-CB 3.31Å; W165-F169 PolarHBondContact O-N 2.93Å; L166-F169 PolarHBondContact O-N 2.91Å; F169-K171 PolarHBondContact O-N 3.07Å; F169-F172 PolarHBondContact O-N 3.34Å; F169-C173 HydrophobicContact CD1-CB 3.99Å; F169-C173 HydrophobicContact CD2-CB 3.7Å; F169-C173 HydrophobicContact CE1-CB 3.89Å; F169-C173 HydrophobicContact CE2-CB 3.61Å; F169-C173 HydrophobicContact CG-CB 3.9Å; F169-C173 HydrophobicContact CZ-CB 3.71Å; F169-C173 WeakPolarHBondContact O-CA 3.22Å; F169-C173 VanDerWaalsContact O-CB 3.24Å; F169-C173 WeakPolarHBondContact O-CB 3.23Å; F169-C173 PolarHBondContact O-N 3.41Å; F169-W348 HydrophobicContact CE1-CE3 4.2Å; F169-W348 AromaticContact CE1-CZ3 3.88Å; F169-W348 HydrophobicContact CE1-CZ3 3.88Å; F169-W348 HydrophobicContact CZ-CE3 4.17Å; F169-W348 AromaticContact CZ-CZ3 3.73Å; F169-W348 HydrophobicContact CZ-CZ3 3.73Å; F169-M408 HydrophobicContact CB-CG 4.46Å; F169-M408 HydrophobicContact CB-SD 4.15Å; F169-M408 HydrophobicContact CD1-SD 4.41Å; F169-M408 HydrophobicContact CD2-CB 3.71Å; F169-M408 HydrophobicContact CD2-CG 3.61Å; F169-M408 HydrophobicContact CD2-SD 4.31Å; F169-M408 HydrophobicContact CE2-CB 4.26Å; F169-M408 HydrophobicContact CE2-CG 3.9Å; F169-M408 HydrophobicContact CG-CB 4.29Å; F169-M408 HydrophobicContact CG-CG 3.96Å; F169-M408 HydrophobicContact CG-SD 4.04Å; F169-M408 HydrophobicContact CZ-CG 4.48Å; F169-M412 HydrophobicContact CB-SD 3.99Å; F169-M412 HydrophobicContact CD2-CG 4.36Å; F169-M412 HydrophobicContact CD2-SD 4.46Å; F169-M412 PolarHBondContact N-SD 2.87Å |
| 170 | A | 96.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.7 | -30.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | L166 I168 C177 N202 V203 | L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.19Å; I168-A170 PolarHBondContact O-N 3.26Å; A170-C177 HydrophobicContact CB-CB 3.4Å; A170-N202 PolarHBondContact O-ND2 3.33Å; A170-V203 HydrophobicContact CB-CG2 3.46Å; A170-V203 VanDerWaalsContact CB-CG2 3.46Å |
| 171 | K | 95.1 | Very high | 96.9 | Very high | 128 Ų | 128 | 16.1 Ų | 16.1 | 56% | 0.557 | 8% | 0.081 | S | C | * | . | H | α-helix | trans | -77.7 | -36.9 | 179.6 | -179.2 | 172.3 | 177.6 | 175.6 | 0 | 112.8 | A167 I168 F169 | A167-K171 WeakPolarHBondContact O-CB 3.5Å; A167-K171 PolarHBondContact O-N 3.03Å; A167-K171 VanDerWaalsContact O-N 3.16Å; I168-K171 PolarHBondContact O-N 2.85Å; I168-K171 VanDerWaalsContact O-N 3.11Å; F169-K171 PolarHBondContact O-N 3.07Å |
| 172 | F | 95.3 | Very high | 96.8 | Very high | 101 Ų | 101 | 17.3 Ų | 17.3 | 44% | 0.443 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -117.5 | -18.1 | -167.1 | -64.5 | -71.8 | 0 | 0 | 0 | 115 | I168 F169 I417 | I168-F172 HydrophobicContact CD1-CE2 4.44Å; I168-F172 HydrophobicContact CG2-CD2 3.7Å; I168-F172 HydrophobicContact CG2-CE2 4.04Å; I168-F172 VanDerWaalsContact O-CD2 3.29Å; I168-F172 WeakPolarHBondContact O-CD2 3.32Å; I168-F172 PolarHBondContact O-N 2.97Å; I168-F172 VanDerWaalsContact O-N 3.1Å; F169-F172 PolarHBondContact O-N 3.34Å; F172-I417 HydrophobicContact CB-CD1 3.51Å; F172-I417 HydrophobicContact CB-CG1 4.14Å; F172-I417 HydrophobicContact CB-CG2 4.33Å; F172-I417 HydrophobicContact CD2-CG2 3.58Å; F172-I417 HydrophobicContact CE2-CG2 3.97Å; F172-I417 HydrophobicContact CG-CD1 4.25Å; F172-I417 HydrophobicContact CG-CG1 4.38Å; F172-I417 HydrophobicContact CG-CG2 3.98Å |
| 173 | C | 96.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 5% | 0.054 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -19.5 | -170.3 | -61.9 | 0 | 0 | 0 | 0 | 114 | M131 L135 F169 | M131-C173 HydrophobicContact CE-CB 4.43Å; M131-C173 HydrophobicContact SD-CB 4.09Å; L135-C173 WeakPolarHBondContact CB-O 3.44Å; F169-C173 HydrophobicContact CD1-CB 3.99Å; F169-C173 HydrophobicContact CD2-CB 3.7Å; F169-C173 HydrophobicContact CE1-CB 3.89Å; F169-C173 HydrophobicContact CE2-CB 3.61Å; F169-C173 HydrophobicContact CG-CB 3.9Å; F169-C173 HydrophobicContact CZ-CB 3.71Å; F169-C173 WeakPolarHBondContact O-CA 3.22Å; F169-C173 VanDerWaalsContact O-CB 3.24Å; F169-C173 WeakPolarHBondContact O-CB 3.23Å; F169-C173 PolarHBondContact O-N 3.41Å |
| 174 | S | 96 | Very high | 96.6 | Very high | 11 Ų | 11 | 17.5 Ų | 17.5 | 8% | 0.077 | 9% | 0.094 | C | C | . | . | trans | -131.8 | 154.3 | 176.9 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | L135 L176 | L135-S174 WeakPolarHBondContact O-CA 3.09Å; S174-L176 PolarHBondContact OG-O 3.48Å | ||
| 175 | S | 95.9 | Very high | 96.6 | Very high | 57 Ų | 57 | 17.6 Ų | 17.6 | 40% | 0.399 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -82 | -26.4 | 174.6 | 81.5 | 0 | 0 | 0 | 0 | 113 | L135 G136 K340 | L135-S175 PolarHBondContact O-N 3.37Å; G136-S175 WeakPolarHBondContact O-CB 3.4Å; G136-S175 PolarHBondContact O-N 3.08Å; G136-S175 VanDerWaalsContact O-N 3.09Å; G136-S175 PolarHBondContact O-OG 2.95Å; S175-K340 PolarHBondContact OG-NZ 2.98Å |
| 176 | L | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 18.6 Ų | 18.6 | 6% | 0.058 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 122.3 | 173.7 | -179.1 | 113.2 | 0 | 0 | 0 | 107.9 | G136 I137 F138 S174 I204 L334 T338 K340 | G136-L176 PolarHBondContact O-N 2.92Å; I137-L176 HydrophobicContact CB-CD2 4.48Å; I137-L176 HydrophobicContact CG1-CB 4.39Å; I137-L176 HydrophobicContact CG1-CD2 4.18Å; I137-L176 HydrophobicContact CG2-CD2 3.84Å; F138-L176 PolarHBondContact N-O 2.92Å; S174-L176 PolarHBondContact OG-O 3.48Å; L176-I204 HydrophobicContact CD1-CD1 3.76Å; L176-I204 HydrophobicContact CG-CD1 4.42Å; L176-L334 HydrophobicContact CD2-CD2 4.03Å; L176-L334 HydrophobicContact CD2-CG 4.49Å; L176-T338 HydrophobicContact CD1-CG2 3.69Å; L176-K340 HydrophobicContact CD1-CG 4.18Å |
| 177 | C | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | F138 A170 I204 | F138-C177 HydrophobicContact CD1-CB 4.5Å; F138-C177 VanDerWaalsContact CD1-SG 3.51Å; F138-C177 CarbonylContact O-C 3.54Å; F138-C177 WeakPolarHBondContact O-CA 3.31Å; A170-C177 HydrophobicContact CB-CB 3.4Å; C177-I204 PolarHBondContact O-N 3.05Å |
| 178 | A | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F138 I139 T140 I204 W213 L334 | F138-A178 PolarHBondContact O-N 2.92Å; I139-A178 CarbonylContact C-O 3.49Å; I139-A178 VanDerWaalsContact CA-O 3.29Å; I139-A178 WeakPolarHBondContact CA-O 3.42Å; I139-A178 HydrophobicContact CG1-CB 4.22Å; T140-A178 PolarHBondContact N-O 2.68Å; A178-I204 CarbonylContact C-O 3.52Å; A178-I204 VanDerWaalsContact CA-O 3.24Å; A178-I204 WeakPolarHBondContact CA-O 3.42Å; A178-I204 HydrophobicContact CB-CB 4.27Å; A178-W213 HydrophobicContact CB-CH2 4.24Å; A178-W213 HydrophobicContact CB-CZ3 3.88Å; A178-L334 HydrophobicContact CB-CD2 3.41Å; A178-L334 VanDerWaalsContact CB-CD2 3.41Å |
| 179 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.4 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | T140 W142 L166 I190 V203 I204 F205 G206 | T140-V179 HydrophobicContact CG2-CB 4.27Å; T140-V179 HydrophobicContact CG2-CG1 4.36Å; T140-V179 HydrophobicContact CG2-CG2 3.73Å; T140-V179 CarbonylContact O-C 3.3Å; T140-V179 WeakPolarHBondContact O-CA 3.24Å; W142-V179 HydrophobicContact CB-CG1 4.09Å; W142-V179 HydrophobicContact CD2-CG1 4.06Å; W142-V179 HydrophobicContact CE3-CG1 3.32Å; W142-V179 HydrophobicContact CG-CG1 4.42Å; W142-V179 HydrophobicContact CZ3-CG1 3.91Å; L166-V179 HydrophobicContact CD1-CG2 4.39Å; L166-V179 HydrophobicContact CD2-CG2 3.87Å; V179-I190 HydrophobicContact CG1-CD1 4.14Å; V179-V203 HydrophobicContact CG2-CG1 3.76Å; V179-I204 PolarHBondContact N-O 3.29Å; V179-F205 HydrophobicContact CB-CD1 3.85Å; V179-F205 HydrophobicContact CB-CE1 3.85Å; V179-F205 HydrophobicContact CG1-CD1 4.13Å; V179-F205 HydrophobicContact CG1-CE1 4.03Å; V179-F205 HydrophobicContact CG2-CE1 4.13Å; V179-F205 CarbonylContact O-C 3.53Å; V179-F205 WeakPolarHBondContact O-CA 3.44Å; V179-G206 PolarHBondContact O-N 3.3Å |
| 180 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.5 | 178.2 | 72.1 | 162.8 | 0 | 0 | 0 | 112.8 | I139 T140 D141 W142 G206 W213 K327 M359 | I139-L180 HydrophobicContact CD1-CD2 4.02Å; I139-L180 HydrophobicContact CG1-CD2 3.78Å; T140-L180 VanDerWaalsContact O-CD2 3.24Å; T140-L180 WeakPolarHBondContact O-CD2 3.17Å; T140-L180 PolarHBondContact O-N 2.88Å; D141-L180 CarbonylContact C-O 3.52Å; D141-L180 WeakPolarHBondContact CA-O 3.42Å; W142-L180 PolarHBondContact N-O 3.01Å; L180-G206 VanDerWaalsContact CA-O 3.31Å; L180-G206 WeakPolarHBondContact CA-O 3.28Å; L180-W213 HydrophobicContact CB-CH2 3.64Å; L180-W213 HydrophobicContact CB-CZ2 4.38Å; L180-W213 HydrophobicContact CB-CZ3 4.01Å; L180-W213 HydrophobicContact CD1-CH2 4.17Å; L180-W213 HydrophobicContact CD1-CZ2 4.31Å; L180-W213 HydrophobicContact CD2-CH2 4.2Å; L180-W213 HydrophobicContact CG-CH2 4.22Å; L180-K327 HydrophobicContact CD1-CB 3.83Å; L180-K327 HydrophobicContact CD1-CD 3.99Å; L180-K327 HydrophobicContact CD1-CG 3.71Å; L180-K327 HydrophobicContact CG-CD 4.27Å; L180-M359 HydrophobicContact CD1-SD 4.15Å; L180-M359 HydrophobicContact CD2-CE 4.14Å; L180-M359 HydrophobicContact CD2-SD 3.51Å; L180-M359 VanDerWaalsContact CD2-SD 3.51Å; L180-M359 HydrophobicContact CG-SD 4.39Å |
| 181 | T | 96.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | trans | -125.4 | 160.9 | 171.3 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | D143 G183 I190 G206 W209 | D143-T181 PolarHBondContact OD2-OG1 2.91Å; D143-T181 VanDerWaalsContact OD2-OG1 3.1Å; T181-G183 WeakPolarHBondContact CG2-O 3.3Å; T181-G183 PolarHBondContact OG1-N 2.91Å; T181-G183 VanDerWaalsContact OG1-N 3.1Å; T181-I190 HydrophobicContact CG2-CB 3.75Å; T181-I190 HydrophobicContact CG2-CD1 3.87Å; T181-I190 HydrophobicContact CG2-CG1 4.29Å; T181-I190 HydrophobicContact CG2-CG2 4.19Å; T181-G206 PolarHBondContact N-O 3.19Å; T181-G206 VanDerWaalsContact N-O 3.08Å; T181-W209 PolarHBondContact O-N 3.33Å | ||
| 182 | A | 94.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 25.3 Ų | 25.3 | 23% | 0.231 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -69.5 | -23.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W209 K264 | A182-W209 HydrophobicContact CB-CD2 4.22Å; A182-W209 HydrophobicContact CB-CG 4.3Å; A182-W209 HydrophobicContact CB-CZ2 4.08Å; A182-W209 VanDerWaalsContact CB-NE1 3.26Å; A182-K264 WeakPolarHBondContact O-CD 3.22Å; A182-K264 WeakPolarHBondContact O-CE 3.48Å; A182-K264 PolarHBondContact O-NZ 2.89Å |
| 183 | G | 94.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -71.2 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T181 G207 S208 | T181-G183 WeakPolarHBondContact CG2-O 3.3Å; T181-G183 PolarHBondContact OG1-N 2.91Å; T181-G183 VanDerWaalsContact OG1-N 3.1Å; G183-G207 CarbonylContact O-C 3.54Å; G183-G207 WeakPolarHBondContact O-CA 3.16Å; G183-S208 PolarHBondContact O-N 3.31Å |
| 184 | P | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | trans | -70.8 | 160.7 | -178.9 | 31.1 | -35.7 | 0 | 0 | 0 | 112.6 | F188 G189 I190 Q262 R263 | P184-F188 WeakPolarHBondContact CG-O 3.25Å; P184-G189 CarbonylContact O-C 3.6Å; P184-G189 WeakPolarHBondContact O-CA 3.36Å; P184-I190 PolarHBondContact O-N 2.9Å; P184-Q262 HydrophobicContact CG-CB 4.28Å; P184-R263 WeakPolarHBondContact CB-O 3.45Å | ||
| 185 | L | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -74 | -51.6 | 176.3 | -178 | 65 | 0 | 0 | 0 | 111.4 | I190 L191 F205 E212 L214 R219 | L185-I190 HydrophobicContact CD1-CG2 3.98Å; L185-I190 PolarHBondContact O-N 3.29Å; L185-L191 HydrophobicContact CD1-CD1 4.05Å; L185-L191 HydrophobicContact CD1-CD2 4.27Å; L185-L191 HydrophobicContact CD1-CG 3.96Å; L185-L191 HydrophobicContact CG-CD1 3.88Å; L185-L191 HydrophobicContact CG-CG 4.23Å; L185-L191 WeakPolarHBondContact O-CB 3.31Å; L185-L191 WeakPolarHBondContact O-CG 3.26Å; L185-L191 PolarHBondContact O-N 2.98Å; L185-L191 VanDerWaalsContact O-N 3.16Å; L185-F205 HydrophobicContact CD1-CB 4.14Å; L185-F205 VanDerWaalsContact CD1-O 3.28Å; L185-F205 WeakPolarHBondContact CD1-O 3.48Å; L185-E212 HydrophobicContact CB-CG 3.73Å; L185-E212 WeakPolarHBondContact CB-OE1 3.45Å; L185-E212 HydrophobicContact CD2-CB 4.33Å; L185-E212 HydrophobicContact CD2-CG 4.28Å; L185-E212 PolarHBondContact N-OE1 2.98Å; L185-L214 HydrophobicContact CD1-CB 4.34Å; L185-L214 HydrophobicContact CD2-CB 4.3Å; L185-R219 HydrophobicContact CD2-CG 4.03Å |
| 186 | G | 93.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 17 Ų | 17 | 23% | 0.227 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -131 | -159.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F188 G189 | G186-F188 VanDerWaalsContact C-N 3.29Å; G186-F188 CarbonylContact O-C 3.55Å; G186-F188 PolarHBondContact O-N 3.31Å; G186-G189 PolarHBondContact O-N 3.33Å |
| 187 | D | 84.9 | Confident | 95.6 | Very high | 140 Ų | 140 | 17.1 Ų | 17.1 | 75% | 0.749 | 10% | 0.1 | S | C | * | . | S | Bend | trans | 50.4 | 49.7 | -175.2 | -62.7 | -35.2 | 0 | 0 | 0 | 112.5 | ||
| 188 | F | 90.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 18.9 Ų | 18.9 | 22% | 0.215 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 60.9 | 89.2 | -155.9 | -156.2 | -71.1 | 0 | 0 | 0 | 112.6 | Y153 R154 P184 G186 N192 L193 | Y153-F188 HydrophobicContact CD1-CD1 4.43Å; Y153-F188 HydrophobicContact CD1-CE1 4.17Å; Y153-F188 HydrophobicContact CE1-CD1 4.18Å; Y153-F188 HydrophobicContact CE1-CE1 4.12Å; R154-F188 VanDerWaalsContact CA-CZ 3.49Å; R154-F188 HydrophobicContact CB-CE1 3.65Å; R154-F188 HydrophobicContact CB-CE2 4.26Å; R154-F188 HydrophobicContact CB-CZ 3.44Å; R154-F188 VanDerWaalsContact CB-CZ 3.44Å; R154-F188 HydrophobicContact CG-CD1 3.85Å; R154-F188 HydrophobicContact CG-CE1 3.36Å; R154-F188 HydrophobicContact CG-CE2 4.29Å; R154-F188 HydrophobicContact CG-CZ 3.6Å; R154-F188 WeakPolarHBondContact O-CZ 3.46Å; P184-F188 WeakPolarHBondContact CG-O 3.25Å; G186-F188 VanDerWaalsContact C-N 3.29Å; G186-F188 CarbonylContact O-C 3.55Å; G186-F188 PolarHBondContact O-N 3.31Å; F188-N192 VanDerWaalsContact CA-OD1 3.24Å; F188-N192 WeakPolarHBondContact CA-OD1 3.34Å; F188-N192 HydrophobicContact CE2-CB 4.46Å; F188-L193 HydrophobicContact CE1-CD2 4.2Å; F188-L193 HydrophobicContact CE1-CG 4.46Å; F188-L193 HydrophobicContact CZ-CD2 4.05Å |
| 189 | G | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -147.6 | -161.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P184 G186 L191 N192 | P184-G189 CarbonylContact O-C 3.6Å; P184-G189 WeakPolarHBondContact O-CA 3.36Å; G186-G189 PolarHBondContact O-N 3.33Å; G189-L191 PolarHBondContact O-N 3.5Å; G189-L191 VanDerWaalsContact O-N 3.1Å; G189-N192 PolarHBondContact N-OD1 2.83Å; G189-N192 WeakPolarHBondContact O-CB 3.36Å; G189-N192 PolarHBondContact O-N 3.12Å |
| 190 | I | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.9 | -34.3 | -177.9 | -169.2 | 168.6 | 0 | 0 | 0 | 112.7 | W142 Y153 V179 T181 P184 L185 N192 L193 I194 F205 | W142-I190 HydrophobicContact CB-CD1 3.92Å; W142-I190 HydrophobicContact CD2-CD1 3.81Å; W142-I190 HydrophobicContact CD2-CG1 4.37Å; W142-I190 HydrophobicContact CE3-CD1 4.41Å; W142-I190 HydrophobicContact CG-CD1 3.59Å; W142-I190 HydrophobicContact CG-CG1 4.3Å; Y153-I190 PolarHBondContact OH-N 3.22Å; V179-I190 HydrophobicContact CG1-CD1 4.14Å; T181-I190 HydrophobicContact CG2-CB 3.75Å; T181-I190 HydrophobicContact CG2-CD1 3.87Å; T181-I190 HydrophobicContact CG2-CG1 4.29Å; T181-I190 HydrophobicContact CG2-CG2 4.19Å; P184-I190 PolarHBondContact O-N 2.9Å; L185-I190 HydrophobicContact CD1-CG2 3.98Å; L185-I190 PolarHBondContact O-N 3.29Å; I190-N192 PolarHBondContact O-N 3.19Å; I190-L193 PolarHBondContact O-N 3.08Å; I190-I194 HydrophobicContact CD1-CG2 4.43Å; I190-I194 HydrophobicContact CG1-CG2 3.69Å; I190-I194 VanDerWaalsContact O-CG2 3.28Å; I190-I194 WeakPolarHBondContact O-CG2 3.39Å; I190-I194 PolarHBondContact O-N 3.48Å; I190-F205 HydrophobicContact CD1-CD1 3.95Å; I190-F205 HydrophobicContact CG1-CD1 4.31Å; I190-F205 HydrophobicContact CG2-CB 4.48Å |
| 191 | L | 96.2 | Very high | 93.4 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -22.7 | 177.7 | -64 | 179.9 | 0 | 0 | 0 | 113.6 | R23 L185 G189 I194 V198 F205 L214 | R23-L191 PolarHBondContact NH2-O 3.05Å; R23-L191 VanDerWaalsContact NH2-O 3.16Å; L185-L191 HydrophobicContact CD1-CD1 4.05Å; L185-L191 HydrophobicContact CD1-CD2 4.27Å; L185-L191 HydrophobicContact CD1-CG 3.96Å; L185-L191 HydrophobicContact CG-CD1 3.88Å; L185-L191 HydrophobicContact CG-CG 4.23Å; L185-L191 WeakPolarHBondContact O-CB 3.31Å; L185-L191 WeakPolarHBondContact O-CG 3.26Å; L185-L191 PolarHBondContact O-N 2.98Å; L185-L191 VanDerWaalsContact O-N 3.16Å; G189-L191 PolarHBondContact O-N 3.5Å; G189-L191 VanDerWaalsContact O-N 3.1Å; L191-I194 HydrophobicContact CD2-CD1 3.78Å; L191-V198 HydrophobicContact CD2-CG1 3.99Å; L191-F205 HydrophobicContact CD2-CB 4Å; L191-F205 HydrophobicContact CD2-CD2 4.49Å; L191-F205 HydrophobicContact CD2-CG 4.33Å; L191-L214 HydrophobicContact CD1-CD2 4.17Å; L191-L214 HydrophobicContact CD2-CD2 3.87Å |
| 192 | N | 94.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -83 | -17.2 | 174.2 | -59.4 | 95.8 | 0 | 0 | 0 | 112.7 | C19 F188 G189 I190 | C19-N192 PolarHBondContact SG-O 2.96Å; F188-N192 VanDerWaalsContact CA-OD1 3.24Å; F188-N192 WeakPolarHBondContact CA-OD1 3.34Å; F188-N192 HydrophobicContact CE2-CB 4.46Å; G189-N192 PolarHBondContact N-OD1 2.83Å; G189-N192 WeakPolarHBondContact O-CB 3.36Å; G189-N192 PolarHBondContact O-N 3.12Å; I190-N192 PolarHBondContact O-N 3.19Å |
| 193 | L | 95.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -106.7 | -19.3 | -172.1 | -60.4 | 173.3 | 0 | 0 | 0 | 113.2 | Y153 V157 Q158 F188 I190 | Y153-L193 HydrophobicContact CD1-CD1 4.39Å; Y153-L193 HydrophobicContact CD2-CD1 4.3Å; Y153-L193 HydrophobicContact CE1-CD1 3.96Å; Y153-L193 HydrophobicContact CE2-CD1 3.85Å; Y153-L193 WeakPolarHBondContact O-CD1 3.45Å; V157-L193 WeakPolarHBondContact CA-O 3.5Å; V157-L193 HydrophobicContact CG2-CD2 4.49Å; Q158-L193 PolarHBondContact N-O 3.34Å; F188-L193 HydrophobicContact CE1-CD2 4.2Å; F188-L193 HydrophobicContact CE1-CG 4.46Å; F188-L193 HydrophobicContact CZ-CD2 4.05Å; I190-L193 PolarHBondContact O-N 3.08Å |
| 194 | I | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -79.5 | 139.5 | -179.1 | 59.2 | 173 | 0 | 0 | 0 | 112.1 | C19 R23 W142 I190 L191 V198 F205 | C19-I194 PolarHBondContact SG-O 2.89Å; C19-I194 VanDerWaalsContact SG-O 3.41Å; R23-I194 PolarHBondContact NE-O 3.47Å; R23-I194 PolarHBondContact NH2-O 3.35Å; W142-I194 HydrophobicContact CH2-CB 4.31Å; W142-I194 HydrophobicContact CH2-CG2 3.46Å; W142-I194 VanDerWaalsContact CH2-CG2 3.46Å; W142-I194 HydrophobicContact CZ2-CB 4.37Å; W142-I194 HydrophobicContact CZ2-CG2 3.41Å; W142-I194 VanDerWaalsContact CZ2-CG2 3.41Å; W142-I194 HydrophobicContact CZ3-CG2 4.34Å; I190-I194 HydrophobicContact CD1-CG2 4.43Å; I190-I194 HydrophobicContact CG1-CG2 3.69Å; I190-I194 VanDerWaalsContact O-CG2 3.28Å; I190-I194 WeakPolarHBondContact O-CG2 3.39Å; I190-I194 PolarHBondContact O-N 3.48Å; L191-I194 HydrophobicContact CD2-CD1 3.78Å; I194-V198 HydrophobicContact CD1-CG1 3.24Å; I194-F205 HydrophobicContact CB-CE1 4.33Å; I194-F205 HydrophobicContact CB-CZ 4.36Å; I194-F205 HydrophobicContact CD1-CD1 4.19Å; I194-F205 HydrophobicContact CD1-CD2 3.83Å; I194-F205 HydrophobicContact CD1-CE1 4.02Å; I194-F205 HydrophobicContact CD1-CE2 3.64Å; I194-F205 HydrophobicContact CD1-CG 4.09Å; I194-F205 HydrophobicContact CD1-CZ 3.73Å; I194-F205 HydrophobicContact CG2-CD1 4.01Å; I194-F205 HydrophobicContact CG2-CE1 3.51Å; I194-F205 HydrophobicContact CG2-CZ 4.03Å | ||
| 195 | A | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -92.8 | -7.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | R22 R23 V26 Q158 A163 P197 | R22-A195 HydrophobicContact CB-CB 3.65Å; R23-A195 VanDerWaalsContact CA-O 3.29Å; R23-A195 WeakPolarHBondContact CA-O 3.21Å; V26-A195 HydrophobicContact CG2-CB 4.43Å; Q158-A195 HydrophobicContact CB-CB 4.27Å; A163-A195 HydrophobicContact CB-CB 3.72Å; A195-P197 WeakPolarHBondContact O-CD 3.39Å | ||
| 196 | V | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -63.4 | 126.7 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 110 | A163 L166 A167 V198 A201 V203 F205 | A163-V196 HydrophobicContact CB-CG2 3.79Å; L166-V196 HydrophobicContact CD2-CG2 4.23Å; A167-V196 HydrophobicContact CB-CG1 4.47Å; V196-V198 PolarHBondContact O-N 3.01Å; V196-V198 VanDerWaalsContact O-N 3.1Å; V196-A201 HydrophobicContact CG1-CB 3.27Å; V196-V203 HydrophobicContact CG1-CB 4.49Å; V196-V203 HydrophobicContact CG1-CG2 4.39Å; V196-F205 HydrophobicContact CB-CE2 4.17Å; V196-F205 HydrophobicContact CB-CZ 3.86Å; V196-F205 HydrophobicContact CG1-CE2 4.02Å; V196-F205 HydrophobicContact CG1-CZ 4.11Å; V196-F205 HydrophobicContact CG2-CZ 4.05Å |
| 197 | P | 95.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | trans | -75.1 | 95.9 | 171.4 | 29.9 | -32.4 | 0 | 0 | 0 | 109.7 | R23 V26 A27 L30 A195 E199 D200 A201 | R23-P197 HydrophobicContact CG-CB 4.37Å; V26-P197 HydrophobicContact CG1-CG 4.34Å; A27-P197 HydrophobicContact CB-CG 4.42Å; L30-P197 HydrophobicContact CD1-CG 3.67Å; A195-P197 WeakPolarHBondContact O-CD 3.39Å; P197-E199 PolarHBondContact O-N 3.07Å; P197-E199 VanDerWaalsContact O-N 3.09Å; P197-D200 PolarHBondContact O-N 3.41Å; P197-A201 VanDerWaalsContact O-CB 3.3Å; P197-A201 WeakPolarHBondContact O-CB 3.49Å; P197-A201 PolarHBondContact O-N 3.41Å | ||
| 198 | V | 92.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 28.3 Ų | 28.3 | 23% | 0.23 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.4 | -171.9 | -64.8 | 0 | 0 | 0 | 0 | 115.1 | L191 I194 V196 D200 F205 L214 | L191-V198 HydrophobicContact CD2-CG1 3.99Å; I194-V198 HydrophobicContact CD1-CG1 3.24Å; V196-V198 PolarHBondContact O-N 3.01Å; V196-V198 VanDerWaalsContact O-N 3.1Å; V198-D200 VanDerWaalsContact C-N 3.31Å; V198-F205 HydrophobicContact CG1-CD2 3.77Å; V198-F205 HydrophobicContact CG1-CE2 3.81Å; V198-L214 HydrophobicContact CB-CD2 4.04Å; V198-L214 HydrophobicContact CG1-CD2 4.3Å; V198-L214 HydrophobicContact CG2-CD2 4.12Å |
| 199 | E | 87.7 | Confident | 94.6 | Very high | 157 Ų | 157 | 28.1 Ų | 28.1 | 73% | 0.734 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -27.3 | -179 | -58.9 | -169.3 | -157.9 | 0 | 0 | 112.5 | P197 | P197-E199 PolarHBondContact O-N 3.07Å; P197-E199 VanDerWaalsContact O-N 3.09Å |
| 200 | D | 82.6 | Confident | 94.8 | Very high | 115 Ų | 115 | 28.1 Ų | 28.1 | 62% | 0.615 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -9.2 | -173.7 | -66.2 | -34.1 | 0 | 0 | 0 | 112.9 | P197 V198 | P197-D200 PolarHBondContact O-N 3.41Å; V198-D200 VanDerWaalsContact C-N 3.31Å |
| 201 | A | 85.1 | Confident | 94.8 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 12% | 0.116 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -101.2 | 135.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A167 V196 P197 V203 | A167-A201 HydrophobicContact CB-CB 4.25Å; V196-A201 HydrophobicContact CG1-CB 3.27Å; P197-A201 VanDerWaalsContact O-CB 3.3Å; P197-A201 WeakPolarHBondContact O-CB 3.49Å; P197-A201 PolarHBondContact O-N 3.41Å; A201-V203 HydrophobicContact CB-CG2 4.25Å; A201-V203 PolarHBondContact O-N 2.83Å |
| 202 | N | 92.5 | Very high | 94.9 | Very high | 82 Ų | 82 | 26.7 Ų | 26.7 | 44% | 0.439 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -76.7 | 41.4 | 175.3 | -165.7 | 37 | 0 | 0 | 0 | 112.3 | A170 | A170-N202 PolarHBondContact O-ND2 3.33Š|
| 203 | V | 97.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.2 | -176 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | L166 A170 V179 V196 A201 F205 | L166-V203 HydrophobicContact CD2-CG1 4.47Å; L166-V203 HydrophobicContact CG-CG2 4.35Å; A170-V203 HydrophobicContact CB-CG2 3.46Å; A170-V203 VanDerWaalsContact CB-CG2 3.46Å; V179-V203 HydrophobicContact CG2-CG1 3.76Å; V196-V203 HydrophobicContact CG1-CB 4.49Å; V196-V203 HydrophobicContact CG1-CG2 4.39Å; A201-V203 HydrophobicContact CB-CG2 4.25Å; A201-V203 PolarHBondContact O-N 2.83Å; V203-F205 HydrophobicContact CB-CE2 3.85Å; V203-F205 HydrophobicContact CB-CZ 4.23Å; V203-F205 HydrophobicContact CG1-CD2 4.2Å; V203-F205 HydrophobicContact CG1-CE1 4.21Å; V203-F205 HydrophobicContact CG1-CE2 3.58Å; V203-F205 HydrophobicContact CG1-CZ 3.59Å |
| 204 | I | 98.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.3 | 176.1 | -67.5 | 169.7 | 0 | 0 | 0 | 109 | L176 C177 A178 V179 W213 I215 L334 T338 | L176-I204 HydrophobicContact CD1-CD1 3.76Å; L176-I204 HydrophobicContact CG-CD1 4.42Å; C177-I204 PolarHBondContact O-N 3.05Å; A178-I204 CarbonylContact C-O 3.52Å; A178-I204 VanDerWaalsContact CA-O 3.24Å; A178-I204 WeakPolarHBondContact CA-O 3.42Å; A178-I204 HydrophobicContact CB-CB 4.27Å; V179-I204 PolarHBondContact N-O 3.29Å; I204-W213 HydrophobicContact CG2-CB 4.37Å; I204-W213 HydrophobicContact CG2-CD2 4.33Å; I204-W213 HydrophobicContact CG2-CE3 3.58Å; I204-W213 HydrophobicContact CG2-CZ3 4.22Å; I204-I215 HydrophobicContact CD1-CG1 4.5Å; I204-I215 HydrophobicContact CD1-CG2 4.45Å; I204-I215 HydrophobicContact CG2-CG1 3.92Å; I204-L334 HydrophobicContact CD1-CD1 4.23Å; I204-L334 HydrophobicContact CG2-CD1 3.81Å; I204-T338 HydrophobicContact CD1-CG2 4.07Å |
| 205 | F | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.1 | 179.3 | -72.4 | -84.1 | 0 | 0 | 0 | 111.7 | W142 V179 L185 I190 L191 I194 V196 V198 V203 W213 L214 | W142-F205 HydrophobicContact CZ3-CE1 4.41Å; V179-F205 HydrophobicContact CB-CD1 3.85Å; V179-F205 HydrophobicContact CB-CE1 3.85Å; V179-F205 HydrophobicContact CG1-CD1 4.13Å; V179-F205 HydrophobicContact CG1-CE1 4.03Å; V179-F205 HydrophobicContact CG2-CE1 4.13Å; V179-F205 CarbonylContact O-C 3.53Å; V179-F205 WeakPolarHBondContact O-CA 3.44Å; L185-F205 HydrophobicContact CD1-CB 4.14Å; L185-F205 VanDerWaalsContact CD1-O 3.28Å; L185-F205 WeakPolarHBondContact CD1-O 3.48Å; I190-F205 HydrophobicContact CD1-CD1 3.95Å; I190-F205 HydrophobicContact CG1-CD1 4.31Å; I190-F205 HydrophobicContact CG2-CB 4.48Å; L191-F205 HydrophobicContact CD2-CB 4Å; L191-F205 HydrophobicContact CD2-CD2 4.49Å; L191-F205 HydrophobicContact CD2-CG 4.33Å; I194-F205 HydrophobicContact CB-CE1 4.33Å; I194-F205 HydrophobicContact CB-CZ 4.36Å; I194-F205 HydrophobicContact CD1-CD1 4.19Å; I194-F205 HydrophobicContact CD1-CD2 3.83Å; I194-F205 HydrophobicContact CD1-CE1 4.02Å; I194-F205 HydrophobicContact CD1-CE2 3.64Å; I194-F205 HydrophobicContact CD1-CG 4.09Å; I194-F205 HydrophobicContact CD1-CZ 3.73Å; I194-F205 HydrophobicContact CG2-CD1 4.01Å; I194-F205 HydrophobicContact CG2-CE1 3.51Å; I194-F205 HydrophobicContact CG2-CZ 4.03Å; V196-F205 HydrophobicContact CB-CE2 4.17Å; V196-F205 HydrophobicContact CB-CZ 3.86Å; V196-F205 HydrophobicContact CG1-CE2 4.02Å; V196-F205 HydrophobicContact CG1-CZ 4.11Å; V196-F205 HydrophobicContact CG2-CZ 4.05Å; V198-F205 HydrophobicContact CG1-CD2 3.77Å; V198-F205 HydrophobicContact CG1-CE2 3.81Å; V203-F205 HydrophobicContact CB-CE2 3.85Å; V203-F205 HydrophobicContact CB-CZ 4.23Å; V203-F205 HydrophobicContact CG1-CD2 4.2Å; V203-F205 HydrophobicContact CG1-CE1 4.21Å; V203-F205 HydrophobicContact CG1-CE2 3.58Å; V203-F205 HydrophobicContact CG1-CZ 3.59Å; F205-W213 CarbonylContact O-C 3.57Å; F205-W213 WeakPolarHBondContact O-CA 3.48Å; F205-L214 PolarHBondContact O-N 3.02Å |
| 206 | G | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V179 L180 T181 E212 W213 | V179-G206 PolarHBondContact O-N 3.3Å; L180-G206 VanDerWaalsContact CA-O 3.31Å; L180-G206 WeakPolarHBondContact CA-O 3.28Å; T181-G206 PolarHBondContact N-O 3.19Å; T181-G206 VanDerWaalsContact N-O 3.08Å; G206-E212 CarbonylContact C-O 3.55Å; G206-E212 VanDerWaalsContact CA-O 3.26Å; G206-E212 WeakPolarHBondContact CA-O 3.37Å; G206-W213 VanDerWaalsContact CA-CZ3 3.48Å; G206-W213 VanDerWaalsContact N-CE3 3.32Å |
| 207 | G | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 171.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G183 W209 G210 R211 E212 | G183-G207 CarbonylContact O-C 3.54Å; G183-G207 WeakPolarHBondContact O-CA 3.16Å; G207-W209 VanDerWaalsContact C-N 3.3Å; G207-W209 PolarHBondContact O-N 3.22Å; G207-G210 WeakPolarHBondContact O-CA 3.41Å; G207-G210 PolarHBondContact O-N 2.94Å; G207-R211 PolarHBondContact O-N 2.6Å; G207-E212 PolarHBondContact N-O 3.45Å; G207-E212 VanDerWaalsContact O-CG 3.31Å; G207-E212 WeakPolarHBondContact O-CG 3.31Å; G207-E212 PolarHBondContact O-N 2.91Å |
| 208 | S | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | 51.2 | 50.2 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | G183 G210 R211 E212 K264 V265 | G183-S208 PolarHBondContact O-N 3.31Å; S208-G210 PolarHBondContact O-N 3.24Å; S208-R211 VanDerWaalsContact O-CB 3.28Å; S208-R211 WeakPolarHBondContact O-CB 3.3Å; S208-R211 PolarHBondContact O-N 2.95Å; S208-E212 PolarHBondContact OG-OE1 3.45Å; S208-K264 VanDerWaalsContact OG-CA 3.31Å; S208-K264 WeakPolarHBondContact OG-CA 3.38Å; S208-K264 WeakPolarHBondContact OG-CB 3.3Å; S208-V265 PolarHBondContact OG-N 2.69Å |
| 209 | W | 96.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 17% | 0.17 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | 58 | 32.7 | -175.4 | -56.2 | -93.9 | 0 | 0 | 0 | 113.5 | T181 A182 G207 R211 K264 W325 K327 | T181-W209 PolarHBondContact O-N 3.33Å; A182-W209 HydrophobicContact CB-CD2 4.22Å; A182-W209 HydrophobicContact CB-CG 4.3Å; A182-W209 HydrophobicContact CB-CZ2 4.08Å; A182-W209 VanDerWaalsContact CB-NE1 3.26Å; G207-W209 VanDerWaalsContact C-N 3.3Å; G207-W209 PolarHBondContact O-N 3.22Å; W209-R211 VanDerWaalsContact C-N 3.33Å; W209-K264 HydrophobicContact CE3-CD 4.17Å; W209-K264 HydrophobicContact CH2-CD 3.52Å; W209-K264 HydrophobicContact CZ3-CD 3.28Å; W209-W325 PolarHBondContact O-NE1 3.03Å; W209-K327 HydrophobicContact CB-CG 4.3Å |
| 210 | G | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | 74.6 | 17.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | G207 S208 E212 W213 G330 | G207-G210 WeakPolarHBondContact O-CA 3.41Å; G207-G210 PolarHBondContact O-N 2.94Å; S208-G210 PolarHBondContact O-N 3.24Å; G210-E212 PolarHBondContact O-N 3.21Å; G210-W213 PolarHBondContact O-NE1 3.01Å; G210-G330 WeakPolarHBondContact O-CA 3.39Å |
| 211 | R | 96.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 3% | 0.034 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -18.7 | 168.4 | -168.1 | 178.2 | -83.6 | -83.3 | 11 | 112 | G207 S208 W209 V221 D222 V265 W325 | G207-R211 PolarHBondContact O-N 2.6Å; S208-R211 VanDerWaalsContact O-CB 3.28Å; S208-R211 WeakPolarHBondContact O-CB 3.3Å; S208-R211 PolarHBondContact O-N 2.95Å; W209-R211 VanDerWaalsContact C-N 3.33Å; R211-V221 WeakPolarHBondContact O-CA 3.42Å; R211-D222 HydrophobicContact CG-CB 4.22Å; R211-D222 WeakPolarHBondContact CG-O 3.32Å; R211-D222 PolarHBondContact NH1-O 3.08Å; R211-D222 IonicContact NH1-OD1 2.79Å; R211-D222 PolarHBondContact O-N 3.14Å; R211-V265 HydrophobicContact CB-CB 4.49Å; R211-V265 HydrophobicContact CB-CG2 4.39Å; R211-V265 HydrophobicContact CG-CB 4.21Å; R211-V265 HydrophobicContact CG-CG1 4.06Å; R211-V265 HydrophobicContact CG-CG2 4.42Å; R211-W325 HydrophobicContact CB-CD2 4.3Å; R211-W325 HydrophobicContact CB-CZ2 3.93Å; R211-W325 HydrophobicContact CG-CD2 4.36Å; R211-W325 HydrophobicContact CG-CH2 4.39Å; R211-W325 HydrophobicContact CG-CZ2 4.08Å |
| 212 | E | 98 | Very high | 96.4 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 144 | 172.6 | 53.8 | 178.1 | 167.2 | 0 | 0 | 110.7 | L185 G206 G207 S208 G210 R219 C220 V221 V265 | L185-E212 HydrophobicContact CB-CG 3.73Å; L185-E212 WeakPolarHBondContact CB-OE1 3.45Å; L185-E212 HydrophobicContact CD2-CB 4.33Å; L185-E212 HydrophobicContact CD2-CG 4.28Å; L185-E212 PolarHBondContact N-OE1 2.98Å; G206-E212 CarbonylContact C-O 3.55Å; G206-E212 VanDerWaalsContact CA-O 3.26Å; G206-E212 WeakPolarHBondContact CA-O 3.37Å; G207-E212 PolarHBondContact N-O 3.45Å; G207-E212 VanDerWaalsContact O-CG 3.31Å; G207-E212 WeakPolarHBondContact O-CG 3.31Å; G207-E212 PolarHBondContact O-N 2.91Å; S208-E212 PolarHBondContact OG-OE1 3.45Å; G210-E212 PolarHBondContact O-N 3.21Å; E212-R219 IonicContact OE2-CZ 3.06Å; E212-R219 IonicContact OE2-NE 3.84Å; E212-R219 PolarHBondContact OE2-NE 3.24Å; E212-R219 IonicContact OE2-NH2 3.09Å; E212-R219 PolarHBondContact OE2-NH2 3.32Å; E212-C220 CarbonylContact C-O 3.57Å; E212-C220 WeakPolarHBondContact CA-O 3.38Å; E212-V221 HydrophobicContact CB-CG2 4.05Å; E212-V265 HydrophobicContact CB-CG2 3.75Å; E212-V265 VanDerWaalsContact CD-CG2 3.48Å; E212-V265 HydrophobicContact CG-CG2 3.6Å |
| 213 | W | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145 | -179.4 | -64.5 | 96.5 | 0 | 0 | 0 | 111.1 | I139 A178 L180 I204 F205 G206 G210 I215 R219 C220 G330 F333 L334 | I139-W213 HydrophobicContact CD1-CH2 4.24Å; A178-W213 HydrophobicContact CB-CH2 4.24Å; A178-W213 HydrophobicContact CB-CZ3 3.88Å; L180-W213 HydrophobicContact CB-CH2 3.64Å; L180-W213 HydrophobicContact CB-CZ2 4.38Å; L180-W213 HydrophobicContact CB-CZ3 4.01Å; L180-W213 HydrophobicContact CD1-CH2 4.17Å; L180-W213 HydrophobicContact CD1-CZ2 4.31Å; L180-W213 HydrophobicContact CD2-CH2 4.2Å; L180-W213 HydrophobicContact CG-CH2 4.22Å; I204-W213 HydrophobicContact CG2-CB 4.37Å; I204-W213 HydrophobicContact CG2-CD2 4.33Å; I204-W213 HydrophobicContact CG2-CE3 3.58Å; I204-W213 HydrophobicContact CG2-CZ3 4.22Å; F205-W213 CarbonylContact O-C 3.57Å; F205-W213 WeakPolarHBondContact O-CA 3.48Å; G206-W213 VanDerWaalsContact CA-CZ3 3.48Å; G206-W213 VanDerWaalsContact N-CE3 3.32Å; G210-W213 PolarHBondContact O-NE1 3.01Å; W213-I215 HydrophobicContact CB-CD1 3.83Å; W213-I215 HydrophobicContact CB-CG1 3.69Å; W213-I215 HydrophobicContact CG-CD1 4.48Å; W213-R219 CarbonylContact O-C 3.52Å; W213-R219 WeakPolarHBondContact O-CA 3.29Å; W213-C220 PolarHBondContact N-O 2.93Å; W213-C220 PolarHBondContact O-N 2.82Å; W213-G330 PolarHBondContact NE1-O 3.05Å; W213-G330 VanDerWaalsContact NE1-O 3.17Å; W213-F333 AromaticContact CD1-CD1 3.53Å; W213-F333 AromaticContact CD1-CE1 3.83Å; W213-F333 AromaticContact NE1-CD1 3.84Å; W213-L334 HydrophobicContact CD2-CB 4.31Å; W213-L334 HydrophobicContact CD2-CD1 4.01Å; W213-L334 HydrophobicContact CE3-CD1 4.2Å; W213-L334 HydrophobicContact CG-CD1 4.29Å; W213-L334 HydrophobicContact CH2-CD2 3.86Å; W213-L334 HydrophobicContact CZ2-CB 3.86Å; W213-L334 HydrophobicContact CZ2-CD2 4.01Å; W213-L334 HydrophobicContact CZ2-CG 4.42Å; W213-L334 HydrophobicContact CZ3-CD2 4.15Å |
| 214 | L | 98.1 | Very high | 95.9 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 99.1 | 165.2 | -172.5 | 71.1 | 0 | 0 | 0 | 108.8 | L185 L191 V198 F205 | L185-L214 HydrophobicContact CD1-CB 4.34Å; L185-L214 HydrophobicContact CD2-CB 4.3Å; L191-L214 HydrophobicContact CD1-CD2 4.17Å; L191-L214 HydrophobicContact CD2-CD2 3.87Å; V198-L214 HydrophobicContact CB-CD2 4.04Å; V198-L214 HydrophobicContact CG1-CD2 4.3Å; V198-L214 HydrophobicContact CG2-CD2 4.12Å; F205-L214 PolarHBondContact O-N 3.02Å |
| 215 | I | 96.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.4 | -177.4 | -57.2 | 173.9 | 0 | 0 | 0 | 108.2 | I204 W213 N217 R218 C220 L334 E337 T338 | I204-I215 HydrophobicContact CD1-CG1 4.5Å; I204-I215 HydrophobicContact CD1-CG2 4.45Å; I204-I215 HydrophobicContact CG2-CG1 3.92Å; W213-I215 HydrophobicContact CB-CD1 3.83Å; W213-I215 HydrophobicContact CB-CG1 3.69Å; W213-I215 HydrophobicContact CG-CD1 4.48Å; I215-N217 VanDerWaalsContact C-N 3.32Å; I215-N217 PolarHBondContact O-N 3.32Å; I215-R218 PolarHBondContact N-O 3.33Å; I215-R218 WeakPolarHBondContact O-CB 3.33Å; I215-R218 PolarHBondContact O-N 3.46Å; I215-C220 HydrophobicContact CD1-CB 4.27Å; I215-L334 HydrophobicContact CD1-CD1 4.05Å; I215-L334 HydrophobicContact CG1-CD1 4.46Å; I215-E337 HydrophobicContact CD1-CB 3.57Å; I215-E337 HydrophobicContact CD1-CG 4.34Å; I215-T338 HydrophobicContact CD1-CG2 4.16Å; I215-T338 HydrophobicContact CG2-CG2 4.25Å |
| 216 | H | 91.1 | Very high | 94.7 | Very high | 157 Ų | 157 | 45.9 Ų | 45.9 | 73% | 0.727 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 49 | -174.7 | -51.9 | 111.7 | 0 | 0 | 0 | 112.6 | R218 | H216-R218 PolarHBondContact O-N 3.33Š|
| 217 | N | 90.8 | Very high | 94 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 14.7 | -176.3 | -60.8 | -33.2 | 0 | 0 | 0 | 115.5 | I215 | I215-N217 VanDerWaalsContact C-N 3.32Å; I215-N217 PolarHBondContact O-N 3.32Å |
| 218 | R | 95.2 | Very high | 93.1 | Very high | 164 Ų | 164 | 56.1 Ų | 56.1 | 62% | 0.619 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.4 | 175.2 | 170.5 | 174.3 | 41.7 | -172.5 | -11.1 | 109.9 | I215 H216 C220 | I215-R218 PolarHBondContact N-O 3.33Å; I215-R218 WeakPolarHBondContact O-CB 3.33Å; I215-R218 PolarHBondContact O-N 3.46Å; H216-R218 PolarHBondContact O-N 3.33Å; R218-C220 PolarHBondContact O-N 3.25Å |
| 219 | R | 96.6 | Very high | 92.7 | Very high | 126 Ų | 126 | 60.2 Ų | 60.2 | 48% | 0.475 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 113 | 172.9 | -176.9 | 173.6 | 174.9 | -112.2 | 5.4 | 109.8 | L185 E212 W213 V221 | L185-R219 HydrophobicContact CD2-CG 4.03Å; E212-R219 IonicContact OE2-CZ 3.06Å; E212-R219 IonicContact OE2-NE 3.84Å; E212-R219 PolarHBondContact OE2-NE 3.24Å; E212-R219 IonicContact OE2-NH2 3.09Å; E212-R219 PolarHBondContact OE2-NH2 3.32Å; W213-R219 CarbonylContact O-C 3.52Å; W213-R219 WeakPolarHBondContact O-CA 3.29Å; R219-V221 HydrophobicContact CG-CG2 3.86Å; R219-V221 VanDerWaalsContact CZ-CG2 3.5Å |
| 220 | C | 97.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 135.5 | 169.8 | -64.9 | 0 | 0 | 0 | 0 | 109.1 | E212 W213 I215 R218 F333 E337 | E212-C220 CarbonylContact C-O 3.57Å; E212-C220 WeakPolarHBondContact CA-O 3.38Å; W213-C220 PolarHBondContact N-O 2.93Å; W213-C220 PolarHBondContact O-N 2.82Å; I215-C220 HydrophobicContact CD1-CB 4.27Å; R218-C220 PolarHBondContact O-N 3.25Å; C220-F333 HydrophobicContact CB-CE1 4.47Å; C220-F333 HydrophobicContact CB-CZ 4.24Å; C220-E337 HydrophobicContact CB-CG 4.32Å |
| 221 | V | 96.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.9 | -176.4 | -173.4 | 0 | 0 | 0 | 0 | 110 | R211 E212 R219 K223 V265 | R211-V221 WeakPolarHBondContact O-CA 3.42Å; E212-V221 HydrophobicContact CB-CG2 4.05Å; R219-V221 HydrophobicContact CG-CG2 3.86Å; R219-V221 VanDerWaalsContact CZ-CG2 3.5Å; V221-K223 HydrophobicContact CB-CG 4.33Å; V221-K223 HydrophobicContact CG1-CG 3.95Å; V221-K223 PolarHBondContact O-N 3.05Å; V221-V265 HydrophobicContact CG1-CB 4.47Å; V221-V265 HydrophobicContact CG1-CG1 3.51Å; V221-V265 HydrophobicContact CG1-CG2 4.01Å |
| 222 | D | 95.1 | Very high | 92 | Very high | 18 Ų | 18 | 65.4 Ų | 65.4 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | trans | -79.5 | 105.2 | 168.9 | -167.8 | -52.5 | 0 | 0 | 0 | 110 | R211 T224 W325 F333 | R211-D222 HydrophobicContact CG-CB 4.22Å; R211-D222 WeakPolarHBondContact CG-O 3.32Å; R211-D222 PolarHBondContact NH1-O 3.08Å; R211-D222 IonicContact NH1-OD1 2.79Å; R211-D222 PolarHBondContact O-N 3.14Å; D222-T224 WeakPolarHBondContact OD1-CB 3.39Å; D222-T224 WeakPolarHBondContact OD1-CG2 3.42Å; D222-T224 PolarHBondContact OD1-N 3.18Å; D222-T224 PolarHBondContact OD1-OG1 3.45Å; D222-W325 HydrophobicContact CB-CH2 3.69Å; D222-W325 HydrophobicContact CB-CZ2 4.42Å; D222-W325 HydrophobicContact CB-CZ3 4.31Å; D222-F333 HydrophobicContact CB-CD1 4Å; D222-F333 HydrophobicContact CB-CD2 3.89Å; D222-F333 HydrophobicContact CB-CE1 4.02Å; D222-F333 HydrophobicContact CB-CE2 3.92Å; D222-F333 HydrophobicContact CB-CG 3.95Å; D222-F333 HydrophobicContact CB-CZ 3.99Å | ||
| 223 | K | 90.9 | Very high | 91.9 | Very high | 97 Ų | 97 | 66 Ų | 66 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | trans | -100.5 | 9.5 | 177.4 | -60.8 | -169.9 | 175.7 | -163.7 | 0 | 113.6 | V221 A225 I226 E231 | V221-K223 HydrophobicContact CB-CG 4.33Å; V221-K223 HydrophobicContact CG1-CG 3.95Å; V221-K223 PolarHBondContact O-N 3.05Å; K223-A225 PolarHBondContact O-N 3.4Å; K223-A225 VanDerWaalsContact O-N 3.14Å; K223-I226 HydrophobicContact CB-CB 4.48Å; K223-I226 PolarHBondContact O-N 2.67Å; K223-E231 VanDerWaalsContact NZ-CD 3.3Å; K223-E231 IonicContact NZ-OE1 3.19Å; K223-E231 PolarHBondContact NZ-OE1 2.94Å; K223-E231 VanDerWaalsContact NZ-OE1 3.14Å; K223-E231 IonicContact NZ-OE2 3.56Å; K223-E231 PolarHBondContact NZ-OE2 2.86Å | ||
| 224 | T | 88.8 | Confident | 91.7 | Very high | 117 Ų | 117 | 66 Ų | 66 | 72% | 0.718 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.9 | -170.7 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | D222 | D222-T224 WeakPolarHBondContact OD1-CB 3.39Å; D222-T224 WeakPolarHBondContact OD1-CG2 3.42Å; D222-T224 PolarHBondContact OD1-N 3.18Å; D222-T224 PolarHBondContact OD1-OG1 3.45Å |
| 225 | A | 85 | Confident | 91.6 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 11.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | K223 S320 V321 | K223-A225 PolarHBondContact O-N 3.4Å; K223-A225 VanDerWaalsContact O-N 3.14Å; A225-S320 WeakPolarHBondContact O-CB 3.43Å; A225-S320 PolarHBondContact O-OG 3.31Å; A225-V321 HydrophobicContact CB-CG1 3.87Å; A225-V321 WeakPolarHBondContact O-CG1 3.42Å |
| 226 | I | 86.4 | Confident | 91.6 | Very high | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | trans | -116.1 | 104.4 | -175.4 | -57.2 | 177.9 | 0 | 0 | 0 | 108.4 | K223 E231 V265 D266 L318 V321 | K223-I226 HydrophobicContact CB-CB 4.48Å; K223-I226 PolarHBondContact O-N 2.67Å; I226-E231 HydrophobicContact CG2-CB 4.43Å; I226-V265 HydrophobicContact CD1-CG1 3.38Å; I226-D266 HydrophobicContact CD1-CB 4.28Å; I226-L318 HydrophobicContact CG1-CD1 4.49Å; I226-L318 HydrophobicContact CG2-CD1 3.9Å; I226-V321 HydrophobicContact CG1-CG1 4.15Å | ||
| 227 | P | 82.8 | Confident | 91.9 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | trans | -68.8 | 153.9 | 175.5 | 33 | -36.5 | 0 | 0 | 0 | 109.8 | N229 G230 E231 S320 | P227-N229 VanDerWaalsContact C-N 3.3Å; P227-N229 WeakPolarHBondContact CB-OD1 3.3Å; P227-N229 VanDerWaalsContact CG-OD1 3.26Å; P227-N229 WeakPolarHBondContact CG-OD1 3.46Å; P227-N229 PolarHBondContact O-N 3.09Å; P227-G230 WeakPolarHBondContact O-CA 3.48Å; P227-G230 PolarHBondContact O-N 3.16Å; P227-E231 PolarHBondContact O-N 3.31Å; P227-S320 WeakPolarHBondContact CD-OG 3.33Å | ||
| 228 | E | 80.7 | Confident | 92.2 | Very high | 162 Ų | 162 | 61.7 Ų | 61.7 | 76% | 0.757 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -56.6 | -43 | -176.6 | -173.4 | 172.7 | -164.2 | 0 | 0 | 112.1 | G230 E231 E232 | E228-G230 PolarHBondContact O-N 3.25Å; E228-E231 PolarHBondContact O-N 3.21Å; E228-E232 PolarHBondContact O-N 3.42Å |
| 229 | N | 87.1 | Confident | 92.3 | Very high | 86 Ų | 86 | 60 Ų | 60 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.7 | -25.9 | 173.4 | 66.9 | -18.5 | 0 | 0 | 0 | 113.1 | P227 N233 | P227-N229 VanDerWaalsContact C-N 3.3Å; P227-N229 WeakPolarHBondContact CB-OD1 3.3Å; P227-N229 VanDerWaalsContact CG-OD1 3.26Å; P227-N229 WeakPolarHBondContact CG-OD1 3.46Å; P227-N229 PolarHBondContact O-N 3.09Å; N229-N233 VanDerWaalsContact O-CB 3.25Å; N229-N233 WeakPolarHBondContact O-CB 3.49Å; N229-N233 PolarHBondContact O-N 3.04Å; N229-N233 PolarHBondContact O-ND2 3.12Å |
| 230 | G | 90.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P227 E228 N233 L234 | P227-G230 WeakPolarHBondContact O-CA 3.48Å; P227-G230 PolarHBondContact O-N 3.16Å; E228-G230 PolarHBondContact O-N 3.25Å; G230-N233 PolarHBondContact O-N 3.31Å; G230-L234 WeakPolarHBondContact O-CB 3.45Å; G230-L234 WeakPolarHBondContact O-CG 3.43Å; G230-L234 PolarHBondContact O-N 3.16Å |
| 231 | E | 90.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 29% | 0.29 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.6 | -175.2 | 171 | -166 | 0 | 0 | 111.4 | K223 I226 P227 E228 N233 L234 N235 | K223-E231 VanDerWaalsContact NZ-CD 3.3Å; K223-E231 IonicContact NZ-OE1 3.19Å; K223-E231 PolarHBondContact NZ-OE1 2.94Å; K223-E231 VanDerWaalsContact NZ-OE1 3.14Å; K223-E231 IonicContact NZ-OE2 3.56Å; K223-E231 PolarHBondContact NZ-OE2 2.86Å; I226-E231 HydrophobicContact CG2-CB 4.43Å; P227-E231 PolarHBondContact O-N 3.31Å; E228-E231 PolarHBondContact O-N 3.21Å; E231-N233 VanDerWaalsContact C-N 3.34Å; E231-N233 PolarHBondContact O-N 3.03Å; E231-L234 PolarHBondContact O-N 3.39Å; E231-N235 WeakPolarHBondContact O-CB 3.48Å; E231-N235 PolarHBondContact O-N 3.41Å; E231-N235 PolarHBondContact O-ND2 3.02Å |
| 232 | E | 94.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 57.2 Ų | 57.2 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.3 | -69.3 | -174.1 | 173.5 | 0 | 0 | 112.2 | E228 N235 K236 | E228-E232 PolarHBondContact O-N 3.42Å; E232-N235 PolarHBondContact O-N 3.12Å; E232-K236 WeakPolarHBondContact O-CG 3.48Å; E232-K236 PolarHBondContact O-N 3.43Å |
| 233 | N | 95.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.6 | -37.6 | -179.5 | -71.8 | -31.4 | 0 | 0 | 0 | 111.9 | N229 G230 E231 N235 K236 L237 V298 I304 F305 | N229-N233 VanDerWaalsContact O-CB 3.25Å; N229-N233 WeakPolarHBondContact O-CB 3.49Å; N229-N233 PolarHBondContact O-N 3.04Å; N229-N233 PolarHBondContact O-ND2 3.12Å; G230-N233 PolarHBondContact O-N 3.31Å; E231-N233 VanDerWaalsContact C-N 3.34Å; E231-N233 PolarHBondContact O-N 3.03Å; N233-N235 VanDerWaalsContact C-N 3.27Å; N233-N235 PolarHBondContact O-N 3.1Å; N233-K236 PolarHBondContact O-N 2.98Å; N233-L237 WeakPolarHBondContact O-CB 3.36Å; N233-L237 PolarHBondContact O-N 3.18Å; N233-V298 HydrophobicContact CB-CG1 3.85Å; N233-I304 HydrophobicContact CB-CG2 4.09Å; N233-I304 WeakPolarHBondContact ND2-CD1 3.28Å; N233-F305 HydrophobicContact CB-CE2 4.04Å; N233-F305 HydrophobicContact CB-CZ 3.77Å |
| 234 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 172 | -81.7 | 173.2 | 0 | 0 | 0 | 111.1 | G230 E231 L237 T238 R263 F305 L318 | G230-L234 WeakPolarHBondContact O-CB 3.45Å; G230-L234 WeakPolarHBondContact O-CG 3.43Å; G230-L234 PolarHBondContact O-N 3.16Å; E231-L234 PolarHBondContact O-N 3.39Å; L234-L237 PolarHBondContact O-N 3.17Å; L234-T238 VanDerWaalsContact O-CB 3.29Å; L234-T238 WeakPolarHBondContact O-CB 3.34Å; L234-T238 PolarHBondContact O-N 3.22Å; L234-T238 PolarHBondContact O-OG1 2.94Å; L234-R263 VanDerWaalsContact CB-NH2 3.26Å; L234-F305 HydrophobicContact CD2-CD1 4.34Å; L234-F305 HydrophobicContact CD2-CE1 3.46Å; L234-F305 VanDerWaalsContact CD2-CE1 3.46Å; L234-F305 HydrophobicContact CD2-CZ 4.08Å; L234-F305 HydrophobicContact CG-CE1 3.73Å; L234-F305 HydrophobicContact CG-CZ 4.17Å; L234-L318 HydrophobicContact CD1-CD1 3.54Å; L234-L318 HydrophobicContact CD1-CD2 4.31Å; L234-L318 HydrophobicContact CD1-CG 3.75Å; L234-L318 HydrophobicContact CG-CD1 4.28Å; L234-L318 HydrophobicContact CG-CD2 4.16Å; L234-L318 HydrophobicContact CG-CG 4.08Å |
| 235 | N | 95.2 | Very high | 92.5 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 176.3 | -68.3 | -13.9 | 0 | 0 | 0 | 111.4 | E231 E232 N233 L237 T238 Q239 R263 | E231-N235 WeakPolarHBondContact O-CB 3.48Å; E231-N235 PolarHBondContact O-N 3.41Å; E231-N235 PolarHBondContact O-ND2 3.02Å; E232-N235 PolarHBondContact O-N 3.12Å; N233-N235 VanDerWaalsContact C-N 3.27Å; N233-N235 PolarHBondContact O-N 3.1Å; N235-L237 PolarHBondContact O-N 3.37Å; N235-T238 WeakPolarHBondContact O-CB 3.42Å; N235-T238 PolarHBondContact O-N 3.15Å; N235-Q239 WeakPolarHBondContact O-CG 3.28Å; N235-Q239 PolarHBondContact O-N 2.9Å; N235-R263 PolarHBondContact OD1-NH2 3.43Å |
| 236 | K | 97.2 | Very high | 92.7 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 173.8 | -72.1 | 170.4 | -170.1 | 161.9 | 0 | 111.7 | E232 N233 T238 Q239 L240 V298 | E232-K236 WeakPolarHBondContact O-CG 3.48Å; E232-K236 PolarHBondContact O-N 3.43Å; N233-K236 PolarHBondContact O-N 2.98Å; K236-T238 VanDerWaalsContact C-N 3.35Å; K236-T238 PolarHBondContact O-N 2.71Å; K236-Q239 PolarHBondContact O-N 2.81Å; K236-L240 WeakPolarHBondContact O-CG 3.45Å; K236-L240 PolarHBondContact O-N 2.83Å; K236-V298 HydrophobicContact CB-CG1 4.26Å; K236-V298 HydrophobicContact CB-CG2 4.25Å |
| 237 | L | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.9 | 178.8 | 63.4 | 0 | 0 | 0 | 111.5 | N233 L234 N235 Q239 L240 L241 A294 V295 V298 F305 V316 | N233-L237 WeakPolarHBondContact O-CB 3.36Å; N233-L237 PolarHBondContact O-N 3.18Å; L234-L237 PolarHBondContact O-N 3.17Å; N235-L237 PolarHBondContact O-N 3.37Å; L237-Q239 PolarHBondContact O-N 2.71Å; L237-L240 PolarHBondContact O-N 3.48Å; L237-L241 HydrophobicContact CD1-CD1 3.79Å; L237-L241 HydrophobicContact CD1-CG 4.17Å; L237-L241 HydrophobicContact CG-CD1 3.87Å; L237-L241 WeakPolarHBondContact O-CB 3.44Å; L237-L241 WeakPolarHBondContact O-CG 3.31Å; L237-L241 PolarHBondContact O-N 3.08Å; L237-A294 HydrophobicContact CD1-CB 3.88Å; L237-V295 HydrophobicContact CD1-CG2 3.94Å; L237-V295 HydrophobicContact CD2-CG2 4.18Å; L237-V298 HydrophobicContact CB-CG2 4.21Å; L237-V298 HydrophobicContact CD1-CG2 4.46Å; L237-F305 HydrophobicContact CD2-CE2 4.33Å; L237-F305 HydrophobicContact CD2-CZ 4.36Å; L237-V316 HydrophobicContact CD2-CB 3.93Å; L237-V316 HydrophobicContact CD2-CG1 3.53Å; L237-V316 HydrophobicContact CD2-CG2 4.3Å |
| 238 | T | 96.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 63.7 Ų | 63.7 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.6 | -48.1 | 177.2 | -61.1 | 0 | 0 | 0 | 0 | 111 | L234 N235 K236 L241 L242 F261 R263 | L234-T238 VanDerWaalsContact O-CB 3.29Å; L234-T238 WeakPolarHBondContact O-CB 3.34Å; L234-T238 PolarHBondContact O-N 3.22Å; L234-T238 PolarHBondContact O-OG1 2.94Å; N235-T238 WeakPolarHBondContact O-CB 3.42Å; N235-T238 PolarHBondContact O-N 3.15Å; K236-T238 VanDerWaalsContact C-N 3.35Å; K236-T238 PolarHBondContact O-N 2.71Å; T238-L241 PolarHBondContact O-N 3.29Å; T238-L242 HydrophobicContact CG2-CD1 3.9Å; T238-L242 HydrophobicContact CG2-CG 4.4Å; T238-L242 WeakPolarHBondContact O-CB 3.24Å; T238-L242 WeakPolarHBondContact O-CG 3.36Å; T238-L242 PolarHBondContact O-N 2.72Å; T238-F261 HydrophobicContact CG2-CE1 3.95Å; T238-F261 HydrophobicContact CG2-CZ 4.02Å; T238-R263 WeakPolarHBondContact OG1-CD 3.5Å |
| 239 | Q | 96.6 | Very high | 93.6 | Very high | 128 Ų | 128 | 59.5 Ų | 59.5 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 179.4 | -67 | -57.8 | -38.8 | 0 | 0 | 112.5 | N235 K236 L237 L241 K243 | N235-Q239 WeakPolarHBondContact O-CG 3.28Å; N235-Q239 PolarHBondContact O-N 2.9Å; K236-Q239 PolarHBondContact O-N 2.81Å; L237-Q239 PolarHBondContact O-N 2.71Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; Q239-L241 PolarHBondContact O-N 2.71Å; Q239-K243 VanDerWaalsContact O-CB 3.23Å; Q239-K243 WeakPolarHBondContact O-CB 3.24Å; Q239-K243 PolarHBondContact O-N 3Å |
| 240 | L | 97.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.4 | -76 | 173.6 | 0 | 0 | 0 | 112 | K236 L237 A244 T297 V298 | K236-L240 WeakPolarHBondContact O-CG 3.45Å; K236-L240 PolarHBondContact O-N 2.83Å; L237-L240 PolarHBondContact O-N 3.48Å; L240-A244 WeakPolarHBondContact O-CB 3.29Å; L240-A244 PolarHBondContact O-N 3.15Å; L240-T297 HydrophobicContact CD1-CG2 4.11Å; L240-V298 HydrophobicContact CD1-CG2 3.47Å; L240-V298 VanDerWaalsContact CD1-CG2 3.47Å |
| 241 | L | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.9 | -43.5 | 179.9 | -71.6 | 170.1 | 0 | 0 | 0 | 112.5 | L237 T238 Q239 K243 A244 I245 F261 L268 I270 V291 A294 | L237-L241 HydrophobicContact CD1-CD1 3.79Å; L237-L241 HydrophobicContact CD1-CG 4.17Å; L237-L241 HydrophobicContact CG-CD1 3.87Å; L237-L241 WeakPolarHBondContact O-CB 3.44Å; L237-L241 WeakPolarHBondContact O-CG 3.31Å; L237-L241 PolarHBondContact O-N 3.08Å; T238-L241 PolarHBondContact O-N 3.29Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; Q239-L241 PolarHBondContact O-N 2.71Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 3.1Å; L241-A244 PolarHBondContact O-N 3.47Å; L241-I245 WeakPolarHBondContact O-CB 3.5Å; L241-I245 VanDerWaalsContact O-CG1 3.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.35Å; L241-I245 PolarHBondContact O-N 3.01Å; L241-F261 HydrophobicContact CB-CE2 3.93Å; L241-F261 HydrophobicContact CB-CZ 4.36Å; L241-L268 HydrophobicContact CD1-CD2 3.23Å; L241-I270 HydrophobicContact CD1-CD1 4.04Å; L241-V291 HydrophobicContact CD2-CB 4.43Å; L241-V291 HydrophobicContact CD2-CG2 4.03Å; L241-A294 HydrophobicContact CD2-CB 3.55Å; L241-A294 HydrophobicContact CG-CB 3.91Å |
| 242 | L | 94.4 | Very high | 93.7 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 173.8 | -72.6 | 175.8 | 0 | 0 | 0 | 111.3 | T238 I245 N246 L255 F261 | T238-L242 HydrophobicContact CG2-CD1 3.9Å; T238-L242 HydrophobicContact CG2-CG 4.4Å; T238-L242 WeakPolarHBondContact O-CB 3.24Å; T238-L242 WeakPolarHBondContact O-CG 3.36Å; T238-L242 PolarHBondContact O-N 2.72Å; L242-I245 PolarHBondContact O-N 2.98Å; L242-N246 WeakPolarHBondContact O-CB 3.45Å; L242-N246 PolarHBondContact O-N 3.01Å; L242-N246 PolarHBondContact O-ND2 3.29Å; L242-L255 HydrophobicContact CD2-CD2 4.07Å; L242-F261 HydrophobicContact CD1-CE1 4.38Å; L242-F261 HydrophobicContact CD2-CD1 4.03Å; L242-F261 HydrophobicContact CD2-CD2 4.43Å; L242-F261 HydrophobicContact CD2-CE1 3.8Å; L242-F261 HydrophobicContact CD2-CE2 4.22Å; L242-F261 HydrophobicContact CD2-CG 4.33Å; L242-F261 HydrophobicContact CD2-CZ 3.9Å; L242-F261 HydrophobicContact CG-CE1 3.99Å; L242-F261 HydrophobicContact CG-CE2 4.46Å; L242-F261 HydrophobicContact CG-CZ 3.85Å |
| 243 | K | 94.6 | Very high | 93.3 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62 | -49.9 | 172.3 | 178.3 | 173.6 | 178.3 | 171.8 | 0 | 111.8 | Q239 L241 I245 N246 D247 | Q239-K243 VanDerWaalsContact O-CB 3.23Å; Q239-K243 WeakPolarHBondContact O-CB 3.24Å; Q239-K243 PolarHBondContact O-N 3Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 3.1Å; K243-I245 PolarHBondContact O-N 3.49Å; K243-N246 PolarHBondContact O-N 3.1Å; K243-N246 VanDerWaalsContact O-N 3.16Å; K243-D247 WeakPolarHBondContact CE-OD2 3.17Å; K243-D247 VanDerWaalsContact CG-OD2 3.3Å; K243-D247 WeakPolarHBondContact CG-OD2 3.45Å; K243-D247 WeakPolarHBondContact O-CB 3.26Å; K243-D247 VanDerWaalsContact O-CG 3.24Å; K243-D247 PolarHBondContact O-N 2.97Å |
| 244 | A | 94 | Very high | 93 | Very high | 32 Ų | 32 | 50.6 Ų | 50.6 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -36.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L240 L241 R248 | L240-A244 WeakPolarHBondContact O-CB 3.29Å; L240-A244 PolarHBondContact O-N 3.15Å; L241-A244 PolarHBondContact O-N 3.47Å; A244-R248 WeakPolarHBondContact O-CB 3.37Å; A244-R248 PolarHBondContact O-N 2.65Å |
| 245 | I | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -59.8 | 171.1 | -70.5 | 167.6 | 0 | 0 | 0 | 108.7 | L241 L242 K243 D247 R248 F251 H252 L255 F261 F287 | L241-I245 WeakPolarHBondContact O-CB 3.5Å; L241-I245 VanDerWaalsContact O-CG1 3.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.35Å; L241-I245 PolarHBondContact O-N 3.01Å; L242-I245 PolarHBondContact O-N 2.98Å; K243-I245 PolarHBondContact O-N 3.49Å; I245-D247 VanDerWaalsContact C-N 3.25Å; I245-D247 PolarHBondContact O-N 2.95Å; I245-R248 CarbonylContact O-C 3.59Å; I245-R248 VanDerWaalsContact O-C 3.3Å; I245-R248 PolarHBondContact O-N 2.83Å; I245-F251 HydrophobicContact CG1-CB 4.29Å; I245-H252 PolarHBondContact O-CD2 3.44Å; I245-H252 PolarHBondContact O-NE2 3.09Å; I245-H252 VanDerWaalsContact O-NE2 3.09Å; I245-L255 HydrophobicContact CD1-CD2 3.82Å; I245-L255 HydrophobicContact CD1-CG 4.37Å; I245-L255 HydrophobicContact CG2-CD1 3.8Å; I245-L255 HydrophobicContact CG2-CD2 4.09Å; I245-L255 HydrophobicContact CG2-CG 3.74Å; I245-F261 HydrophobicContact CD1-CD2 3.85Å; I245-F261 HydrophobicContact CD1-CE2 4.14Å; I245-F287 HydrophobicContact CD1-CE2 4.3Å; I245-F287 HydrophobicContact CD1-CZ 4.2Å; I245-F287 HydrophobicContact CG1-CE2 3.9Å; I245-F287 HydrophobicContact CG1-CZ 4.31Å |
| 246 | N | 89.2 | Confident | 92 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -31.2 | -175.9 | -68.1 | -18.4 | 0 | 0 | 0 | 114.4 | L242 K243 R248 H252 | L242-N246 WeakPolarHBondContact O-CB 3.45Å; L242-N246 PolarHBondContact O-N 3.01Å; L242-N246 PolarHBondContact O-ND2 3.29Å; K243-N246 PolarHBondContact O-N 3.1Å; K243-N246 VanDerWaalsContact O-N 3.16Å; N246-R248 VanDerWaalsContact C-N 3.27Å; N246-H252 WeakPolarHBondContact CA-NE2 3.26Å; N246-H252 PolarHBondContact O-NE2 3.26Å |
| 247 | D | 91.7 | Very high | 91.5 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 61% | 0.61 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.2 | 178.1 | -69 | -14.5 | 0 | 0 | 0 | 112 | K243 I245 | K243-D247 WeakPolarHBondContact CE-OD2 3.17Å; K243-D247 VanDerWaalsContact CG-OD2 3.3Å; K243-D247 WeakPolarHBondContact CG-OD2 3.45Å; K243-D247 WeakPolarHBondContact O-CB 3.26Å; K243-D247 VanDerWaalsContact O-CG 3.24Å; K243-D247 PolarHBondContact O-N 2.97Å; I245-D247 VanDerWaalsContact C-N 3.25Å; I245-D247 PolarHBondContact O-N 2.95Å |
| 248 | R | 90.9 | Very high | 91 | Very high | 97 Ų | 97 | 44.4 Ų | 44.4 | 37% | 0.366 | 23% | 0.229 | S | C | . | . | trans | -131.2 | 105.2 | -177.2 | -76.6 | -170.3 | 64.9 | 169.8 | 1.5 | 112.3 | A244 I245 N246 D250 F251 H252 | A244-R248 WeakPolarHBondContact O-CB 3.37Å; A244-R248 PolarHBondContact O-N 2.65Å; I245-R248 CarbonylContact O-C 3.59Å; I245-R248 VanDerWaalsContact O-C 3.3Å; I245-R248 PolarHBondContact O-N 2.83Å; N246-R248 VanDerWaalsContact C-N 3.27Å; R248-D250 WeakPolarHBondContact CB-OD1 3.49Å; R248-D250 IonicContact CZ-OD1 3.5Å; R248-D250 IonicContact CZ-OD2 3.54Å; R248-D250 IonicContact NE-OD1 2.89Å; R248-D250 PolarHBondContact NE-OD1 3.03Å; R248-D250 IonicContact NE-OD2 3.74Å; R248-D250 IonicContact NH2-OD1 3.3Å; R248-D250 PolarHBondContact NH2-OD1 3.03Å; R248-D250 IonicContact NH2-OD2 2.66Å; R248-D250 PolarHBondContact NH2-OD2 2.71Å; R248-D250 PolarHBondContact O-N 3.41Å; R248-F251 HydrophobicContact CB-CB 4.07Å; R248-F251 HydrophobicContact CB-CD2 3.9Å; R248-F251 HydrophobicContact CB-CG 3.92Å; R248-F251 HydrophobicContact CG-CD2 4.41Å; R248-F251 VanDerWaalsContact CZ-CE1 3.43Å; R248-F251 WeakPolarHBondContact O-CA 3.15Å; R248-F251 WeakPolarHBondContact O-CB 3.18Å; R248-F251 PolarHBondContact O-N 2.62Å; R248-H252 PolarHBondContact O-CD2 3.32Å; R248-H252 VanDerWaalsContact O-CD2 3.25Å; R248-H252 PolarHBondContact O-N 3.32Å | ||
| 249 | T | 87 | Confident | 90.6 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.1 | 178.3 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | D65 S66 F251 | D65-T249 HydrophobicContact CB-CG2 4.33Å; S66-T249 VanDerWaalsContact CB-O 3.28Å; S66-T249 WeakPolarHBondContact CB-O 3.46Å; S66-T249 PolarHBondContact OG-O 3.01Å; T249-F251 VanDerWaalsContact C-N 3.3Å |
| 250 | D | 88.8 | Confident | 90.3 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.4 | 174.1 | 70.5 | -53.2 | 0 | 0 | 0 | 113.3 | R248 | R248-D250 WeakPolarHBondContact CB-OD1 3.49Å; R248-D250 IonicContact CZ-OD1 3.5Å; R248-D250 IonicContact CZ-OD2 3.54Å; R248-D250 IonicContact NE-OD1 2.89Å; R248-D250 PolarHBondContact NE-OD1 3.03Å; R248-D250 IonicContact NE-OD2 3.74Å; R248-D250 IonicContact NH2-OD1 3.3Å; R248-D250 PolarHBondContact NH2-OD1 3.03Å; R248-D250 IonicContact NH2-OD2 2.66Å; R248-D250 PolarHBondContact NH2-OD2 2.71Å; R248-D250 PolarHBondContact O-N 3.41Å |
| 251 | F | 92.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -20.7 | 174.7 | -70.9 | -2.7 | 0 | 0 | 0 | 113.6 | I245 R248 T249 R253 F254 T286 F287 A290 | I245-F251 HydrophobicContact CG1-CB 4.29Å; R248-F251 HydrophobicContact CB-CB 4.07Å; R248-F251 HydrophobicContact CB-CD2 3.9Å; R248-F251 HydrophobicContact CB-CG 3.92Å; R248-F251 HydrophobicContact CG-CD2 4.41Å; R248-F251 VanDerWaalsContact CZ-CE1 3.43Å; R248-F251 WeakPolarHBondContact O-CA 3.15Å; R248-F251 WeakPolarHBondContact O-CB 3.18Å; R248-F251 PolarHBondContact O-N 2.62Å; T249-F251 VanDerWaalsContact C-N 3.3Å; F251-R253 PolarHBondContact O-N 3.23Å; F251-F254 HydrophobicContact CB-CD2 4.5Å; F251-F254 HydrophobicContact CD1-CE2 4.37Å; F251-F254 WeakPolarHBondContact O-CD2 3.35Å; F251-F254 PolarHBondContact O-N 2.95Å; F251-T286 HydrophobicContact CE1-CG2 4.1Å; F251-T286 HydrophobicContact CZ-CG2 4.32Å; F251-F287 HydrophobicContact CB-CD2 4.08Å; F251-F287 HydrophobicContact CB-CE2 4.2Å; F251-F287 HydrophobicContact CD1-CB 4.35Å; F251-F287 AromaticContact CD1-CD2 3.78Å; F251-F287 HydrophobicContact CD1-CD2 3.78Å; F251-F287 AromaticContact CD2-CD2 3.79Å; F251-F287 HydrophobicContact CD2-CD2 3.79Å; F251-F287 HydrophobicContact CD2-CE2 4.13Å; F251-F287 HydrophobicContact CE1-CB 4.09Å; F251-F287 HydrophobicContact CE1-CD2 4.03Å; F251-F287 HydrophobicContact CE2-CD2 4.04Å; F251-F287 AromaticContact CG-CD2 3.64Å; F251-F287 HydrophobicContact CG-CD2 3.64Å; F251-F287 HydrophobicContact CG-CE2 4.13Å; F251-F287 HydrophobicContact CZ-CD2 4.13Å; F251-A290 HydrophobicContact CE2-CB 3.49Å; F251-A290 VanDerWaalsContact CE2-CB 3.49Å; F251-A290 HydrophobicContact CZ-CB 3.67Å |
| 252 | H | 88.5 | Confident | 90 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -50.3 | -37.5 | -178.9 | -75.8 | -160.8 | 0 | 0 | 0 | 112.9 | D65 I245 N246 R248 F254 L255 | D65-H252 IonicContact OD2-CE1 3.22Å; D65-H252 IonicContact OD2-CG 2.65Å; D65-H252 IonicContact OD2-ND1 3.11Å; D65-H252 PolarHBondContact OD2-ND1 2.99Å; I245-H252 PolarHBondContact O-CD2 3.44Å; I245-H252 PolarHBondContact O-NE2 3.09Å; I245-H252 VanDerWaalsContact O-NE2 3.09Å; N246-H252 WeakPolarHBondContact CA-NE2 3.26Å; N246-H252 PolarHBondContact O-NE2 3.26Å; R248-H252 PolarHBondContact O-CD2 3.32Å; R248-H252 VanDerWaalsContact O-CD2 3.25Å; R248-H252 PolarHBondContact O-N 3.32Å; H252-F254 PolarHBondContact O-N 3.03Å; H252-F254 VanDerWaalsContact O-N 3.11Å; H252-L255 WeakPolarHBondContact O-CB 3.47Å; H252-L255 PolarHBondContact O-N 2.77Å; H252-L255 VanDerWaalsContact O-N 3.08Å |
| 253 | R | 86.9 | Confident | 90 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -57.2 | -29.6 | -179.5 | 73.8 | 179.7 | -60.9 | 178.6 | 3 | 113.6 | T64 M70 F251 L255 M256 T257 E278 E283 | T64-R253 HydrophobicContact CG2-CB 3.94Å; M70-R253 HydrophobicContact CE-CB 3.87Å; F251-R253 PolarHBondContact O-N 3.23Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 2.98Å; R253-M256 CarbonylContact O-C 3.58Å; R253-M256 WeakPolarHBondContact O-CA 3.34Å; R253-M256 WeakPolarHBondContact O-CB 3.38Å; R253-M256 PolarHBondContact O-N 2.95Å; R253-T257 PolarHBondContact O-N 2.83Å; R253-T257 PolarHBondContact O-OG1 2.9Å; R253-T257 VanDerWaalsContact O-OG1 3.08Å; R253-E278 PolarHBondContact NH2-O 2.9Å; R253-E283 IonicContact CZ-OE1 2.75Å; R253-E283 IonicContact NH1-OE1 3.33Å; R253-E283 PolarHBondContact NH1-OE1 3.48Å; R253-E283 IonicContact NH1-OE2 2.71Å; R253-E283 PolarHBondContact NH1-OE2 3.47Å |
| 254 | F | 90.2 | Very high | 90 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -73 | -14.6 | -178.7 | -62.5 | -74.4 | 0 | 0 | 0 | 113.7 | F251 H252 M256 G260 I270 G271 V279 E283 F287 | F251-F254 HydrophobicContact CB-CD2 4.5Å; F251-F254 HydrophobicContact CD1-CE2 4.37Å; F251-F254 WeakPolarHBondContact O-CD2 3.35Å; F251-F254 PolarHBondContact O-N 2.95Å; H252-F254 PolarHBondContact O-N 3.03Å; H252-F254 VanDerWaalsContact O-N 3.11Å; F254-M256 PolarHBondContact O-N 2.7Å; F254-G260 CarbonylContact O-C 3.52Å; F254-I270 HydrophobicContact CB-CG2 4.31Å; F254-G271 WeakPolarHBondContact CD1-O 3.36Å; F254-V279 HydrophobicContact CE1-CG1 3.9Å; F254-V279 HydrophobicContact CZ-CG1 3.98Å; F254-E283 HydrophobicContact CZ-CB 4.44Å; F254-F287 HydrophobicContact CB-CD1 4.09Å; F254-F287 HydrophobicContact CB-CE1 3.69Å; F254-F287 HydrophobicContact CB-CE2 4.17Å; F254-F287 HydrophobicContact CB-CG 4.5Å; F254-F287 HydrophobicContact CB-CZ 3.73Å; F254-F287 AromaticContact CD1-CD1 3.76Å; F254-F287 HydrophobicContact CD1-CD1 3.76Å; F254-F287 HydrophobicContact CD1-CE1 4.13Å; F254-F287 HydrophobicContact CD1-CG 4.22Å; F254-F287 HydrophobicContact CD2-CB 3.8Å; F254-F287 AromaticContact CD2-CD1 3.68Å; F254-F287 HydrophobicContact CD2-CD1 3.68Å; F254-F287 AromaticContact CD2-CD2 3.5Å; F254-F287 HydrophobicContact CD2-CD2 3.5Å; F254-F287 VanDerWaalsContact CD2-CD2 3.5Å; F254-F287 HydrophobicContact CD2-CE1 4.1Å; F254-F287 AromaticContact CD2-CE2 3.93Å; F254-F287 HydrophobicContact CD2-CE2 3.93Å; F254-F287 AromaticContact CD2-CG 3.35Å; F254-F287 HydrophobicContact CD2-CG 3.35Å; F254-F287 HydrophobicContact CD2-CZ 4.21Å; F254-F287 HydrophobicContact CE1-CB 4.19Å; F254-F287 HydrophobicContact CE1-CD1 4.03Å; F254-F287 HydrophobicContact CE1-CG 4.26Å; F254-F287 HydrophobicContact CE2-CB 3.31Å; F254-F287 HydrophobicContact CE2-CD1 4.01Å; F254-F287 AromaticContact CE2-CD2 3.89Å; F254-F287 HydrophobicContact CE2-CD2 3.89Å; F254-F287 AromaticContact CE2-CG 3.46Å; F254-F287 HydrophobicContact CE2-CG 3.46Å; F254-F287 VanDerWaalsContact CE2-CG 3.46Å; F254-F287 HydrophobicContact CG-CB 4.45Å; F254-F287 AromaticContact CG-CD1 3.56Å; F254-F287 HydrophobicContact CG-CD1 3.56Å; F254-F287 HydrophobicContact CG-CD2 4.13Å; F254-F287 AromaticContact CG-CE1 3.71Å; F254-F287 HydrophobicContact CG-CE1 3.71Å; F254-F287 HydrophobicContact CG-CE2 4.25Å; F254-F287 AromaticContact CG-CG 3.78Å; F254-F287 HydrophobicContact CG-CG 3.78Å; F254-F287 HydrophobicContact CG-CZ 4.06Å; F254-F287 HydrophobicContact CZ-CB 3.52Å; F254-F287 HydrophobicContact CZ-CD1 4.15Å; F254-F287 AromaticContact CZ-CG 3.91Å; F254-F287 HydrophobicContact CZ-CG 3.91Å |
| 255 | L | 87.6 | Confident | 90.1 | Very high | 28 Ų | 28 | 29.5 Ų | 29.5 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -61.3 | -22.2 | 164.9 | -66 | 175.6 | 0 | 0 | 0 | 112 | R154 L242 I245 H252 R253 G260 F261 | R154-L255 PolarHBondContact NE-O 3.22Å; L242-L255 HydrophobicContact CD2-CD2 4.07Å; I245-L255 HydrophobicContact CD1-CD2 3.82Å; I245-L255 HydrophobicContact CD1-CG 4.37Å; I245-L255 HydrophobicContact CG2-CD1 3.8Å; I245-L255 HydrophobicContact CG2-CD2 4.09Å; I245-L255 HydrophobicContact CG2-CG 3.74Å; H252-L255 WeakPolarHBondContact O-CB 3.47Å; H252-L255 PolarHBondContact O-N 2.77Å; H252-L255 VanDerWaalsContact O-N 3.08Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 2.98Å; L255-G260 WeakPolarHBondContact O-CA 3.5Å; L255-F261 HydrophobicContact CD2-CB 3.68Å; L255-F261 HydrophobicContact CD2-CD2 4.44Å; L255-F261 HydrophobicContact CD2-CG 4.14Å; L255-F261 PolarHBondContact O-N 3.3Å |
| 256 | M | 81.8 | Confident | 90.1 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -15.6 | -162 | -63.9 | 176.3 | -62.2 | 0 | 0 | 112.9 | V8 Y12 M70 N152 R253 F254 G258 | V8-M256 HydrophobicContact CB-CE 3.78Å; V8-M256 HydrophobicContact CB-SD 3.76Å; V8-M256 HydrophobicContact CG1-CB 4.47Å; V8-M256 HydrophobicContact CG1-CE 3.69Å; V8-M256 HydrophobicContact CG1-CG 4.34Å; V8-M256 HydrophobicContact CG1-SD 3.16Å; V8-M256 WeakPolarHBondContact CG1-SD 3.32Å; V8-M256 HydrophobicContact CG2-CE 4.3Å; Y12-M256 HydrophobicContact CD2-SD 4.37Å; Y12-M256 HydrophobicContact CE1-CB 4.43Å; Y12-M256 HydrophobicContact CE1-CG 3.84Å; Y12-M256 HydrophobicContact CE1-SD 4.36Å; Y12-M256 HydrophobicContact CE2-CB 4.48Å; Y12-M256 HydrophobicContact CE2-CG 4.23Å; Y12-M256 HydrophobicContact CE2-SD 4.05Å; Y12-M256 VanDerWaalsContact OH-CB 3.31Å; Y12-M256 WeakPolarHBondContact OH-CB 3.42Å; Y12-M256 PolarHBondContact OH-O 3.07Å; M70-M256 HydrophobicContact CE-CB 3.97Å; M70-M256 HydrophobicContact SD-CB 4.21Å; N152-M256 PolarHBondContact ND2-O 3.49Å; R253-M256 CarbonylContact O-C 3.58Å; R253-M256 WeakPolarHBondContact O-CA 3.34Å; R253-M256 WeakPolarHBondContact O-CB 3.38Å; R253-M256 PolarHBondContact O-N 2.95Å; F254-M256 PolarHBondContact O-N 2.7Å; M256-G258 PolarHBondContact O-N 3.28Å |
| 257 | T | 87 | Confident | 90.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -68.3 | 118.6 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | R253 S259 G260 G271 T274 V279 | R253-T257 PolarHBondContact O-N 2.83Å; R253-T257 PolarHBondContact O-OG1 2.9Å; R253-T257 VanDerWaalsContact O-OG1 3.08Å; T257-S259 PolarHBondContact O-N 3.39Å; T257-S259 VanDerWaalsContact O-N 3.11Å; T257-G260 WeakPolarHBondContact O-CA 3.31Å; T257-G260 PolarHBondContact O-N 3.32Å; T257-G271 WeakPolarHBondContact O-CA 3.48Å; T257-T274 HydrophobicContact CG2-CG2 3.95Å; T257-V279 HydrophobicContact CG2-CG2 3.87Å |
| 258 | G | 86.3 | Confident | 90.6 | Very high | 17 Ų | 17 | 20.5 Ų | 20.5 | 18% | 0.175 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -112.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y153 M256 G260 | Y153-G258 PolarHBondContact N-O 3.4Å; M256-G258 PolarHBondContact O-N 3.28Å; G258-G260 PolarHBondContact O-N 2.96Å |
| 259 | S | 88.5 | Confident | 90.8 | Very high | 30 Ų | 30 | 16 Ų | 16 | 21% | 0.21 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.6 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 113 | T257 Q262 | T257-S259 PolarHBondContact O-N 3.39Å; T257-S259 VanDerWaalsContact O-N 3.11Å; S259-Q262 VanDerWaalsContact O-CG 3.32Å; S259-Q262 WeakPolarHBondContact O-CG 3.41Å; S259-Q262 PolarHBondContact O-NE2 3.43Å |
| 260 | G | 90.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | 65.6 | -155.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F254 L255 T257 G258 I270 G271 | F254-G260 CarbonylContact O-C 3.52Å; L255-G260 WeakPolarHBondContact O-CA 3.5Å; T257-G260 WeakPolarHBondContact O-CA 3.31Å; T257-G260 PolarHBondContact O-N 3.32Å; G258-G260 PolarHBondContact O-N 2.96Å; G260-I270 CarbonylContact O-C 3.56Å; G260-I270 VanDerWaalsContact O-CA 3.25Å; G260-I270 WeakPolarHBondContact O-CA 3.18Å; G260-G271 PolarHBondContact O-N 3.32Å | ||
| 261 | F | 93.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 10.7 Ų | 10.7 | 5% | 0.048 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 116.2 | 173.8 | -171.5 | -80.6 | 0 | 0 | 0 | 110.5 | R154 T238 L241 L242 I245 L255 L268 I270 | R154-F261 PolarHBondContact NH2-O 3.36Å; T238-F261 HydrophobicContact CG2-CE1 3.95Å; T238-F261 HydrophobicContact CG2-CZ 4.02Å; L241-F261 HydrophobicContact CB-CE2 3.93Å; L241-F261 HydrophobicContact CB-CZ 4.36Å; L242-F261 HydrophobicContact CD1-CE1 4.38Å; L242-F261 HydrophobicContact CD2-CD1 4.03Å; L242-F261 HydrophobicContact CD2-CD2 4.43Å; L242-F261 HydrophobicContact CD2-CE1 3.8Å; L242-F261 HydrophobicContact CD2-CE2 4.22Å; L242-F261 HydrophobicContact CD2-CG 4.33Å; L242-F261 HydrophobicContact CD2-CZ 3.9Å; L242-F261 HydrophobicContact CG-CE1 3.99Å; L242-F261 HydrophobicContact CG-CE2 4.46Å; L242-F261 HydrophobicContact CG-CZ 3.85Å; I245-F261 HydrophobicContact CD1-CD2 3.85Å; I245-F261 HydrophobicContact CD1-CE2 4.14Å; L255-F261 HydrophobicContact CD2-CB 3.68Å; L255-F261 HydrophobicContact CD2-CD2 4.44Å; L255-F261 HydrophobicContact CD2-CG 4.14Å; L255-F261 PolarHBondContact O-N 3.3Å; F261-L268 HydrophobicContact CD1-CD1 4.06Å; F261-L268 HydrophobicContact CE1-CD1 3.44Å; F261-L268 VanDerWaalsContact CE1-CD1 3.44Å; F261-L268 HydrophobicContact CE2-CD1 3.95Å; F261-L268 HydrophobicContact CE2-CD2 3.85Å; F261-L268 HydrophobicContact CE2-CG 4.34Å; F261-L268 HydrophobicContact CZ-CD1 3.38Å; F261-L268 HydrophobicContact CZ-CD2 3.8Å; F261-L268 HydrophobicContact CZ-CG 4.17Å; F261-I270 HydrophobicContact CD2-CD1 3.92Å; F261-I270 HydrophobicContact CD2-CG1 3.88Å; F261-I270 HydrophobicContact CD2-CG2 4.27Å; F261-I270 HydrophobicContact CE2-CD1 3.9Å; F261-I270 HydrophobicContact CE2-CG1 4.21Å |
| 262 | Q | 94.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 10.7 Ų | 10.7 | 4% | 0.042 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 113.9 | -174.7 | -61.1 | -177.5 | 2.4 | 0 | 0 | 111.5 | P184 S259 K264 L268 T269 | P184-Q262 HydrophobicContact CG-CB 4.28Å; S259-Q262 VanDerWaalsContact O-CG 3.32Å; S259-Q262 WeakPolarHBondContact O-CG 3.41Å; S259-Q262 PolarHBondContact O-NE2 3.43Å; Q262-K264 PolarHBondContact O-N 2.97Å; Q262-L268 WeakPolarHBondContact O-CD1 3.33Å; Q262-T269 PolarHBondContact N-O 3.44Å; Q262-T269 PolarHBondContact O-N 3.3Å |
| 263 | R | 95.1 | Very high | 91.5 | Very high | 32 Ų | 32 | 10 Ų | 10 | 12% | 0.121 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 93.7 | 171.3 | 178 | 55.9 | 170 | 103.6 | 5.7 | 109.7 | P184 L234 N235 T238 V265 L268 | P184-R263 WeakPolarHBondContact CB-O 3.45Å; L234-R263 VanDerWaalsContact CB-NH2 3.26Å; N235-R263 PolarHBondContact OD1-NH2 3.43Å; T238-R263 WeakPolarHBondContact OG1-CD 3.5Å; R263-V265 PolarHBondContact NH1-O 2.93Å; R263-L268 HydrophobicContact CB-CD1 4.34Å |
| 264 | K | 95 | Very high | 91.3 | Very high | 11 Ų | 11 | 10.7 Ų | 10.7 | 5% | 0.048 | 6% | 0.058 | C | C | . | . | trans | -85.4 | 167 | 173.6 | -58.1 | -175.4 | -169.1 | -173 | 0 | 109.7 | A182 S208 W209 Q262 D266 R267 | A182-K264 WeakPolarHBondContact O-CD 3.22Å; A182-K264 WeakPolarHBondContact O-CE 3.48Å; A182-K264 PolarHBondContact O-NZ 2.89Å; S208-K264 VanDerWaalsContact OG-CA 3.31Å; S208-K264 WeakPolarHBondContact OG-CA 3.38Å; S208-K264 WeakPolarHBondContact OG-CB 3.3Å; W209-K264 HydrophobicContact CE3-CD 4.17Å; W209-K264 HydrophobicContact CH2-CD 3.52Å; W209-K264 HydrophobicContact CZ3-CD 3.28Å; Q262-K264 PolarHBondContact O-N 2.97Å; K264-D266 PolarHBondContact O-N 2.82Å; K264-R267 CarbonylContact C-O 3.54Å; K264-R267 HydrophobicContact CB-CG 3.81Å; K264-R267 HydrophobicContact CD-CG 4.05Å; K264-R267 HydrophobicContact CG-CG 4.34Å; K264-R267 PolarHBondContact N-O 3.4Å | ||
| 265 | V | 94.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 16 Ų | 16 | 7% | 0.073 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -55.3 | -47.5 | -174 | 178.5 | 0 | 0 | 0 | 0 | 113 | S208 R211 E212 V221 I226 R263 | S208-V265 PolarHBondContact OG-N 2.69Å; R211-V265 HydrophobicContact CB-CB 4.49Å; R211-V265 HydrophobicContact CB-CG2 4.39Å; R211-V265 HydrophobicContact CG-CB 4.21Å; R211-V265 HydrophobicContact CG-CG1 4.06Å; R211-V265 HydrophobicContact CG-CG2 4.42Å; E212-V265 HydrophobicContact CB-CG2 3.75Å; E212-V265 VanDerWaalsContact CD-CG2 3.48Å; E212-V265 HydrophobicContact CG-CG2 3.6Å; V221-V265 HydrophobicContact CG1-CB 4.47Å; V221-V265 HydrophobicContact CG1-CG1 3.51Å; V221-V265 HydrophobicContact CG1-CG2 4.01Å; I226-V265 HydrophobicContact CD1-CG1 3.38Å; R263-V265 PolarHBondContact NH1-O 2.93Å |
| 266 | D | 94 | Very high | 90.4 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -105.5 | -0.8 | -171.7 | 67.6 | -21.2 | 0 | 0 | 0 | 114.6 | I226 K264 L318 V321 | I226-D266 HydrophobicContact CD1-CB 4.28Å; K264-D266 PolarHBondContact O-N 2.82Å; D266-L318 PolarHBondContact O-N 3.27Å; D266-L318 VanDerWaalsContact O-N 3.14Å; D266-V321 HydrophobicContact CB-CB 4.48Å; D266-V321 HydrophobicContact CB-CG1 3.95Å; D266-V321 HydrophobicContact CB-CG2 4.02Å |
| 267 | R | 94.6 | Very high | 90.5 | Very high | 24 Ų | 24 | 19.7 Ų | 19.7 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 167.9 | -171.8 | 69.9 | -171.7 | 71.3 | -150.9 | -8.8 | 113.6 | K264 E315 V316 V317 | K264-R267 CarbonylContact C-O 3.54Å; K264-R267 HydrophobicContact CB-CG 3.81Å; K264-R267 HydrophobicContact CD-CG 4.05Å; K264-R267 HydrophobicContact CG-CG 4.34Å; K264-R267 PolarHBondContact N-O 3.4Å; R267-E315 WeakPolarHBondContact CD-OE1 3.44Å; R267-E315 IonicContact NH1-OE1 3.62Å; R267-E315 PolarHBondContact NH1-OE1 2.92Å; R267-E315 IonicContact NH1-OE2 2.74Å; R267-V316 CarbonylContact C-O 3.54Å; R267-V316 WeakPolarHBondContact CA-O 3.18Å; R267-V316 VanDerWaalsContact CB-O 3.26Å; R267-V316 WeakPolarHBondContact CB-O 3.3Å; R267-V317 HydrophobicContact CB-CB 4.16Å; R267-V317 HydrophobicContact CB-CG1 4.22Å; R267-V317 HydrophobicContact CB-CG2 3.84Å |
| 268 | L | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.9 | 164.6 | -174.1 | 72.2 | 0 | 0 | 0 | 109.2 | L241 F261 Q262 R263 I270 E315 V316 | L241-L268 HydrophobicContact CD1-CD2 3.23Å; F261-L268 HydrophobicContact CD1-CD1 4.06Å; F261-L268 HydrophobicContact CE1-CD1 3.44Å; F261-L268 VanDerWaalsContact CE1-CD1 3.44Å; F261-L268 HydrophobicContact CE2-CD1 3.95Å; F261-L268 HydrophobicContact CE2-CD2 3.85Å; F261-L268 HydrophobicContact CE2-CG 4.34Å; F261-L268 HydrophobicContact CZ-CD1 3.38Å; F261-L268 HydrophobicContact CZ-CD2 3.8Å; F261-L268 HydrophobicContact CZ-CG 4.17Å; Q262-L268 WeakPolarHBondContact O-CD1 3.33Å; R263-L268 HydrophobicContact CB-CD1 4.34Å; L268-I270 HydrophobicContact CD2-CD1 3.82Å; L268-I270 HydrophobicContact CD2-CG1 4.11Å; L268-I270 HydrophobicContact CG-CD1 4.31Å; L268-I270 HydrophobicContact CG-CG1 4.04Å; L268-E315 CarbonylContact O-C 3.59Å; L268-E315 VanDerWaalsContact O-CA 3.31Å; L268-E315 WeakPolarHBondContact O-CA 3.14Å; L268-V316 PolarHBondContact N-O 3.46Å; L268-V316 PolarHBondContact O-N 2.97Å |
| 269 | T | 95.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.3 | 172.9 | -56.6 | 0 | 0 | 0 | 0 | 108.5 | Q262 D313 V314 E315 | Q262-T269 PolarHBondContact N-O 3.44Å; Q262-T269 PolarHBondContact O-N 3.3Å; T269-D313 HydrophobicContact CG2-CB 4.24Å; T269-V314 WeakPolarHBondContact CA-O 3.47Å; T269-E315 HydrophobicContact CG2-CG 4.17Å; T269-E315 PolarHBondContact OG1-OE1 2.73Å |
| 270 | I | 95.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.3 | 177.9 | -41.9 | 172.7 | 0 | 0 | 0 | 109.5 | L241 F254 G260 F261 L268 L272 F287 V291 D313 V314 | L241-I270 HydrophobicContact CD1-CD1 4.04Å; F254-I270 HydrophobicContact CB-CG2 4.31Å; G260-I270 CarbonylContact O-C 3.56Å; G260-I270 VanDerWaalsContact O-CA 3.25Å; G260-I270 WeakPolarHBondContact O-CA 3.18Å; F261-I270 HydrophobicContact CD2-CD1 3.92Å; F261-I270 HydrophobicContact CD2-CG1 3.88Å; F261-I270 HydrophobicContact CD2-CG2 4.27Å; F261-I270 HydrophobicContact CE2-CD1 3.9Å; F261-I270 HydrophobicContact CE2-CG1 4.21Å; L268-I270 HydrophobicContact CD2-CD1 3.82Å; L268-I270 HydrophobicContact CD2-CG1 4.11Å; L268-I270 HydrophobicContact CG-CD1 4.31Å; L268-I270 HydrophobicContact CG-CG1 4.04Å; I270-L272 PolarHBondContact O-N 3.45Å; I270-F287 HydrophobicContact CB-CE1 4.38Å; I270-F287 HydrophobicContact CD1-CE1 4.34Å; I270-F287 HydrophobicContact CD1-CZ 4.24Å; I270-F287 HydrophobicContact CG2-CE1 3.65Å; I270-F287 HydrophobicContact CG2-CZ 3.94Å; I270-V291 HydrophobicContact CD1-CG2 4.07Å; I270-D313 CarbonylContact O-C 3.57Å; I270-D313 VanDerWaalsContact O-CA 3.24Å; I270-D313 WeakPolarHBondContact O-CA 3.48Å; I270-D313 WeakPolarHBondContact O-CB 3.42Å; I270-V314 HydrophobicContact CB-CG1 3.98Å; I270-V314 PolarHBondContact N-O 3.49Å; I270-V314 PolarHBondContact O-N 3.25Å |
| 271 | G | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 127.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F254 T257 G260 L312 | F254-G271 WeakPolarHBondContact CD1-O 3.36Å; T257-G271 WeakPolarHBondContact O-CA 3.48Å; G260-G271 PolarHBondContact O-N 3.32Å; G271-L312 CarbonylContact C-O 3.56Å |
| 272 | L | 92.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | trans | -100.2 | -23 | 177.1 | -67.9 | -176.2 | 0 | 0 | 0 | 112.8 | I270 F287 L288 L312 V314 | I270-L272 PolarHBondContact O-N 3.45Å; L272-F287 HydrophobicContact CD2-CD1 3.63Å; L272-F287 HydrophobicContact CD2-CE1 4.14Å; L272-L288 HydrophobicContact CD1-CD1 4.42Å; L272-L312 PolarHBondContact N-O 3Å; L272-V314 HydrophobicContact CD1-CB 3.93Å; L272-V314 HydrophobicContact CD1-CG1 4.2Å; L272-V314 HydrophobicContact CD2-CG1 3.86Å; L272-V314 HydrophobicContact CG-CB 4.21Å; L272-V314 HydrophobicContact CG-CG1 3.98Å | ||
| 273 | Q | 89.9 | Confident | 90.3 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | trans | -149.6 | 150.8 | -174.3 | -175.4 | 55.2 | -81.7 | 0 | 0 | 111.6 | G277 V279 K311 L312 | Q273-G277 VanDerWaalsContact OE1-C 3.23Å; Q273-V279 PolarHBondContact NE2-O 3.3Å; Q273-K311 WeakPolarHBondContact CB-O 3.28Å; Q273-L312 HydrophobicContact CB-CD2 4.24Å; Q273-L312 HydrophobicContact CG-CD2 4.33Å; Q273-L312 PolarHBondContact N-O 3.44Å; Q273-L312 VanDerWaalsContact N-O 3.13Å | ||
| 274 | T | 82.7 | Confident | 90.2 | Very high | 18 Ų | 18 | 35 Ų | 35 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | trans | -85.1 | 158.4 | 170.4 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | T257 S276 G277 E278 | T257-T274 HydrophobicContact CG2-CG2 3.95Å; T274-S276 PolarHBondContact O-N 3.44Å; T274-S276 VanDerWaalsContact O-N 3.09Å; T274-S276 PolarHBondContact OG1-N 3.44Å; T274-S276 PolarHBondContact OG1-OG 2.89Å; T274-G277 PolarHBondContact O-N 3.15Å; T274-G277 PolarHBondContact OG1-N 2.7Å; T274-G277 VanDerWaalsContact OG1-N 3.15Å; T274-E278 HydrophobicContact CG2-CB 4.29Å; T274-E278 PolarHBondContact OG1-N 2.66Å; T274-E278 VanDerWaalsContact OG1-N 3.09Å | ||
| 275 | V | 79.5 | Confident | 90.2 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 68% | 0.679 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.8 | 172.1 | -64 | 0 | 0 | 0 | 0 | 112.8 | ||
| 276 | S | 79.6 | Confident | 90.2 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 46% | 0.462 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.6 | 177.1 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | T274 E278 | T274-S276 PolarHBondContact O-N 3.44Å; T274-S276 VanDerWaalsContact O-N 3.09Å; T274-S276 PolarHBondContact OG1-N 3.44Å; T274-S276 PolarHBondContact OG1-OG 2.89Å; S276-E278 WeakPolarHBondContact OG-CG 3.48Å; S276-E278 PolarHBondContact OG-OE1 3.05Å |
| 277 | G | 83.7 | Confident | 90.3 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | trans | 74.6 | 39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q273 T274 | Q273-G277 VanDerWaalsContact OE1-C 3.23Å; T274-G277 PolarHBondContact O-N 3.15Å; T274-G277 PolarHBondContact OG1-N 2.7Å; T274-G277 VanDerWaalsContact OG1-N 3.15Å | ||
| 278 | E | 83.3 | Confident | 90.4 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 16% | 0.159 | 24% | 0.24 | C | C | . | . | trans | -87.6 | -15.6 | -172.6 | -74.1 | 174 | -166.3 | 0 | 0 | 116.2 | R71 R253 T274 S276 | R71-E278 WeakPolarHBondContact CB-OE1 3.42Å; R71-E278 IonicContact CZ-OE1 3.52Å; R71-E278 VanDerWaalsContact CZ-OE1 3.3Å; R71-E278 PolarHBondContact N-OE2 3.14Å; R71-E278 IonicContact NE-OE1 3.51Å; R71-E278 PolarHBondContact NE-OE1 3.21Å; R71-E278 IonicContact NH2-OE1 3.82Å; R71-E278 PolarHBondContact NH2-OE1 3.12Å; R253-E278 PolarHBondContact NH2-O 2.9Å; T274-E278 HydrophobicContact CG2-CB 4.29Å; T274-E278 PolarHBondContact OG1-N 2.66Å; T274-E278 VanDerWaalsContact OG1-N 3.09Å; S276-E278 WeakPolarHBondContact OG-CG 3.48Å; S276-E278 PolarHBondContact OG-OE1 3.05Å | ||
| 279 | V | 87.8 | Confident | 90.4 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -85.5 | 128.1 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | F254 T257 Q273 E283 | F254-V279 HydrophobicContact CE1-CG1 3.9Å; F254-V279 HydrophobicContact CZ-CG1 3.98Å; T257-V279 HydrophobicContact CG2-CG2 3.87Å; Q273-V279 PolarHBondContact NE2-O 3.3Å; V279-E283 HydrophobicContact CG1-CB 3.68Å |
| 280 | T | 89.7 | Confident | 90.5 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | trans | -68.1 | 150.8 | 175.5 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | Q282 E283 S284 | T280-Q282 PolarHBondContact O-N 3.44Å; T280-Q282 VanDerWaalsContact O-N 3.16Å; T280-E283 WeakPolarHBondContact CB-OE2 3.49Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.36Å; T280-E283 PolarHBondContact N-OE2 3.13Å; T280-E283 PolarHBondContact O-N 3.45Å; T280-E283 WeakPolarHBondContact OG1-CB 3.37Å; T280-E283 WeakPolarHBondContact OG1-CG 3.49Å; T280-E283 PolarHBondContact OG1-N 2.95Å; T280-E283 PolarHBondContact OG1-OE2 3.17Å; T280-S284 PolarHBondContact O-N 3.13Å | ||
| 281 | D | 91 | Very high | 90.5 | Very high | 142 Ų | 142 | 47.4 Ų | 47.4 | 76% | 0.759 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.7 | -35.7 | 176.9 | -67.1 | -19.5 | 0 | 0 | 0 | 111.8 | K285 | D281-K285 WeakPolarHBondContact O-CB 3.25Å; D281-K285 PolarHBondContact O-N 3.26Å |
| 282 | Q | 92.9 | Very high | 90.8 | Very high | 126 Ų | 126 | 51.6 Ų | 51.6 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | 176.9 | -176.1 | 58.6 | 52.9 | 0 | 0 | 112.2 | T280 T286 | T280-Q282 PolarHBondContact O-N 3.44Å; T280-Q282 VanDerWaalsContact O-N 3.16Å; Q282-T286 PolarHBondContact NE2-OG1 3.39Å; Q282-T286 VanDerWaalsContact NE2-OG1 3.13Å; Q282-T286 WeakPolarHBondContact O-CB 3.14Å; Q282-T286 PolarHBondContact O-N 3.1Å; Q282-T286 PolarHBondContact O-OG1 2.81Å |
| 283 | E | 90.9 | Very high | 91 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -50.1 | 175.4 | -75.7 | 168.1 | 111 | 0 | 0 | 111.2 | R68 R253 F254 V279 T280 K285 T286 F287 | R68-E283 VanDerWaalsContact CD-OE1 3.3Å; R68-E283 WeakPolarHBondContact CD-OE1 3.46Å; R68-E283 IonicContact CZ-OE1 2.67Å; R68-E283 IonicContact NE-OE1 3.15Å; R68-E283 VanDerWaalsContact NH1-CD 3.27Å; R68-E283 VanDerWaalsContact NH1-CG 3.32Å; R68-E283 IonicContact NH1-OE1 3.89Å; R68-E283 PolarHBondContact NH1-OE1 3.47Å; R253-E283 IonicContact CZ-OE1 2.75Å; R253-E283 IonicContact NH1-OE1 3.33Å; R253-E283 PolarHBondContact NH1-OE1 3.48Å; R253-E283 IonicContact NH1-OE2 2.71Å; R253-E283 PolarHBondContact NH1-OE2 3.47Å; F254-E283 HydrophobicContact CZ-CB 4.44Å; V279-E283 HydrophobicContact CG1-CB 3.68Å; T280-E283 WeakPolarHBondContact CB-OE2 3.49Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.36Å; T280-E283 PolarHBondContact N-OE2 3.13Å; T280-E283 PolarHBondContact O-N 3.45Å; T280-E283 WeakPolarHBondContact OG1-CB 3.37Å; T280-E283 WeakPolarHBondContact OG1-CG 3.49Å; T280-E283 PolarHBondContact OG1-N 2.95Å; T280-E283 PolarHBondContact OG1-OE2 3.17Å; E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 3.49Å; E283-T286 PolarHBondContact O-N 3.04Å; E283-F287 PolarHBondContact O-N 3.07Å |
| 284 | S | 93.2 | Very high | 91.4 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 179.3 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | T280 F287 L288 | T280-S284 PolarHBondContact O-N 3.13Å; S284-F287 PolarHBondContact O-N 3.33Å; S284-L288 VanDerWaalsContact O-CB 3.31Å; S284-L288 WeakPolarHBondContact O-CB 3.33Å; S284-L288 PolarHBondContact O-N 3.37Å |
| 285 | K | 94.7 | Very high | 92.1 | Very high | 122 Ų | 122 | 56.6 Ų | 56.6 | 53% | 0.53 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.2 | -176 | 179.2 | 178.4 | -178.6 | 0 | 112.8 | D281 E283 F287 L288 D289 | D281-K285 WeakPolarHBondContact O-CB 3.25Å; D281-K285 PolarHBondContact O-N 3.26Å; E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 3.49Å; K285-F287 VanDerWaalsContact C-N 3.27Å; K285-F287 PolarHBondContact O-N 2.97Å; K285-L288 PolarHBondContact O-N 3.36Å; K285-D289 VanDerWaalsContact O-CG 3.28Å; K285-D289 PolarHBondContact O-N 3.38Å |
| 286 | T | 95.1 | Very high | 93 | Very high | 40 Ų | 40 | 56.8 Ų | 56.8 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | -179.3 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | F251 Q282 E283 A290 | F251-T286 HydrophobicContact CE1-CG2 4.1Å; F251-T286 HydrophobicContact CZ-CG2 4.32Å; Q282-T286 PolarHBondContact NE2-OG1 3.39Å; Q282-T286 VanDerWaalsContact NE2-OG1 3.13Å; Q282-T286 WeakPolarHBondContact O-CB 3.14Å; Q282-T286 PolarHBondContact O-N 3.1Å; Q282-T286 PolarHBondContact O-OG1 2.81Å; E283-T286 PolarHBondContact O-N 3.04Å; T286-A290 PolarHBondContact O-N 3.3Å |
| 287 | F | 95.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74 | -40.9 | 176.8 | -177.1 | -109.2 | 0 | 0 | 0 | 112.2 | I245 F251 F254 I270 L272 E283 S284 K285 D289 A290 V291 | I245-F287 HydrophobicContact CD1-CE2 4.3Å; I245-F287 HydrophobicContact CD1-CZ 4.2Å; I245-F287 HydrophobicContact CG1-CE2 3.9Å; I245-F287 HydrophobicContact CG1-CZ 4.31Å; F251-F287 HydrophobicContact CB-CD2 4.08Å; F251-F287 HydrophobicContact CB-CE2 4.2Å; F251-F287 HydrophobicContact CD1-CB 4.35Å; F251-F287 AromaticContact CD1-CD2 3.78Å; F251-F287 HydrophobicContact CD1-CD2 3.78Å; F251-F287 AromaticContact CD2-CD2 3.79Å; F251-F287 HydrophobicContact CD2-CD2 3.79Å; F251-F287 HydrophobicContact CD2-CE2 4.13Å; F251-F287 HydrophobicContact CE1-CB 4.09Å; F251-F287 HydrophobicContact CE1-CD2 4.03Å; F251-F287 HydrophobicContact CE2-CD2 4.04Å; F251-F287 AromaticContact CG-CD2 3.64Å; F251-F287 HydrophobicContact CG-CD2 3.64Å; F251-F287 HydrophobicContact CG-CE2 4.13Å; F251-F287 HydrophobicContact CZ-CD2 4.13Å; F254-F287 HydrophobicContact CB-CD1 4.09Å; F254-F287 HydrophobicContact CB-CE1 3.69Å; F254-F287 HydrophobicContact CB-CE2 4.17Å; F254-F287 HydrophobicContact CB-CG 4.5Å; F254-F287 HydrophobicContact CB-CZ 3.73Å; F254-F287 AromaticContact CD1-CD1 3.76Å; F254-F287 HydrophobicContact CD1-CD1 3.76Å; F254-F287 HydrophobicContact CD1-CE1 4.13Å; F254-F287 HydrophobicContact CD1-CG 4.22Å; F254-F287 HydrophobicContact CD2-CB 3.8Å; F254-F287 AromaticContact CD2-CD1 3.68Å; F254-F287 HydrophobicContact CD2-CD1 3.68Å; F254-F287 AromaticContact CD2-CD2 3.5Å; F254-F287 HydrophobicContact CD2-CD2 3.5Å; F254-F287 VanDerWaalsContact CD2-CD2 3.5Å; F254-F287 HydrophobicContact CD2-CE1 4.1Å; F254-F287 AromaticContact CD2-CE2 3.93Å; F254-F287 HydrophobicContact CD2-CE2 3.93Å; F254-F287 AromaticContact CD2-CG 3.35Å; F254-F287 HydrophobicContact CD2-CG 3.35Å; F254-F287 HydrophobicContact CD2-CZ 4.21Å; F254-F287 HydrophobicContact CE1-CB 4.19Å; F254-F287 HydrophobicContact CE1-CD1 4.03Å; F254-F287 HydrophobicContact CE1-CG 4.26Å; F254-F287 HydrophobicContact CE2-CB 3.31Å; F254-F287 HydrophobicContact CE2-CD1 4.01Å; F254-F287 AromaticContact CE2-CD2 3.89Å; F254-F287 HydrophobicContact CE2-CD2 3.89Å; F254-F287 AromaticContact CE2-CG 3.46Å; F254-F287 HydrophobicContact CE2-CG 3.46Å; F254-F287 VanDerWaalsContact CE2-CG 3.46Å; F254-F287 HydrophobicContact CG-CB 4.45Å; F254-F287 AromaticContact CG-CD1 3.56Å; F254-F287 HydrophobicContact CG-CD1 3.56Å; F254-F287 HydrophobicContact CG-CD2 4.13Å; F254-F287 AromaticContact CG-CE1 3.71Å; F254-F287 HydrophobicContact CG-CE1 3.71Å; F254-F287 HydrophobicContact CG-CE2 4.25Å; F254-F287 AromaticContact CG-CG 3.78Å; F254-F287 HydrophobicContact CG-CG 3.78Å; F254-F287 HydrophobicContact CG-CZ 4.06Å; F254-F287 HydrophobicContact CZ-CB 3.52Å; F254-F287 HydrophobicContact CZ-CD1 4.15Å; F254-F287 AromaticContact CZ-CG 3.91Å; F254-F287 HydrophobicContact CZ-CG 3.91Å; I270-F287 HydrophobicContact CB-CE1 4.38Å; I270-F287 HydrophobicContact CD1-CE1 4.34Å; I270-F287 HydrophobicContact CD1-CZ 4.24Å; I270-F287 HydrophobicContact CG2-CE1 3.65Å; I270-F287 HydrophobicContact CG2-CZ 3.94Å; L272-F287 HydrophobicContact CD2-CD1 3.63Å; L272-F287 HydrophobicContact CD2-CE1 4.14Å; E283-F287 PolarHBondContact O-N 3.07Å; S284-F287 PolarHBondContact O-N 3.33Å; K285-F287 VanDerWaalsContact C-N 3.27Å; K285-F287 PolarHBondContact O-N 2.97Å; F287-D289 VanDerWaalsContact C-N 3.29Å; F287-D289 PolarHBondContact O-N 3.31Å; F287-A290 WeakPolarHBondContact O-CA 3.26Å; F287-A290 WeakPolarHBondContact O-CB 3.32Å; F287-A290 PolarHBondContact O-N 3.05Å; F287-V291 HydrophobicContact CD1-CG2 4.21Å; F287-V291 HydrophobicContact CE1-CG2 3.85Å; F287-V291 HydrophobicContact CZ-CG2 4.07Å; F287-V291 WeakPolarHBondContact O-CG2 3.2Å; F287-V291 PolarHBondContact O-N 3.34Å |
| 288 | L | 96 | Very high | 94.5 | Very high | 33 Ų | 33 | 56.5 Ų | 56.5 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 173.5 | -179.5 | 60.7 | 0 | 0 | 0 | 111.5 | L272 S284 K285 A290 V291 M292 H309 V314 | L272-L288 HydrophobicContact CD1-CD1 4.42Å; S284-L288 VanDerWaalsContact O-CB 3.31Å; S284-L288 WeakPolarHBondContact O-CB 3.33Å; S284-L288 PolarHBondContact O-N 3.37Å; K285-L288 PolarHBondContact O-N 3.36Å; L288-A290 VanDerWaalsContact C-N 3.29Å; L288-A290 PolarHBondContact O-N 3.43Å; L288-V291 WeakPolarHBondContact O-CB 3.24Å; L288-V291 PolarHBondContact O-N 3.3Å; L288-V291 VanDerWaalsContact O-N 3.1Å; L288-M292 HydrophobicContact CD1-CG 4.44Å; L288-M292 WeakPolarHBondContact O-CG 3.34Å; L288-M292 PolarHBondContact O-N 2.81Å; L288-H309 HydrophobicContact CD1-CB 4.41Å; L288-V314 HydrophobicContact CD1-CB 4.23Å; L288-V314 HydrophobicContact CD1-CG2 3.93Å |
| 289 | D | 96.7 | Very high | 95.1 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 175.3 | -70.5 | -21.4 | 0 | 0 | 0 | 111.5 | K285 F287 M292 Q293 | K285-D289 VanDerWaalsContact O-CG 3.28Å; K285-D289 PolarHBondContact O-N 3.38Å; F287-D289 VanDerWaalsContact C-N 3.29Å; F287-D289 PolarHBondContact O-N 3.31Å; D289-M292 PolarHBondContact O-N 3.26Å; D289-Q293 WeakPolarHBondContact O-CB 3.44Å; D289-Q293 PolarHBondContact O-N 2.99Å |
| 290 | A | 96.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 21% | 0.207 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F251 T286 F287 L288 Q293 A294 | F251-A290 HydrophobicContact CE2-CB 3.49Å; F251-A290 VanDerWaalsContact CE2-CB 3.49Å; F251-A290 HydrophobicContact CZ-CB 3.67Å; T286-A290 PolarHBondContact O-N 3.3Å; F287-A290 WeakPolarHBondContact O-CA 3.26Å; F287-A290 WeakPolarHBondContact O-CB 3.32Å; F287-A290 PolarHBondContact O-N 3.05Å; L288-A290 VanDerWaalsContact C-N 3.29Å; L288-A290 PolarHBondContact O-N 3.43Å; A290-Q293 PolarHBondContact O-N 3.41Å; A290-A294 WeakPolarHBondContact O-CB 3.3Å; A290-A294 PolarHBondContact O-N 3.26Å |
| 291 | V | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 172.5 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | L241 I270 F287 L288 Q293 A294 V295 V314 V316 | L241-V291 HydrophobicContact CD2-CB 4.43Å; L241-V291 HydrophobicContact CD2-CG2 4.03Å; I270-V291 HydrophobicContact CD1-CG2 4.07Å; F287-V291 HydrophobicContact CD1-CG2 4.21Å; F287-V291 HydrophobicContact CE1-CG2 3.85Å; F287-V291 HydrophobicContact CZ-CG2 4.07Å; F287-V291 WeakPolarHBondContact O-CG2 3.2Å; F287-V291 PolarHBondContact O-N 3.34Å; L288-V291 WeakPolarHBondContact O-CB 3.24Å; L288-V291 PolarHBondContact O-N 3.3Å; L288-V291 VanDerWaalsContact O-N 3.1Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; V291-Q293 PolarHBondContact O-N 3.14Å; V291-A294 PolarHBondContact O-N 3.32Å; V291-V295 HydrophobicContact CG1-CG2 4.49Å; V291-V295 WeakPolarHBondContact O-CG2 3.02Å; V291-V295 PolarHBondContact O-N 3.4Å; V291-V314 HydrophobicContact CG1-CG1 4.39Å; V291-V314 HydrophobicContact CG1-CG2 4.24Å; V291-V314 HydrophobicContact CG2-CG1 4.41Å; V291-V316 HydrophobicContact CG1-CG2 4Å |
| 292 | M | 97.7 | Very high | 96 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 178.3 | -65.2 | -53.9 | -66.1 | 0 | 0 | 112 | L288 D289 V295 K296 V307 | L288-M292 HydrophobicContact CD1-CG 4.44Å; L288-M292 WeakPolarHBondContact O-CG 3.34Å; L288-M292 PolarHBondContact O-N 2.81Å; D289-M292 PolarHBondContact O-N 3.26Å; M292-V295 PolarHBondContact O-N 3.46Å; M292-K296 WeakPolarHBondContact O-CB 3.42Å; M292-K296 PolarHBondContact O-N 3.12Å; M292-V307 HydrophobicContact CE-CB 4.43Å; M292-V307 HydrophobicContact CE-CG2 4.22Å; M292-V307 HydrophobicContact SD-CB 4.07Å; M292-V307 HydrophobicContact SD-CG1 3.79Å; M292-V307 HydrophobicContact SD-CG2 3.95Å |
| 293 | Q | 97.5 | Very high | 96 | Very high | 119 Ų | 119 | 57 Ų | 57 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 175.9 | -176.3 | 57.8 | 43.6 | 0 | 0 | 112.3 | D289 A290 V291 K296 T297 | D289-Q293 WeakPolarHBondContact O-CB 3.44Å; D289-Q293 PolarHBondContact O-N 2.99Å; A290-Q293 PolarHBondContact O-N 3.41Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; V291-Q293 PolarHBondContact O-N 3.14Å; Q293-K296 PolarHBondContact O-N 3.02Å; Q293-T297 WeakPolarHBondContact O-CB 3.27Å; Q293-T297 PolarHBondContact O-N 3.43Å; Q293-T297 PolarHBondContact O-OG1 3.41Å |
| 294 | A | 97.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L237 L241 A290 V291 T297 V298 | L237-A294 HydrophobicContact CD1-CB 3.88Å; L241-A294 HydrophobicContact CD2-CB 3.55Å; L241-A294 HydrophobicContact CG-CB 3.91Å; A290-A294 WeakPolarHBondContact O-CB 3.3Å; A290-A294 PolarHBondContact O-N 3.26Å; V291-A294 PolarHBondContact O-N 3.32Å; A294-T297 WeakPolarHBondContact O-CB 3.45Å; A294-T297 PolarHBondContact O-N 2.82Å; A294-V298 PolarHBondContact O-N 2.86Å |
| 295 | V | 97.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | L237 V291 M292 T297 V298 D299 F305 V307 V316 | L237-V295 HydrophobicContact CD1-CG2 3.94Å; L237-V295 HydrophobicContact CD2-CG2 4.18Å; V291-V295 HydrophobicContact CG1-CG2 4.49Å; V291-V295 WeakPolarHBondContact O-CG2 3.02Å; V291-V295 PolarHBondContact O-N 3.4Å; M292-V295 PolarHBondContact O-N 3.46Å; V295-T297 PolarHBondContact O-N 3.1Å; V295-V298 PolarHBondContact O-N 3.01Å; V295-V298 VanDerWaalsContact O-N 3.13Å; V295-D299 PolarHBondContact O-N 3.22Å; V295-F305 HydrophobicContact CG1-CB 4.2Å; V295-F305 HydrophobicContact CG1-CD2 4.42Å; V295-V307 HydrophobicContact CG1-CG2 4.1Å; V295-V307 HydrophobicContact CG2-CG2 4.11Å; V295-V316 HydrophobicContact CG2-CB 4.41Å; V295-V316 HydrophobicContact CG2-CG1 3.75Å; V295-V316 HydrophobicContact CG2-CG2 3.77Å |
| 296 | K | 97.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 54.2 Ų | 54.2 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -28.4 | 178.7 | -170.2 | 64 | 176.4 | -178.8 | 0 | 113.4 | M292 Q293 P300 | M292-K296 WeakPolarHBondContact O-CB 3.42Å; M292-K296 PolarHBondContact O-N 3.12Å; Q293-K296 PolarHBondContact O-N 3.02Å; K296-P300 WeakPolarHBondContact CE-O 3.46Å; K296-P300 PolarHBondContact NZ-O 3.1Å; K296-P300 VanDerWaalsContact O-CA 3.23Å; K296-P300 WeakPolarHBondContact O-CA 3.47Å |
| 297 | T | 97.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72 | -37.1 | 177.2 | -58 | 0 | 0 | 0 | 0 | 111.7 | L240 Q293 A294 V295 | L240-T297 HydrophobicContact CD1-CG2 4.11Å; Q293-T297 WeakPolarHBondContact O-CB 3.27Å; Q293-T297 PolarHBondContact O-N 3.43Å; Q293-T297 PolarHBondContact O-OG1 3.41Å; A294-T297 WeakPolarHBondContact O-CB 3.45Å; A294-T297 PolarHBondContact O-N 2.82Å; V295-T297 PolarHBondContact O-N 3.1Å |
| 298 | V | 97.2 | Very high | 96.1 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -85.9 | -36.2 | 179.6 | -178.1 | 0 | 0 | 0 | 0 | 112 | N233 K236 L237 L240 A294 V295 P300 F305 | N233-V298 HydrophobicContact CB-CG1 3.85Å; K236-V298 HydrophobicContact CB-CG1 4.26Å; K236-V298 HydrophobicContact CB-CG2 4.25Å; L237-V298 HydrophobicContact CB-CG2 4.21Å; L237-V298 HydrophobicContact CD1-CG2 4.46Å; L240-V298 HydrophobicContact CD1-CG2 3.47Å; L240-V298 VanDerWaalsContact CD1-CG2 3.47Å; A294-V298 PolarHBondContact O-N 2.86Å; V295-V298 PolarHBondContact O-N 3.01Å; V295-V298 VanDerWaalsContact O-N 3.13Å; V298-P300 WeakPolarHBondContact O-CD 3.46Å; V298-F305 HydrophobicContact CB-CE2 4.4Å; V298-F305 HydrophobicContact CG1-CE2 3.89Å |
| 299 | D | 96.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | trans | -127.2 | 71.5 | -177 | -174.1 | 19.5 | 0 | 0 | 0 | 110.4 | V295 D301 D302 T303 I304 F305 | V295-D299 PolarHBondContact O-N 3.22Å; D299-D301 PolarHBondContact O-N 3.34Å; D299-D302 PolarHBondContact O-N 2.94Å; D299-D302 PolarHBondContact OD1-N 3.47Å; D299-D302 WeakPolarHBondContact OD2-CA 3.08Å; D299-T303 PolarHBondContact OD1-N 3.48Å; D299-T303 PolarHBondContact OD1-OG1 2.97Å; D299-T303 PolarHBondContact OD2-N 2.95Å; D299-T303 VanDerWaalsContact OD2-N 3.13Å; D299-I304 HydrophobicContact CB-CB 4.23Å; D299-I304 HydrophobicContact CB-CD1 4.12Å; D299-I304 PolarHBondContact OD1-N 3.39Å; D299-I304 WeakPolarHBondContact OD2-CA 3.41Å; D299-I304 WeakPolarHBondContact OD2-CB 3.41Å; D299-I304 PolarHBondContact OD2-N 2.83Å; D299-F305 HydrophobicContact CB-CD2 3.78Å; D299-F305 HydrophobicContact CB-CE2 4.41Å; D299-F305 PolarHBondContact OD2-N 3.44Å | ||
| 300 | P | 96.7 | Very high | 95.5 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.8 | -177.6 | 25.9 | -34.9 | 0 | 0 | 0 | 113 | K296 V298 | K296-P300 WeakPolarHBondContact CE-O 3.46Å; K296-P300 PolarHBondContact NZ-O 3.1Å; K296-P300 VanDerWaalsContact O-CA 3.23Å; K296-P300 WeakPolarHBondContact O-CA 3.47Å; V298-P300 WeakPolarHBondContact O-CD 3.46Å |
| 301 | D | 95.8 | Very high | 95.1 | Very high | 131 Ų | 131 | 71.6 Ų | 71.6 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.8 | -176.3 | -60 | -43.6 | 0 | 0 | 0 | 113.2 | D299 T303 | D299-D301 PolarHBondContact O-N 3.34Å; D301-T303 HydrophobicContact CB-CG2 3.9Å; D301-T303 PolarHBondContact O-N 3.32Å |
| 302 | D | 93.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 75.1 Ų | 75.1 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 54.2 | 50.4 | -177.8 | -175.2 | 36.1 | 0 | 0 | 0 | 111.8 | D299 F305 K319 | D299-D302 PolarHBondContact O-N 2.94Å; D299-D302 PolarHBondContact OD1-N 3.47Å; D299-D302 WeakPolarHBondContact OD2-CA 3.08Å; D302-F305 VanDerWaalsContact OD1-O 3.07Å; D302-K319 PolarHBondContact O-NZ 3.32Å; D302-K319 WeakPolarHBondContact OD1-CE 3.49Å; D302-K319 IonicContact OD1-NZ 3.55Å; D302-K319 PolarHBondContact OD1-NZ 3.01Å; D302-K319 IonicContact OD2-NZ 2.68Å; D302-K319 PolarHBondContact OD2-NZ 3.14Å; D302-K319 VanDerWaalsContact OD2-NZ 3.09Å |
| 303 | T | 93.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 72.2 Ų | 72.2 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -112.6 | -18.7 | -177.2 | 59 | 0 | 0 | 0 | 0 | 113.3 | D299 D301 | D299-T303 PolarHBondContact OD1-N 3.48Å; D299-T303 PolarHBondContact OD1-OG1 2.97Å; D299-T303 PolarHBondContact OD2-N 2.95Å; D299-T303 VanDerWaalsContact OD2-N 3.13Å; D301-T303 HydrophobicContact CB-CG2 3.9Å; D301-T303 PolarHBondContact O-N 3.32Å |
| 304 | I | 94.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 66.6 Ų | 66.6 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -108.5 | -44.2 | -170.1 | -61.3 | 150.4 | 0 | 0 | 0 | 110.9 | N233 D299 L318 K319 | N233-I304 HydrophobicContact CB-CG2 4.09Å; N233-I304 WeakPolarHBondContact ND2-CD1 3.28Å; D299-I304 HydrophobicContact CB-CB 4.23Å; D299-I304 HydrophobicContact CB-CD1 4.12Å; D299-I304 PolarHBondContact OD1-N 3.39Å; D299-I304 WeakPolarHBondContact OD2-CA 3.41Å; D299-I304 WeakPolarHBondContact OD2-CB 3.41Å; D299-I304 PolarHBondContact OD2-N 2.83Å; I304-L318 HydrophobicContact CG2-CD2 3.79Å; I304-L318 CarbonylContact O-C 3.59Å; I304-L318 WeakPolarHBondContact O-CA 3.23Å; I304-K319 PolarHBondContact O-N 2.88Å |
| 305 | F | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.1 | -172.1 | -62.3 | -59.8 | 0 | 0 | 0 | 112.6 | N233 L234 L237 V295 V298 D299 D302 V316 V317 L318 K319 | N233-F305 HydrophobicContact CB-CE2 4.04Å; N233-F305 HydrophobicContact CB-CZ 3.77Å; L234-F305 HydrophobicContact CD2-CD1 4.34Å; L234-F305 HydrophobicContact CD2-CE1 3.46Å; L234-F305 VanDerWaalsContact CD2-CE1 3.46Å; L234-F305 HydrophobicContact CD2-CZ 4.08Å; L234-F305 HydrophobicContact CG-CE1 3.73Å; L234-F305 HydrophobicContact CG-CZ 4.17Å; L237-F305 HydrophobicContact CD2-CE2 4.33Å; L237-F305 HydrophobicContact CD2-CZ 4.36Å; V295-F305 HydrophobicContact CG1-CB 4.2Å; V295-F305 HydrophobicContact CG1-CD2 4.42Å; V298-F305 HydrophobicContact CB-CE2 4.4Å; V298-F305 HydrophobicContact CG1-CE2 3.89Å; D299-F305 HydrophobicContact CB-CD2 3.78Å; D299-F305 HydrophobicContact CB-CE2 4.41Å; D299-F305 PolarHBondContact OD2-N 3.44Å; D302-F305 VanDerWaalsContact OD1-O 3.07Å; F305-V316 HydrophobicContact CB-CG1 3.77Å; F305-V316 HydrophobicContact CD1-CG1 3.87Å; F305-V316 HydrophobicContact CD2-CG1 4.46Å; F305-V316 HydrophobicContact CG-CG1 3.77Å; F305-V317 CarbonylContact C-O 3.55Å; F305-V317 VanDerWaalsContact CA-O 3.31Å; F305-V317 WeakPolarHBondContact CA-O 3.44Å; F305-L318 HydrophobicContact CD1-CD2 4Å; F305-L318 HydrophobicContact CE1-CD2 3.48Å; F305-L318 VanDerWaalsContact CE1-CD2 3.48Å; F305-L318 HydrophobicContact CE1-CG 4.21Å; F305-L318 HydrophobicContact CZ-CD2 4.3Å; F305-K319 VanDerWaalsContact C-CE 3.44Å; F305-K319 WeakPolarHBondContact O-CE 3.43Å |
| 306 | Y | 94.2 | Very high | 94.5 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148.7 | 155.7 | 73.8 | -89.2 | 0 | 0 | 0 | 109.1 | R308 V317 K319 Q322 | Y306-R308 HydrophobicContact CE2-CB 4.5Å; Y306-V317 HydrophobicContact CD1-CB 4.04Å; Y306-V317 HydrophobicContact CD1-CG1 4.46Å; Y306-V317 HydrophobicContact CE1-CB 3.47Å; Y306-V317 VanDerWaalsContact CE1-CB 3.47Å; Y306-V317 HydrophobicContact CE1-CG1 3.54Å; Y306-V317 HydrophobicContact CE1-CG2 4.39Å; Y306-V317 HydrophobicContact CE2-CB 4Å; Y306-V317 HydrophobicContact CE2-CG2 4.1Å; Y306-V317 VanDerWaalsContact CZ-CB 3.44Å; Y306-V317 PolarHBondContact N-O 3.48Å; Y306-V317 PolarHBondContact O-N 2.69Å; Y306-V317 WeakPolarHBondContact OH-CG1 3.42Å; Y306-K319 HydrophobicContact CD1-CG 4.19Å; Y306-Q322 HydrophobicContact CE1-CG 4.32Å |
| 307 | V | 95.2 | Very high | 94.3 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.4 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | M292 V295 V314 E315 V316 | M292-V307 HydrophobicContact CE-CB 4.43Å; M292-V307 HydrophobicContact CE-CG2 4.22Å; M292-V307 HydrophobicContact SD-CB 4.07Å; M292-V307 HydrophobicContact SD-CG1 3.79Å; M292-V307 HydrophobicContact SD-CG2 3.95Å; V295-V307 HydrophobicContact CG1-CG2 4.1Å; V295-V307 HydrophobicContact CG2-CG2 4.11Å; V307-V314 HydrophobicContact CG1-CG2 3.56Å; V307-E315 CarbonylContact C-O 3.48Å; V307-E315 WeakPolarHBondContact CA-O 3.5Å; V307-V316 HydrophobicContact CG1-CG2 4.49Å; V307-V316 HydrophobicContact CG2-CG1 4.34Å; V307-V316 HydrophobicContact CG2-CG2 4.25Å |
| 308 | R | 93.6 | Very high | 94.2 | Very high | 124 Ų | 124 | 56.9 Ų | 56.9 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.7 | 167.1 | -179 | -173.8 | -178 | 176.8 | 5 | 107.4 | Y306 E310 V314 E315 | Y306-R308 HydrophobicContact CE2-CB 4.5Å; R308-E310 IonicContact CZ-OE1 3.16Å; R308-E310 IonicContact NE-OE1 2.62Å; R308-E310 PolarHBondContact NE-OE1 3.45Å; R308-E310 IonicContact NH2-OE1 3.32Å; R308-E310 PolarHBondContact NH2-OE1 3.34Å; R308-V314 CarbonylContact O-C 3.5Å; R308-V314 WeakPolarHBondContact O-CA 3.43Å; R308-E315 HydrophobicContact CB-CB 4.38Å; R308-E315 PolarHBondContact N-O 2.86Å; R308-E315 IonicContact NH1-OE2 3.3Å; R308-E315 PolarHBondContact O-N 3.26Å |
| 309 | H | 90.7 | Very high | 94 | Very high | 126 Ų | 126 | 58.5 Ų | 58.5 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.5 | 174.6 | 74.1 | 96.7 | 0 | 0 | 0 | 109.1 | L288 V314 | L288-H309 HydrophobicContact CD1-CB 4.41Å; H309-V314 HydrophobicContact CB-CG2 4.39Å |
| 310 | E | 89 | Confident | 93.6 | Very high | 93 Ų | 93 | 60.9 Ų | 60.9 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | trans | -119.7 | -174.9 | 173.3 | -61.7 | -162.7 | 170.5 | 0 | 0 | 109.7 | R308 L312 D313 | R308-E310 IonicContact CZ-OE1 3.16Å; R308-E310 IonicContact NE-OE1 2.62Å; R308-E310 PolarHBondContact NE-OE1 3.45Å; R308-E310 IonicContact NH2-OE1 3.32Å; R308-E310 PolarHBondContact NH2-OE1 3.34Å; E310-L312 VanDerWaalsContact C-N 3.3Å; E310-L312 PolarHBondContact O-N 2.93Å; E310-D313 PolarHBondContact N-O 3.38Å | ||
| 311 | K | 88.1 | Confident | 93 | Very high | 174 Ų | 174 | 58.2 Ų | 58.2 | 76% | 0.757 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -64.2 | -37.6 | 177.5 | -176.7 | 178.7 | 177.3 | -176.3 | 0 | 112 | Q273 | Q273-K311 WeakPolarHBondContact CB-O 3.28Š|
| 312 | L | 92.1 | Very high | 91.7 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -95 | -29.7 | -170.6 | -64.9 | -179.1 | 0 | 0 | 0 | 113.7 | G271 L272 Q273 E310 | G271-L312 CarbonylContact C-O 3.56Å; L272-L312 PolarHBondContact N-O 3Å; Q273-L312 HydrophobicContact CB-CD2 4.24Å; Q273-L312 HydrophobicContact CG-CD2 4.33Å; Q273-L312 PolarHBondContact N-O 3.44Å; Q273-L312 VanDerWaalsContact N-O 3.13Å; E310-L312 VanDerWaalsContact C-N 3.3Å; E310-L312 PolarHBondContact O-N 2.93Å |
| 313 | D | 94.3 | Very high | 90.7 | Very high | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 165.6 | -174.1 | 54.5 | 64.5 | 0 | 0 | 0 | 113 | T269 I270 E310 | T269-D313 HydrophobicContact CG2-CB 4.24Å; I270-D313 CarbonylContact O-C 3.57Å; I270-D313 VanDerWaalsContact O-CA 3.24Å; I270-D313 WeakPolarHBondContact O-CA 3.48Å; I270-D313 WeakPolarHBondContact O-CB 3.42Å; E310-D313 PolarHBondContact N-O 3.38Å |
| 314 | V | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.1 | 166.5 | 57.4 | 0 | 0 | 0 | 0 | 109 | T269 I270 L272 L288 V291 V307 R308 H309 | T269-V314 WeakPolarHBondContact CA-O 3.47Å; I270-V314 HydrophobicContact CB-CG1 3.98Å; I270-V314 PolarHBondContact N-O 3.49Å; I270-V314 PolarHBondContact O-N 3.25Å; L272-V314 HydrophobicContact CD1-CB 3.93Å; L272-V314 HydrophobicContact CD1-CG1 4.2Å; L272-V314 HydrophobicContact CD2-CG1 3.86Å; L272-V314 HydrophobicContact CG-CB 4.21Å; L272-V314 HydrophobicContact CG-CG1 3.98Å; L288-V314 HydrophobicContact CD1-CB 4.23Å; L288-V314 HydrophobicContact CD1-CG2 3.93Å; V291-V314 HydrophobicContact CG1-CG1 4.39Å; V291-V314 HydrophobicContact CG1-CG2 4.24Å; V291-V314 HydrophobicContact CG2-CG1 4.41Å; V307-V314 HydrophobicContact CG1-CG2 3.56Å; R308-V314 CarbonylContact O-C 3.5Å; R308-V314 WeakPolarHBondContact O-CA 3.43Å; H309-V314 HydrophobicContact CB-CG2 4.39Å |
| 315 | E | 95.6 | Very high | 90.2 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.3 | 172.9 | -58.5 | -168.5 | 104.2 | 0 | 0 | 110.1 | R267 L268 T269 V307 R308 V317 | R267-E315 WeakPolarHBondContact CD-OE1 3.44Å; R267-E315 IonicContact NH1-OE1 3.62Å; R267-E315 PolarHBondContact NH1-OE1 2.92Å; R267-E315 IonicContact NH1-OE2 2.74Å; L268-E315 CarbonylContact O-C 3.59Å; L268-E315 VanDerWaalsContact O-CA 3.31Å; L268-E315 WeakPolarHBondContact O-CA 3.14Å; T269-E315 HydrophobicContact CG2-CG 4.17Å; T269-E315 PolarHBondContact OG1-OE1 2.73Å; V307-E315 CarbonylContact C-O 3.48Å; V307-E315 WeakPolarHBondContact CA-O 3.5Å; R308-E315 HydrophobicContact CB-CB 4.38Å; R308-E315 PolarHBondContact N-O 2.86Å; R308-E315 IonicContact NH1-OE2 3.3Å; R308-E315 PolarHBondContact O-N 3.26Å; E315-V317 HydrophobicContact CB-CG2 3.94Å |
| 316 | V | 96.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.4 | 167.7 | -171.7 | 0 | 0 | 0 | 0 | 108.3 | L237 R267 L268 V291 V295 F305 V307 | L237-V316 HydrophobicContact CD2-CB 3.93Å; L237-V316 HydrophobicContact CD2-CG1 3.53Å; L237-V316 HydrophobicContact CD2-CG2 4.3Å; R267-V316 CarbonylContact C-O 3.54Å; R267-V316 WeakPolarHBondContact CA-O 3.18Å; R267-V316 VanDerWaalsContact CB-O 3.26Å; R267-V316 WeakPolarHBondContact CB-O 3.3Å; L268-V316 PolarHBondContact N-O 3.46Å; L268-V316 PolarHBondContact O-N 2.97Å; V291-V316 HydrophobicContact CG1-CG2 4Å; V295-V316 HydrophobicContact CG2-CB 4.41Å; V295-V316 HydrophobicContact CG2-CG1 3.75Å; V295-V316 HydrophobicContact CG2-CG2 3.77Å; F305-V316 HydrophobicContact CB-CG1 3.77Å; F305-V316 HydrophobicContact CD1-CG1 3.87Å; F305-V316 HydrophobicContact CD2-CG1 4.46Å; F305-V316 HydrophobicContact CG-CG1 3.77Å; V307-V316 HydrophobicContact CG1-CG2 4.49Å; V307-V316 HydrophobicContact CG2-CG1 4.34Å; V307-V316 HydrophobicContact CG2-CG2 4.25Å |
| 317 | V | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.3 | -167.2 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | R267 F305 Y306 E315 K319 V321 | R267-V317 HydrophobicContact CB-CB 4.16Å; R267-V317 HydrophobicContact CB-CG1 4.22Å; R267-V317 HydrophobicContact CB-CG2 3.84Å; F305-V317 CarbonylContact C-O 3.55Å; F305-V317 VanDerWaalsContact CA-O 3.31Å; F305-V317 WeakPolarHBondContact CA-O 3.44Å; Y306-V317 HydrophobicContact CD1-CB 4.04Å; Y306-V317 HydrophobicContact CD1-CG1 4.46Å; Y306-V317 HydrophobicContact CE1-CB 3.47Å; Y306-V317 VanDerWaalsContact CE1-CB 3.47Å; Y306-V317 HydrophobicContact CE1-CG1 3.54Å; Y306-V317 HydrophobicContact CE1-CG2 4.39Å; Y306-V317 HydrophobicContact CE2-CB 4Å; Y306-V317 HydrophobicContact CE2-CG2 4.1Å; Y306-V317 VanDerWaalsContact CZ-CB 3.44Å; Y306-V317 PolarHBondContact N-O 3.48Å; Y306-V317 PolarHBondContact O-N 2.69Å; Y306-V317 WeakPolarHBondContact OH-CG1 3.42Å; E315-V317 HydrophobicContact CB-CG2 3.94Å; V317-K319 PolarHBondContact O-N 2.87Å; V317-V321 HydrophobicContact CG1-CG2 3.72Å |
| 318 | L | 94.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 132.3 | 173 | -70.8 | 170.7 | 0 | 0 | 0 | 111.5 | I226 L234 D266 I304 F305 S320 V321 | I226-L318 HydrophobicContact CG1-CD1 4.49Å; I226-L318 HydrophobicContact CG2-CD1 3.9Å; L234-L318 HydrophobicContact CD1-CD1 3.54Å; L234-L318 HydrophobicContact CD1-CD2 4.31Å; L234-L318 HydrophobicContact CD1-CG 3.75Å; L234-L318 HydrophobicContact CG-CD1 4.28Å; L234-L318 HydrophobicContact CG-CD2 4.16Å; L234-L318 HydrophobicContact CG-CG 4.08Å; D266-L318 PolarHBondContact O-N 3.27Å; D266-L318 VanDerWaalsContact O-N 3.14Å; I304-L318 HydrophobicContact CG2-CD2 3.79Å; I304-L318 CarbonylContact O-C 3.59Å; I304-L318 WeakPolarHBondContact O-CA 3.23Å; F305-L318 HydrophobicContact CD1-CD2 4Å; F305-L318 HydrophobicContact CE1-CD2 3.48Å; F305-L318 VanDerWaalsContact CE1-CD2 3.48Å; F305-L318 HydrophobicContact CE1-CG 4.21Å; F305-L318 HydrophobicContact CZ-CD2 4.3Å; L318-S320 PolarHBondContact O-N 2.81Å; L318-V321 HydrophobicContact CB-CG2 4.19Å; L318-V321 WeakPolarHBondContact O-CG2 3.45Å; L318-V321 PolarHBondContact O-N 3.27Å |
| 319 | K | 92.7 | Very high | 90.7 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -64 | -26.4 | 175.2 | -68 | -168.8 | -172.7 | -168.4 | 0 | 112.5 | D302 I304 F305 Y306 V317 V321 Q322 | D302-K319 PolarHBondContact O-NZ 3.32Å; D302-K319 WeakPolarHBondContact OD1-CE 3.49Å; D302-K319 IonicContact OD1-NZ 3.55Å; D302-K319 PolarHBondContact OD1-NZ 3.01Å; D302-K319 IonicContact OD2-NZ 2.68Å; D302-K319 PolarHBondContact OD2-NZ 3.14Å; D302-K319 VanDerWaalsContact OD2-NZ 3.09Å; I304-K319 PolarHBondContact O-N 2.88Å; F305-K319 VanDerWaalsContact C-CE 3.44Å; F305-K319 WeakPolarHBondContact O-CE 3.43Å; Y306-K319 HydrophobicContact CD1-CG 4.19Å; V317-K319 PolarHBondContact O-N 2.87Å; K319-V321 PolarHBondContact O-N 3.33Å; K319-Q322 WeakPolarHBondContact O-CB 3.32Å; K319-Q322 VanDerWaalsContact O-CG 3.24Å; K319-Q322 WeakPolarHBondContact O-CG 3.33Å; K319-Q322 PolarHBondContact O-N 3.27Å |
| 320 | S | 87.8 | Confident | 91.1 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -66.5 | -20.2 | 180 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | A225 P227 L318 | A225-S320 WeakPolarHBondContact O-CB 3.43Å; A225-S320 PolarHBondContact O-OG 3.31Å; P227-S320 WeakPolarHBondContact CD-OG 3.33Å; L318-S320 PolarHBondContact O-N 2.81Å |
| 321 | V | 84.1 | Confident | 91.5 | Very high | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -96.5 | 17.1 | 179.7 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | A225 I226 D266 V317 L318 K319 G323 | A225-V321 HydrophobicContact CB-CG1 3.87Å; A225-V321 WeakPolarHBondContact O-CG1 3.42Å; I226-V321 HydrophobicContact CG1-CG1 4.15Å; D266-V321 HydrophobicContact CB-CB 4.48Å; D266-V321 HydrophobicContact CB-CG1 3.95Å; D266-V321 HydrophobicContact CB-CG2 4.02Å; V317-V321 HydrophobicContact CG1-CG2 3.72Å; L318-V321 HydrophobicContact CB-CG2 4.19Å; L318-V321 WeakPolarHBondContact O-CG2 3.45Å; L318-V321 PolarHBondContact O-N 3.27Å; K319-V321 PolarHBondContact O-N 3.33Å; V321-G323 PolarHBondContact O-N 3.29Å |
| 322 | Q | 70.1 | Confident | 92 | Very high | 137 Ų | 137 | 35.5 Ų | 35.5 | 64% | 0.64 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 124.5 | 174.3 | -79.3 | -177.9 | 5.3 | 0 | 0 | 110.7 | Y306 K319 | Y306-Q322 HydrophobicContact CE1-CG 4.32Å; K319-Q322 WeakPolarHBondContact O-CB 3.32Å; K319-Q322 VanDerWaalsContact O-CG 3.24Å; K319-Q322 WeakPolarHBondContact O-CG 3.33Å; K319-Q322 PolarHBondContact O-N 3.27Å |
| 323 | G | 72.7 | Confident | 92.3 | Very high | 84 Ų | 84 | 32.5 Ų | 32.5 | 87% | 0.866 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 137.3 | -20.2 | -171 | 0 | 0 | 0 | 0 | 0 | 113.1 | V321 | V321-G323 PolarHBondContact O-N 3.29Š|
| 324 | G | 82.6 | Confident | 92.5 | Very high | 54 Ų | 54 | 31.1 Ų | 31.1 | 56% | 0.557 | 19% | 0.187 | S | C | * | . | trans | 80.3 | 130.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 325 | W | 93.3 | Very high | 92.6 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 15% | 0.148 | 19% | 0.19 | C | C | . | . | trans | -103.8 | 129.8 | 168.2 | -178.2 | -80.6 | 0 | 0 | 0 | 108.4 | W209 R211 D222 D329 F333 | W209-W325 PolarHBondContact O-NE1 3.03Å; R211-W325 HydrophobicContact CB-CD2 4.3Å; R211-W325 HydrophobicContact CB-CZ2 3.93Å; R211-W325 HydrophobicContact CG-CD2 4.36Å; R211-W325 HydrophobicContact CG-CH2 4.39Å; R211-W325 HydrophobicContact CG-CZ2 4.08Å; D222-W325 HydrophobicContact CB-CH2 3.69Å; D222-W325 HydrophobicContact CB-CZ2 4.42Å; D222-W325 HydrophobicContact CB-CZ3 4.31Å; W325-D329 HydrophobicContact CD2-CB 3.63Å; W325-D329 HydrophobicContact CE3-CB 3.76Å; W325-D329 HydrophobicContact CG-CB 4.2Å; W325-D329 HydrophobicContact CH2-CB 4.11Å; W325-D329 HydrophobicContact CZ2-CB 3.92Å; W325-D329 HydrophobicContact CZ3-CB 4.03Å; W325-F333 HydrophobicContact CH2-CB 4.19Å; W325-F333 HydrophobicContact CZ2-CB 4.25Å | ||
| 326 | T | 96.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | trans | -112 | 165.3 | -178.7 | 68.7 | 0 | 0 | 0 | 0 | 111 | G328 D329 G330 P358 | T326-G328 PolarHBondContact O-N 3.14Å; T326-G328 PolarHBondContact OG1-N 3.4Å; T326-D329 WeakPolarHBondContact CB-OD2 3.43Å; T326-D329 PolarHBondContact N-OD2 2.95Å; T326-D329 WeakPolarHBondContact O-CB 3.29Å; T326-D329 PolarHBondContact O-N 2.85Å; T326-D329 PolarHBondContact OG1-N 2.65Å; T326-D329 PolarHBondContact OG1-OD2 3.34Å; T326-G330 PolarHBondContact O-N 3.35Å; T326-P358 HydrophobicContact CG2-CB 4.29Å; T326-P358 HydrophobicContact CG2-CG 4.16Å | ||
| 327 | K | 98.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -26.7 | 170 | -68.3 | -172.2 | -172.4 | 172.2 | 0 | 112.3 | D141 L180 W209 G330 F331 S355 D356 M359 | D141-K327 VanDerWaalsContact CG-NZ 3.29Å; D141-K327 IonicContact OD1-NZ 3.14Å; D141-K327 PolarHBondContact OD1-NZ 3.16Å; L180-K327 HydrophobicContact CD1-CB 3.83Å; L180-K327 HydrophobicContact CD1-CD 3.99Å; L180-K327 HydrophobicContact CD1-CG 3.71Å; L180-K327 HydrophobicContact CG-CD 4.27Å; W209-K327 HydrophobicContact CB-CG 4.3Å; K327-G330 PolarHBondContact O-N 3.3Å; K327-F331 WeakPolarHBondContact O-CB 3.49Å; K327-F331 PolarHBondContact O-N 3.13Å; K327-S355 PolarHBondContact NZ-OG 3.33Å; K327-D356 VanDerWaalsContact CD-OD1 3.26Å; K327-D356 WeakPolarHBondContact CD-OD1 3.16Å; K327-D356 WeakPolarHBondContact CE-OD1 3.37Å; K327-D356 IonicContact NZ-OD1 2.62Å; K327-D356 PolarHBondContact NZ-OD1 2.78Å; K327-M359 HydrophobicContact CB-CE 4.31Å; K327-M359 HydrophobicContact CB-CG 3.54Å; K327-M359 HydrophobicContact CB-SD 3.91Å; K327-M359 HydrophobicContact CD-CE 3.99Å; K327-M359 HydrophobicContact CD-SD 4.46Å; K327-M359 WeakPolarHBondContact O-CG 3.35Å |
| 328 | G | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T326 F331 R332 P358 | T326-G328 PolarHBondContact O-N 3.14Å; T326-G328 PolarHBondContact OG1-N 3.4Å; G328-F331 PolarHBondContact O-N 3.47Å; G328-R332 PolarHBondContact O-N 2.94Å; G328-P358 WeakPolarHBondContact CA-O 3.46Å |
| 329 | D | 97.6 | Very high | 93 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 20% | 0.198 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 171.2 | -57.5 | -62.6 | 0 | 0 | 0 | 111 | W325 T326 F331 R332 F333 | W325-D329 HydrophobicContact CD2-CB 3.63Å; W325-D329 HydrophobicContact CE3-CB 3.76Å; W325-D329 HydrophobicContact CG-CB 4.2Å; W325-D329 HydrophobicContact CH2-CB 4.11Å; W325-D329 HydrophobicContact CZ2-CB 3.92Å; W325-D329 HydrophobicContact CZ3-CB 4.03Å; T326-D329 WeakPolarHBondContact CB-OD2 3.43Å; T326-D329 PolarHBondContact N-OD2 2.95Å; T326-D329 WeakPolarHBondContact O-CB 3.29Å; T326-D329 PolarHBondContact O-N 2.85Å; T326-D329 PolarHBondContact OG1-N 2.65Å; T326-D329 PolarHBondContact OG1-OD2 3.34Å; D329-F331 VanDerWaalsContact C-N 3.3Å; D329-F331 PolarHBondContact O-N 3.13Å; D329-R332 WeakPolarHBondContact O-CB 3.29Å; D329-R332 PolarHBondContact O-N 2.74Å; D329-R332 IonicContact OD1-CZ 3.76Å; D329-R332 IonicContact OD1-NE 3.64Å; D329-R332 IonicContact OD1-NH2 2.7Å; D329-R332 PolarHBondContact OD1-NH2 3.12Å; D329-F333 PolarHBondContact O-N 2.71Å |
| 330 | G | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G210 W213 T326 K327 F333 L334 | G210-G330 WeakPolarHBondContact O-CA 3.39Å; W213-G330 PolarHBondContact NE1-O 3.05Å; W213-G330 VanDerWaalsContact NE1-O 3.17Å; T326-G330 PolarHBondContact O-N 3.35Å; K327-G330 PolarHBondContact O-N 3.3Å; G330-F333 PolarHBondContact O-N 3.27Å; G330-L334 PolarHBondContact O-N 3.08Å |
| 331 | F | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 175.6 | -171.6 | -164.1 | 0 | 0 | 0 | 111.8 | I137 I139 K327 G328 D329 F333 L334 L335 L342 V347 I349 M359 F362 A363 | I137-F331 HydrophobicContact CG2-CE2 3.83Å; I137-F331 HydrophobicContact CG2-CZ 3.74Å; I139-F331 HydrophobicContact CB-CE2 4.38Å; I139-F331 HydrophobicContact CB-CZ 4.45Å; I139-F331 HydrophobicContact CD1-CB 3.93Å; I139-F331 HydrophobicContact CD1-CD1 4.27Å; I139-F331 HydrophobicContact CD1-CD2 3.38Å; I139-F331 HydrophobicContact CD1-CE2 3.82Å; I139-F331 HydrophobicContact CD1-CG 3.62Å; I139-F331 HydrophobicContact CD1-CZ 4.41Å; I139-F331 HydrophobicContact CG2-CD1 4.39Å; I139-F331 HydrophobicContact CG2-CE1 3.91Å; I139-F331 HydrophobicContact CG2-CE2 4.12Å; I139-F331 HydrophobicContact CG2-CZ 3.73Å; K327-F331 WeakPolarHBondContact O-CB 3.49Å; K327-F331 PolarHBondContact O-N 3.13Å; G328-F331 PolarHBondContact O-N 3.47Å; D329-F331 VanDerWaalsContact C-N 3.3Å; D329-F331 PolarHBondContact O-N 3.13Å; F331-F333 VanDerWaalsContact C-N 3.29Å; F331-F333 PolarHBondContact O-N 3.11Å; F331-L334 HydrophobicContact CD2-CD2 4.35Å; F331-L334 WeakPolarHBondContact O-CB 3.26Å; F331-L334 PolarHBondContact O-N 2.96Å; F331-L335 HydrophobicContact CD2-CD1 4.18Å; F331-L335 HydrophobicContact CD2-CD2 4.33Å; F331-L335 HydrophobicContact CD2-CG 3.97Å; F331-L335 HydrophobicContact CE2-CD1 4.07Å; F331-L335 HydrophobicContact CE2-CD2 3.78Å; F331-L335 HydrophobicContact CE2-CG 3.88Å; F331-L335 HydrophobicContact CZ-CD1 4.47Å; F331-L335 WeakPolarHBondContact O-CG 3.19Å; F331-L335 PolarHBondContact O-N 3.26Å; F331-L342 HydrophobicContact CE1-CD1 4.14Å; F331-L342 HydrophobicContact CE1-CD2 3.77Å; F331-L342 HydrophobicContact CE2-CD2 4.33Å; F331-L342 HydrophobicContact CZ-CD1 4.48Å; F331-L342 HydrophobicContact CZ-CD2 3.46Å; F331-L342 VanDerWaalsContact CZ-CD2 3.46Å; F331-L342 HydrophobicContact CZ-CG 4.44Å; F331-V347 HydrophobicContact CE1-CG1 4.39Å; F331-V347 HydrophobicContact CZ-CG1 4.12Å; F331-I349 HydrophobicContact CE1-CD1 4.13Å; F331-M359 HydrophobicContact CB-CG 4.45Å; F331-M359 HydrophobicContact CD1-CB 4.4Å; F331-F362 HydrophobicContact CB-CD1 4.36Å; F331-F362 AromaticContact CD1-CD1 3.78Å; F331-F362 HydrophobicContact CD1-CD1 3.78Å; F331-F362 HydrophobicContact CD1-CE1 4.19Å; F331-F362 HydrophobicContact CE1-CD1 4.48Å; F331-F362 HydrophobicContact CG-CD1 4.24Å; F331-F362 HydrophobicContact CG-CE1 4.38Å; F331-A363 HydrophobicContact CE1-CB 4.49Å |
| 332 | R | 98 | Very high | 94.1 | Very high | 100 Ų | 100 | 46.6 Ų | 46.6 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -54.5 | -46.2 | 171.9 | -83.7 | -174 | -78.9 | -92.8 | 7.9 | 112.1 | G328 D329 L335 K336 F362 | G328-R332 PolarHBondContact O-N 2.94Å; D329-R332 WeakPolarHBondContact O-CB 3.29Å; D329-R332 PolarHBondContact O-N 2.74Å; D329-R332 IonicContact OD1-CZ 3.76Å; D329-R332 IonicContact OD1-NE 3.64Å; D329-R332 IonicContact OD1-NH2 2.7Å; D329-R332 PolarHBondContact OD1-NH2 3.12Å; R332-L335 PolarHBondContact O-N 3.33Å; R332-K336 PolarHBondContact O-N 3.35Å; R332-K336 VanDerWaalsContact O-N 3.14Å; R332-F362 HydrophobicContact CB-CE1 4.23Å; R332-F362 HydrophobicContact CB-CZ 4.36Å; R332-F362 HydrophobicContact CG-CD1 3.81Å; R332-F362 HydrophobicContact CG-CD2 4.04Å; R332-F362 HydrophobicContact CG-CE1 3.3Å; R332-F362 HydrophobicContact CG-CE2 3.58Å; R332-F362 HydrophobicContact CG-CG 4.17Å; R332-F362 HydrophobicContact CG-CZ 3.2Å |
| 333 | F | 98.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 179.1 | 178.1 | -125.4 | 0 | 0 | 0 | 111.7 | W213 C220 D222 W325 D329 G330 F331 L335 K336 E337 | W213-F333 AromaticContact CD1-CD1 3.53Å; W213-F333 AromaticContact CD1-CE1 3.83Å; W213-F333 AromaticContact NE1-CD1 3.84Å; C220-F333 HydrophobicContact CB-CE1 4.47Å; C220-F333 HydrophobicContact CB-CZ 4.24Å; D222-F333 HydrophobicContact CB-CD1 4Å; D222-F333 HydrophobicContact CB-CD2 3.89Å; D222-F333 HydrophobicContact CB-CE1 4.02Å; D222-F333 HydrophobicContact CB-CE2 3.92Å; D222-F333 HydrophobicContact CB-CG 3.95Å; D222-F333 HydrophobicContact CB-CZ 3.99Å; W325-F333 HydrophobicContact CH2-CB 4.19Å; W325-F333 HydrophobicContact CZ2-CB 4.25Å; D329-F333 PolarHBondContact O-N 2.71Å; G330-F333 PolarHBondContact O-N 3.27Å; F331-F333 VanDerWaalsContact C-N 3.29Å; F331-F333 PolarHBondContact O-N 3.11Å; F333-L335 VanDerWaalsContact C-N 3.33Å; F333-L335 PolarHBondContact O-N 2.9Å; F333-K336 WeakPolarHBondContact O-CB 3.41Å; F333-K336 PolarHBondContact O-N 3.09Å; F333-E337 HydrophobicContact CD2-CG 3.95Å; F333-E337 HydrophobicContact CE1-CG 4.21Å; F333-E337 HydrophobicContact CE2-CG 3.44Å; F333-E337 VanDerWaalsContact CE2-CG 3.44Å; F333-E337 WeakPolarHBondContact CE2-OE1 3.37Å; F333-E337 HydrophobicContact CZ-CG 3.58Å; F333-E337 WeakPolarHBondContact O-CG 3.42Å; F333-E337 PolarHBondContact O-N 2.93Å |
| 334 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.1 | -46.6 | 175.3 | 175.3 | 64 | 0 | 0 | 0 | 112.6 | I139 L176 A178 I204 W213 I215 G330 F331 K336 E337 T338 | I139-L334 HydrophobicContact CD1-CD2 4.18Å; L176-L334 HydrophobicContact CD2-CD2 4.03Å; L176-L334 HydrophobicContact CD2-CG 4.49Å; A178-L334 HydrophobicContact CB-CD2 3.41Å; A178-L334 VanDerWaalsContact CB-CD2 3.41Å; I204-L334 HydrophobicContact CD1-CD1 4.23Å; I204-L334 HydrophobicContact CG2-CD1 3.81Å; W213-L334 HydrophobicContact CD2-CB 4.31Å; W213-L334 HydrophobicContact CD2-CD1 4.01Å; W213-L334 HydrophobicContact CE3-CD1 4.2Å; W213-L334 HydrophobicContact CG-CD1 4.29Å; W213-L334 HydrophobicContact CH2-CD2 3.86Å; W213-L334 HydrophobicContact CZ2-CB 3.86Å; W213-L334 HydrophobicContact CZ2-CD2 4.01Å; W213-L334 HydrophobicContact CZ2-CG 4.42Å; W213-L334 HydrophobicContact CZ3-CD2 4.15Å; I215-L334 HydrophobicContact CD1-CD1 4.05Å; I215-L334 HydrophobicContact CG1-CD1 4.46Å; G330-L334 PolarHBondContact O-N 3.08Å; F331-L334 HydrophobicContact CD2-CD2 4.35Å; F331-L334 WeakPolarHBondContact O-CB 3.26Å; F331-L334 PolarHBondContact O-N 2.96Å; L334-K336 VanDerWaalsContact C-N 3.33Å; L334-K336 PolarHBondContact O-N 3.21Å; L334-E337 PolarHBondContact O-N 3.25Å; L334-T338 HydrophobicContact CD1-CG2 3.84Å; L334-T338 WeakPolarHBondContact O-CB 3.09Å; L334-T338 WeakPolarHBondContact O-CG2 3.41Å; L334-T338 PolarHBondContact O-N 3.18Å; L334-T338 PolarHBondContact O-OG1 3.32Å |
| 335 | L | 98.3 | Very high | 97 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | -179.7 | -66.1 | 174.5 | 0 | 0 | 0 | 112 | I137 F331 R332 F333 T338 G339 K340 L342 F362 | I137-L335 HydrophobicContact CD1-CD2 3.66Å; F331-L335 HydrophobicContact CD2-CD1 4.18Å; F331-L335 HydrophobicContact CD2-CD2 4.33Å; F331-L335 HydrophobicContact CD2-CG 3.97Å; F331-L335 HydrophobicContact CE2-CD1 4.07Å; F331-L335 HydrophobicContact CE2-CD2 3.78Å; F331-L335 HydrophobicContact CE2-CG 3.88Å; F331-L335 HydrophobicContact CZ-CD1 4.47Å; F331-L335 WeakPolarHBondContact O-CG 3.19Å; F331-L335 PolarHBondContact O-N 3.26Å; R332-L335 PolarHBondContact O-N 3.33Å; F333-L335 VanDerWaalsContact C-N 3.33Å; F333-L335 PolarHBondContact O-N 2.9Å; L335-T338 PolarHBondContact O-N 2.83Å; L335-T338 PolarHBondContact O-OG1 2.87Å; L335-G339 WeakPolarHBondContact O-CA 3.2Å; L335-G339 PolarHBondContact O-N 2.91Å; L335-K340 HydrophobicContact CD2-CB 3.72Å; L335-K340 PolarHBondContact O-N 2.92Å; L335-K340 VanDerWaalsContact O-N 3.1Å; L335-L342 HydrophobicContact CD1-CD1 3.7Å; L335-L342 HydrophobicContact CD1-CD2 4.11Å; L335-L342 HydrophobicContact CD1-CG 3.51Å; L335-F362 HydrophobicContact CD1-CE1 3.78Å; L335-F362 HydrophobicContact CD1-CZ 4.14Å |
| 336 | K | 97.7 | Very high | 97.2 | Very high | 145 Ų | 145 | 42.1 Ų | 42.1 | 63% | 0.63 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.7 | -47.8 | 173.9 | 178.5 | -171.6 | 170.8 | -167.9 | 0 | 111.4 | R332 F333 L334 T338 | R332-K336 PolarHBondContact O-N 3.35Å; R332-K336 VanDerWaalsContact O-N 3.14Å; F333-K336 WeakPolarHBondContact O-CB 3.41Å; F333-K336 PolarHBondContact O-N 3.09Å; L334-K336 VanDerWaalsContact C-N 3.33Å; L334-K336 PolarHBondContact O-N 3.21Å; K336-T338 VanDerWaalsContact C-N 3.3Å; K336-T338 PolarHBondContact O-N 3.16Å |
| 337 | E | 97.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 38% | 0.379 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.3 | -25.9 | -177.8 | -67.6 | -60.6 | 121.6 | 0 | 0 | 113.3 | I215 C220 F333 L334 | I215-E337 HydrophobicContact CD1-CB 3.57Å; I215-E337 HydrophobicContact CD1-CG 4.34Å; C220-E337 HydrophobicContact CB-CG 4.32Å; F333-E337 HydrophobicContact CD2-CG 3.95Å; F333-E337 HydrophobicContact CE1-CG 4.21Å; F333-E337 HydrophobicContact CE2-CG 3.44Å; F333-E337 VanDerWaalsContact CE2-CG 3.44Å; F333-E337 WeakPolarHBondContact CE2-OE1 3.37Å; F333-E337 HydrophobicContact CZ-CG 3.58Å; F333-E337 WeakPolarHBondContact O-CG 3.42Å; F333-E337 PolarHBondContact O-N 2.93Å; L334-E337 PolarHBondContact O-N 3.25Å |
| 338 | T | 97 | Very high | 97.3 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 23% | 0.233 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -99.4 | -7.7 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | L176 I204 I215 L334 L335 K336 K340 | L176-T338 HydrophobicContact CD1-CG2 3.69Å; I204-T338 HydrophobicContact CD1-CG2 4.07Å; I215-T338 HydrophobicContact CD1-CG2 4.16Å; I215-T338 HydrophobicContact CG2-CG2 4.25Å; L334-T338 HydrophobicContact CD1-CG2 3.84Å; L334-T338 WeakPolarHBondContact O-CB 3.09Å; L334-T338 WeakPolarHBondContact O-CG2 3.41Å; L334-T338 PolarHBondContact O-N 3.18Å; L334-T338 PolarHBondContact O-OG1 3.32Å; L335-T338 PolarHBondContact O-N 2.83Å; L335-T338 PolarHBondContact O-OG1 2.87Å; K336-T338 VanDerWaalsContact C-N 3.3Å; K336-T338 PolarHBondContact O-N 3.16Å; T338-K340 PolarHBondContact O-N 2.82Å |
| 339 | G | 96.1 | Very high | 97.4 | Very high | 71 Ų | 71 | 39.7 Ų | 39.7 | 73% | 0.732 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 16.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L335 | L335-G339 WeakPolarHBondContact O-CA 3.2Å; L335-G339 PolarHBondContact O-N 2.91Å |
| 340 | K | 95.9 | Very high | 97.4 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | trans | -85 | 154.4 | 179.5 | -74.1 | -74.5 | 178.3 | 172.5 | 0 | 111.5 | I137 S175 L176 L335 T338 E345 | I137-K340 HydrophobicContact CD1-CB 4.45Å; S175-K340 PolarHBondContact OG-NZ 2.98Å; L176-K340 HydrophobicContact CD1-CG 4.18Å; L335-K340 HydrophobicContact CD2-CB 3.72Å; L335-K340 PolarHBondContact O-N 2.92Å; L335-K340 VanDerWaalsContact O-N 3.1Å; T338-K340 PolarHBondContact O-N 2.82Å; K340-E345 VanDerWaalsContact CD-OE1 3.32Å; K340-E345 WeakPolarHBondContact CD-OE1 3.49Å; K340-E345 IonicContact NZ-OE1 2.65Å; K340-E345 PolarHBondContact NZ-OE1 3.45Å | ||
| 341 | S | 96.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 38% | 0.378 | 22% | 0.216 | S | C | . | . | trans | -132.5 | 125.9 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | A343 T344 E345 | S341-A343 PolarHBondContact O-N 3.11Å; S341-A343 PolarHBondContact OG-N 2.94Å; S341-T344 PolarHBondContact O-N 3.47Å; S341-T344 PolarHBondContact O-OG1 2.78Å; S341-E345 WeakPolarHBondContact O-CB 3.44Å; S341-E345 WeakPolarHBondContact O-CG 3.41Å; S341-E345 PolarHBondContact O-N 3.32Å | ||
| 342 | L | 96.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.3 | 175.1 | -67.1 | 169.8 | 0 | 0 | 0 | 112.8 | I137 F331 L335 T344 V347 F362 A363 V366 N367 | I137-L342 HydrophobicContact CD1-CD2 3.8Å; F331-L342 HydrophobicContact CE1-CD1 4.14Å; F331-L342 HydrophobicContact CE1-CD2 3.77Å; F331-L342 HydrophobicContact CE2-CD2 4.33Å; F331-L342 HydrophobicContact CZ-CD1 4.48Å; F331-L342 HydrophobicContact CZ-CD2 3.46Å; F331-L342 VanDerWaalsContact CZ-CD2 3.46Å; F331-L342 HydrophobicContact CZ-CG 4.44Å; L335-L342 HydrophobicContact CD1-CD1 3.7Å; L335-L342 HydrophobicContact CD1-CD2 4.11Å; L335-L342 HydrophobicContact CD1-CG 3.51Å; L342-T344 PolarHBondContact O-N 3.16Å; L342-T344 VanDerWaalsContact O-N 3.15Å; L342-V347 HydrophobicContact CD2-CB 4.37Å; L342-V347 HydrophobicContact CD2-CG1 3.98Å; L342-V347 HydrophobicContact CD2-CG2 3.47Å; L342-V347 VanDerWaalsContact CD2-CG2 3.47Å; L342-F362 HydrophobicContact CD1-CD1 3.74Å; L342-F362 HydrophobicContact CD1-CE1 3.26Å; L342-F362 HydrophobicContact CD1-CE2 4.19Å; L342-F362 HydrophobicContact CD1-CG 4.37Å; L342-F362 HydrophobicContact CD1-CZ 3.49Å; L342-F362 VanDerWaalsContact CD1-CZ 3.49Å; L342-F362 HydrophobicContact CG-CE1 4.48Å; L342-A363 HydrophobicContact CD1-CB 4.38Å; L342-V366 HydrophobicContact CB-CB 4.2Å; L342-V366 HydrophobicContact CB-CG1 3.83Å; L342-N367 VanDerWaalsContact O-CB 3.26Å; L342-N367 WeakPolarHBondContact O-CB 3.3Å; L342-N367 PolarHBondContact O-ND2 2.79Å |
| 343 | A | 95.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 36.8 Ų | 36.8 | 50% | 0.496 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S341 V366 | S341-A343 PolarHBondContact O-N 3.11Å; S341-A343 PolarHBondContact OG-N 2.94Å; A343-V366 HydrophobicContact CB-CG1 4.21Å |
| 344 | T | 93.7 | Very high | 97.3 | Very high | 111 Ų | 111 | 38.6 Ų | 38.6 | 68% | 0.681 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -14.5 | -174.4 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | S341 L342 | S341-T344 PolarHBondContact O-N 3.47Å; S341-T344 PolarHBondContact O-OG1 2.78Å; L342-T344 PolarHBondContact O-N 3.16Å; L342-T344 VanDerWaalsContact O-N 3.15Å |
| 345 | E | 96.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -99.9 | 145.9 | -171.8 | -63 | -77.2 | -166.7 | 0 | 0 | 110.3 | G136 I137 K340 S341 V347 N367 | G136-E345 WeakPolarHBondContact CA-OE2 3.46Å; I137-E345 HydrophobicContact CD1-CB 3.78Å; I137-E345 HydrophobicContact CD1-CG 3.92Å; I137-E345 HydrophobicContact CG1-CB 4.12Å; I137-E345 HydrophobicContact CG1-CG 4.27Å; K340-E345 VanDerWaalsContact CD-OE1 3.32Å; K340-E345 WeakPolarHBondContact CD-OE1 3.49Å; K340-E345 IonicContact NZ-OE1 2.65Å; K340-E345 PolarHBondContact NZ-OE1 3.45Å; S341-E345 WeakPolarHBondContact O-CB 3.44Å; S341-E345 WeakPolarHBondContact O-CG 3.41Å; S341-E345 PolarHBondContact O-N 3.32Å; E345-V347 WeakPolarHBondContact O-CG2 3.24Å; E345-N367 PolarHBondContact O-ND2 2.93Å |
| 346 | V | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.8 | 162.8 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | I130 L133 G134 G136 I137 N370 Y372 | I130-V346 HydrophobicContact CG2-CG1 3.86Å; L133-V346 HydrophobicContact CB-CG2 3.59Å; G134-V346 WeakPolarHBondContact O-CB 3.42Å; G134-V346 WeakPolarHBondContact O-CG2 3.42Å; G136-V346 WeakPolarHBondContact CA-O 3.4Å; G136-V346 PolarHBondContact N-O 3.3Å; I137-V346 PolarHBondContact N-O 3.48Å; V346-N370 HydrophobicContact CG2-CB 4.27Å; V346-Y372 HydrophobicContact CG1-CD2 3.97Å; V346-Y372 HydrophobicContact CG1-CE2 3.83Å |
| 347 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.7 | -169.7 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | I137 F331 L342 E345 I349 N370 Y372 | I137-V347 HydrophobicContact CB-CG1 4.22Å; I137-V347 HydrophobicContact CG2-CG1 4.17Å; I137-V347 CarbonylContact O-C 3.54Å; I137-V347 WeakPolarHBondContact O-CA 3.38Å; F331-V347 HydrophobicContact CE1-CG1 4.39Å; F331-V347 HydrophobicContact CZ-CG1 4.12Å; L342-V347 HydrophobicContact CD2-CB 4.37Å; L342-V347 HydrophobicContact CD2-CG1 3.98Å; L342-V347 HydrophobicContact CD2-CG2 3.47Å; L342-V347 VanDerWaalsContact CD2-CG2 3.47Å; E345-V347 WeakPolarHBondContact O-CG2 3.24Å; V347-I349 HydrophobicContact CG1-CD1 4.12Å; V347-I349 HydrophobicContact CG1-CG1 3.81Å; V347-N370 PolarHBondContact N-O 2.83Å; V347-Y372 PolarHBondContact O-N 2.78Å |
| 348 | W | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.8 | 168.8 | -176.7 | 32.5 | 0 | 0 | 0 | 109.7 | L127 I130 L135 I137 F138 I139 F169 C350 Y372 T374 L404 M408 | L127-W348 HydrophobicContact CD1-CH2 3.97Å; L127-W348 HydrophobicContact CD1-CZ2 4.4Å; L127-W348 HydrophobicContact CD1-CZ3 4.4Å; L127-W348 HydrophobicContact CD2-CD2 3.8Å; L127-W348 HydrophobicContact CD2-CE3 3.67Å; L127-W348 HydrophobicContact CD2-CH2 3.65Å; L127-W348 HydrophobicContact CD2-CZ2 3.75Å; L127-W348 HydrophobicContact CD2-CZ3 3.6Å; L127-W348 HydrophobicContact CG-CH2 4.33Å; L127-W348 HydrophobicContact CG-CZ2 4.41Å; I130-W348 HydrophobicContact CD1-CB 4.22Å; I130-W348 HydrophobicContact CD1-CG 4.16Å; L135-W348 HydrophobicContact CD1-CB 3.86Å; L135-W348 HydrophobicContact CD2-CE3 4.4Å; I137-W348 PolarHBondContact O-N 3.08Å; F138-W348 WeakPolarHBondContact CA-O 3.49Å; F138-W348 HydrophobicContact CD2-CB 4.46Å; F138-W348 HydrophobicContact CD2-CD2 4Å; F138-W348 AromaticContact CD2-CE3 3.53Å; F138-W348 HydrophobicContact CD2-CE3 3.53Å; F138-W348 HydrophobicContact CD2-CG 4.42Å; F138-W348 HydrophobicContact CD2-CZ3 4.09Å; F138-W348 HydrophobicContact CE1-CZ3 4.39Å; F138-W348 HydrophobicContact CE2-CD2 4.16Å; F138-W348 AromaticContact CE2-CE3 3.75Å; F138-W348 HydrophobicContact CE2-CE3 3.75Å; F138-W348 HydrophobicContact CE2-CH2 4.47Å; F138-W348 AromaticContact CE2-CZ3 3.92Å; F138-W348 HydrophobicContact CE2-CZ3 3.92Å; F138-W348 AromaticContact CG-CE3 3.99Å; F138-W348 HydrophobicContact CG-CE3 3.99Å; F138-W348 HydrophobicContact CG-CZ3 4.45Å; F138-W348 HydrophobicContact CZ-CE3 4.35Å; F138-W348 HydrophobicContact CZ-CZ3 4.09Å; I139-W348 PolarHBondContact N-O 2.89Å; F169-W348 HydrophobicContact CE1-CE3 4.2Å; F169-W348 AromaticContact CE1-CZ3 3.88Å; F169-W348 HydrophobicContact CE1-CZ3 3.88Å; F169-W348 HydrophobicContact CZ-CE3 4.17Å; F169-W348 AromaticContact CZ-CZ3 3.73Å; F169-W348 HydrophobicContact CZ-CZ3 3.73Å; W348-C350 VanDerWaalsContact CZ2-SG 3.58Å; W348-C350 PolarHBondContact NE1-SG 3.21Å; W348-Y372 WeakPolarHBondContact CA-O 3.32Å; W348-T374 PolarHBondContact NE1-OG1 2.92Å; W348-T374 VanDerWaalsContact NE1-OG1 3.09Å; W348-L404 HydrophobicContact CH2-CD2 3.9Å; W348-L404 HydrophobicContact CZ2-CD2 3.46Å; W348-L404 VanDerWaalsContact CZ2-CD2 3.46Å; W348-M408 HydrophobicContact CH2-CE 3.61Å; W348-M408 HydrophobicContact CH2-CG 4.3Å; W348-M408 HydrophobicContact CZ3-CE 3.72Å; W348-M408 HydrophobicContact CZ3-CG 4.42Å |
| 349 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.9 | -177.2 | -57.4 | -177.8 | 0 | 0 | 0 | 109.3 | I139 F331 V347 M359 L360 A363 T371 Y372 A373 T374 | I139-I349 HydrophobicContact CG2-CB 4.37Å; I139-I349 HydrophobicContact CG2-CD1 4.48Å; I139-I349 HydrophobicContact CG2-CG1 3.77Å; I139-I349 HydrophobicContact CG2-CG2 4.37Å; I139-I349 CarbonylContact O-C 3.52Å; I139-I349 VanDerWaalsContact O-CA 3.3Å; I139-I349 WeakPolarHBondContact O-CA 3.18Å; F331-I349 HydrophobicContact CE1-CD1 4.13Å; V347-I349 HydrophobicContact CG1-CD1 4.12Å; V347-I349 HydrophobicContact CG1-CG1 3.81Å; I349-M359 HydrophobicContact CD1-CB 4.49Å; I349-M359 WeakPolarHBondContact CD1-O 3.16Å; I349-M359 HydrophobicContact CG2-CB 4.01Å; I349-M359 HydrophobicContact CG2-CE 4.38Å; I349-L360 HydrophobicContact CD1-CD1 4.47Å; I349-A363 HydrophobicContact CD1-CB 3.41Å; I349-A363 VanDerWaalsContact CD1-CB 3.41Å; I349-T371 HydrophobicContact CD1-CG2 4.34Å; I349-Y372 PolarHBondContact N-O 3.4Å; I349-A373 CarbonylContact O-C 3.5Å; I349-A373 WeakPolarHBondContact O-CA 3.44Å; I349-T374 PolarHBondContact O-N 3.12Å |
| 350 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.5 | 174.3 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | F138 I139 T140 D141 T145 W348 T374 L404 | F138-C350 HydrophobicContact CE2-CB 4.37Å; I139-C350 PolarHBondContact O-N 2.91Å; T140-C350 WeakPolarHBondContact CA-O 3.46Å; T140-C350 VanDerWaalsContact OG1-CB 3.31Å; T140-C350 WeakPolarHBondContact OG1-CB 3.38Å; D141-C350 PolarHBondContact N-O 2.96Å; T145-C350 HydrophobicContact CG2-CB 3.65Å; W348-C350 VanDerWaalsContact CZ2-SG 3.58Å; W348-C350 PolarHBondContact NE1-SG 3.21Å; C350-T374 VanDerWaalsContact CA-O 3.22Å; C350-T374 WeakPolarHBondContact CA-O 3.44Å; C350-L404 HydrophobicContact CB-CD1 4.43Å |
| 351 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | -177.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T145 T374 F375 V376 | T145-G351 VanDerWaalsContact OG1-C 3.26Å; T145-G351 WeakPolarHBondContact OG1-CA 3.31Å; G351-T374 PolarHBondContact N-O 2.83Å; G351-F375 CarbonylContact O-C 3.37Å; G351-F375 WeakPolarHBondContact O-CA 3.22Å; G351-V376 PolarHBondContact O-N 3.48Å |
| 352 | D | 97.7 | Very high | 97.7 | Very high | 28 Ų | 28 | 26 Ų | 26 | 15% | 0.15 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -138 | -28.3 | 179.4 | 74.8 | -36.1 | 0 | 0 | 0 | 112 | T145 D356 V376 P378 P379 | T145-D352 PolarHBondContact OG1-N 3.27Å; D352-D356 PolarHBondContact N-OD2 3.2Å; D352-V376 WeakPolarHBondContact CA-O 3.48Å; D352-V376 VanDerWaalsContact CB-O 3.3Å; D352-V376 WeakPolarHBondContact CB-O 3.49Å; D352-P378 VanDerWaalsContact O-CA 3.23Å; D352-P378 WeakPolarHBondContact O-CA 3.34Å; D352-P378 WeakPolarHBondContact O-CB 3.41Å; D352-P379 WeakPolarHBondContact O-CD 3.18Å |
| 353 | T | 97 | Very high | 97.8 | Very high | 48 Ų | 48 | 25.8 Ų | 25.8 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -123.4 | 173.3 | -171 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | S355 D356 | T353-S355 PolarHBondContact O-N 2.87Å; T353-S355 VanDerWaalsContact O-N 3.1Å; T353-S355 PolarHBondContact OG1-N 2.68Å; T353-S355 PolarHBondContact OG1-OG 2.83Å; T353-D356 PolarHBondContact N-OD2 3.19Å; T353-D356 PolarHBondContact O-N 2.89Å; T353-D356 VanDerWaalsContact O-N 3.12Å; T353-D356 PolarHBondContact OG1-OD2 2.91Å |
| 354 | A | 97.5 | Very high | 97.9 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 41% | 0.405 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | D356 L357 V382 | A354-D356 PolarHBondContact O-N 2.85Å; A354-L357 HydrophobicContact CB-CD1 4.3Å; A354-L357 PolarHBondContact O-N 3.47Å; A354-V382 HydrophobicContact CB-CG2 3.89Å |
| 355 | S | 96.2 | Very high | 98.1 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 33% | 0.329 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.9 | 177.2 | 79.5 | 0 | 0 | 0 | 0 | 113.5 | K327 T353 P358 | K327-S355 PolarHBondContact NZ-OG 3.33Å; T353-S355 PolarHBondContact O-N 2.87Å; T353-S355 VanDerWaalsContact O-N 3.1Å; T353-S355 PolarHBondContact OG1-N 2.68Å; T353-S355 PolarHBondContact OG1-OG 2.83Å; S355-P358 WeakPolarHBondContact O-CD 3.35Å |
| 356 | D | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -22.1 | -179.5 | -55.4 | -53.9 | 0 | 0 | 0 | 113.3 | D141 K327 D352 T353 A354 P358 M359 L360 F375 | D141-D356 WeakPolarHBondContact CB-OD1 3.31Å; K327-D356 VanDerWaalsContact CD-OD1 3.26Å; K327-D356 WeakPolarHBondContact CD-OD1 3.16Å; K327-D356 WeakPolarHBondContact CE-OD1 3.37Å; K327-D356 IonicContact NZ-OD1 2.62Å; K327-D356 PolarHBondContact NZ-OD1 2.78Å; D352-D356 PolarHBondContact N-OD2 3.2Å; T353-D356 PolarHBondContact N-OD2 3.19Å; T353-D356 PolarHBondContact O-N 2.89Å; T353-D356 VanDerWaalsContact O-N 3.12Å; T353-D356 PolarHBondContact OG1-OD2 2.91Å; A354-D356 PolarHBondContact O-N 2.85Å; D356-P358 VanDerWaalsContact C-N 3.28Å; D356-M359 HydrophobicContact CB-CE 3.91Å; D356-M359 WeakPolarHBondContact O-CB 3.46Å; D356-M359 PolarHBondContact O-N 3.13Å; D356-L360 PolarHBondContact O-N 2.79Å; D356-F375 HydrophobicContact CB-CE1 3.89Å; D356-F375 HydrophobicContact CB-CZ 4.11Å |
| 357 | L | 98.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.1 | -38.7 | 178 | -68.5 | 174.8 | 0 | 0 | 0 | 113.3 | A354 M359 L360 D361 F375 V382 K385 I386 | A354-L357 HydrophobicContact CB-CD1 4.3Å; A354-L357 PolarHBondContact O-N 3.47Å; L357-M359 PolarHBondContact O-N 3.22Å; L357-L360 HydrophobicContact CD2-CD2 4.42Å; L357-L360 CarbonylContact O-C 3.56Å; L357-L360 WeakPolarHBondContact O-CA 3.36Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 2.83Å; L357-D361 WeakPolarHBondContact O-CB 3.49Å; L357-D361 VanDerWaalsContact O-CG 3.29Å; L357-D361 PolarHBondContact O-N 2.93Å; L357-F375 HydrophobicContact CD2-CE1 4.35Å; L357-F375 HydrophobicContact CD2-CZ 4.17Å; L357-V382 HydrophobicContact CD1-CG1 4.49Å; L357-V382 HydrophobicContact CD1-CG2 4.32Å; L357-V382 HydrophobicContact CD2-CG1 4.09Å; L357-V382 HydrophobicContact CG-CG1 4.35Å; L357-K385 HydrophobicContact CD1-CB 4.38Å; L357-K385 HydrophobicContact CD1-CD 3.54Å; L357-I386 HydrophobicContact CD2-CG1 4.23Å |
| 358 | P | 98.5 | Very high | 98 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -28.3 | 175.6 | -28 | 37.4 | 0 | 0 | 0 | 115.1 | T326 G328 S355 D356 F362 | T326-P358 HydrophobicContact CG2-CB 4.29Å; T326-P358 HydrophobicContact CG2-CG 4.16Å; G328-P358 WeakPolarHBondContact CA-O 3.46Å; S355-P358 WeakPolarHBondContact O-CD 3.35Å; D356-P358 VanDerWaalsContact C-N 3.28Å; P358-F362 VanDerWaalsContact O-CB 3.3Å; P358-F362 WeakPolarHBondContact O-CB 3.39Å; P358-F362 PolarHBondContact O-N 2.8Å |
| 359 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68 | -45.4 | 171.6 | -64.5 | -172.5 | -71.4 | 0 | 0 | 110.5 | I139 L180 K327 F331 I349 D356 L357 A363 | I139-M359 HydrophobicContact CD1-SD 3.96Å; I139-M359 HydrophobicContact CG1-SD 4.08Å; L180-M359 HydrophobicContact CD1-SD 4.15Å; L180-M359 HydrophobicContact CD2-CE 4.14Å; L180-M359 HydrophobicContact CD2-SD 3.51Å; L180-M359 VanDerWaalsContact CD2-SD 3.51Å; L180-M359 HydrophobicContact CG-SD 4.39Å; K327-M359 HydrophobicContact CB-CE 4.31Å; K327-M359 HydrophobicContact CB-CG 3.54Å; K327-M359 HydrophobicContact CB-SD 3.91Å; K327-M359 HydrophobicContact CD-CE 3.99Å; K327-M359 HydrophobicContact CD-SD 4.46Å; K327-M359 WeakPolarHBondContact O-CG 3.35Å; F331-M359 HydrophobicContact CB-CG 4.45Å; F331-M359 HydrophobicContact CD1-CB 4.4Å; I349-M359 HydrophobicContact CD1-CB 4.49Å; I349-M359 WeakPolarHBondContact CD1-O 3.16Å; I349-M359 HydrophobicContact CG2-CB 4.01Å; I349-M359 HydrophobicContact CG2-CE 4.38Å; D356-M359 HydrophobicContact CB-CE 3.91Å; D356-M359 WeakPolarHBondContact O-CB 3.46Å; D356-M359 PolarHBondContact O-N 3.13Å; L357-M359 PolarHBondContact O-N 3.22Å; M359-A363 PolarHBondContact O-N 3.13Å; M359-A363 VanDerWaalsContact O-N 3.12Å |
| 360 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -49.4 | 179.3 | 179.3 | 59.7 | 0 | 0 | 0 | 111.8 | I349 D356 L357 F362 A363 L364 T371 A373 F375 I386 M390 | I349-L360 HydrophobicContact CD1-CD1 4.47Å; D356-L360 PolarHBondContact O-N 2.79Å; L357-L360 HydrophobicContact CD2-CD2 4.42Å; L357-L360 CarbonylContact O-C 3.56Å; L357-L360 WeakPolarHBondContact O-CA 3.36Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 2.83Å; L360-F362 VanDerWaalsContact C-N 3.28Å; L360-F362 PolarHBondContact O-N 3.34Å; L360-A363 PolarHBondContact O-N 3.29Å; L360-A363 VanDerWaalsContact O-N 3.08Å; L360-L364 HydrophobicContact CD1-CD1 3.86Å; L360-L364 HydrophobicContact CD1-CD2 4.45Å; L360-L364 HydrophobicContact CD1-CG 3.87Å; L360-L364 HydrophobicContact CD2-CD1 4.35Å; L360-L364 HydrophobicContact CG-CD1 3.75Å; L360-L364 HydrophobicContact CG-CG 4.19Å; L360-L364 WeakPolarHBondContact O-CB 3.43Å; L360-L364 WeakPolarHBondContact O-CG 3.25Å; L360-L364 PolarHBondContact O-N 3.3Å; L360-T371 HydrophobicContact CD1-CG2 3.8Å; L360-A373 HydrophobicContact CD1-CB 4.05Å; L360-A373 HydrophobicContact CD2-CB 4.48Å; L360-F375 HydrophobicContact CD2-CE2 4.06Å; L360-F375 HydrophobicContact CD2-CZ 4.39Å; L360-I386 HydrophobicContact CD2-CG1 4.11Å; L360-M390 HydrophobicContact CD1-CE 4.14Å; L360-M390 HydrophobicContact CD1-SD 3.71Å; L360-M390 HydrophobicContact CD2-SD 3.77Å; L360-M390 HydrophobicContact CG-SD 4.28Å |
| 361 | D | 98.3 | Very high | 97.8 | Very high | 78 Ų | 78 | 42 Ų | 42 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.6 | -42.9 | 179.2 | -67.9 | -23.7 | 0 | 0 | 0 | 111 | L357 Q365 | L357-D361 WeakPolarHBondContact O-CB 3.49Å; L357-D361 VanDerWaalsContact O-CG 3.29Å; L357-D361 PolarHBondContact O-N 2.93Å; D361-Q365 VanDerWaalsContact O-CB 3.3Å; D361-Q365 WeakPolarHBondContact O-CB 3.48Å; D361-Q365 PolarHBondContact O-N 3.22Å |
| 362 | F | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.8 | 172.5 | -131.3 | 0 | 0 | 0 | 112 | F331 R332 L335 L342 P358 L360 Q365 V366 | F331-F362 HydrophobicContact CB-CD1 4.36Å; F331-F362 AromaticContact CD1-CD1 3.78Å; F331-F362 HydrophobicContact CD1-CD1 3.78Å; F331-F362 HydrophobicContact CD1-CE1 4.19Å; F331-F362 HydrophobicContact CE1-CD1 4.48Å; F331-F362 HydrophobicContact CG-CD1 4.24Å; F331-F362 HydrophobicContact CG-CE1 4.38Å; R332-F362 HydrophobicContact CB-CE1 4.23Å; R332-F362 HydrophobicContact CB-CZ 4.36Å; R332-F362 HydrophobicContact CG-CD1 3.81Å; R332-F362 HydrophobicContact CG-CD2 4.04Å; R332-F362 HydrophobicContact CG-CE1 3.3Å; R332-F362 HydrophobicContact CG-CE2 3.58Å; R332-F362 HydrophobicContact CG-CG 4.17Å; R332-F362 HydrophobicContact CG-CZ 3.2Å; L335-F362 HydrophobicContact CD1-CE1 3.78Å; L335-F362 HydrophobicContact CD1-CZ 4.14Å; L342-F362 HydrophobicContact CD1-CD1 3.74Å; L342-F362 HydrophobicContact CD1-CE1 3.26Å; L342-F362 HydrophobicContact CD1-CE2 4.19Å; L342-F362 HydrophobicContact CD1-CG 4.37Å; L342-F362 HydrophobicContact CD1-CZ 3.49Å; L342-F362 VanDerWaalsContact CD1-CZ 3.49Å; L342-F362 HydrophobicContact CG-CE1 4.48Å; P358-F362 VanDerWaalsContact O-CB 3.3Å; P358-F362 WeakPolarHBondContact O-CB 3.39Å; P358-F362 PolarHBondContact O-N 2.8Å; L360-F362 VanDerWaalsContact C-N 3.28Å; L360-F362 PolarHBondContact O-N 3.34Å; F362-Q365 PolarHBondContact O-N 2.84Å; F362-V366 HydrophobicContact CD2-CG2 4.14Å; F362-V366 HydrophobicContact CE2-CG2 3.73Å; F362-V366 HydrophobicContact CZ-CG2 4.47Å; F362-V366 WeakPolarHBondContact O-CG2 3.17Å; F362-V366 PolarHBondContact O-N 3.36Å |
| 363 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F331 L342 I349 M359 L360 Q365 V366 N367 T371 | F331-A363 HydrophobicContact CE1-CB 4.49Å; L342-A363 HydrophobicContact CD1-CB 4.38Å; I349-A363 HydrophobicContact CD1-CB 3.41Å; I349-A363 VanDerWaalsContact CD1-CB 3.41Å; M359-A363 PolarHBondContact O-N 3.13Å; M359-A363 VanDerWaalsContact O-N 3.12Å; L360-A363 PolarHBondContact O-N 3.29Å; L360-A363 VanDerWaalsContact O-N 3.08Å; A363-Q365 VanDerWaalsContact C-N 3.3Å; A363-Q365 PolarHBondContact O-N 3.48Å; A363-V366 PolarHBondContact O-N 2.66Å; A363-N367 CarbonylContact O-C 3.57Å; A363-N367 PolarHBondContact O-N 3.45Å; A363-T371 HydrophobicContact CB-CG2 3.7Å; A363-T371 PolarHBondContact O-OG1 2.73Å |
| 364 | L | 98.1 | Very high | 97.9 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -34.5 | 175.8 | -70 | 175.2 | 0 | 0 | 0 | 112.4 | L360 V366 P368 T371 N389 M390 | L360-L364 HydrophobicContact CD1-CD1 3.86Å; L360-L364 HydrophobicContact CD1-CD2 4.45Å; L360-L364 HydrophobicContact CD1-CG 3.87Å; L360-L364 HydrophobicContact CD2-CD1 4.35Å; L360-L364 HydrophobicContact CG-CD1 3.75Å; L360-L364 HydrophobicContact CG-CG 4.19Å; L360-L364 WeakPolarHBondContact O-CB 3.43Å; L360-L364 WeakPolarHBondContact O-CG 3.25Å; L360-L364 PolarHBondContact O-N 3.3Å; L364-V366 VanDerWaalsContact C-N 3.3Å; L364-V366 PolarHBondContact O-N 3.09Å; L364-P368 WeakPolarHBondContact O-CB 3.34Å; L364-P368 VanDerWaalsContact O-CD 3.27Å; L364-P368 WeakPolarHBondContact O-CD 3.23Å; L364-T371 HydrophobicContact CD2-CG2 3.88Å; L364-T371 HydrophobicContact CG-CG2 4.17Å; L364-N389 HydrophobicContact CD1-CB 4.04Å; L364-M390 HydrophobicContact CD1-CG 3.87Å; L364-M390 HydrophobicContact CD1-SD 4.49Å; L364-M390 HydrophobicContact CD2-CE 4.4Å; L364-M390 HydrophobicContact CD2-CG 4.14Å |
| 365 | Q | 97.7 | Very high | 98 | Very high | 160 Ų | 160 | 36.2 Ų | 36.2 | 75% | 0.748 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -64.4 | -35.4 | 175.3 | -175.1 | -178.5 | -0.6 | 0 | 0 | 112.3 | D361 F362 A363 | D361-Q365 VanDerWaalsContact O-CB 3.3Å; D361-Q365 WeakPolarHBondContact O-CB 3.48Å; D361-Q365 PolarHBondContact O-N 3.22Å; F362-Q365 PolarHBondContact O-N 2.84Å; A363-Q365 VanDerWaalsContact C-N 3.3Å; A363-Q365 PolarHBondContact O-N 3.48Å |
| 366 | V | 97.9 | Very high | 98.1 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 39% | 0.394 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -94.2 | -39.2 | -174.7 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | L342 A343 F362 A363 L364 | L342-V366 HydrophobicContact CB-CB 4.2Å; L342-V366 HydrophobicContact CB-CG1 3.83Å; A343-V366 HydrophobicContact CB-CG1 4.21Å; F362-V366 HydrophobicContact CD2-CG2 4.14Å; F362-V366 HydrophobicContact CE2-CG2 3.73Å; F362-V366 HydrophobicContact CZ-CG2 4.47Å; F362-V366 WeakPolarHBondContact O-CG2 3.17Å; F362-V366 PolarHBondContact O-N 3.36Å; A363-V366 PolarHBondContact O-N 2.66Å; L364-V366 VanDerWaalsContact C-N 3.3Å; L364-V366 PolarHBondContact O-N 3.09Å |
| 367 | N | 97.2 | Very high | 98 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | trans | -147.8 | 69.1 | -172.2 | -173.9 | 6.1 | 0 | 0 | 0 | 111.9 | L342 E345 A363 K369 N370 T371 | L342-N367 VanDerWaalsContact O-CB 3.26Å; L342-N367 WeakPolarHBondContact O-CB 3.3Å; L342-N367 PolarHBondContact O-ND2 2.79Å; E345-N367 PolarHBondContact O-ND2 2.93Å; A363-N367 CarbonylContact O-C 3.57Å; A363-N367 PolarHBondContact O-N 3.45Å; N367-K369 PolarHBondContact O-N 2.93Å; N367-N370 PolarHBondContact O-N 3.22Å; N367-N370 PolarHBondContact OD1-N 3.4Å; N367-N370 PolarHBondContact OD1-ND2 2.89Å; N367-T371 WeakPolarHBondContact O-CB 3.23Å; N367-T371 PolarHBondContact O-N 3.15Å; N367-T371 PolarHBondContact O-OG1 2.81Å | ||
| 368 | P | 95.9 | Very high | 98 | Very high | 76 Ų | 76 | 38.8 Ų | 38.8 | 49% | 0.494 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.1 | -175.8 | 25.1 | -33 | 0 | 0 | 0 | 113.3 | L364 | L364-P368 WeakPolarHBondContact O-CB 3.34Å; L364-P368 VanDerWaalsContact O-CD 3.27Å; L364-P368 WeakPolarHBondContact O-CD 3.23Å |
| 369 | K | 96 | Very high | 97.9 | Very high | 169 Ų | 169 | 40.7 Ų | 40.7 | 74% | 0.735 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -28.6 | -176.4 | -67.7 | -173.6 | 179.6 | -178.3 | 0 | 113.9 | N367 H394 | N367-K369 PolarHBondContact O-N 2.93Å; K369-H394 PolarHBondContact O-CE1 3.36Å |
| 370 | N | 97.7 | Very high | 97.9 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -120.7 | 23.2 | -178.5 | -55.3 | -54.6 | 0 | 0 | 0 | 112.2 | V346 V347 N367 | V346-N370 HydrophobicContact CG2-CB 4.27Å; V347-N370 PolarHBondContact N-O 2.83Å; N367-N370 PolarHBondContact O-N 3.22Å; N367-N370 PolarHBondContact OD1-N 3.4Å; N367-N370 PolarHBondContact OD1-ND2 2.89Å |
| 371 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.8 | 171 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | I349 L360 A363 L364 N367 M390 H394 | I349-T371 HydrophobicContact CD1-CG2 4.34Å; L360-T371 HydrophobicContact CD1-CG2 3.8Å; A363-T371 HydrophobicContact CB-CG2 3.7Å; A363-T371 PolarHBondContact O-OG1 2.73Å; L364-T371 HydrophobicContact CD2-CG2 3.88Å; L364-T371 HydrophobicContact CG-CG2 4.17Å; N367-T371 WeakPolarHBondContact O-CB 3.23Å; N367-T371 PolarHBondContact O-N 3.15Å; N367-T371 PolarHBondContact O-OG1 2.81Å; T371-M390 WeakPolarHBondContact O-CE 3.45Å; T371-H394 PolarHBondContact O-ND1 3.17Å |
| 372 | Y | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 152.4 | 177.2 | -62.7 | -100.2 | 0 | 0 | 0 | 109.9 | M126 Q129 I130 L133 V346 V347 W348 I349 H394 | M126-Y372 HydrophobicContact CG-CD1 3.79Å; M126-Y372 HydrophobicContact CG-CE1 4.44Å; M126-Y372 HydrophobicContact SD-CD1 4.08Å; Q129-Y372 HydrophobicContact CG-CE1 4.3Å; Q129-Y372 PolarHBondContact NE2-OH 2.95Å; I130-Y372 VanDerWaalsContact CD1-CB 3.42Å; I130-Y372 HydrophobicContact CD1-CD1 3.84Å; I130-Y372 HydrophobicContact CD1-CD2 3.97Å; I130-Y372 HydrophobicContact CD1-CG 3.47Å; I130-Y372 VanDerWaalsContact CD1-CG 3.47Å; I130-Y372 HydrophobicContact CG1-CD1 3.67Å; I130-Y372 HydrophobicContact CG1-CD2 3.64Å; I130-Y372 HydrophobicContact CG1-CE1 3.97Å; I130-Y372 HydrophobicContact CG1-CE2 3.94Å; I130-Y372 HydrophobicContact CG1-CG 3.5Å; L133-Y372 HydrophobicContact CD1-CE2 4.26Å; L133-Y372 WeakPolarHBondContact CD1-OH 3.48Å; V346-Y372 HydrophobicContact CG1-CD2 3.97Å; V346-Y372 HydrophobicContact CG1-CE2 3.83Å; V347-Y372 PolarHBondContact O-N 2.78Å; W348-Y372 WeakPolarHBondContact CA-O 3.32Å; I349-Y372 PolarHBondContact N-O 3.4Å; Y372-H394 CarbonylContact C-O 3.53Å; Y372-H394 WeakPolarHBondContact CA-O 3.24Å; Y372-H394 HydrophobicContact CD1-CB 4.25Å; Y372-H394 AromaticContact CE1-CD2 3.97Å |
| 373 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 145.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I349 L360 F375 M390 H394 Y395 T396 | I349-A373 CarbonylContact O-C 3.5Å; I349-A373 WeakPolarHBondContact O-CA 3.44Å; L360-A373 HydrophobicContact CD1-CB 4.05Å; L360-A373 HydrophobicContact CD2-CB 4.48Å; A373-F375 HydrophobicContact CB-CD2 4.25Å; A373-F375 HydrophobicContact CB-CE2 4.12Å; A373-M390 HydrophobicContact CB-CE 3.81Å; A373-M390 HydrophobicContact CB-SD 3.75Å; A373-H394 PolarHBondContact N-O 3.44Å; A373-Y395 CarbonylContact O-C 3.5Å; A373-Y395 WeakPolarHBondContact O-CA 3.4Å; A373-Y395 WeakPolarHBondContact O-CB 3.31Å; A373-T396 PolarHBondContact O-N 3.23Å |
| 374 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.3 | 165.1 | -60 | 0 | 0 | 0 | 0 | 109.6 | M126 W348 I349 C350 G351 T396 V398 L404 | M126-T374 WeakPolarHBondContact CE-OG1 3.45Å; W348-T374 PolarHBondContact NE1-OG1 2.92Å; W348-T374 VanDerWaalsContact NE1-OG1 3.09Å; I349-T374 PolarHBondContact O-N 3.12Å; C350-T374 VanDerWaalsContact CA-O 3.22Å; C350-T374 WeakPolarHBondContact CA-O 3.44Å; G351-T374 PolarHBondContact N-O 2.83Å; T374-T396 WeakPolarHBondContact CA-O 3.48Å; T374-T396 WeakPolarHBondContact CB-OG1 3.33Å; T374-T396 VanDerWaalsContact CG2-OG1 3.23Å; T374-T396 WeakPolarHBondContact CG2-OG1 3.37Å; T374-T396 PolarHBondContact OG1-OG1 2.62Å; T374-V398 HydrophobicContact CG2-CG1 3.98Å; T374-V398 HydrophobicContact CG2-CG2 4Å; T374-L404 HydrophobicContact CG2-CD2 3.48Å; T374-L404 VanDerWaalsContact CG2-CD2 3.48Å; T374-L404 HydrophobicContact CG2-CG 4.17Å |
| 375 | F | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.1 | 175.9 | -82.8 | -111.7 | 0 | 0 | 0 | 111.8 | G351 D356 L357 L360 A373 P378 V382 I386 T396 I397 V398 | G351-F375 CarbonylContact O-C 3.37Å; G351-F375 WeakPolarHBondContact O-CA 3.22Å; D356-F375 HydrophobicContact CB-CE1 3.89Å; D356-F375 HydrophobicContact CB-CZ 4.11Å; L357-F375 HydrophobicContact CD2-CE1 4.35Å; L357-F375 HydrophobicContact CD2-CZ 4.17Å; L360-F375 HydrophobicContact CD2-CE2 4.06Å; L360-F375 HydrophobicContact CD2-CZ 4.39Å; A373-F375 HydrophobicContact CB-CD2 4.25Å; A373-F375 HydrophobicContact CB-CE2 4.12Å; F375-P378 HydrophobicContact CB-CB 4.16Å; F375-P378 HydrophobicContact CB-CG 3.76Å; F375-P378 HydrophobicContact CD1-CB 4.35Å; F375-V382 HydrophobicContact CD1-CG1 3.77Å; F375-V382 HydrophobicContact CE1-CG1 3.86Å; F375-I386 HydrophobicContact CB-CD1 3.81Å; F375-I386 HydrophobicContact CD1-CD1 3.78Å; F375-I386 HydrophobicContact CD2-CD1 3.36Å; F375-I386 HydrophobicContact CD2-CG1 4.27Å; F375-I386 HydrophobicContact CE1-CD1 4.14Å; F375-I386 HydrophobicContact CE2-CD1 3.79Å; F375-I386 HydrophobicContact CE2-CG1 4.29Å; F375-I386 HydrophobicContact CG-CD1 3.36Å; F375-I386 HydrophobicContact CZ-CD1 4.15Å; F375-T396 PolarHBondContact N-O 3.1Å; F375-I397 WeakPolarHBondContact O-CA 3.47Å; F375-I397 WeakPolarHBondContact O-CG2 3.31Å; F375-V398 PolarHBondContact O-N 2.93Å |
| 376 | V | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.9 | -178.2 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | G144 T145 G351 D352 P378 V398 C400 P401 L404 | G144-V376 WeakPolarHBondContact O-CB 3.46Å; G144-V376 VanDerWaalsContact O-CG1 3.29Å; G144-V376 WeakPolarHBondContact O-CG1 2.86Å; T145-V376 HydrophobicContact CG2-CG2 4.13Å; G351-V376 PolarHBondContact O-N 3.48Å; D352-V376 WeakPolarHBondContact CA-O 3.48Å; D352-V376 VanDerWaalsContact CB-O 3.3Å; D352-V376 WeakPolarHBondContact CB-O 3.49Å; V376-P378 VanDerWaalsContact C-N 3.31Å; V376-P378 VanDerWaalsContact O-N 3.13Å; V376-V398 HydrophobicContact CB-CG2 4.25Å; V376-V398 HydrophobicContact CG1-CG2 4.33Å; V376-V398 HydrophobicContact CG2-CG2 3.78Å; V376-C400 VanDerWaalsContact CG1-C 3.47Å; V376-P401 HydrophobicContact CG1-CG 4.2Å; V376-L404 HydrophobicContact CG2-CD1 3.5Å; V376-L404 HydrophobicContact CG2-CG 4.3Å |
| 377 | N | 97.2 | Very high | 97.8 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 40.2 | 48.5 | 179.9 | -165.7 | 31.9 | 0 | 0 | 0 | 115.4 | V398 | N377-V398 WeakPolarHBondContact CA-O 3.4Å; N377-V398 PolarHBondContact N-O 2.75Å |
| 378 | P | 97.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | trans | -68.8 | 151.9 | -175.5 | 30.2 | -38.3 | 0 | 0 | 0 | 112.5 | D352 F375 V376 V382 R383 I397 | D352-P378 VanDerWaalsContact O-CA 3.23Å; D352-P378 WeakPolarHBondContact O-CA 3.34Å; D352-P378 WeakPolarHBondContact O-CB 3.41Å; F375-P378 HydrophobicContact CB-CB 4.16Å; F375-P378 HydrophobicContact CB-CG 3.76Å; F375-P378 HydrophobicContact CD1-CB 4.35Å; V376-P378 VanDerWaalsContact C-N 3.31Å; V376-P378 VanDerWaalsContact O-N 3.13Å; P378-V382 HydrophobicContact CB-CB 3.91Å; P378-V382 HydrophobicContact CB-CG1 3.69Å; P378-R383 HydrophobicContact CB-CG 4.34Å; P378-R383 HydrophobicContact CG-CG 3.68Å; P378-R383 PolarHBondContact O-NE 2.83Å; P378-R383 PolarHBondContact O-NH2 3.41Å; P378-I397 HydrophobicContact CG-CG2 3.56Å | ||
| 379 | P | 97.1 | Very high | 97.9 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | trans | -58.9 | 156 | 167.6 | -22.2 | 32.3 | 0 | 0 | 0 | 112.8 | D352 E381 V382 R383 | D352-P379 WeakPolarHBondContact O-CD 3.18Å; P379-E381 VanDerWaalsContact C-N 3.26Å; P379-E381 PolarHBondContact O-N 2.82Å; P379-E381 VanDerWaalsContact O-N 3.16Å; P379-V382 WeakPolarHBondContact O-CB 3.31Å; P379-V382 PolarHBondContact O-N 2.81Å; P379-R383 PolarHBondContact O-N 3.34Å | ||
| 380 | D | 98 | Very high | 98 | Very high | 127 Ų | 127 | 46.3 Ų | 46.3 | 68% | 0.679 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.2 | -34.5 | -175.9 | -68.1 | -21.9 | 0 | 0 | 0 | 114.2 | V382 R383 S384 | D380-V382 VanDerWaalsContact C-N 3.33Å; D380-V382 PolarHBondContact O-N 2.97Å; D380-R383 PolarHBondContact O-N 3.06Å; D380-S384 WeakPolarHBondContact O-CB 3.4Å; D380-S384 PolarHBondContact O-N 2.98Å; D380-S384 PolarHBondContact O-OG 2.75Å |
| 381 | E | 97.9 | Very high | 97.8 | Very high | 120 Ų | 120 | 45.7 Ų | 45.7 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 175.2 | -171.9 | -168.3 | 154.4 | 0 | 0 | 111.4 | P379 S384 K385 | P379-E381 VanDerWaalsContact C-N 3.26Å; P379-E381 PolarHBondContact O-N 2.82Å; P379-E381 VanDerWaalsContact O-N 3.16Å; E381-S384 PolarHBondContact O-N 3.13Å; E381-K385 WeakPolarHBondContact O-CG 3.4Å; E381-K385 PolarHBondContact O-N 3.38Å; E381-K385 VanDerWaalsContact O-N 3.1Å; E381-K385 WeakPolarHBondContact OE1-CE 3.32Å; E381-K385 IonicContact OE1-NZ 2.78Å; E381-K385 PolarHBondContact OE1-NZ 3.1Å |
| 382 | V | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70 | -43.4 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | A354 L357 F375 P378 P379 D380 S384 K385 I386 | A354-V382 HydrophobicContact CB-CG2 3.89Å; L357-V382 HydrophobicContact CD1-CG1 4.49Å; L357-V382 HydrophobicContact CD1-CG2 4.32Å; L357-V382 HydrophobicContact CD2-CG1 4.09Å; L357-V382 HydrophobicContact CG-CG1 4.35Å; F375-V382 HydrophobicContact CD1-CG1 3.77Å; F375-V382 HydrophobicContact CE1-CG1 3.86Å; P378-V382 HydrophobicContact CB-CB 3.91Å; P378-V382 HydrophobicContact CB-CG1 3.69Å; P379-V382 WeakPolarHBondContact O-CB 3.31Å; P379-V382 PolarHBondContact O-N 2.81Å; D380-V382 VanDerWaalsContact C-N 3.33Å; D380-V382 PolarHBondContact O-N 2.97Å; V382-S384 VanDerWaalsContact C-N 3.29Å; V382-S384 PolarHBondContact O-N 3.04Å; V382-K385 PolarHBondContact O-N 2.91Å; V382-I386 HydrophobicContact CG1-CD1 3.88Å; V382-I386 WeakPolarHBondContact O-CG1 3.48Å; V382-I386 PolarHBondContact O-N 3.08Å |
| 383 | R | 98.4 | Very high | 97.4 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 27% | 0.268 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -53.8 | -47.1 | 173.7 | -65.1 | 180 | -178.7 | -99.6 | -5.5 | 111.5 | P378 P379 D380 I386 A387 I397 | P378-R383 HydrophobicContact CB-CG 4.34Å; P378-R383 HydrophobicContact CG-CG 3.68Å; P378-R383 PolarHBondContact O-NE 2.83Å; P378-R383 PolarHBondContact O-NH2 3.41Å; P379-R383 PolarHBondContact O-N 3.34Å; D380-R383 PolarHBondContact O-N 3.06Å; R383-I386 PolarHBondContact O-N 3.36Å; R383-A387 WeakPolarHBondContact O-CB 3.35Å; R383-A387 PolarHBondContact O-N 3.48Å; R383-I397 HydrophobicContact CB-CD1 4.18Å; R383-I397 HydrophobicContact CG-CD1 3.93Å |
| 384 | S | 98.1 | Very high | 97.4 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | -178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | D380 E381 V382 A388 | D380-S384 WeakPolarHBondContact O-CB 3.4Å; D380-S384 PolarHBondContact O-N 2.98Å; D380-S384 PolarHBondContact O-OG 2.75Å; E381-S384 PolarHBondContact O-N 3.13Å; V382-S384 VanDerWaalsContact C-N 3.29Å; V382-S384 PolarHBondContact O-N 3.04Å; S384-A388 VanDerWaalsContact O-CB 3.29Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 3.44Å |
| 385 | K | 98.1 | Very high | 97.4 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.7 | -74.2 | 177.6 | -174 | 170 | 0 | 112.5 | L357 E381 V382 A388 N389 | L357-K385 HydrophobicContact CD1-CB 4.38Å; L357-K385 HydrophobicContact CD1-CD 3.54Å; E381-K385 WeakPolarHBondContact O-CG 3.4Å; E381-K385 PolarHBondContact O-N 3.38Å; E381-K385 VanDerWaalsContact O-N 3.1Å; E381-K385 WeakPolarHBondContact OE1-CE 3.32Å; E381-K385 IonicContact OE1-NZ 2.78Å; E381-K385 PolarHBondContact OE1-NZ 3.1Å; V382-K385 PolarHBondContact O-N 2.91Å; K385-A388 PolarHBondContact O-N 2.9Å; K385-N389 WeakPolarHBondContact O-CB 3.45Å; K385-N389 PolarHBondContact O-N 2.96Å; K385-N389 PolarHBondContact O-ND2 3.07Å |
| 386 | I | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -52.1 | 176.4 | -65.7 | 161.9 | 0 | 0 | 0 | 110 | L357 L360 F375 V382 R383 A388 N389 M390 Y395 | L357-I386 HydrophobicContact CD2-CG1 4.23Å; L360-I386 HydrophobicContact CD2-CG1 4.11Å; F375-I386 HydrophobicContact CB-CD1 3.81Å; F375-I386 HydrophobicContact CD1-CD1 3.78Å; F375-I386 HydrophobicContact CD2-CD1 3.36Å; F375-I386 HydrophobicContact CD2-CG1 4.27Å; F375-I386 HydrophobicContact CE1-CD1 4.14Å; F375-I386 HydrophobicContact CE2-CD1 3.79Å; F375-I386 HydrophobicContact CE2-CG1 4.29Å; F375-I386 HydrophobicContact CG-CD1 3.36Å; F375-I386 HydrophobicContact CZ-CD1 4.15Å; V382-I386 HydrophobicContact CG1-CD1 3.88Å; V382-I386 WeakPolarHBondContact O-CG1 3.48Å; V382-I386 PolarHBondContact O-N 3.08Å; R383-I386 PolarHBondContact O-N 3.36Å; I386-A388 PolarHBondContact O-N 2.87Å; I386-N389 PolarHBondContact O-N 3.42Å; I386-N389 VanDerWaalsContact O-N 3.09Å; I386-M390 HydrophobicContact CG2-SD 3.99Å; I386-M390 WeakPolarHBondContact O-CB 3.28Å; I386-M390 PolarHBondContact O-N 2.86Å; I386-Y395 HydrophobicContact CG2-CD1 3.94Å; I386-Y395 HydrophobicContact CG2-CD2 3.54Å; I386-Y395 HydrophobicContact CG2-CE1 4.35Å; I386-Y395 HydrophobicContact CG2-CE2 4Å; I386-Y395 HydrophobicContact CG2-CG 3.52Å |
| 387 | A | 97.6 | Very high | 97.4 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.1 | -29.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R383 Y395 | R383-A387 WeakPolarHBondContact O-CB 3.35Å; R383-A387 PolarHBondContact O-N 3.48Å; A387-Y395 WeakPolarHBondContact CB-OH 3.34Å |
| 388 | A | 97.2 | Very high | 97.4 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 67% | 0.669 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -76.1 | -26.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S384 K385 I386 | S384-A388 VanDerWaalsContact O-CB 3.29Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 3.44Å; K385-A388 PolarHBondContact O-N 2.9Å; I386-A388 PolarHBondContact O-N 2.87Å |
| 389 | N | 96.5 | Very high | 97.4 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -109.5 | -11.2 | -170.6 | -69 | -42.1 | 0 | 0 | 0 | 114.2 | L364 K385 I386 | L364-N389 HydrophobicContact CD1-CB 4.04Å; K385-N389 WeakPolarHBondContact O-CB 3.45Å; K385-N389 PolarHBondContact O-N 2.96Å; K385-N389 PolarHBondContact O-ND2 3.07Å; I386-N389 PolarHBondContact O-N 3.42Å; I386-N389 VanDerWaalsContact O-N 3.09Å |
| 390 | M | 97.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -126.4 | 148.7 | -175.1 | -60.7 | -171.1 | 74.5 | 0 | 0 | 112.6 | L360 L364 T371 A373 I386 H394 Y395 | L360-M390 HydrophobicContact CD1-CE 4.14Å; L360-M390 HydrophobicContact CD1-SD 3.71Å; L360-M390 HydrophobicContact CD2-SD 3.77Å; L360-M390 HydrophobicContact CG-SD 4.28Å; L364-M390 HydrophobicContact CD1-CG 3.87Å; L364-M390 HydrophobicContact CD1-SD 4.49Å; L364-M390 HydrophobicContact CD2-CE 4.4Å; L364-M390 HydrophobicContact CD2-CG 4.14Å; T371-M390 WeakPolarHBondContact O-CE 3.45Å; A373-M390 HydrophobicContact CB-CE 3.81Å; A373-M390 HydrophobicContact CB-SD 3.75Å; I386-M390 HydrophobicContact CG2-SD 3.99Å; I386-M390 WeakPolarHBondContact O-CB 3.28Å; I386-M390 PolarHBondContact O-N 2.86Å; M390-H394 HydrophobicContact CE-CB 3.95Å; M390-H394 VanDerWaalsContact CE-O 3.22Å; M390-H394 WeakPolarHBondContact CE-O 3.42Å; M390-Y395 HydrophobicContact CB-CD1 3.64Å; M390-Y395 HydrophobicContact CB-CE1 4.22Å |
| 391 | A | 94.8 | Very high | 97.4 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | trans | -66.1 | 144.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D393 H394 Y395 | A391-D393 VanDerWaalsContact CB-OD1 3.27Å; A391-D393 WeakPolarHBondContact CB-OD1 3.46Å; A391-D393 PolarHBondContact O-N 3.41Å; A391-D393 VanDerWaalsContact O-N 3.07Å; A391-H394 HydrophobicContact CB-CB 4.37Å; A391-H394 WeakPolarHBondContact O-CB 3.43Å; A391-H394 PolarHBondContact O-N 2.92Å; A391-Y395 VanDerWaalsContact O-CD1 3.25Å; A391-Y395 WeakPolarHBondContact O-CD1 3.4Å | ||
| 392 | P | 94.1 | Very high | 97.4 | Very high | 110 Ų | 110 | 42.4 Ų | 42.4 | 71% | 0.714 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -22.5 | -176.2 | -27.3 | 35.6 | 0 | 0 | 0 | 115.9 | ||
| 393 | D | 95.1 | Very high | 97.4 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.3 | 177.3 | 60.8 | -31.7 | 0 | 0 | 0 | 113.5 | A391 | A391-D393 VanDerWaalsContact CB-OD1 3.27Å; A391-D393 WeakPolarHBondContact CB-OD1 3.46Å; A391-D393 PolarHBondContact O-N 3.41Å; A391-D393 VanDerWaalsContact O-N 3.07Å |
| 394 | H | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 39 Ų | 39 | 13% | 0.13 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -99 | -2 | 178.7 | -75.1 | -146.9 | 0 | 0 | 0 | 113 | K369 T371 Y372 A373 M390 A391 | K369-H394 PolarHBondContact O-CE1 3.36Å; T371-H394 PolarHBondContact O-ND1 3.17Å; Y372-H394 CarbonylContact C-O 3.53Å; Y372-H394 WeakPolarHBondContact CA-O 3.24Å; Y372-H394 HydrophobicContact CD1-CB 4.25Å; Y372-H394 AromaticContact CE1-CD2 3.97Å; A373-H394 PolarHBondContact N-O 3.44Å; M390-H394 HydrophobicContact CE-CB 3.95Å; M390-H394 VanDerWaalsContact CE-O 3.22Å; M390-H394 WeakPolarHBondContact CE-O 3.42Å; A391-H394 HydrophobicContact CB-CB 4.37Å; A391-H394 WeakPolarHBondContact O-CB 3.43Å; A391-H394 PolarHBondContact O-N 2.92Å |
| 395 | Y | 98.5 | Very high | 97.4 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 19% | 0.192 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.7 | 175.2 | 73.1 | -87.4 | 0 | 0 | 0 | 113.7 | A373 I386 A387 M390 A391 I397 | A373-Y395 CarbonylContact O-C 3.5Å; A373-Y395 WeakPolarHBondContact O-CA 3.4Å; A373-Y395 WeakPolarHBondContact O-CB 3.31Å; I386-Y395 HydrophobicContact CG2-CD1 3.94Å; I386-Y395 HydrophobicContact CG2-CD2 3.54Å; I386-Y395 HydrophobicContact CG2-CE1 4.35Å; I386-Y395 HydrophobicContact CG2-CE2 4Å; I386-Y395 HydrophobicContact CG2-CG 3.52Å; A387-Y395 WeakPolarHBondContact CB-OH 3.34Å; M390-Y395 HydrophobicContact CB-CD1 3.64Å; M390-Y395 HydrophobicContact CB-CE1 4.22Å; A391-Y395 VanDerWaalsContact O-CD1 3.25Å; A391-Y395 WeakPolarHBondContact O-CD1 3.4Å; Y395-I397 HydrophobicContact CD2-CD1 4.37Å; Y395-I397 HydrophobicContact CD2-CG1 3.94Å; Y395-I397 HydrophobicContact CE2-CD1 4.06Å; Y395-I397 HydrophobicContact CE2-CG1 4.03Å |
| 396 | T | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 152 | 166 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | T123 M126 A373 T374 F375 | T123-T396 PolarHBondContact OG1-OG1 3.41Å; T123-T396 VanDerWaalsContact OG1-OG1 3.13Å; M126-T396 HydrophobicContact CB-CG2 4.24Å; M126-T396 HydrophobicContact CE-CG2 4.2Å; M126-T396 HydrophobicContact SD-CG2 4.09Å; A373-T396 PolarHBondContact O-N 3.23Å; T374-T396 WeakPolarHBondContact CA-O 3.48Å; T374-T396 WeakPolarHBondContact CB-OG1 3.33Å; T374-T396 VanDerWaalsContact CG2-OG1 3.23Å; T374-T396 WeakPolarHBondContact CG2-OG1 3.37Å; T374-T396 PolarHBondContact OG1-OG1 2.62Å; F375-T396 PolarHBondContact N-O 3.1Å |
| 397 | I | 98.3 | Very high | 97.4 | Very high | 44 Ų | 44 | 31.1 Ų | 31.1 | 23% | 0.226 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.9 | 170.8 | -49.8 | -174.2 | 0 | 0 | 0 | 107.4 | F375 P378 R383 Y395 | F375-I397 WeakPolarHBondContact O-CA 3.47Å; F375-I397 WeakPolarHBondContact O-CG2 3.31Å; P378-I397 HydrophobicContact CG-CG2 3.56Å; R383-I397 HydrophobicContact CB-CD1 4.18Å; R383-I397 HydrophobicContact CG-CD1 3.93Å; Y395-I397 HydrophobicContact CD2-CD1 4.37Å; Y395-I397 HydrophobicContact CD2-CG1 3.94Å; Y395-I397 HydrophobicContact CE2-CD1 4.06Å; Y395-I397 HydrophobicContact CE2-CG1 4.03Å |
| 398 | V | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 158.4 | -172.2 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | E119 T123 T374 F375 V376 N377 V403 | E119-V398 HydrophobicContact CB-CG1 4.27Å; E119-V398 WeakPolarHBondContact OE2-CA 3.46Å; T123-V398 WeakPolarHBondContact OG1-CG1 3.2Å; T374-V398 HydrophobicContact CG2-CG1 3.98Å; T374-V398 HydrophobicContact CG2-CG2 4Å; F375-V398 PolarHBondContact O-N 2.93Å; V376-V398 HydrophobicContact CB-CG2 4.25Å; V376-V398 HydrophobicContact CG1-CG2 4.33Å; V376-V398 HydrophobicContact CG2-CG2 3.78Å; N377-V398 WeakPolarHBondContact CA-O 3.4Å; N377-V398 PolarHBondContact N-O 2.75Å; V398-V403 HydrophobicContact CB-CB 3.93Å; V398-V403 HydrophobicContact CB-CG1 3.8Å; V398-V403 HydrophobicContact CB-CG2 4.3Å; V398-V403 HydrophobicContact CG1-CB 4.21Å; V398-V403 HydrophobicContact CG1-CG1 3.53Å; V398-V403 HydrophobicContact CG2-CB 4.24Å; V398-V403 HydrophobicContact CG2-CG1 4.43Å |
| 399 | G | 97.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 25 Ų | 25 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -85.4 | -23.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E119 | E119-G399 PolarHBondContact OE1-N 3.14Å; E119-G399 PolarHBondContact OE2-N 3.13Å |
| 400 | C | 97.5 | Very high | 97.4 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 7% | 0.068 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -155.9 | 161.9 | 179.3 | 67 | 0 | 0 | 0 | 0 | 113.7 | V376 E402 V403 | V376-C400 VanDerWaalsContact CG1-C 3.47Å; C400-E402 VanDerWaalsContact CB-OE2 3.31Å; C400-E402 WeakPolarHBondContact CB-OE2 3.46Å; C400-E402 PolarHBondContact O-N 3.41Å; C400-E402 PolarHBondContact SG-OE2 3.42Å; C400-V403 PolarHBondContact O-N 2.99Å |
| 401 | P | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 5% | 0.045 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.3 | -31.7 | 177.5 | -31.1 | 39.6 | 0 | 0 | 0 | 114.6 | T145 V376 V403 L404 H405 | T145-P401 VanDerWaalsContact O-CB 3.24Å; T145-P401 WeakPolarHBondContact O-CB 3.49Å; V376-P401 HydrophobicContact CG1-CG 4.2Å; P401-V403 PolarHBondContact O-N 2.78Å; P401-L404 WeakPolarHBondContact O-CB 3.37Å; P401-L404 PolarHBondContact O-N 2.66Å; P401-L404 VanDerWaalsContact O-N 3.12Å; P401-H405 PolarHBondContact O-CD2 3.45Å; P401-H405 PolarHBondContact O-N 2.58Å |
| 402 | E | 97.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 2% | 0.023 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.8 | -29.8 | -179.2 | -71.1 | 73.4 | -166.7 | 0 | 0 | 112.7 | K83 L105 F116 Y161 C400 H405 A406 | K83-E402 IonicContact NZ-OE1 2.81Å; K83-E402 PolarHBondContact NZ-OE1 3.43Å; L105-E402 HydrophobicContact CB-CB 4.16Å; L105-E402 HydrophobicContact CB-CG 4.28Å; L105-E402 HydrophobicContact CD1-CB 4.19Å; L105-E402 HydrophobicContact CD1-CG 4.28Å; L105-E402 HydrophobicContact CD2-CG 3.93Å; L105-E402 HydrophobicContact CG-CG 4.39Å; F116-E402 HydrophobicContact CE2-CB 3.87Å; Y161-E402 PolarHBondContact OH-OE1 2.91Å; Y161-E402 VanDerWaalsContact OH-OE1 3.08Å; C400-E402 VanDerWaalsContact CB-OE2 3.31Å; C400-E402 WeakPolarHBondContact CB-OE2 3.46Å; C400-E402 PolarHBondContact O-N 3.41Å; C400-E402 PolarHBondContact SG-OE2 3.42Å; E402-H405 PolarHBondContact O-N 3.35Å; E402-A406 VanDerWaalsContact O-CB 3.31Å; E402-A406 WeakPolarHBondContact O-CB 3.43Å; E402-A406 PolarHBondContact O-N 2.83Å |
| 403 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | F116 E119 V120 V398 C400 P401 H405 A406 A407 | F116-V403 HydrophobicContact CD2-CG2 3.62Å; F116-V403 HydrophobicContact CE2-CG2 3.88Å; E119-V403 HydrophobicContact CB-CG1 3.86Å; E119-V403 HydrophobicContact CB-CG2 4.21Å; V120-V403 HydrophobicContact CG2-CB 4.3Å; V120-V403 HydrophobicContact CG2-CG1 3.86Å; V120-V403 HydrophobicContact CG2-CG2 4.39Å; V398-V403 HydrophobicContact CB-CB 3.93Å; V398-V403 HydrophobicContact CB-CG1 3.8Å; V398-V403 HydrophobicContact CB-CG2 4.3Å; V398-V403 HydrophobicContact CG1-CB 4.21Å; V398-V403 HydrophobicContact CG1-CG1 3.53Å; V398-V403 HydrophobicContact CG2-CB 4.24Å; V398-V403 HydrophobicContact CG2-CG1 4.43Å; C400-V403 PolarHBondContact O-N 2.99Å; P401-V403 PolarHBondContact O-N 2.78Å; V403-H405 VanDerWaalsContact C-N 3.33Å; V403-H405 PolarHBondContact O-N 2.82Å; V403-A406 PolarHBondContact O-N 2.85Å; V403-A407 WeakPolarHBondContact O-CB 3.42Å; V403-A407 PolarHBondContact O-N 2.62Å |
| 404 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 176.5 | -77.9 | 172.4 | 0 | 0 | 0 | 110.8 | T123 T145 M146 W348 C350 T374 V376 P401 A407 M408 | T123-L404 HydrophobicContact CG2-CD2 4.49Å; T145-L404 HydrophobicContact CG2-CD1 4.04Å; M146-L404 HydrophobicContact CE-CB 4.33Å; M146-L404 HydrophobicContact CE-CD1 3.51Å; M146-L404 HydrophobicContact CE-CG 4.47Å; W348-L404 HydrophobicContact CH2-CD2 3.9Å; W348-L404 HydrophobicContact CZ2-CD2 3.46Å; W348-L404 VanDerWaalsContact CZ2-CD2 3.46Å; C350-L404 HydrophobicContact CB-CD1 4.43Å; T374-L404 HydrophobicContact CG2-CD2 3.48Å; T374-L404 VanDerWaalsContact CG2-CD2 3.48Å; T374-L404 HydrophobicContact CG2-CG 4.17Å; V376-L404 HydrophobicContact CG2-CD1 3.5Å; V376-L404 HydrophobicContact CG2-CG 4.3Å; P401-L404 WeakPolarHBondContact O-CB 3.37Å; P401-L404 PolarHBondContact O-N 2.66Å; P401-L404 VanDerWaalsContact O-N 3.12Å; L404-A407 PolarHBondContact O-N 2.75Å; L404-M408 VanDerWaalsContact O-CG 3.28Å; L404-M408 WeakPolarHBondContact O-CG 3.23Å; L404-M408 PolarHBondContact O-N 3.39Å |
| 405 | H | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 179.1 | -77.3 | -48.3 | 0 | 0 | 0 | 112.9 | M146 Y161 S162 W165 P401 E402 V403 M408 E409 | M146-H405 PolarHBondContact O-NE2 2.92Å; Y161-H405 HydrophobicContact CE2-CB 4.31Å; Y161-H405 AromaticContact CE2-CD2 3.9Å; S162-H405 WeakPolarHBondContact CB-NE2 3.24Å; S162-H405 PolarHBondContact OG-CE1 2.84Å; S162-H405 PolarHBondContact OG-NE2 3.14Å; W165-H405 HydrophobicContact CE3-CB 3.56Å; W165-H405 HydrophobicContact CZ3-CB 3.68Å; P401-H405 PolarHBondContact O-CD2 3.45Å; P401-H405 PolarHBondContact O-N 2.58Å; E402-H405 PolarHBondContact O-N 3.35Å; V403-H405 VanDerWaalsContact C-N 3.33Å; V403-H405 PolarHBondContact O-N 2.82Å; H405-M408 PolarHBondContact O-N 3.33Å; H405-E409 PolarHBondContact O-N 3.15Å |
| 406 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V102 F116 V120 E402 V403 E409 G410 | V102-A406 HydrophobicContact CB-CB 4.49Å; V102-A406 HydrophobicContact CG1-CB 3.71Å; V102-A406 HydrophobicContact CG2-CB 4.08Å; F116-A406 HydrophobicContact CE1-CB 4.47Å; F116-A406 HydrophobicContact CZ-CB 3.76Å; V120-A406 HydrophobicContact CG1-CB 4.22Å; V120-A406 HydrophobicContact CG2-CB 3.69Å; E402-A406 VanDerWaalsContact O-CB 3.31Å; E402-A406 WeakPolarHBondContact O-CB 3.43Å; E402-A406 PolarHBondContact O-N 2.83Å; V403-A406 PolarHBondContact O-N 2.85Å; A406-E409 WeakPolarHBondContact O-CB 3.15Å; A406-E409 PolarHBondContact O-N 2.98Å; A406-G410 PolarHBondContact O-N 2.89Å |
| 407 | A | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T123 E124 L127 V403 L404 G410 I411 | T123-A407 HydrophobicContact CG2-CB 3.63Å; E124-A407 HydrophobicContact CG-CB 4.01Å; L127-A407 HydrophobicContact CD1-CB 3.9Å; V403-A407 WeakPolarHBondContact O-CB 3.42Å; V403-A407 PolarHBondContact O-N 2.62Å; L404-A407 PolarHBondContact O-N 2.75Å; A407-G410 PolarHBondContact O-N 2.66Å; A407-I411 VanDerWaalsContact O-CG1 3.3Å; A407-I411 WeakPolarHBondContact O-CG1 3.35Å; A407-I411 PolarHBondContact O-N 2.97Å; A407-I411 VanDerWaalsContact O-N 3.12Å |
| 408 | M | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 172.1 | -71.7 | 177.5 | -165.4 | 0 | 0 | 111.1 | F138 M146 F169 W348 L404 H405 G410 I411 M412 | F138-M408 HydrophobicContact CE1-CE 3.59Å; F138-M408 HydrophobicContact CE2-CE 4.43Å; F138-M408 HydrophobicContact CZ-CE 3.44Å; F138-M408 VanDerWaalsContact CZ-CE 3.44Å; M146-M408 HydrophobicContact CE-CE 4.14Å; M146-M408 HydrophobicContact SD-CE 4.35Å; F169-M408 HydrophobicContact CB-CG 4.46Å; F169-M408 HydrophobicContact CB-SD 4.15Å; F169-M408 HydrophobicContact CD1-SD 4.41Å; F169-M408 HydrophobicContact CD2-CB 3.71Å; F169-M408 HydrophobicContact CD2-CG 3.61Å; F169-M408 HydrophobicContact CD2-SD 4.31Å; F169-M408 HydrophobicContact CE2-CB 4.26Å; F169-M408 HydrophobicContact CE2-CG 3.9Å; F169-M408 HydrophobicContact CG-CB 4.29Å; F169-M408 HydrophobicContact CG-CG 3.96Å; F169-M408 HydrophobicContact CG-SD 4.04Å; F169-M408 HydrophobicContact CZ-CG 4.48Å; W348-M408 HydrophobicContact CH2-CE 3.61Å; W348-M408 HydrophobicContact CH2-CG 4.3Å; W348-M408 HydrophobicContact CZ3-CE 3.72Å; W348-M408 HydrophobicContact CZ3-CG 4.42Å; L404-M408 VanDerWaalsContact O-CG 3.28Å; L404-M408 WeakPolarHBondContact O-CG 3.23Å; L404-M408 PolarHBondContact O-N 3.39Å; H405-M408 PolarHBondContact O-N 3.33Å; M408-G410 PolarHBondContact O-N 2.96Å; M408-I411 PolarHBondContact O-N 3.09Å; M408-M412 HydrophobicContact CB-CE 4.36Å; M408-M412 WeakPolarHBondContact O-CE 3.18Å; M408-M412 VanDerWaalsContact O-CG 3.27Å; M408-M412 WeakPolarHBondContact O-CG 3.3Å; M408-M412 PolarHBondContact O-N 3.2Å |
| 409 | E | 96 | Very high | 92.5 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.9 | -50.5 | 174.9 | -171.2 | -72 | 146.4 | 0 | 0 | 111.3 | P98 V102 W165 H405 A406 I411 M412 R413 | P98-E409 HydrophobicContact CB-CG 3.98Å; P98-E409 VanDerWaalsContact CB-OE1 3.29Å; P98-E409 WeakPolarHBondContact CB-OE1 3.21Å; V102-E409 HydrophobicContact CG2-CB 4.18Å; V102-E409 HydrophobicContact CG2-CG 4.1Å; W165-E409 HydrophobicContact CD2-CB 4.42Å; W165-E409 HydrophobicContact CH2-CB 4.49Å; W165-E409 HydrophobicContact CZ2-CB 4Å; W165-E409 HydrophobicContact CZ2-CG 3.8Å; H405-E409 PolarHBondContact O-N 3.15Å; A406-E409 WeakPolarHBondContact O-CB 3.15Å; A406-E409 PolarHBondContact O-N 2.98Å; E409-I411 VanDerWaalsContact C-N 3.33Å; E409-I411 PolarHBondContact O-N 3.44Å; E409-M412 PolarHBondContact O-N 3.41Å; E409-M412 VanDerWaalsContact O-N 3.12Å; E409-R413 WeakPolarHBondContact O-CB 3.45Å; E409-R413 PolarHBondContact O-N 3.34Å; E409-R413 WeakPolarHBondContact OE1-CD 3.19Å; E409-R413 IonicContact OE1-NE 3.65Å; E409-R413 PolarHBondContact OE1-NE 3.09Å; E409-R413 IonicContact OE2-CZ 2.62Å; E409-R413 IonicContact OE2-NE 3.7Å; E409-R413 PolarHBondContact OE2-NE 3.3Å; E409-R413 IonicContact OE2-NH2 2.7Å |
| 410 | G | 96 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E124 A406 A407 M408 R413 E414 | E124-G410 WeakPolarHBondContact OE1-CA 3.38Å; A406-G410 PolarHBondContact O-N 2.89Å; A407-G410 PolarHBondContact O-N 2.66Å; M408-G410 PolarHBondContact O-N 2.96Å; G410-R413 PolarHBondContact O-N 3.4Å; G410-E414 WeakPolarHBondContact O-CB 3.35Å; G410-E414 PolarHBondContact O-N 2.9Å |
| 411 | I | 96.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 175 | -65.6 | -66.4 | 0 | 0 | 0 | 111.8 | L127 K128 M131 A407 M408 E409 R413 E414 K415 | L127-I411 HydrophobicContact CB-CD1 3.68Å; L127-I411 HydrophobicContact CB-CG1 3.68Å; L127-I411 HydrophobicContact CD1-CG1 3.92Å; L127-I411 HydrophobicContact CG-CG1 4.46Å; K128-I411 HydrophobicContact CB-CD1 4.45Å; K128-I411 HydrophobicContact CG-CD1 3.51Å; M131-I411 HydrophobicContact CG-CG2 3.64Å; M131-I411 HydrophobicContact SD-CG2 4.09Å; A407-I411 VanDerWaalsContact O-CG1 3.3Å; A407-I411 WeakPolarHBondContact O-CG1 3.35Å; A407-I411 PolarHBondContact O-N 2.97Å; A407-I411 VanDerWaalsContact O-N 3.12Å; M408-I411 PolarHBondContact O-N 3.09Å; E409-I411 VanDerWaalsContact C-N 3.33Å; E409-I411 PolarHBondContact O-N 3.44Å; I411-R413 VanDerWaalsContact C-N 3.35Å; I411-E414 PolarHBondContact O-N 3.37Å; I411-K415 PolarHBondContact O-N 2.7Å |
| 412 | M | 95 | Very high | 90 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 179.2 | -70.1 | -177.9 | -61.1 | 0 | 0 | 110.9 | W165 I168 F169 M408 E409 K415 G416 I417 T419 | W165-M412 HydrophobicContact CB-CE 4.12Å; W165-M412 HydrophobicContact CG-CE 4.19Å; I168-M412 HydrophobicContact CB-CE 4.48Å; I168-M412 HydrophobicContact CB-SD 3.71Å; I168-M412 HydrophobicContact CG2-CE 4.42Å; I168-M412 HydrophobicContact CG2-CG 4.5Å; I168-M412 HydrophobicContact CG2-SD 3.3Å; I168-M412 WeakPolarHBondContact CG2-SD 3.24Å; F169-M412 HydrophobicContact CB-SD 3.99Å; F169-M412 HydrophobicContact CD2-CG 4.36Å; F169-M412 HydrophobicContact CD2-SD 4.46Å; F169-M412 PolarHBondContact N-SD 2.87Å; M408-M412 HydrophobicContact CB-CE 4.36Å; M408-M412 WeakPolarHBondContact O-CE 3.18Å; M408-M412 VanDerWaalsContact O-CG 3.27Å; M408-M412 WeakPolarHBondContact O-CG 3.3Å; M408-M412 PolarHBondContact O-N 3.2Å; E409-M412 PolarHBondContact O-N 3.41Å; E409-M412 VanDerWaalsContact O-N 3.12Å; M412-K415 PolarHBondContact O-N 3.31Å; M412-G416 PolarHBondContact O-N 3.24Å; M412-I417 HydrophobicContact CB-CB 4.14Å; M412-I417 HydrophobicContact CB-CD1 4.38Å; M412-I417 HydrophobicContact CB-CG2 4.44Å; M412-I417 HydrophobicContact CG-CD1 4.27Å; M412-I417 WeakPolarHBondContact O-CB 3.41Å; M412-I417 PolarHBondContact O-N 3.04Å; M412-T419 HydrophobicContact CE-CG2 4.23Å |
| 413 | R | 92.8 | Very high | 89.5 | Confident | 108 Ų | 108 | 41.1 Ų | 41.1 | 41% | 0.408 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.1 | -178.5 | 170 | 49.6 | 68.9 | 3.4 | 112.4 | E409 G410 I411 K415 G416 | E409-R413 WeakPolarHBondContact O-CB 3.45Å; E409-R413 PolarHBondContact O-N 3.34Å; E409-R413 WeakPolarHBondContact OE1-CD 3.19Å; E409-R413 IonicContact OE1-NE 3.65Å; E409-R413 PolarHBondContact OE1-NE 3.09Å; E409-R413 IonicContact OE2-CZ 2.62Å; E409-R413 IonicContact OE2-NE 3.7Å; E409-R413 PolarHBondContact OE2-NE 3.3Å; E409-R413 IonicContact OE2-NH2 2.7Å; G410-R413 PolarHBondContact O-N 3.4Å; I411-R413 VanDerWaalsContact C-N 3.35Å; R413-K415 VanDerWaalsContact C-N 3.29Å; R413-K415 PolarHBondContact O-N 2.93Å; R413-G416 PolarHBondContact O-N 2.87Å |
| 414 | E | 91.5 | Very high | 89 | Confident | 122 Ų | 122 | 43.5 Ų | 43.5 | 57% | 0.57 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -62.9 | -36 | 176.7 | -172.7 | 173.3 | 147.5 | 0 | 0 | 112.2 | K128 G410 I411 G416 | K128-E414 WeakPolarHBondContact CE-OE2 3.31Å; K128-E414 IonicContact NZ-OE2 3.27Å; K128-E414 PolarHBondContact NZ-OE2 2.93Å; G410-E414 WeakPolarHBondContact O-CB 3.35Å; G410-E414 PolarHBondContact O-N 2.9Å; I411-E414 PolarHBondContact O-N 3.37Å; E414-G416 PolarHBondContact O-N 3.24Å |
| 415 | K | 90.3 | Very high | 88.4 | Confident | 108 Ų | 108 | 46.3 Ų | 46.3 | 47% | 0.47 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.5 | 173.9 | -75.8 | -171.5 | 161.8 | -168.8 | 0 | 114.3 | M131 I411 M412 R413 I417 | M131-K415 PolarHBondContact SD-NZ 2.72Å; M131-K415 VanDerWaalsContact SD-NZ 3.37Å; I411-K415 PolarHBondContact O-N 2.7Å; M412-K415 PolarHBondContact O-N 3.31Å; R413-K415 VanDerWaalsContact C-N 3.29Å; R413-K415 PolarHBondContact O-N 2.93Å; K415-I417 HydrophobicContact CB-CD1 3.89Å; K415-I417 HydrophobicContact CB-CG1 4.04Å; K415-I417 HydrophobicContact CD-CD1 4.18Å; K415-I417 PolarHBondContact O-N 2.86Å |
| 416 | G | 88.5 | Confident | 87.8 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 60% | 0.598 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 18.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M412 R413 E414 R418 | M412-G416 PolarHBondContact O-N 3.24Å; R413-G416 PolarHBondContact O-N 2.87Å; E414-G416 PolarHBondContact O-N 3.24Å; G416-R418 PolarHBondContact O-N 3.16Å |
| 417 | I | 85.7 | Confident | 87.1 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | trans | -70.5 | 115.8 | 171 | -63.1 | 160.4 | 0 | 0 | 0 | 106.1 | I168 F172 M412 K415 T419 | I168-I417 HydrophobicContact CG2-CG2 3.74Å; F172-I417 HydrophobicContact CB-CD1 3.51Å; F172-I417 HydrophobicContact CB-CG1 4.14Å; F172-I417 HydrophobicContact CB-CG2 4.33Å; F172-I417 HydrophobicContact CD2-CG2 3.58Å; F172-I417 HydrophobicContact CE2-CG2 3.97Å; F172-I417 HydrophobicContact CG-CD1 4.25Å; F172-I417 HydrophobicContact CG-CG1 4.38Å; F172-I417 HydrophobicContact CG-CG2 3.98Å; M412-I417 HydrophobicContact CB-CB 4.14Å; M412-I417 HydrophobicContact CB-CD1 4.38Å; M412-I417 HydrophobicContact CB-CG2 4.44Å; M412-I417 HydrophobicContact CG-CD1 4.27Å; M412-I417 WeakPolarHBondContact O-CB 3.41Å; M412-I417 PolarHBondContact O-N 3.04Å; K415-I417 HydrophobicContact CB-CD1 3.89Å; K415-I417 HydrophobicContact CB-CG1 4.04Å; K415-I417 HydrophobicContact CD-CD1 4.18Å; K415-I417 PolarHBondContact O-N 2.86Å; I417-T419 PolarHBondContact O-N 3.13Å | ||
| 418 | R | 68.4 | Low | 86.2 | Confident | 222 Ų | 222 | 56.9 Ų | 56.9 | 84% | 0.838 | 27% | 0.271 | S | S | * | . | trans | -65.1 | 102.4 | -179.7 | -69.8 | -171.8 | -178.1 | -167.2 | 0.4 | 110.2 | G416 | G416-R418 PolarHBondContact O-N 3.16Š| ||
| 419 | T | 63.3 | Low | 85.3 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.08 | 29% | 0.294 | C | S | . | . | trans | -78.5 | 115.3 | 146.5 | 50.7 | 0 | 0 | 0 | 0 | 104.7 | P98 Y164 M412 I417 | P98-T419 WeakPolarHBondContact CG-OG1 3.4Å; Y164-T419 HydrophobicContact CE1-CG2 4.3Å; Y164-T419 WeakPolarHBondContact OH-CA 3.33Å; M412-T419 HydrophobicContact CE-CG2 4.23Å; I417-T419 PolarHBondContact O-N 3.13Å | ||
| 420 | I | 59.2 | Low | 84.3 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | trans | -64.4 | 0 | -160.6 | -49.8 | 148.7 | 0 | 0 | 0 | 111.9 | L29 G32 M91 Y164 | L29-I420 WeakPolarHBondContact O-CD1 3.18Å; G32-I420 VanDerWaalsContact CA-CD1 3.47Å; M91-I420 WeakPolarHBondContact CE-O 3.37Å; Y164-I420 PolarHBondContact OH-N 2.64Å |
Retrieved 420 of 420 residues in 793.4 ms
(Link to these results)