| 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 | 26.5 | Very low | 44.1 | Very low | 241 Ų | 241 | 110.8 Ų | 110.8 | 100% | 1.187 | 63% | 0.633 | S | S | * | * | 0 | 98.8 | 0 | -63.8 | -172.5 | -163.6 | 0 | 0 | 107.1 | |||||
| 2 | C | 28.6 | Very low | 46.2 | Very low | 116 Ų | 116 | 102.8 Ų | 102.8 | 78% | 0.784 | 59% | 0.588 | S | S | * | * | trans | -85.5 | 112.2 | 179.9 | -64.7 | 0 | 0 | 0 | 0 | 108.4 | A4 | C2-A4 PolarHBondContact O-N 3.08Š| ||
| 3 | T | 34.8 | Very low | 47.5 | Very low | 122 Ų | 122 | 96.9 Ų | 96.9 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | trans | -70.4 | 118.1 | 169.4 | 31 | 0 | 0 | 0 | 0 | 108.3 | L5 | T3-L5 PolarHBondContact O-N 2.74Š| ||
| 4 | A | 39.3 | Very low | 48.7 | Very low | 103 Ų | 103 | 96.4 Ų | 96.4 | 85% | 0.851 | 56% | 0.557 | S | S | * | * | trans | -57.4 | 112.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | C2 S6 | C2-A4 PolarHBondContact O-N 3.08Å; A4-S6 PolarHBondContact O-N 2.76Å | ||
| 5 | L | 45 | Very low | 50.3 | Low | 50 Ų | 50 | 98 Ų | 98 | 26% | 0.262 | 58% | 0.576 | S | S | . | * | trans | -68.8 | 120.6 | 176.4 | -73.6 | 165.2 | 0 | 0 | 0 | 108.4 | T3 Q19 W23 | T3-L5 PolarHBondContact O-N 2.74Å; L5-Q19 HydrophobicContact CD1-CG 3.88Å; L5-W23 HydrophobicContact CD1-CB 4.02Å | ||
| 6 | S | 43.5 | Very low | 52.1 | Low | 64 Ų | 64 | 96.2 Ų | 96.2 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | trans | -64.4 | 133.8 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | A4 K8 A9 | A4-S6 PolarHBondContact O-N 2.76Å; S6-K8 PolarHBondContact O-N 3.23Å; S6-A9 WeakPolarHBondContact O-CB 3.48Å; S6-A9 PolarHBondContact O-N 3.37Å | ||
| 7 | P | 48.3 | Very low | 53.7 | Low | 71 Ų | 71 | 97.2 Ų | 97.2 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -17.4 | 176.5 | -24.4 | 32.4 | 0 | 0 | 0 | 114.2 | A30 | P7-A30 HydrophobicContact CB-CB 3.95Å; P7-A30 HydrophobicContact CG-CB 4.25Å |
| 8 | K | 45.4 | Very low | 55.2 | Low | 189 Ų | 189 | 98.9 Ų | 98.9 | 82% | 0.822 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -5.7 | -179.7 | -64.1 | -173.3 | 177.4 | -174.5 | 0 | 114.3 | S6 | S6-K8 PolarHBondContact O-N 3.23Š|
| 9 | A | 53.7 | Low | 56.4 | Low | 46 Ų | 46 | 97.4 Ų | 97.4 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -81.8 | 152.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S6 G11 | S6-A9 WeakPolarHBondContact O-CB 3.48Å; S6-A9 PolarHBondContact O-N 3.37Å; A9-G11 PolarHBondContact O-N 3.37Å |
| 10 | R | 61.6 | Low | 57.3 | Low | 186 Ų | 186 | 95.6 Ų | 95.6 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 136.5 | 166.9 | -84.5 | -174.3 | -176.4 | 175.7 | 3.5 | 109.2 | ||
| 11 | G | 59 | Low | 58.2 | Low | 31 Ų | 31 | 94.5 Ų | 94.5 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 148.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A9 W23 | A9-G11 PolarHBondContact O-N 3.37Å; G11-W23 VanDerWaalsContact CA-CE2 3.43Å |
| 12 | P | 68.3 | Low | 60.6 | Low | 15 Ų | 15 | 86.9 Ų | 86.9 | 10% | 0.097 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 155.1 | 175.7 | 29.7 | -35.2 | 0 | 0 | 0 | 110.3 | Q19 Y20 W23 | P12-Q19 HydrophobicContact CB-CB 4.39Å; P12-Q19 HydrophobicContact CB-CG 3.82Å; P12-Q19 HydrophobicContact CG-CB 4.47Å; P12-Q19 HydrophobicContact CG-CG 4.02Å; P12-Y20 HydrophobicContact CG-CD2 4.3Å; P12-W23 HydrophobicContact CG-CB 3.86Å; P12-W23 HydrophobicContact CG-CG 4.19Å |
| 13 | G | 63 | Low | 62.9 | Low | 26 Ų | 26 | 82.1 Ų | 82.1 | 27% | 0.268 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -63 | 152.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S15 D16 | G13-S15 PolarHBondContact O-N 3.05Å; G13-D16 PolarHBondContact O-N 3.34Å |
| 14 | L | 65.5 | Low | 64.9 | Low | 90 Ų | 90 | 79 Ų | 79 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 0.6 | 176.1 | -67.3 | 170.5 | 0 | 0 | 0 | 113.7 | D16 M17 Y20 V278 | L14-D16 VanDerWaalsContact C-N 3.25Å; L14-D16 PolarHBondContact O-N 3.39Å; L14-M17 HydrophobicContact CB-CE 3.98Å; L14-M17 HydrophobicContact CD2-CE 3.69Å; L14-M17 HydrophobicContact CG-CE 4.46Å; L14-M17 WeakPolarHBondContact O-CE 3.44Å; L14-Y20 HydrophobicContact CD2-CD1 4.23Å; L14-Y20 HydrophobicContact CD2-CD2 4.05Å; L14-Y20 HydrophobicContact CD2-CE1 4.14Å; L14-Y20 HydrophobicContact CD2-CE2 3.99Å; L14-Y20 HydrophobicContact CD2-CG 4.18Å; L14-V278 HydrophobicContact CB-CG1 4.06Å; L14-V278 HydrophobicContact CD1-CB 4.46Å; L14-V278 HydrophobicContact CD1-CG1 4.19Å; L14-V278 HydrophobicContact CD1-CG2 4.06Å; L14-V278 HydrophobicContact CG-CB 4.44Å; L14-V278 HydrophobicContact CG-CG1 3.91Å; L14-V278 HydrophobicContact CG-CG2 3.88Å |
| 15 | S | 71.9 | Confident | 66.6 | Low | 120 Ų | 120 | 76.8 Ų | 76.8 | 84% | 0.839 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.8 | 175.2 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | G13 | G13-S15 PolarHBondContact O-N 3.05Š|
| 16 | D | 79.1 | Confident | 68.1 | Low | 69 Ų | 69 | 76.1 Ų | 76.1 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | trans | -123.8 | 100.1 | 174.2 | -174.3 | -16.4 | 0 | 0 | 0 | 110.4 | G13 L14 H18 Q19 Y20 | G13-D16 PolarHBondContact O-N 3.34Å; L14-D16 VanDerWaalsContact C-N 3.25Å; L14-D16 PolarHBondContact O-N 3.39Å; D16-H18 VanDerWaalsContact C-N 3.28Å; D16-H18 PolarHBondContact O-N 2.76Å; D16-H18 WeakPolarHBondContact OD1-CB 3.2Å; D16-H18 PolarHBondContact OD1-N 3.31Å; D16-Q19 HydrophobicContact CB-CB 3.87Å; D16-Q19 PolarHBondContact O-N 3.3Å; D16-Q19 PolarHBondContact OD1-N 3.3Å; D16-Y20 WeakPolarHBondContact O-CB 3.34Å; D16-Y20 PolarHBondContact O-N 2.98Å | ||
| 17 | M | 79.9 | Confident | 69.7 | Low | 113 Ų | 113 | 75.1 Ų | 75.1 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.5 | -31.5 | 178.9 | -70.7 | -69.9 | 86.7 | 0 | 0 | 113.1 | L14 S21 | L14-M17 HydrophobicContact CB-CE 3.98Å; L14-M17 HydrophobicContact CD2-CE 3.69Å; L14-M17 HydrophobicContact CG-CE 4.46Å; L14-M17 WeakPolarHBondContact O-CE 3.44Å; M17-S21 VanDerWaalsContact O-CB 3.31Å; M17-S21 WeakPolarHBondContact O-CB 3.17Å; M17-S21 PolarHBondContact O-N 2.72Å |
| 18 | H | 79.6 | Confident | 71.2 | Confident | 128 Ų | 128 | 77.4 Ų | 77.4 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -72 | -45.3 | 179.4 | -173.8 | 64.9 | 0 | 0 | 0 | 110.5 | D16 Y20 S21 Q22 | D16-H18 VanDerWaalsContact C-N 3.28Å; D16-H18 PolarHBondContact O-N 2.76Å; D16-H18 WeakPolarHBondContact OD1-CB 3.2Å; D16-H18 PolarHBondContact OD1-N 3.31Å; H18-Y20 VanDerWaalsContact C-N 3.34Å; H18-Y20 PolarHBondContact O-N 2.81Å; H18-S21 PolarHBondContact O-N 3.26Å; H18-Q22 PolarHBondContact CD2-NE2 2.9Å; H18-Q22 VanDerWaalsContact CD2-NE2 3.29Å; H18-Q22 PolarHBondContact NE2-NE2 2.83Å; H18-Q22 WeakPolarHBondContact O-CG 3.42Å; H18-Q22 PolarHBondContact O-N 2.95Å |
| 19 | Q | 78.6 | Confident | 72.8 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 33% | 0.327 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.2 | -165.7 | -178 | 34.3 | 0 | 0 | 111.8 | L5 P12 D16 Q22 W23 | L5-Q19 HydrophobicContact CD1-CG 3.88Å; P12-Q19 HydrophobicContact CB-CB 4.39Å; P12-Q19 HydrophobicContact CB-CG 3.82Å; P12-Q19 HydrophobicContact CG-CB 4.47Å; P12-Q19 HydrophobicContact CG-CG 4.02Å; D16-Q19 HydrophobicContact CB-CB 3.87Å; D16-Q19 PolarHBondContact O-N 3.3Å; D16-Q19 PolarHBondContact OD1-N 3.3Å; Q19-Q22 PolarHBondContact O-N 3.39Å; Q19-W23 WeakPolarHBondContact O-CB 3.47Å; Q19-W23 PolarHBondContact O-N 3.08Å |
| 20 | Y | 73.6 | Confident | 74.2 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 24% | 0.243 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.2 | -172.9 | -101.3 | 0 | 0 | 0 | 112.4 | P12 L14 D16 H18 Q22 W23 L24 | P12-Y20 HydrophobicContact CG-CD2 4.3Å; L14-Y20 HydrophobicContact CD2-CD1 4.23Å; L14-Y20 HydrophobicContact CD2-CD2 4.05Å; L14-Y20 HydrophobicContact CD2-CE1 4.14Å; L14-Y20 HydrophobicContact CD2-CE2 3.99Å; L14-Y20 HydrophobicContact CD2-CG 4.18Å; D16-Y20 WeakPolarHBondContact O-CB 3.34Å; D16-Y20 PolarHBondContact O-N 2.98Å; H18-Y20 VanDerWaalsContact C-N 3.34Å; H18-Y20 PolarHBondContact O-N 2.81Å; Y20-Q22 PolarHBondContact O-N 3.36Å; Y20-W23 HydrophobicContact CD2-CE3 4.41Å; Y20-W23 HydrophobicContact CE2-CE3 4.2Å; Y20-W23 HydrophobicContact CE2-CZ3 4.19Å; Y20-W23 PolarHBondContact O-N 3.48Å; Y20-L24 HydrophobicContact CD1-CD1 3.77Å; Y20-L24 HydrophobicContact CD1-CG 4.32Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 3.98Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.2Å |
| 21 | S | 77 | Confident | 75.3 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | M17 H18 L24 A25 | M17-S21 VanDerWaalsContact O-CB 3.31Å; M17-S21 WeakPolarHBondContact O-CB 3.17Å; M17-S21 PolarHBondContact O-N 2.72Å; H18-S21 PolarHBondContact O-N 3.26Å; S21-L24 PolarHBondContact O-N 3.38Å; S21-A25 WeakPolarHBondContact O-CB 3.29Å; S21-A25 PolarHBondContact O-N 3.07Å |
| 22 | Q | 77.4 | Confident | 76.8 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 176.6 | -71.4 | -176 | 13.5 | 0 | 0 | 111.9 | H18 Q19 Y20 A25 S26 | H18-Q22 PolarHBondContact CD2-NE2 2.9Å; H18-Q22 VanDerWaalsContact CD2-NE2 3.29Å; H18-Q22 PolarHBondContact NE2-NE2 2.83Å; H18-Q22 WeakPolarHBondContact O-CG 3.42Å; H18-Q22 PolarHBondContact O-N 2.95Å; Q19-Q22 PolarHBondContact O-N 3.39Å; Y20-Q22 PolarHBondContact O-N 3.36Å; Q22-A25 PolarHBondContact O-N 2.71Å; Q22-S26 WeakPolarHBondContact O-CB 3.29Å; Q22-S26 PolarHBondContact O-N 3.43Å |
| 23 | W | 77.4 | Confident | 78.1 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 6% | 0.064 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.4 | 177.7 | 80.5 | 0 | 0 | 0 | 112 | L5 G11 P12 Q19 Y20 S26 R27 | L5-W23 HydrophobicContact CD1-CB 4.02Å; G11-W23 VanDerWaalsContact CA-CE2 3.43Å; P12-W23 HydrophobicContact CG-CB 3.86Å; P12-W23 HydrophobicContact CG-CG 4.19Å; Q19-W23 WeakPolarHBondContact O-CB 3.47Å; Q19-W23 PolarHBondContact O-N 3.08Å; Y20-W23 HydrophobicContact CD2-CE3 4.41Å; Y20-W23 HydrophobicContact CE2-CE3 4.2Å; Y20-W23 HydrophobicContact CE2-CZ3 4.19Å; Y20-W23 PolarHBondContact O-N 3.48Å; W23-S26 PolarHBondContact O-N 3.15Å; W23-R27 WeakPolarHBondContact O-CB 3.48Å; W23-R27 PolarHBondContact O-N 3.29Å |
| 24 | L | 75.2 | Confident | 79.7 | Confident | 55 Ų | 55 | 66.7 Ų | 66.7 | 29% | 0.288 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 174.7 | -79.1 | 174.9 | 0 | 0 | 0 | 111.4 | Y20 S21 S26 R27 H28 | Y20-L24 HydrophobicContact CD1-CD1 3.77Å; Y20-L24 HydrophobicContact CD1-CG 4.32Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 3.98Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.2Å; S21-L24 PolarHBondContact O-N 3.38Å; L24-S26 PolarHBondContact O-N 2.84Å; L24-R27 PolarHBondContact O-N 3.28Å; L24-H28 PolarHBondContact O-CD2 3.07Å; L24-H28 PolarHBondContact O-N 3.07Å |
| 25 | A | 74.8 | Confident | 81.2 | Confident | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S21 Q22 R27 H28 E29 | S21-A25 WeakPolarHBondContact O-CB 3.29Å; S21-A25 PolarHBondContact O-N 3.07Å; Q22-A25 PolarHBondContact O-N 2.71Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 3.07Å; A25-H28 PolarHBondContact O-N 3.48Å; A25-E29 WeakPolarHBondContact O-CB 3.23Å; A25-E29 PolarHBondContact O-N 3Å |
| 26 | S | 77.3 | Confident | 82.4 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | Q22 W23 L24 E29 A30 | Q22-S26 WeakPolarHBondContact O-CB 3.29Å; Q22-S26 PolarHBondContact O-N 3.43Å; W23-S26 PolarHBondContact O-N 3.15Å; L24-S26 PolarHBondContact O-N 2.84Å; S26-E29 PolarHBondContact O-N 2.56Å; S26-A30 WeakPolarHBondContact O-CB 3.49Å; S26-A30 PolarHBondContact O-N 2.96Å |
| 27 | R | 77.5 | Confident | 83.3 | Confident | 44 Ų | 44 | 56 Ų | 56 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 177.1 | -176.8 | -179.3 | 163.9 | 81.8 | 1.9 | 112.2 | W23 L24 A25 E29 A30 N31 L265 | W23-R27 WeakPolarHBondContact O-CB 3.48Å; W23-R27 PolarHBondContact O-N 3.29Å; L24-R27 PolarHBondContact O-N 3.28Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 3.07Å; R27-E29 VanDerWaalsContact C-N 3.32Å; R27-A30 PolarHBondContact O-N 3.48Å; R27-N31 PolarHBondContact O-N 3.47Å; R27-N31 VanDerWaalsContact O-N 3.13Å; R27-N31 PolarHBondContact O-ND2 3.35Å; R27-N31 VanDerWaalsContact O-ND2 3.15Å; R27-L265 VanDerWaalsContact NH1-CD1 3.29Å |
| 28 | H | 78.9 | Confident | 84.2 | Confident | 119 Ų | 119 | 50.8 Ų | 50.8 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 174.5 | -77.8 | -67.5 | 0 | 0 | 0 | 111.2 | L24 A25 N31 L32 | L24-H28 PolarHBondContact O-CD2 3.07Å; L24-H28 PolarHBondContact O-N 3.07Å; A25-H28 PolarHBondContact O-N 3.48Å; H28-N31 PolarHBondContact O-N 3.48Å; H28-L32 WeakPolarHBondContact O-CG 3.44Å; H28-L32 PolarHBondContact O-N 3.4Å |
| 29 | E | 80.3 | Confident | 85.1 | Confident | 108 Ų | 108 | 44.7 Ų | 44.7 | 51% | 0.505 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.4 | 176.6 | 160.1 | -137.4 | 0 | 0 | 112.7 | A25 S26 R27 N31 L32 L33 K36 | A25-E29 WeakPolarHBondContact O-CB 3.23Å; A25-E29 PolarHBondContact O-N 3Å; S26-E29 PolarHBondContact O-N 2.56Å; R27-E29 VanDerWaalsContact C-N 3.32Å; E29-N31 PolarHBondContact O-N 3.45Å; E29-L32 WeakPolarHBondContact O-CA 3.05Å; E29-L32 PolarHBondContact O-N 3.17Å; E29-L33 PolarHBondContact O-N 2.88Å; E29-K36 IonicContact OE1-NZ 2.64Å; E29-K36 PolarHBondContact OE1-NZ 3.14Å |
| 30 | A | 81.8 | Confident | 86 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.7 | -33.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P7 S26 R27 L32 L33 | P7-A30 HydrophobicContact CB-CB 3.95Å; P7-A30 HydrophobicContact CG-CB 4.25Å; S26-A30 WeakPolarHBondContact O-CB 3.49Å; S26-A30 PolarHBondContact O-N 2.96Å; R27-A30 PolarHBondContact O-N 3.48Å; A30-L32 VanDerWaalsContact C-N 3.3Å; A30-L32 PolarHBondContact O-N 3.49Å; A30-L33 WeakPolarHBondContact O-CB 3.41Å; A30-L33 PolarHBondContact O-N 3Å |
| 31 | N | 84.9 | Confident | 87.2 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71 | -25.1 | 175 | -71.5 | -34.2 | 0 | 0 | 0 | 113.2 | R27 H28 E29 | R27-N31 PolarHBondContact O-N 3.47Å; R27-N31 VanDerWaalsContact O-N 3.13Å; R27-N31 PolarHBondContact O-ND2 3.35Å; R27-N31 VanDerWaalsContact O-ND2 3.15Å; H28-N31 PolarHBondContact O-N 3.48Å; E29-N31 PolarHBondContact O-N 3.45Å |
| 32 | L | 91.8 | Very high | 88.3 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -87.6 | -17.8 | 177.6 | -66.9 | 174.7 | 0 | 0 | 0 | 113.1 | H28 E29 A30 P34 M35 K36 P142 R143 | H28-L32 WeakPolarHBondContact O-CG 3.44Å; H28-L32 PolarHBondContact O-N 3.4Å; E29-L32 WeakPolarHBondContact O-CA 3.05Å; E29-L32 PolarHBondContact O-N 3.17Å; A30-L32 VanDerWaalsContact C-N 3.3Å; A30-L32 PolarHBondContact O-N 3.49Å; L32-P34 VanDerWaalsContact C-CD 3.41Å; L32-P34 VanDerWaalsContact C-N 3.35Å; L32-M35 HydrophobicContact CD2-SD 4Å; L32-M35 WeakPolarHBondContact O-CA 3.46Å; L32-M35 WeakPolarHBondContact O-CB 3.3Å; L32-M35 PolarHBondContact O-N 3.05Å; L32-K36 PolarHBondContact O-N 3.49Å; L32-P142 HydrophobicContact CD1-CB 4.02Å; L32-P142 HydrophobicContact CD1-CG 3.93Å; L32-R143 HydrophobicContact CD1-CB 3.98Å; L32-R143 HydrophobicContact CD2-CB 3.83Å; L32-R143 HydrophobicContact CD2-CG 3.88Å |
| 33 | L | 95.1 | Very high | 89.3 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -48.6 | -46.3 | -177.2 | -178.8 | 65 | 0 | 0 | 0 | 113.9 | E29 A30 M35 K36 E37 A53 | E29-L33 PolarHBondContact O-N 2.88Å; A30-L33 WeakPolarHBondContact O-CB 3.41Å; A30-L33 PolarHBondContact O-N 3Å; L33-M35 VanDerWaalsContact C-N 3.31Å; L33-M35 PolarHBondContact O-N 3.37Å; L33-K36 PolarHBondContact O-N 2.86Å; L33-E37 HydrophobicContact CD1-CG 4.15Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 3.35Å; L33-A53 HydrophobicContact CD1-CB 3.73Å |
| 34 | P | 96.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 178 | -18.3 | 29 | 0 | 0 | 0 | 113.2 | L32 D38 L244 H248 M250 T259 | L32-P34 VanDerWaalsContact C-CD 3.41Å; L32-P34 VanDerWaalsContact C-N 3.35Å; P34-D38 WeakPolarHBondContact O-CB 3.48Å; P34-D38 PolarHBondContact O-N 3.43Å; P34-D38 VanDerWaalsContact O-N 3.07Å; P34-L244 HydrophobicContact CB-CD2 4.09Å; P34-H248 HydrophobicContact CB-CB 3.95Å; P34-H248 HydrophobicContact CG-CB 4.15Å; P34-M250 HydrophobicContact CB-CE 4.02Å; P34-M250 HydrophobicContact CB-SD 3.69Å; P34-M250 HydrophobicContact CG-CE 4.38Å; P34-M250 HydrophobicContact CG-SD 3.94Å; P34-T259 HydrophobicContact CG-CG2 3.59Å |
| 35 | M | 96.4 | Very high | 91.3 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.3 | -42.3 | 178 | -60.9 | 171.3 | 74.5 | 0 | 0 | 110.8 | L32 L33 D38 L39 C146 L147 L150 L166 | L32-M35 HydrophobicContact CD2-SD 4Å; L32-M35 WeakPolarHBondContact O-CA 3.46Å; L32-M35 WeakPolarHBondContact O-CB 3.3Å; L32-M35 PolarHBondContact O-N 3.05Å; L33-M35 VanDerWaalsContact C-N 3.31Å; L33-M35 PolarHBondContact O-N 3.37Å; M35-D38 PolarHBondContact O-N 3.24Å; M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 VanDerWaalsContact O-CG 3.31Å; M35-L39 WeakPolarHBondContact O-CG 3.32Å; M35-L39 PolarHBondContact O-N 3.36Å; M35-C146 HydrophobicContact CB-CB 4.24Å; M35-C146 HydrophobicContact CE-CB 3.84Å; M35-L147 HydrophobicContact CE-CD2 3.7Å; M35-L147 HydrophobicContact CE-CG 4.28Å; M35-L150 HydrophobicContact CE-CD1 3.34Å; M35-L166 HydrophobicContact CB-CD1 4.38Å; M35-L166 HydrophobicContact CG-CD1 3.91Å |
| 36 | K | 97.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.3 | -71.5 | -175.5 | 178.1 | -177.3 | 0 | 111 | E29 L32 L33 D38 A40 A53 F56 | E29-K36 IonicContact OE1-NZ 2.64Å; E29-K36 PolarHBondContact OE1-NZ 3.14Å; L32-K36 PolarHBondContact O-N 3.49Å; L33-K36 PolarHBondContact O-N 2.86Å; K36-D38 PolarHBondContact O-N 3.15Å; K36-A40 WeakPolarHBondContact O-CB 3.24Å; K36-A40 PolarHBondContact O-N 3.29Å; K36-A53 HydrophobicContact CB-CB 3.9Å; K36-F56 HydrophobicContact CB-CG 4.43Å; K36-F56 HydrophobicContact CG-CD1 4.15Å; K36-F56 HydrophobicContact CG-CG 4.39Å |
| 37 | E | 98.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.6 | -75.3 | -178.8 | -168.8 | 0 | 0 | 112.1 | L33 L41 A53 K247 H248 | L33-E37 HydrophobicContact CD1-CG 4.15Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 3.35Å; E37-L41 PolarHBondContact O-N 2.93Å; E37-L41 VanDerWaalsContact O-N 3.11Å; E37-A53 HydrophobicContact CB-CB 4.3Å; E37-A53 HydrophobicContact CG-CB 3.43Å; E37-A53 VanDerWaalsContact CG-CB 3.43Å; E37-K247 IonicContact OE1-NZ 2.89Å; E37-K247 PolarHBondContact OE1-NZ 3.42Å; E37-K247 IonicContact OE2-NZ 3.43Å; E37-K247 PolarHBondContact OE2-NZ 2.85Å; E37-H248 IonicContact OE1-NE2 2.73Å; E37-H248 IonicContact OE2-CD2 3.94Å; E37-H248 IonicContact OE2-CE1 2.6Å; E37-H248 IonicContact OE2-NE2 2.67Å; E37-H248 PolarHBondContact OE2-NE2 3.42Å |
| 38 | D | 98.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -48.1 | 178.7 | -170.7 | 41.6 | 0 | 0 | 0 | 112.8 | P34 M35 K36 L41 W42 P164 G165 L166 L244 H245 | P34-D38 WeakPolarHBondContact O-CB 3.48Å; P34-D38 PolarHBondContact O-N 3.43Å; P34-D38 VanDerWaalsContact O-N 3.07Å; M35-D38 PolarHBondContact O-N 3.24Å; K36-D38 PolarHBondContact O-N 3.15Å; D38-L41 PolarHBondContact O-N 2.79Å; D38-W42 WeakPolarHBondContact O-CB 3.46Å; D38-W42 PolarHBondContact O-N 3.42Å; D38-P164 WeakPolarHBondContact OD2-CB 3.23Å; D38-G165 VanDerWaalsContact CG-N 3.34Å; D38-G165 WeakPolarHBondContact OD1-CA 3.49Å; D38-G165 PolarHBondContact OD1-N 3.1Å; D38-G165 PolarHBondContact OD2-N 3.03Å; D38-G165 VanDerWaalsContact OD2-N 3.12Å; D38-L166 HydrophobicContact CB-CD1 4.36Å; D38-L166 HydrophobicContact CB-CG 4.46Å; D38-L166 WeakPolarHBondContact OD2-CB 3.26Å; D38-L166 WeakPolarHBondContact OD2-CG 3.36Å; D38-L166 PolarHBondContact OD2-N 3.39Å; D38-L244 HydrophobicContact CB-CD2 4.23Å; D38-H245 IonicContact OD1-CE1 2.58Å; D38-H245 PolarHBondContact OD1-CE1 3.01Å; D38-H245 IonicContact OD1-NE2 3.05Å; D38-H245 PolarHBondContact OD1-NE2 3.04Å |
| 39 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -38 | 177.8 | -69.9 | 170.3 | 0 | 0 | 0 | 112.1 | M35 L41 W42 L43 F56 C146 L149 L150 P164 | M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 VanDerWaalsContact O-CG 3.31Å; M35-L39 WeakPolarHBondContact O-CG 3.32Å; M35-L39 PolarHBondContact O-N 3.36Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.06Å; L39-W42 HydrophobicContact CD2-CE3 4.14Å; L39-W42 PolarHBondContact O-N 3.37Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 3.5Å; L39-F56 HydrophobicContact CB-CE2 3.63Å; L39-F56 HydrophobicContact CB-CZ 3.83Å; L39-F56 HydrophobicContact CD1-CZ 4.1Å; L39-C146 HydrophobicContact CD1-CB 3.68Å; L39-C146 WeakPolarHBondContact CD1-O 3.39Å; L39-L149 HydrophobicContact CD1-CB 4.02Å; L39-L149 HydrophobicContact CD1-CD1 4.39Å; L39-L149 HydrophobicContact CD2-CB 3.79Å; L39-L150 HydrophobicContact CD1-CG 4.33Å; L39-L150 HydrophobicContact CD2-CD2 3.96Å; L39-L150 HydrophobicContact CD2-CG 4.11Å; L39-L150 HydrophobicContact CG-CD2 4.39Å; L39-L150 HydrophobicContact CG-CG 4.44Å; L39-P164 HydrophobicContact CD2-CB 4.48Å; L39-P164 HydrophobicContact CD2-CG 4.05Å |
| 40 | A | 98.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K36 T44 I51 F56 | K36-A40 WeakPolarHBondContact O-CB 3.24Å; K36-A40 PolarHBondContact O-N 3.29Å; A40-T44 VanDerWaalsContact O-CB 3.26Å; A40-T44 WeakPolarHBondContact O-CB 3.24Å; A40-T44 PolarHBondContact O-N 3.29Å; A40-T44 PolarHBondContact O-OG1 2.83Å; A40-I51 HydrophobicContact CB-CB 4.42Å; A40-I51 HydrophobicContact CB-CG2 3.94Å; A40-F56 HydrophobicContact CB-CD2 4.01Å |
| 41 | L | 98.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 42% | 0.424 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -46 | 174.8 | -178.8 | 62.4 | 0 | 0 | 0 | 111.4 | E37 D38 L39 T44 N45 | E37-L41 PolarHBondContact O-N 2.93Å; E37-L41 VanDerWaalsContact O-N 3.11Å; D38-L41 PolarHBondContact O-N 2.79Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.06Å; L41-T44 PolarHBondContact O-N 3.01Å; L41-N45 PolarHBondContact O-N 2.93Å; L41-N45 PolarHBondContact O-ND2 3.21Å |
| 42 | W | 98.6 | Very high | 97.2 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 179.3 | -179.2 | 65.8 | 0 | 0 | 0 | 112.7 | D38 L39 N45 L46 L69 L73 E162 P164 | D38-W42 WeakPolarHBondContact O-CB 3.46Å; D38-W42 PolarHBondContact O-N 3.42Å; L39-W42 HydrophobicContact CD2-CE3 4.14Å; L39-W42 PolarHBondContact O-N 3.37Å; W42-N45 PolarHBondContact O-N 3.34Å; W42-L46 HydrophobicContact CD2-CD1 3.87Å; W42-L46 HydrophobicContact CE3-CD1 4.4Å; W42-L46 HydrophobicContact CG-CD1 4.42Å; W42-L46 HydrophobicContact CH2-CD1 4.05Å; W42-L46 HydrophobicContact CZ2-CD1 3.44Å; W42-L46 VanDerWaalsContact CZ2-CD1 3.44Å; W42-L46 HydrophobicContact CZ3-CD1 4.49Å; W42-L46 WeakPolarHBondContact O-CG 3.41Å; W42-L46 PolarHBondContact O-N 3.1Å; W42-L69 HydrophobicContact CH2-CD1 4.47Å; W42-L69 HydrophobicContact CZ3-CD2 4.4Å; W42-L73 HydrophobicContact CH2-CD1 4.4Å; W42-E162 PolarHBondContact NE1-O 2.81Å; W42-P164 HydrophobicContact CB-CB 4.33Å; W42-P164 HydrophobicContact CB-CG 4.15Å; W42-P164 HydrophobicContact CD2-CG 3.65Å; W42-P164 HydrophobicContact CE3-CG 4.02Å; W42-P164 HydrophobicContact CG-CB 4.32Å; W42-P164 HydrophobicContact CG-CG 3.7Å |
| 43 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.1 | -67.4 | 177.5 | 0 | 0 | 0 | 111.6 | L39 N45 L46 L47 I51 F56 L60 L69 L149 | L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 3.5Å; L43-N45 VanDerWaalsContact C-N 3.32Å; L43-N45 PolarHBondContact O-N 2.95Å; L43-L46 PolarHBondContact O-N 3.47Å; L43-L47 HydrophobicContact CB-CD1 4.47Å; L43-L47 VanDerWaalsContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CB 3.45Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.46Å; L43-I51 HydrophobicContact CB-CD1 3.58Å; L43-I51 HydrophobicContact CD1-CD1 4.17Å; L43-F56 HydrophobicContact CD1-CE2 3.78Å; L43-F56 HydrophobicContact CD1-CZ 4.32Å; L43-L60 HydrophobicContact CD1-CD1 4.19Å; L43-L60 HydrophobicContact CD1-CD2 4.12Å; L43-L69 HydrophobicContact CD2-CD1 3.8Å; L43-L69 HydrophobicContact CD2-CD2 3.54Å; L43-L69 HydrophobicContact CD2-CG 4.2Å; L43-L149 HydrophobicContact CD1-CD1 4.33Å |
| 44 | T | 98.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 20% | 0.202 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 176.7 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | A40 L41 L46 G48 R49 I51 | A40-T44 VanDerWaalsContact O-CB 3.26Å; A40-T44 WeakPolarHBondContact O-CB 3.24Å; A40-T44 PolarHBondContact O-N 3.29Å; A40-T44 PolarHBondContact O-OG1 2.83Å; L41-T44 PolarHBondContact O-N 3.01Å; T44-L46 VanDerWaalsContact C-N 3.35Å; T44-L46 PolarHBondContact O-N 3.34Å; T44-G48 WeakPolarHBondContact O-CA 3.42Å; T44-G48 PolarHBondContact O-N 3.12Å; T44-R49 VanDerWaalsContact CA-O 3.29Å; T44-R49 WeakPolarHBondContact CA-O 3.28Å; T44-R49 PolarHBondContact OG1-O 3.21Å; T44-I51 PolarHBondContact OG1-N 3.44Å; T44-I51 PolarHBondContact OG1-O 3.14Å |
| 45 | N | 97.7 | Very high | 97.4 | Very high | 118 Ų | 118 | 45.8 Ų | 45.8 | 63% | 0.631 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.9 | -36.2 | 179.3 | -68.3 | -22.8 | 0 | 0 | 0 | 112.6 | L41 W42 L43 | L41-N45 PolarHBondContact O-N 2.93Å; L41-N45 PolarHBondContact O-ND2 3.21Å; W42-N45 PolarHBondContact O-N 3.34Å; L43-N45 VanDerWaalsContact C-N 3.32Å; L43-N45 PolarHBondContact O-N 2.95Å |
| 46 | L | 97.1 | Very high | 97.5 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.8 | -37.5 | 179.3 | -75.8 | 179 | 0 | 0 | 0 | 113.5 | W42 L43 T44 L69 L73 K76 V161 | W42-L46 HydrophobicContact CD2-CD1 3.87Å; W42-L46 HydrophobicContact CE3-CD1 4.4Å; W42-L46 HydrophobicContact CG-CD1 4.42Å; W42-L46 HydrophobicContact CH2-CD1 4.05Å; W42-L46 HydrophobicContact CZ2-CD1 3.44Å; W42-L46 VanDerWaalsContact CZ2-CD1 3.44Å; W42-L46 HydrophobicContact CZ3-CD1 4.49Å; W42-L46 WeakPolarHBondContact O-CG 3.41Å; W42-L46 PolarHBondContact O-N 3.1Å; L43-L46 PolarHBondContact O-N 3.47Å; T44-L46 VanDerWaalsContact C-N 3.35Å; T44-L46 PolarHBondContact O-N 3.34Å; L46-L69 HydrophobicContact CD1-CD1 3.85Å; L46-L73 HydrophobicContact CD1-CD2 4.2Å; L46-K76 HydrophobicContact CD2-CD 4.5Å; L46-V161 HydrophobicContact CD2-CG1 3.91Å |
| 47 | L | 97.1 | Very high | 97.5 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -99.8 | -12.6 | -171 | -60.5 | 178.6 | 0 | 0 | 0 | 113.5 | L43 R49 I51 L65 R68 L69 | L43-L47 HydrophobicContact CB-CD1 4.47Å; L43-L47 VanDerWaalsContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CB 3.45Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.46Å; L47-R49 PolarHBondContact O-N 3.27Å; L47-I51 HydrophobicContact CD1-CD1 4.48Å; L47-L65 HydrophobicContact CD1-CB 4.4Å; L47-L65 HydrophobicContact CD1-CD2 4.46Å; L47-R68 HydrophobicContact CD2-CB 4.45Å; L47-R68 HydrophobicContact CD2-CG 4.01Å; L47-L69 HydrophobicContact CD2-CB 4.25Å |
| 48 | G | 96 | Very high | 97.4 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 75% | 0.753 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 24.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T44 | T44-G48 WeakPolarHBondContact O-CA 3.42Å; T44-G48 PolarHBondContact O-N 3.12Å |
| 49 | R | 94.9 | Very high | 97.4 | Very high | 157 Ų | 157 | 52.8 Ų | 52.8 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -125.5 | 126.7 | 179.9 | -68.4 | -177.6 | -179.4 | -81 | -1 | 109 | T44 L47 I51 | T44-R49 VanDerWaalsContact CA-O 3.29Å; T44-R49 WeakPolarHBondContact CA-O 3.28Å; T44-R49 PolarHBondContact OG1-O 3.21Å; L47-R49 PolarHBondContact O-N 3.27Å; R49-I51 PolarHBondContact O-N 3.13Å |
| 50 | E | 97.2 | Very high | 97.4 | Very high | 144 Ų | 144 | 52.9 Ų | 52.9 | 67% | 0.673 | 28% | 0.275 | S | S | * | . | trans | -59.4 | 124.3 | 178.1 | -174.9 | -179.7 | -159.4 | 0 | 0 | 110.6 | K59 | E50-K59 PolarHBondContact O-NZ 3.36Š| ||
| 51 | I | 98.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | trans | -131.1 | 133.3 | 171 | -59.7 | 163.2 | 0 | 0 | 0 | 106.1 | A40 L43 T44 L47 R49 F56 K59 L65 | A40-I51 HydrophobicContact CB-CB 4.42Å; A40-I51 HydrophobicContact CB-CG2 3.94Å; L43-I51 HydrophobicContact CB-CD1 3.58Å; L43-I51 HydrophobicContact CD1-CD1 4.17Å; T44-I51 PolarHBondContact OG1-N 3.44Å; T44-I51 PolarHBondContact OG1-O 3.14Å; L47-I51 HydrophobicContact CD1-CD1 4.48Å; R49-I51 PolarHBondContact O-N 3.13Å; I51-F56 HydrophobicContact CG2-CD2 3.98Å; I51-K59 HydrophobicContact CG1-CD 4.11Å; I51-L65 HydrophobicContact CD1-CD1 4.16Å | ||
| 52 | T | 97.8 | Very high | 97.3 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 26% | 0.258 | 27% | 0.267 | S | S | . | . | trans | -114.3 | 169.3 | 174.9 | 76.2 | 0 | 0 | 0 | 0 | 109.7 | E54 T55 F56 | T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 VanDerWaalsContact CB-OE2 3.22Å; T52-E54 WeakPolarHBondContact CB-OE2 3.42Å; T52-E54 PolarHBondContact O-N 3.44Å; T52-E54 PolarHBondContact OG1-N 3.24Å; T52-E54 PolarHBondContact OG1-OE2 3.43Å; T52-T55 PolarHBondContact N-OG1 3.21Å; T52-T55 VanDerWaalsContact N-OG1 3.14Å; T52-T55 PolarHBondContact O-N 3Å; T52-T55 PolarHBondContact OG1-N 3.27Å; T52-T55 PolarHBondContact OG1-OG1 2.79Å; T52-F56 WeakPolarHBondContact O-CA 3.38Å; T52-F56 WeakPolarHBondContact O-CB 3.32Å; T52-F56 PolarHBondContact O-N 3.27Å | ||
| 53 | A | 96.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -66.7 | -32.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L33 K36 E37 F56 | L33-A53 HydrophobicContact CD1-CB 3.73Å; K36-A53 HydrophobicContact CB-CB 3.9Å; E37-A53 HydrophobicContact CB-CB 4.3Å; E37-A53 HydrophobicContact CG-CB 3.43Å; E37-A53 VanDerWaalsContact CG-CB 3.43Å; A53-F56 WeakPolarHBondContact O-CB 3.42Å |
| 54 | E | 94.9 | Very high | 97.3 | Very high | 136 Ų | 136 | 51.3 Ų | 51.3 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -69.8 | -43.6 | 178 | -57.5 | 71.1 | -154.4 | 0 | 0 | 110.6 | T52 F56 | T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 VanDerWaalsContact CB-OE2 3.22Å; T52-E54 WeakPolarHBondContact CB-OE2 3.42Å; T52-E54 PolarHBondContact O-N 3.44Å; T52-E54 PolarHBondContact OG1-N 3.24Å; T52-E54 PolarHBondContact OG1-OE2 3.43Å; E54-F56 VanDerWaalsContact C-N 3.31Å |
| 55 | T | 96.4 | Very high | 97.3 | Very high | 36 Ų | 36 | 51 Ų | 51 | 22% | 0.221 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -88.7 | 2.6 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | T52 M57 E58 K59 | T52-T55 PolarHBondContact N-OG1 3.21Å; T52-T55 VanDerWaalsContact N-OG1 3.14Å; T52-T55 PolarHBondContact O-N 3Å; T52-T55 PolarHBondContact OG1-N 3.27Å; T52-T55 PolarHBondContact OG1-OG1 2.79Å; T55-M57 PolarHBondContact O-N 3Å; T55-E58 PolarHBondContact O-N 2.91Å; T55-K59 WeakPolarHBondContact O-CB 3.5Å; T55-K59 WeakPolarHBondContact O-CG 3.27Å; T55-K59 PolarHBondContact O-N 2.91Å |
| 56 | F | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -52.2 | -168.7 | -175.1 | -97.5 | 0 | 0 | 0 | 112.8 | K36 L39 A40 L43 I51 T52 A53 E54 L60 V145 L149 | K36-F56 HydrophobicContact CB-CG 4.43Å; K36-F56 HydrophobicContact CG-CD1 4.15Å; K36-F56 HydrophobicContact CG-CG 4.39Å; L39-F56 HydrophobicContact CB-CE2 3.63Å; L39-F56 HydrophobicContact CB-CZ 3.83Å; L39-F56 HydrophobicContact CD1-CZ 4.1Å; A40-F56 HydrophobicContact CB-CD2 4.01Å; L43-F56 HydrophobicContact CD1-CE2 3.78Å; L43-F56 HydrophobicContact CD1-CZ 4.32Å; I51-F56 HydrophobicContact CG2-CD2 3.98Å; T52-F56 WeakPolarHBondContact O-CA 3.38Å; T52-F56 WeakPolarHBondContact O-CB 3.32Å; T52-F56 PolarHBondContact O-N 3.27Å; A53-F56 WeakPolarHBondContact O-CB 3.42Å; E54-F56 VanDerWaalsContact C-N 3.31Å; F56-L60 HydrophobicContact CD1-CD1 4Å; F56-L60 HydrophobicContact CD2-CD1 4.3Å; F56-L60 HydrophobicContact CE1-CD1 3.62Å; F56-L60 HydrophobicContact CE2-CD1 3.95Å; F56-L60 HydrophobicContact CG-CD1 4.33Å; F56-L60 HydrophobicContact CZ-CD1 3.6Å; F56-L60 WeakPolarHBondContact O-CD1 3.45Å; F56-L60 WeakPolarHBondContact O-CG 3.44Å; F56-L60 PolarHBondContact O-N 3.29Å; F56-V145 HydrophobicContact CE1-CG1 4.2Å; F56-L149 HydrophobicContact CE1-CD1 4.46Å; F56-L149 HydrophobicContact CZ-CD1 3.73Å |
| 57 | M | 97.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.2 | -46.4 | -178.6 | -64.7 | -59.9 | -65.8 | 0 | 0 | 110.9 | T55 K59 L60 D61 L136 H139 P142 V145 | T55-M57 PolarHBondContact O-N 3Å; M57-K59 VanDerWaalsContact C-N 3.3Å; M57-K59 PolarHBondContact O-N 3.11Å; M57-L60 PolarHBondContact O-N 3.05Å; M57-L60 VanDerWaalsContact O-N 3.09Å; M57-D61 WeakPolarHBondContact O-CB 3.46Å; M57-D61 PolarHBondContact O-N 3.33Å; M57-L136 HydrophobicContact CE-CD1 3.79Å; M57-L136 HydrophobicContact SD-CD1 4.5Å; M57-H139 HydrophobicContact CE-CB 4.43Å; M57-P142 HydrophobicContact CE-CB 3.94Å; M57-P142 HydrophobicContact CG-CB 4.37Å; M57-P142 HydrophobicContact SD-CB 3.8Å; M57-V145 HydrophobicContact CE-CG2 4.4Å |
| 58 | E | 97.3 | Very high | 97.4 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 58% | 0.575 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.2 | -38.7 | -179.9 | -63.1 | 176.1 | 173.3 | 0 | 0 | 112.8 | T55 L60 D61 | T55-E58 PolarHBondContact O-N 2.91Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-D61 VanDerWaalsContact O-CG 3.3Å; E58-D61 VanDerWaalsContact O-OD1 3.06Å |
| 59 | K | 97.9 | Very high | 97.5 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.9 | -26.2 | 178.8 | -76.8 | -174.5 | 173.2 | 172.2 | 0 | 113.1 | E50 I51 T55 M57 L65 | E50-K59 PolarHBondContact O-NZ 3.36Å; I51-K59 HydrophobicContact CG1-CD 4.11Å; T55-K59 WeakPolarHBondContact O-CB 3.5Å; T55-K59 WeakPolarHBondContact O-CG 3.27Å; T55-K59 PolarHBondContact O-N 2.91Å; M57-K59 VanDerWaalsContact C-N 3.3Å; M57-K59 PolarHBondContact O-N 3.11Å; K59-L65 HydrophobicContact CB-CD1 4.05Å; K59-L65 VanDerWaalsContact O-CD1 3.3Å; K59-L65 WeakPolarHBondContact O-CD1 3.13Å |
| 60 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -92.1 | -21.9 | -177.8 | -65.9 | 175.9 | 0 | 0 | 0 | 112.9 | L43 F56 M57 E58 N62 G63 L65 L66 L136 L149 | L43-L60 HydrophobicContact CD1-CD1 4.19Å; L43-L60 HydrophobicContact CD1-CD2 4.12Å; F56-L60 HydrophobicContact CD1-CD1 4Å; F56-L60 HydrophobicContact CD2-CD1 4.3Å; F56-L60 HydrophobicContact CE1-CD1 3.62Å; F56-L60 HydrophobicContact CE2-CD1 3.95Å; F56-L60 HydrophobicContact CG-CD1 4.33Å; F56-L60 HydrophobicContact CZ-CD1 3.6Å; F56-L60 WeakPolarHBondContact O-CD1 3.45Å; F56-L60 WeakPolarHBondContact O-CG 3.44Å; F56-L60 PolarHBondContact O-N 3.29Å; M57-L60 PolarHBondContact O-N 3.05Å; M57-L60 VanDerWaalsContact O-N 3.09Å; E58-L60 VanDerWaalsContact C-N 3.35Å; L60-N62 PolarHBondContact O-N 3.27Å; L60-N62 VanDerWaalsContact O-N 3.12Å; L60-G63 WeakPolarHBondContact O-CA 3.47Å; L60-G63 PolarHBondContact O-N 2.9Å; L60-L65 HydrophobicContact CD2-CB 3.89Å; L60-L65 HydrophobicContact CD2-CD1 4.35Å; L60-L66 HydrophobicContact CD1-CD2 4.44Å; L60-L66 HydrophobicContact CD2-CD2 3.75Å; L60-L66 HydrophobicContact CD2-CG 4.15Å; L60-L136 HydrophobicContact CB-CD1 3.97Å; L60-L136 WeakPolarHBondContact O-CD2 3.37Å; L60-L149 HydrophobicContact CD1-CD1 4.31Å |
| 61 | D | 98.1 | Very high | 97.6 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.6 | -165.8 | 70.4 | 14.8 | 0 | 0 | 0 | 116.2 | M57 E58 G63 S104 V137 H139 | M57-D61 WeakPolarHBondContact O-CB 3.46Å; M57-D61 PolarHBondContact O-N 3.33Å; E58-D61 VanDerWaalsContact O-CG 3.3Å; E58-D61 VanDerWaalsContact O-OD1 3.06Å; D61-G63 VanDerWaalsContact C-N 3.3Å; D61-S104 VanDerWaalsContact OD1-CB 3.22Å; D61-S104 WeakPolarHBondContact OD1-CB 3.33Å; D61-S104 PolarHBondContact OD1-OG 3.49Å; D61-S104 PolarHBondContact OD2-OG 3Å; D61-V137 WeakPolarHBondContact O-CG2 3.37Å; D61-H139 WeakPolarHBondContact CB-NE2 3.13Å; D61-H139 IonicContact OD2-CD2 3.91Å; D61-H139 IonicContact OD2-CE1 2.7Å; D61-H139 IonicContact OD2-NE2 2.79Å; D61-H139 PolarHBondContact OD2-NE2 3.43Å |
| 62 | N | 97.9 | Very high | 97.5 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.6 | 171.2 | 76.5 | 6.7 | 0 | 0 | 0 | 113.2 | L60 A64 A102 A109 N112 | L60-N62 PolarHBondContact O-N 3.27Å; L60-N62 VanDerWaalsContact O-N 3.12Å; N62-A64 PolarHBondContact O-N 3.46Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-A64 WeakPolarHBondContact OD1-CB 3.09Å; N62-A64 PolarHBondContact OD1-N 3.24Å; N62-A102 WeakPolarHBondContact CB-O 3.43Å; N62-A109 WeakPolarHBondContact O-CA 3.4Å; N62-N112 PolarHBondContact O-ND2 3.19Å |
| 63 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 72.3 | -8.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L60 D61 L66 C67 | L60-G63 WeakPolarHBondContact O-CA 3.47Å; L60-G63 PolarHBondContact O-N 2.9Å; D61-G63 VanDerWaalsContact C-N 3.3Å; G63-L66 PolarHBondContact O-N 3.38Å; G63-C67 PolarHBondContact O-N 3.03Å; G63-C67 VanDerWaalsContact O-N 3.1Å |
| 64 | A | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 12% | 0.116 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.7 | -40.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N62 L66 C67 R68 | N62-A64 PolarHBondContact O-N 3.46Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-A64 WeakPolarHBondContact OD1-CB 3.09Å; N62-A64 PolarHBondContact OD1-N 3.24Å; A64-L66 VanDerWaalsContact C-N 3.28Å; A64-L66 PolarHBondContact O-N 3.02Å; A64-C67 PolarHBondContact O-N 3.49Å; A64-R68 PolarHBondContact O-N 2.81Å |
| 65 | L | 98.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -32.2 | 175.7 | -69.8 | -174.4 | 0 | 0 | 0 | 112.3 | L47 I51 K59 L60 R68 L69 | L47-L65 HydrophobicContact CD1-CB 4.4Å; L47-L65 HydrophobicContact CD1-CD2 4.46Å; I51-L65 HydrophobicContact CD1-CD1 4.16Å; K59-L65 HydrophobicContact CB-CD1 4.05Å; K59-L65 VanDerWaalsContact O-CD1 3.3Å; K59-L65 WeakPolarHBondContact O-CD1 3.13Å; L60-L65 HydrophobicContact CD2-CB 3.89Å; L60-L65 HydrophobicContact CD2-CD1 4.35Å; L65-R68 PolarHBondContact O-N 3.34Å; L65-L69 WeakPolarHBondContact O-CB 3.15Å; L65-L69 PolarHBondContact O-N 2.94Å |
| 66 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.8 | -44.5 | 176.5 | -65.4 | -175.9 | 0 | 0 | 0 | 111.6 | L60 G63 A64 R68 L69 A70 F116 F131 L136 L149 | L60-L66 HydrophobicContact CD1-CD2 4.44Å; L60-L66 HydrophobicContact CD2-CD2 3.75Å; L60-L66 HydrophobicContact CD2-CG 4.15Å; G63-L66 PolarHBondContact O-N 3.38Å; A64-L66 VanDerWaalsContact C-N 3.28Å; A64-L66 PolarHBondContact O-N 3.02Å; L66-R68 VanDerWaalsContact C-N 3.27Å; L66-R68 PolarHBondContact O-N 3.21Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 3.15Å; L66-A70 PolarHBondContact O-N 2.88Å; L66-F116 HydrophobicContact CB-CB 4Å; L66-F116 HydrophobicContact CB-CD1 3.89Å; L66-F116 HydrophobicContact CB-CD2 3.73Å; L66-F116 HydrophobicContact CB-CE1 4.27Å; L66-F116 HydrophobicContact CB-CE2 4.12Å; L66-F116 HydrophobicContact CB-CG 3.59Å; L66-F116 HydrophobicContact CB-CZ 4.36Å; L66-F116 HydrophobicContact CD1-CD1 3.8Å; L66-F116 HydrophobicContact CD1-CE1 4Å; L66-F116 HydrophobicContact CD1-CG 4.34Å; L66-F116 HydrophobicContact CD2-CE1 4.25Å; L66-F116 HydrophobicContact CD2-CZ 4.18Å; L66-F116 HydrophobicContact CG-CD1 4.35Å; L66-F116 HydrophobicContact CG-CE1 4.43Å; L66-F116 WeakPolarHBondContact O-CD2 3.43Å; L66-F131 HydrophobicContact CD1-CZ 3.97Å; L66-L136 HydrophobicContact CD1-CD2 3.29Å; L66-L136 HydrophobicContact CG-CD2 4.43Å; L66-L149 HydrophobicContact CD2-CD2 4.09Å |
| 67 | C | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 171.6 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | G63 A64 A70 E71 I96 C98 N112 | G63-C67 PolarHBondContact O-N 3.03Å; G63-C67 VanDerWaalsContact O-N 3.1Å; A64-C67 PolarHBondContact O-N 3.49Å; C67-A70 PolarHBondContact O-N 3.34Å; C67-E71 WeakPolarHBondContact O-CG 3.34Å; C67-E71 PolarHBondContact O-N 2.93Å; C67-I96 HydrophobicContact CB-CG2 4.06Å; C67-C98 HydrophobicContact CB-CB 3.61Å; C67-C98 WeakPolarHBondContact CB-SG 3.19Å; C67-N112 PolarHBondContact SG-O 3.48Å |
| 68 | R | 97.4 | Very high | 96.2 | Very high | 124 Ų | 124 | 36.4 Ų | 36.4 | 47% | 0.468 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 177.1 | -174.7 | 59.4 | 176 | 179.3 | 2.9 | 112.3 | L47 A64 L65 L66 A70 E71 T72 | L47-R68 HydrophobicContact CD2-CB 4.45Å; L47-R68 HydrophobicContact CD2-CG 4.01Å; A64-R68 PolarHBondContact O-N 2.81Å; L65-R68 PolarHBondContact O-N 3.34Å; L66-R68 VanDerWaalsContact C-N 3.27Å; L66-R68 PolarHBondContact O-N 3.21Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 3.01Å; R68-E71 WeakPolarHBondContact CD-OE2 3.3Å; R68-E71 IonicContact NH1-OE2 2.78Å; R68-E71 PolarHBondContact NH1-OE2 3.41Å; R68-E71 PolarHBondContact O-N 3.29Å; R68-T72 PolarHBondContact O-N 2.69Å; R68-T72 PolarHBondContact O-OG1 2.77Å; R68-T72 VanDerWaalsContact O-OG1 3.13Å |
| 69 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.1 | -46.4 | 173.4 | 174.6 | 68.1 | 0 | 0 | 0 | 111.1 | W42 L43 L46 L47 L65 L66 T72 L73 F116 L149 L152 | W42-L69 HydrophobicContact CH2-CD1 4.47Å; W42-L69 HydrophobicContact CZ3-CD2 4.4Å; L43-L69 HydrophobicContact CD2-CD1 3.8Å; L43-L69 HydrophobicContact CD2-CD2 3.54Å; L43-L69 HydrophobicContact CD2-CG 4.2Å; L46-L69 HydrophobicContact CD1-CD1 3.85Å; L47-L69 HydrophobicContact CD2-CB 4.25Å; L65-L69 WeakPolarHBondContact O-CB 3.15Å; L65-L69 PolarHBondContact O-N 2.94Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 3.15Å; L69-T72 PolarHBondContact O-N 3.44Å; L69-L73 HydrophobicContact CD1-CD1 3.94Å; L69-L73 HydrophobicContact CD1-CG 4.06Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.4Å; L69-L73 WeakPolarHBondContact O-CB 3.14Å; L69-L73 WeakPolarHBondContact O-CG 3.43Å; L69-L73 PolarHBondContact O-N 3.06Å; L69-F116 HydrophobicContact CD2-CE2 4.36Å; L69-L149 HydrophobicContact CD2-CD2 3.73Å; L69-L152 HydrophobicContact CD2-CD2 3.98Å |
| 70 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L66 C67 R68 Q74 I96 F116 W119 | L66-A70 PolarHBondContact O-N 2.88Å; C67-A70 PolarHBondContact O-N 3.34Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 3.01Å; A70-Q74 VanDerWaalsContact O-CB 3.23Å; A70-Q74 WeakPolarHBondContact O-CB 3.46Å; A70-Q74 PolarHBondContact O-N 3.38Å; A70-I96 HydrophobicContact CB-CD1 3.18Å; A70-F116 HydrophobicContact CB-CD2 3.9Å; A70-F116 HydrophobicContact CB-CE2 4.24Å; A70-W119 HydrophobicContact CB-CD2 3.45Å; A70-W119 VanDerWaalsContact CB-CD2 3.45Å; A70-W119 HydrophobicContact CB-CE3 3.29Å; A70-W119 HydrophobicContact CB-CG 4.09Å; A70-W119 HydrophobicContact CB-CH2 3.9Å; A70-W119 HydrophobicContact CB-CZ2 4.03Å; A70-W119 HydrophobicContact CB-CZ3 3.54Å; A70-W119 VanDerWaalsContact O-CZ2 3.28Å; A70-W119 WeakPolarHBondContact O-CZ2 3.47Å |
| 71 | E | 96 | Very high | 93.9 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 171.2 | -70.2 | 176.3 | 168.5 | 0 | 0 | 111.7 | C67 R68 L73 Q74 E75 I96 | C67-E71 WeakPolarHBondContact O-CG 3.34Å; C67-E71 PolarHBondContact O-N 2.93Å; R68-E71 WeakPolarHBondContact CD-OE2 3.3Å; R68-E71 IonicContact NH1-OE2 2.78Å; R68-E71 PolarHBondContact NH1-OE2 3.41Å; R68-E71 PolarHBondContact O-N 3.29Å; E71-L73 PolarHBondContact O-N 2.99Å; E71-Q74 PolarHBondContact O-N 3.24Å; E71-E75 WeakPolarHBondContact O-CG 3.36Å; E71-E75 PolarHBondContact O-N 3.38Å; E71-I96 HydrophobicContact CG-CD1 4.39Å |
| 72 | T | 96.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | -179 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | R68 L69 E75 K76 | R68-T72 PolarHBondContact O-N 2.69Å; R68-T72 PolarHBondContact O-OG1 2.77Å; R68-T72 VanDerWaalsContact O-OG1 3.13Å; L69-T72 PolarHBondContact O-N 3.44Å; T72-E75 PolarHBondContact O-N 3.1Å; T72-K76 WeakPolarHBondContact O-CG 3.44Å; T72-K76 PolarHBondContact O-N 2.81Å; T72-K76 VanDerWaalsContact O-N 3.13Å |
| 73 | L | 96 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 177 | -73.1 | 176.9 | 0 | 0 | 0 | 111.4 | W42 L46 L69 E71 E75 K76 F77 W119 L152 A156 V161 | W42-L73 HydrophobicContact CH2-CD1 4.4Å; L46-L73 HydrophobicContact CD1-CD2 4.2Å; L69-L73 HydrophobicContact CD1-CD1 3.94Å; L69-L73 HydrophobicContact CD1-CG 4.06Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.4Å; L69-L73 WeakPolarHBondContact O-CB 3.14Å; L69-L73 WeakPolarHBondContact O-CG 3.43Å; L69-L73 PolarHBondContact O-N 3.06Å; E71-L73 PolarHBondContact O-N 2.99Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.43Å; L73-K76 PolarHBondContact O-N 2.85Å; L73-F77 HydrophobicContact CB-CE1 4.18Å; L73-F77 HydrophobicContact CB-CE2 4.2Å; L73-F77 HydrophobicContact CB-CZ 3.87Å; L73-F77 HydrophobicContact CD2-CE1 4.29Å; L73-F77 HydrophobicContact CD2-CZ 4.43Å; L73-F77 WeakPolarHBondContact O-CB 3.46Å; L73-F77 WeakPolarHBondContact O-CD1 3.12Å; L73-F77 WeakPolarHBondContact O-CD2 3.4Å; L73-F77 WeakPolarHBondContact O-CG 3.32Å; L73-F77 PolarHBondContact O-N 2.88Å; L73-W119 HydrophobicContact CB-CH2 3.89Å; L73-W119 HydrophobicContact CB-CZ2 4.3Å; L73-W119 HydrophobicContact CD1-CH2 4.08Å; L73-L152 HydrophobicContact CD1-CD1 4.06Å; L73-L152 HydrophobicContact CD1-CD2 3.64Å; L73-L152 HydrophobicContact CD1-CG 3.69Å; L73-A156 HydrophobicContact CD2-CB 3.91Å; L73-V161 HydrophobicContact CD2-CG1 4.01Å; L73-V161 HydrophobicContact CD2-CG2 4.26Å |
| 74 | Q | 94 | Very high | 88.2 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 176.7 | -175.2 | 176 | -99.9 | 0 | 0 | 112.3 | A70 E71 K78 P92 V93 R94 W119 | A70-Q74 VanDerWaalsContact O-CB 3.23Å; A70-Q74 WeakPolarHBondContact O-CB 3.46Å; A70-Q74 PolarHBondContact O-N 3.38Å; E71-Q74 PolarHBondContact O-N 3.24Å; Q74-K78 WeakPolarHBondContact O-CG 3.48Å; Q74-K78 PolarHBondContact O-N 2.92Å; Q74-P92 PolarHBondContact OE1-O 2.86Å; Q74-V93 HydrophobicContact CG-CG1 4.34Å; Q74-V93 HydrophobicContact CG-CG2 4.41Å; Q74-R94 PolarHBondContact NE2-O 2.93Å; Q74-R94 PolarHBondContact OE1-O 3.4Å; Q74-W119 HydrophobicContact CB-CZ2 4.25Å |
| 75 | E | 92.6 | Very high | 86 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -50.8 | 172.9 | -72.3 | 169.1 | 174 | 0 | 0 | 111.2 | E71 T72 L73 F77 K78 E79 | E71-E75 WeakPolarHBondContact O-CG 3.36Å; E71-E75 PolarHBondContact O-N 3.38Å; T72-E75 PolarHBondContact O-N 3.1Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.43Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 3.06Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.47Å; E75-K78 VanDerWaalsContact O-N 3.07Å; E75-E79 PolarHBondContact O-N 3.38Å |
| 76 | K | 92.7 | Very high | 83.8 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -35.8 | 177.4 | -69.1 | -168.7 | 177.1 | -152.7 | 0 | 113.3 | L46 T72 L73 K78 E79 N80 V161 | L46-K76 HydrophobicContact CD2-CD 4.5Å; T72-K76 WeakPolarHBondContact O-CG 3.44Å; T72-K76 PolarHBondContact O-N 2.81Å; T72-K76 VanDerWaalsContact O-N 3.13Å; L73-K76 PolarHBondContact O-N 2.85Å; K76-K78 VanDerWaalsContact C-N 3.3Å; K76-K78 PolarHBondContact O-N 3.14Å; K76-E79 PolarHBondContact O-N 2.93Å; K76-N80 WeakPolarHBondContact O-CB 3.42Å; K76-N80 PolarHBondContact O-N 3.11Å; K76-N80 VanDerWaalsContact O-N 3.07Å; K76-N80 PolarHBondContact O-ND2 2.87Å; K76-V161 HydrophobicContact CB-CG2 3.77Å; K76-V161 HydrophobicContact CD-CG1 4.23Å; K76-V161 HydrophobicContact CD-CG2 3.85Å; K76-V161 HydrophobicContact CG-CG2 4.46Å |
| 77 | F | 91.6 | Very high | 81.3 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 4% | 0.044 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 177.2 | -63.1 | -10.6 | 0 | 0 | 0 | 111.7 | L73 E75 S81 L91 W119 V123 A156 F159 V161 | L73-F77 HydrophobicContact CB-CE1 4.18Å; L73-F77 HydrophobicContact CB-CE2 4.2Å; L73-F77 HydrophobicContact CB-CZ 3.87Å; L73-F77 HydrophobicContact CD2-CE1 4.29Å; L73-F77 HydrophobicContact CD2-CZ 4.43Å; L73-F77 WeakPolarHBondContact O-CB 3.46Å; L73-F77 WeakPolarHBondContact O-CD1 3.12Å; L73-F77 WeakPolarHBondContact O-CD2 3.4Å; L73-F77 WeakPolarHBondContact O-CG 3.32Å; L73-F77 PolarHBondContact O-N 2.88Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 3.06Å; F77-S81 WeakPolarHBondContact O-CB 3.45Å; F77-S81 PolarHBondContact O-N 3.27Å; F77-S81 VanDerWaalsContact O-N 3.15Å; F77-L91 HydrophobicContact CD2-CD1 3.37Å; F77-L91 HydrophobicContact CE2-CD1 3.71Å; F77-L91 HydrophobicContact CG-CD1 4.13Å; F77-W119 HydrophobicContact CE2-CH2 4.39Å; F77-W119 HydrophobicContact CE2-CZ2 4.33Å; F77-V123 HydrophobicContact CE2-CG1 4.4Å; F77-A156 HydrophobicContact CE1-CB 3.82Å; F77-A156 HydrophobicContact CZ-CB 3.98Å; F77-F159 HydrophobicContact CB-CD1 4.31Å; F77-F159 HydrophobicContact CB-CG 4.38Å; F77-F159 HydrophobicContact CD1-CB 3.45Å; F77-F159 VanDerWaalsContact CD1-CB 3.45Å; F77-F159 HydrophobicContact CD1-CD1 4.5Å; F77-F159 HydrophobicContact CD1-CD2 4.01Å; F77-F159 AromaticContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CE1-CB 3.95Å; F77-F159 HydrophobicContact CE1-CD2 4.1Å; F77-F159 HydrophobicContact CE1-CG 4.25Å; F77-F159 HydrophobicContact CG-CB 4.2Å; F77-F159 HydrophobicContact CG-CD1 4.45Å; F77-F159 HydrophobicContact CG-CD2 4.29Å; F77-F159 HydrophobicContact CG-CG 4.06Å; F77-F159 HydrophobicContact CZ-CD2 4.42Å; F77-V161 HydrophobicContact CD1-CG2 4.32Å; F77-V161 HydrophobicContact CE1-CG2 4.04Å |
| 78 | K | 87.8 | Confident | 79.3 | Confident | 82 Ų | 82 | 77.6 Ų | 77.6 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.2 | -52.5 | 174.4 | -66.9 | 177.8 | -146.4 | 176.1 | 0 | 111 | Q74 E75 K76 N80 S81 F82 V93 | Q74-K78 WeakPolarHBondContact O-CG 3.48Å; Q74-K78 PolarHBondContact O-N 2.92Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.47Å; E75-K78 VanDerWaalsContact O-N 3.07Å; K76-K78 VanDerWaalsContact C-N 3.3Å; K76-K78 PolarHBondContact O-N 3.14Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 3.41Å; K78-S81 PolarHBondContact O-N 2.93Å; K78-F82 WeakPolarHBondContact O-CD2 3.45Å; K78-F82 PolarHBondContact O-N 3.14Å; K78-V93 HydrophobicContact CD-CG1 4.46Å; K78-V93 HydrophobicContact CD-CG2 4.1Å; K78-V93 HydrophobicContact CG-CG2 4.09Å |
| 79 | E | 86.2 | Confident | 77.5 | Confident | 119 Ų | 119 | 80.8 Ų | 80.8 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -51.5 | -50 | -178.7 | -70 | 171.6 | 177.1 | 0 | 0 | 111 | E75 K76 S81 F82 | E75-E79 PolarHBondContact O-N 3.38Å; K76-E79 PolarHBondContact O-N 2.93Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.04Å; E79-F82 PolarHBondContact O-N 2.86Å |
| 80 | N | 82.2 | Confident | 76 | Confident | 56 Ų | 56 | 86.6 Ų | 86.6 | 30% | 0.299 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -79.1 | -12.9 | -177.2 | -65.3 | -23.3 | 0 | 0 | 0 | 114.1 | K76 K78 F159 | K76-N80 WeakPolarHBondContact O-CB 3.42Å; K76-N80 PolarHBondContact O-N 3.11Å; K76-N80 VanDerWaalsContact O-N 3.07Å; K76-N80 PolarHBondContact O-ND2 2.87Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 3.41Å; N80-F159 VanDerWaalsContact CB-O 3.29Å; N80-F159 WeakPolarHBondContact CB-O 3.5Å; N80-F159 PolarHBondContact ND2-O 2.8Å |
| 81 | S | 75.4 | Confident | 75.1 | Confident | 57 Ų | 57 | 88.3 Ų | 88.3 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -80.5 | -21.4 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | F77 K78 E79 | F77-S81 WeakPolarHBondContact O-CB 3.45Å; F77-S81 PolarHBondContact O-N 3.27Å; F77-S81 VanDerWaalsContact O-N 3.15Å; K78-S81 PolarHBondContact O-N 2.93Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.04Å |
| 82 | F | 62.1 | Low | 74 | Confident | 184 Ų | 184 | 88.6 Ų | 88.6 | 81% | 0.807 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -78.6 | -31.6 | 175 | -78.7 | -78.5 | 0 | 0 | 0 | 112.4 | K78 E79 | K78-F82 WeakPolarHBondContact O-CD2 3.45Å; K78-F82 PolarHBondContact O-N 3.14Å; E79-F82 PolarHBondContact O-N 2.86Å |
| 83 | D | 57.6 | Low | 73.3 | Confident | 144 Ų | 144 | 91.6 Ų | 91.6 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -80 | -24.3 | 179.4 | -81.1 | -28.9 | 0 | 0 | 0 | 113.6 | ||
| 84 | A | 55.5 | Low | 72.9 | Confident | 49 Ų | 49 | 95 Ų | 95 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | trans | -95.2 | 103.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K86 | A84-K86 PolarHBondContact O-N 3.43Š| ||
| 85 | N | 51.6 | Low | 72.7 | Confident | 174 Ų | 174 | 103 Ų | 103 | 93% | 0.93 | 54% | 0.538 | S | S | * | . | trans | -68.6 | 34.2 | 170.1 | -139.6 | 8.2 | 0 | 0 | 0 | 112.9 | ||||
| 86 | K | 52.2 | Low | 72.7 | Confident | 175 Ų | 175 | 98.6 Ų | 98.6 | 76% | 0.761 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -103.1 | 135.5 | 176.3 | -77.3 | -175.9 | 177.7 | 177.8 | 0 | 108.6 | A84 G88 | A84-K86 PolarHBondContact O-N 3.43Å; K86-G88 PolarHBondContact O-N 3.26Å |
| 87 | P | 46.8 | Very low | 72.8 | Confident | 142 Ų | 142 | 98.5 Ų | 98.5 | 92% | 0.922 | 52% | 0.524 | S | S | * | . | trans | -71.8 | 73.9 | 172.6 | 31.1 | -33.3 | 0 | 0 | 0 | 109.6 | ||||
| 88 | G | 55.7 | Low | 73 | Confident | 53 Ų | 53 | 100.5 Ų | 100.5 | 55% | 0.546 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 150.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K86 T90 | K86-G88 PolarHBondContact O-N 3.26Å; G88-T90 PolarHBondContact O-N 2.86Å; G88-T90 VanDerWaalsContact O-N 3.08Å |
| 89 | K | 59.2 | Low | 73.5 | Confident | 190 Ų | 190 | 101 Ų | 101 | 83% | 0.826 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 117.2 | 170 | -77.5 | 179.7 | 175 | -179.6 | 0 | 108.8 | L91 | K89-L91 PolarHBondContact O-N 3.31Š|
| 90 | T | 67 | Low | 73.8 | Confident | 122 Ų | 122 | 98.5 Ų | 98.5 | 75% | 0.748 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 118.1 | 169 | 39.3 | 0 | 0 | 0 | 0 | 108.1 | G88 | G88-T90 PolarHBondContact O-N 2.86Å; G88-T90 VanDerWaalsContact O-N 3.08Å |
| 91 | L | 78.4 | Confident | 74.4 | Confident | 36 Ų | 36 | 103 Ų | 103 | 19% | 0.188 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -75.1 | 141.1 | 177.5 | -68.6 | -178.4 | 0 | 0 | 0 | 109.9 | F77 K89 V93 V123 F159 | F77-L91 HydrophobicContact CD2-CD1 3.37Å; F77-L91 HydrophobicContact CE2-CD1 3.71Å; F77-L91 HydrophobicContact CG-CD1 4.13Å; K89-L91 PolarHBondContact O-N 3.31Å; L91-V93 PolarHBondContact O-N 3.13Å; L91-V123 HydrophobicContact CD1-CB 4.19Å; L91-V123 HydrophobicContact CD1-CG1 4.26Å; L91-F159 HydrophobicContact CD1-CD2 4.21Å; L91-F159 HydrophobicContact CD1-CE1 4.08Å; L91-F159 HydrophobicContact CD1-CE2 3.47Å; L91-F159 VanDerWaalsContact CD1-CE2 3.47Å; L91-F159 HydrophobicContact CD1-CZ 3.39Å; L91-F159 HydrophobicContact CD2-CZ 4.33Å; L91-F159 HydrophobicContact CG-CE1 4.24Å; L91-F159 HydrophobicContact CG-CE2 4.21Å; L91-F159 HydrophobicContact CG-CZ 3.65Å |
| 92 | P | 73.5 | Confident | 75.4 | Confident | 63 Ų | 63 | 100.5 Ų | 100.5 | 41% | 0.409 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -63 | 131.5 | 179.2 | 25.5 | -33.4 | 0 | 0 | 0 | 110.3 | Q74 D122 | Q74-P92 PolarHBondContact OE1-O 2.86Å; P92-D122 WeakPolarHBondContact CD-O 3.49Å; P92-D122 HydrophobicContact CG-CB 3.72Å; P92-D122 WeakPolarHBondContact CG-O 3.42Å |
| 93 | V | 80.6 | Confident | 77 | Confident | 81 Ų | 81 | 95.6 Ų | 95.6 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 117.4 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | Q74 K78 L91 | Q74-V93 HydrophobicContact CG-CG1 4.34Å; Q74-V93 HydrophobicContact CG-CG2 4.41Å; K78-V93 HydrophobicContact CD-CG1 4.46Å; K78-V93 HydrophobicContact CD-CG2 4.1Å; K78-V93 HydrophobicContact CG-CG2 4.09Å; L91-V93 PolarHBondContact O-N 3.13Å |
| 94 | R | 87.8 | Confident | 78.9 | Confident | 73 Ų | 73 | 92 Ų | 92 | 28% | 0.275 | 52% | 0.52 | S | S | . | . | trans | -141.7 | 161.2 | 174.8 | 67.2 | 178.3 | 178.6 | 107.4 | -14.1 | 113.3 | Q74 S118 W119 D122 | Q74-R94 PolarHBondContact NE2-O 2.93Å; Q74-R94 PolarHBondContact OE1-O 3.4Å; R94-S118 PolarHBondContact NH2-O 3Å; R94-S118 PolarHBondContact NH2-OG 3.05Å; R94-W119 VanDerWaalsContact NH2-CA 3.33Å; R94-D122 IonicContact CZ-OD2 3.83Å; R94-D122 IonicContact NE-OD2 3.49Å; R94-D122 PolarHBondContact NE-OD2 3.17Å; R94-D122 IonicContact NH2-OD2 2.7Å; R94-D122 PolarHBondContact NH2-OD2 3.04Å | ||
| 95 | K | 90.1 | Very high | 80.7 | Confident | 186 Ų | 186 | 91.1 Ų | 91.1 | 81% | 0.809 | 52% | 0.516 | S | S | * | . | trans | -71.8 | 134.3 | 168.5 | -172.1 | 174.9 | -178.4 | 178 | 0 | 108.9 | P97 | K95-P97 WeakPolarHBondContact O-CD 3.49Š| ||
| 96 | I | 93.3 | Very high | 82.9 | Confident | 3 Ų | 3 | 84.1 Ų | 84.1 | 2% | 0.015 | 48% | 0.481 | C | S | . | . | trans | -102.6 | 108.6 | 178.1 | -54.7 | 178.5 | 0 | 0 | 0 | 107 | C67 A70 E71 C98 N115 W119 | C67-I96 HydrophobicContact CB-CG2 4.06Å; A70-I96 HydrophobicContact CB-CD1 3.18Å; E71-I96 HydrophobicContact CG-CD1 4.39Å; I96-C98 PolarHBondContact O-N 2.86Å; I96-N115 HydrophobicContact CG2-CB 4.2Å; I96-W119 HydrophobicContact CD1-CB 4.13Å; I96-W119 HydrophobicContact CD1-CD2 4.15Å; I96-W119 HydrophobicContact CD1-CG 3.7Å; I96-W119 HydrophobicContact CG1-CG 4.37Å | ||
| 97 | P | 94.6 | Very high | 85.1 | Confident | 69 Ų | 69 | 82 Ų | 82 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | trans | -61.6 | 126.3 | 178.3 | -18.6 | 31.2 | 0 | 0 | 0 | 109.8 | K95 N115 | K95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-N115 PolarHBondContact O-ND2 3.48Å | ||
| 98 | C | 96.4 | Very high | 87.5 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | trans | -146.7 | 130.3 | -176.5 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | C67 I96 N112 | C67-C98 HydrophobicContact CB-CB 3.61Å; C67-C98 WeakPolarHBondContact CB-SG 3.19Å; I96-C98 PolarHBondContact O-N 2.86Å; C98-N112 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 99 | K | 96.8 | Very high | 89.6 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 40% | 0.404 | 42% | 0.422 | S | S | . | . | trans | -102.1 | 97.5 | 171.3 | -170.4 | 179.4 | -174.4 | 177.2 | 0 | 109 | N101 A102 F108 N112 | K99-N101 PolarHBondContact O-N 3.12Å; K99-N101 VanDerWaalsContact O-N 3.17Å; K99-A102 HydrophobicContact CB-CB 4.49Å; K99-A102 WeakPolarHBondContact O-CB 3.46Å; K99-A102 PolarHBondContact O-N 3.03Å; K99-A102 VanDerWaalsContact O-N 3.11Å; K99-F108 HydrophobicContact CD-CB 3.99Å; K99-F108 HydrophobicContact CD-CD1 3.81Å; K99-F108 HydrophobicContact CD-CD2 4.49Å; K99-F108 HydrophobicContact CD-CE1 4.44Å; K99-F108 HydrophobicContact CD-CG 3.84Å; K99-N112 PolarHBondContact N-OD1 3.34Å; K99-N112 PolarHBondContact O-ND2 3.13Å | ||
| 100 | A | 93.7 | Very high | 91.4 | Very high | 65 Ų | 65 | 71.3 Ų | 71.3 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 101 | N | 94.1 | Very high | 92.9 | Very high | 151 Ų | 151 | 68.4 Ų | 68.4 | 81% | 0.807 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 31.4 | -177.9 | -58.8 | -27.4 | 0 | 0 | 0 | 112.2 | K99 | K99-N101 PolarHBondContact O-N 3.12Å; K99-N101 VanDerWaalsContact O-N 3.17Å |
| 102 | A | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 129.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | N62 K99 S104 F108 A109 N112 | N62-A102 WeakPolarHBondContact CB-O 3.43Å; K99-A102 HydrophobicContact CB-CB 4.49Å; K99-A102 WeakPolarHBondContact O-CB 3.46Å; K99-A102 PolarHBondContact O-N 3.03Å; K99-A102 VanDerWaalsContact O-N 3.11Å; A102-S104 PolarHBondContact O-N 3.49Å; A102-F108 HydrophobicContact CB-CB 3.76Å; A102-A109 HydrophobicContact CB-CB 4.45Å; A102-N112 WeakPolarHBondContact CB-ND2 3.48Å |
| 103 | P | 96.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -62 | 137.4 | 172.2 | -20.9 | 32.3 | 0 | 0 | 0 | 110.6 | S106 A109 | P103-S106 WeakPolarHBondContact O-CB 3.25Å; P103-S106 PolarHBondContact O-N 2.88Å; P103-S106 PolarHBondContact O-OG 2.93Å; P103-A109 WeakPolarHBondContact O-CB 3.49Å |
| 104 | S | 96.3 | Very high | 95.9 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 147.1 | 171.5 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | D61 A102 S106 | D61-S104 VanDerWaalsContact OD1-CB 3.22Å; D61-S104 WeakPolarHBondContact OD1-CB 3.33Å; D61-S104 PolarHBondContact OD1-OG 3.49Å; D61-S104 PolarHBondContact OD2-OG 3Å; A102-S104 PolarHBondContact O-N 3.49Å; S104-S106 PolarHBondContact O-N 2.58Å; S104-S106 VanDerWaalsContact O-N 3.14Å |
| 105 | G | 94.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -11.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 106 | S | 97.5 | Very high | 96.8 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -84 | 166 | -169.9 | 75.9 | 0 | 0 | 0 | 0 | 114.8 | P103 S104 F108 A109 R110 | P103-S106 WeakPolarHBondContact O-CB 3.25Å; P103-S106 PolarHBondContact O-N 2.88Å; P103-S106 PolarHBondContact O-OG 2.93Å; S104-S106 PolarHBondContact O-N 2.58Å; S104-S106 VanDerWaalsContact O-N 3.14Å; S106-F108 VanDerWaalsContact C-N 3.26Å; S106-F108 PolarHBondContact O-N 3.18Å; S106-F108 PolarHBondContact OG-N 3.25Å; S106-A109 WeakPolarHBondContact O-CB 3.34Å; S106-A109 PolarHBondContact O-N 2.99Å; S106-A109 VanDerWaalsContact O-N 3.12Å; S106-A109 PolarHBondContact OG-N 3.46Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.89Å; S106-R110 VanDerWaalsContact O-N 3.13Å |
| 107 | F | 97.4 | Very high | 97.1 | Very high | 132 Ų | 132 | 51.9 Ų | 51.9 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -54.5 | -40.7 | 169.1 | -177.5 | -99.1 | 0 | 0 | 0 | 112.5 | A109 R110 D111 | F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 3.09Å; F107-R110 WeakPolarHBondContact O-CB 3.39Å; F107-R110 PolarHBondContact O-N 2.7Å; F107-D111 WeakPolarHBondContact CE1-OD2 2.96Å; F107-D111 WeakPolarHBondContact CZ-OD1 2.95Å; F107-D111 PolarHBondContact O-N 3.24Å |
| 108 | F | 98.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 50.7 Ų | 50.7 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -33.6 | 177.6 | -60.8 | -66.6 | 0 | 0 | 0 | 113.2 | K99 A102 S106 R110 D111 N112 | K99-F108 HydrophobicContact CD-CB 3.99Å; K99-F108 HydrophobicContact CD-CD1 3.81Å; K99-F108 HydrophobicContact CD-CD2 4.49Å; K99-F108 HydrophobicContact CD-CE1 4.44Å; K99-F108 HydrophobicContact CD-CG 3.84Å; A102-F108 HydrophobicContact CB-CB 3.76Å; S106-F108 VanDerWaalsContact C-N 3.26Å; S106-F108 PolarHBondContact O-N 3.18Å; S106-F108 PolarHBondContact OG-N 3.25Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-D111 PolarHBondContact O-N 3.1Å; F108-N112 PolarHBondContact O-N 3.33Å |
| 109 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N62 A102 P103 S106 F107 N112 T113 V137 | N62-A109 WeakPolarHBondContact O-CA 3.4Å; A102-A109 HydrophobicContact CB-CB 4.45Å; P103-A109 WeakPolarHBondContact O-CB 3.49Å; S106-A109 WeakPolarHBondContact O-CB 3.34Å; S106-A109 PolarHBondContact O-N 2.99Å; S106-A109 VanDerWaalsContact O-N 3.12Å; S106-A109 PolarHBondContact OG-N 3.46Å; F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 3.09Å; A109-N112 PolarHBondContact O-N 2.94Å; A109-T113 WeakPolarHBondContact O-CB 3.18Å; A109-T113 PolarHBondContact O-N 3.37Å; A109-T113 PolarHBondContact O-OG1 2.84Å; A109-V137 HydrophobicContact CB-CG1 4.2Å; A109-V137 HydrophobicContact CB-CG2 4.08Å |
| 110 | R | 98.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 43.7 Ų | 43.7 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 174.3 | -64.5 | 156.4 | -176.4 | -164.3 | -1 | 111.3 | S106 F107 F108 T113 A114 S133 E134 V137 | S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.89Å; S106-R110 VanDerWaalsContact O-N 3.13Å; F107-R110 WeakPolarHBondContact O-CB 3.39Å; F107-R110 PolarHBondContact O-N 2.7Å; F108-R110 VanDerWaalsContact C-N 3.34Å; R110-T113 PolarHBondContact O-N 3.39Å; R110-A114 WeakPolarHBondContact O-CB 3.46Å; R110-A114 PolarHBondContact O-N 2.82Å; R110-S133 WeakPolarHBondContact O-CB 3.38Å; R110-E134 WeakPolarHBondContact CD-OE1 3.23Å; R110-E134 IonicContact CZ-OE1 2.68Å; R110-E134 IonicContact CZ-OE2 3.36Å; R110-E134 VanDerWaalsContact NE-CD 3.25Å; R110-E134 IonicContact NE-OE1 3.67Å; R110-E134 PolarHBondContact NE-OE1 3.36Å; R110-E134 IonicContact NE-OE2 3.77Å; R110-E134 PolarHBondContact NE-OE2 3.32Å; R110-E134 VanDerWaalsContact NE-OE2 3.08Å; R110-E134 IonicContact NH1-OE1 3.53Å; R110-E134 PolarHBondContact NH1-OE1 2.85Å; R110-E134 IonicContact NH1-OE2 3.54Å; R110-E134 PolarHBondContact NH1-OE2 2.73Å; R110-E134 IonicContact NH2-OE1 3.83Å; R110-E134 PolarHBondContact NH2-OE1 3.44Å; R110-E134 IonicContact NH2-OE2 3.45Å; R110-E134 PolarHBondContact NH2-OE2 2.9Å; R110-V137 HydrophobicContact CB-CG2 4.47Å; R110-V137 HydrophobicContact CG-CB 4.04Å; R110-V137 HydrophobicContact CG-CG1 3.96Å; R110-V137 HydrophobicContact CG-CG2 3.79Å |
| 111 | D | 98.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.2 | -79.9 | -3.9 | 0 | 0 | 0 | 111.9 | F107 F108 T113 A114 N115 | F107-D111 WeakPolarHBondContact CE1-OD2 2.96Å; F107-D111 WeakPolarHBondContact CZ-OD1 2.95Å; F107-D111 PolarHBondContact O-N 3.24Å; F108-D111 PolarHBondContact O-N 3.1Å; D111-T113 VanDerWaalsContact C-N 3.3Å; D111-T113 PolarHBondContact O-N 3.39Å; D111-A114 PolarHBondContact O-N 2.67Å; D111-N115 PolarHBondContact O-N 3.27Å; D111-N115 PolarHBondContact O-ND2 3.43Å; D111-N115 VanDerWaalsContact O-ND2 3.15Å |
| 112 | N | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.7 | -49.4 | 174.4 | -74.2 | -14.8 | 0 | 0 | 0 | 111 | N62 C67 C98 K99 A102 F108 A109 A114 N115 F116 | N62-N112 PolarHBondContact O-ND2 3.19Å; C67-N112 PolarHBondContact SG-O 3.48Å; C98-N112 WeakPolarHBondContact CA-OD1 3.44Å; K99-N112 PolarHBondContact N-OD1 3.34Å; K99-N112 PolarHBondContact O-ND2 3.13Å; A102-N112 WeakPolarHBondContact CB-ND2 3.48Å; F108-N112 PolarHBondContact O-N 3.33Å; A109-N112 PolarHBondContact O-N 2.94Å; N112-A114 PolarHBondContact O-N 2.87Å; N112-N115 PolarHBondContact O-N 2.94Å; N112-F116 PolarHBondContact O-N 3.16Å |
| 113 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | -179.7 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | A109 R110 D111 N115 F116 L117 F131 L136 | A109-T113 WeakPolarHBondContact O-CB 3.18Å; A109-T113 PolarHBondContact O-N 3.37Å; A109-T113 PolarHBondContact O-OG1 2.84Å; R110-T113 PolarHBondContact O-N 3.39Å; D111-T113 VanDerWaalsContact C-N 3.3Å; D111-T113 PolarHBondContact O-N 3.39Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 3.47Å; T113-F116 WeakPolarHBondContact O-CB 3.3Å; T113-F116 PolarHBondContact O-N 3.16Å; T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 VanDerWaalsContact O-CG 3.3Å; T113-L117 WeakPolarHBondContact O-CG 3.36Å; T113-L117 PolarHBondContact O-N 3.48Å; T113-F131 HydrophobicContact CG2-CE2 3.49Å; T113-F131 VanDerWaalsContact CG2-CE2 3.49Å; T113-F131 HydrophobicContact CG2-CZ 4Å; T113-L136 HydrophobicContact CG2-CB 4.23Å; T113-L136 HydrophobicContact CG2-CD2 3.69Å |
| 114 | A | 98.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R110 D111 N112 L117 S118 | R110-A114 WeakPolarHBondContact O-CB 3.46Å; R110-A114 PolarHBondContact O-N 2.82Å; D111-A114 PolarHBondContact O-N 2.67Å; N112-A114 PolarHBondContact O-N 2.87Å; A114-L117 PolarHBondContact O-N 3.47Å; A114-S118 WeakPolarHBondContact O-CB 3.27Å; A114-S118 PolarHBondContact O-N 3.27Å |
| 115 | N | 98.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 174.7 | -69 | -33 | 0 | 0 | 0 | 111.6 | I96 P97 D111 N112 T113 S118 W119 | I96-N115 HydrophobicContact CG2-CB 4.2Å; P97-N115 PolarHBondContact O-ND2 3.48Å; D111-N115 PolarHBondContact O-N 3.27Å; D111-N115 PolarHBondContact O-ND2 3.43Å; D111-N115 VanDerWaalsContact O-ND2 3.15Å; N112-N115 PolarHBondContact O-N 2.94Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 3.47Å; N115-S118 PolarHBondContact O-N 3.06Å; N115-W119 PolarHBondContact O-N 2.96Å |
| 116 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | 172 | 168.1 | -103 | 0 | 0 | 0 | 112 | L66 L69 A70 N112 T113 S118 W119 C120 F131 L149 L152 | L66-F116 HydrophobicContact CB-CB 4Å; L66-F116 HydrophobicContact CB-CD1 3.89Å; L66-F116 HydrophobicContact CB-CD2 3.73Å; L66-F116 HydrophobicContact CB-CE1 4.27Å; L66-F116 HydrophobicContact CB-CE2 4.12Å; L66-F116 HydrophobicContact CB-CG 3.59Å; L66-F116 HydrophobicContact CB-CZ 4.36Å; L66-F116 HydrophobicContact CD1-CD1 3.8Å; L66-F116 HydrophobicContact CD1-CE1 4Å; L66-F116 HydrophobicContact CD1-CG 4.34Å; L66-F116 HydrophobicContact CD2-CE1 4.25Å; L66-F116 HydrophobicContact CD2-CZ 4.18Å; L66-F116 HydrophobicContact CG-CD1 4.35Å; L66-F116 HydrophobicContact CG-CE1 4.43Å; L66-F116 WeakPolarHBondContact O-CD2 3.43Å; L69-F116 HydrophobicContact CD2-CE2 4.36Å; A70-F116 HydrophobicContact CB-CD2 3.9Å; A70-F116 HydrophobicContact CB-CE2 4.24Å; N112-F116 PolarHBondContact O-N 3.16Å; T113-F116 WeakPolarHBondContact O-CB 3.3Å; T113-F116 PolarHBondContact O-N 3.16Å; F116-S118 VanDerWaalsContact C-N 3.3Å; F116-S118 PolarHBondContact O-N 2.94Å; F116-W119 HydrophobicContact CD2-CE3 4.43Å; F116-W119 HydrophobicContact CE2-CE3 4.37Å; F116-W119 HydrophobicContact CE2-CZ3 4.36Å; F116-W119 CarbonylContact O-C 3.46Å; F116-W119 WeakPolarHBondContact O-CA 3.49Å; F116-W119 WeakPolarHBondContact O-CB 3.46Å; F116-W119 PolarHBondContact O-N 3.39Å; F116-C120 VanDerWaalsContact CE1-SG 3.52Å; F116-C120 WeakPolarHBondContact CZ-SG 3.4Å; F116-C120 PolarHBondContact O-N 3.3Å; F116-C120 PolarHBondContact O-SG 3.07Å; F116-F131 HydrophobicContact CD1-CZ 4.26Å; F116-F131 HydrophobicContact CE1-CE1 4.12Å; F116-F131 HydrophobicContact CE1-CZ 4.17Å; F116-L149 HydrophobicContact CZ-CD2 4.06Å; F116-L152 HydrophobicContact CE2-CD2 4.11Å; F116-L152 HydrophobicContact CZ-CD2 4.03Å |
| 117 | L | 98.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 179.8 | -70.7 | 168.1 | 0 | 0 | 0 | 112.3 | T113 A114 W119 C120 R121 L130 F131 | T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 VanDerWaalsContact O-CG 3.3Å; T113-L117 WeakPolarHBondContact O-CG 3.36Å; T113-L117 PolarHBondContact O-N 3.48Å; A114-L117 PolarHBondContact O-N 3.47Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 3.11Å; L117-C120 WeakPolarHBondContact O-CB 3.49Å; L117-C120 PolarHBondContact O-N 2.82Å; L117-R121 PolarHBondContact O-N 3.45Å; L117-R121 VanDerWaalsContact O-N 3.17Å; L117-L130 HydrophobicContact CD2-CB 4.4Å; L117-L130 HydrophobicContact CD2-CD2 3.99Å; L117-F131 HydrophobicContact CD1-CD2 4.39Å; L117-F131 HydrophobicContact CD1-CE2 4.19Å; L117-F131 WeakPolarHBondContact CD1-O 3.33Å; L117-F131 HydrophobicContact CD2-CD1 3.8Å; L117-F131 HydrophobicContact CD2-CD2 4.33Å; L117-F131 HydrophobicContact CD2-CE1 3.59Å; L117-F131 HydrophobicContact CD2-CE2 4.11Å; L117-F131 HydrophobicContact CD2-CG 4.17Å; L117-F131 HydrophobicContact CD2-CZ 3.74Å; L117-F131 WeakPolarHBondContact CD2-O 3.32Å; L117-F131 HydrophobicContact CG-CE2 4.37Å; L117-F131 HydrophobicContact CG-CZ 4.23Å |
| 118 | S | 97.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 172 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | R94 A114 N115 F116 R121 D122 | R94-S118 PolarHBondContact NH2-O 3Å; R94-S118 PolarHBondContact NH2-OG 3.05Å; A114-S118 WeakPolarHBondContact O-CB 3.27Å; A114-S118 PolarHBondContact O-N 3.27Å; N115-S118 PolarHBondContact O-N 3.06Å; F116-S118 VanDerWaalsContact C-N 3.3Å; F116-S118 PolarHBondContact O-N 2.94Å; S118-R121 PolarHBondContact O-N 2.9Å; S118-D122 VanDerWaalsContact O-CG 3.26Å; S118-D122 PolarHBondContact O-N 2.91Å |
| 119 | W | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.5 | -36.8 | 176.2 | 174.2 | 89 | 0 | 0 | 0 | 112.3 | A70 L73 Q74 F77 R94 I96 N115 F116 L117 R121 D122 V123 L152 | A70-W119 HydrophobicContact CB-CD2 3.45Å; A70-W119 VanDerWaalsContact CB-CD2 3.45Å; A70-W119 HydrophobicContact CB-CE3 3.29Å; A70-W119 HydrophobicContact CB-CG 4.09Å; A70-W119 HydrophobicContact CB-CH2 3.9Å; A70-W119 HydrophobicContact CB-CZ2 4.03Å; A70-W119 HydrophobicContact CB-CZ3 3.54Å; A70-W119 VanDerWaalsContact O-CZ2 3.28Å; A70-W119 WeakPolarHBondContact O-CZ2 3.47Å; L73-W119 HydrophobicContact CB-CH2 3.89Å; L73-W119 HydrophobicContact CB-CZ2 4.3Å; L73-W119 HydrophobicContact CD1-CH2 4.08Å; Q74-W119 HydrophobicContact CB-CZ2 4.25Å; F77-W119 HydrophobicContact CE2-CH2 4.39Å; F77-W119 HydrophobicContact CE2-CZ2 4.33Å; R94-W119 VanDerWaalsContact NH2-CA 3.33Å; I96-W119 HydrophobicContact CD1-CB 4.13Å; I96-W119 HydrophobicContact CD1-CD2 4.15Å; I96-W119 HydrophobicContact CD1-CG 3.7Å; I96-W119 HydrophobicContact CG1-CG 4.37Å; N115-W119 PolarHBondContact O-N 2.96Å; F116-W119 HydrophobicContact CD2-CE3 4.43Å; F116-W119 HydrophobicContact CE2-CE3 4.37Å; F116-W119 HydrophobicContact CE2-CZ3 4.36Å; F116-W119 CarbonylContact O-C 3.46Å; F116-W119 WeakPolarHBondContact O-CA 3.49Å; F116-W119 WeakPolarHBondContact O-CB 3.46Å; F116-W119 PolarHBondContact O-N 3.39Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 3.11Å; W119-R121 VanDerWaalsContact C-N 3.28Å; W119-R121 PolarHBondContact O-N 3.13Å; W119-D122 WeakPolarHBondContact O-CB 3.42Å; W119-D122 PolarHBondContact O-N 3.11Å; W119-D122 VanDerWaalsContact O-N 3.08Å; W119-V123 HydrophobicContact CD2-CG1 4.11Å; W119-V123 HydrophobicContact CE3-CG2 4.3Å; W119-V123 HydrophobicContact CH2-CG1 4.12Å; W119-V123 HydrophobicContact CH2-CG2 4.18Å; W119-V123 HydrophobicContact CZ2-CG1 3.58Å; W119-V123 HydrophobicContact CZ2-CG2 4.47Å; W119-V123 HydrophobicContact CZ3-CG2 4.09Å; W119-V123 PolarHBondContact O-N 3.39Å; W119-L152 HydrophobicContact CH2-CD1 3.92Å; W119-L152 HydrophobicContact CZ3-CD1 3.68Å; W119-L152 HydrophobicContact CZ3-CD2 3.91Å; W119-L152 HydrophobicContact CZ3-CG 4.44Å |
| 120 | C | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -42.1 | 174.2 | -72.4 | 0 | 0 | 0 | 0 | 112.2 | F116 L117 D122 V123 G124 V125 L130 | F116-C120 VanDerWaalsContact CE1-SG 3.52Å; F116-C120 WeakPolarHBondContact CZ-SG 3.4Å; F116-C120 PolarHBondContact O-N 3.3Å; F116-C120 PolarHBondContact O-SG 3.07Å; L117-C120 WeakPolarHBondContact O-CB 3.49Å; L117-C120 PolarHBondContact O-N 2.82Å; C120-D122 VanDerWaalsContact C-N 3.35Å; C120-V123 VanDerWaalsContact O-CG2 3.24Å; C120-V123 WeakPolarHBondContact O-CG2 3.34Å; C120-V123 PolarHBondContact O-N 3.41Å; C120-G124 PolarHBondContact O-N 2.96Å; C120-V125 HydrophobicContact CB-CB 4Å; C120-V125 HydrophobicContact CB-CG2 3.88Å; C120-V125 WeakPolarHBondContact O-CB 3.5Å; C120-V125 WeakPolarHBondContact O-CG2 3.47Å; C120-V125 PolarHBondContact O-N 3.44Å; C120-L130 HydrophobicContact CB-CD2 3.73Å |
| 121 | R | 96.8 | Very high | 96.9 | Very high | 122 Ų | 122 | 39.5 Ų | 39.5 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 173.7 | -69.2 | -175 | -169.2 | 96.9 | 1.7 | 111.9 | L117 S118 W119 V123 G124 D127 L130 | L117-R121 PolarHBondContact O-N 3.45Å; L117-R121 VanDerWaalsContact O-N 3.17Å; S118-R121 PolarHBondContact O-N 2.9Å; W119-R121 VanDerWaalsContact C-N 3.28Å; W119-R121 PolarHBondContact O-N 3.13Å; R121-V123 VanDerWaalsContact C-N 3.25Å; R121-V123 PolarHBondContact O-N 2.86Å; R121-G124 PolarHBondContact O-N 2.89Å; R121-D127 WeakPolarHBondContact CD-OD1 3.32Å; R121-D127 IonicContact CZ-OD1 3.39Å; R121-D127 IonicContact NE-OD1 3.76Å; R121-D127 PolarHBondContact NE-OD1 3.06Å; R121-L130 HydrophobicContact CG-CD1 3.45Å; R121-L130 VanDerWaalsContact CG-CD1 3.45Å |
| 122 | D | 94.6 | Very high | 96.9 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -33.8 | -178.1 | -59.7 | -29.7 | 0 | 0 | 0 | 112.4 | P92 R94 S118 W119 C120 G124 | P92-D122 WeakPolarHBondContact CD-O 3.49Å; P92-D122 HydrophobicContact CG-CB 3.72Å; P92-D122 WeakPolarHBondContact CG-O 3.42Å; R94-D122 IonicContact CZ-OD2 3.83Å; R94-D122 IonicContact NE-OD2 3.49Å; R94-D122 PolarHBondContact NE-OD2 3.17Å; R94-D122 IonicContact NH2-OD2 2.7Å; R94-D122 PolarHBondContact NH2-OD2 3.04Å; S118-D122 VanDerWaalsContact O-CG 3.26Å; S118-D122 PolarHBondContact O-N 2.91Å; W119-D122 WeakPolarHBondContact O-CB 3.42Å; W119-D122 PolarHBondContact O-N 3.11Å; W119-D122 VanDerWaalsContact O-N 3.08Å; C120-D122 VanDerWaalsContact C-N 3.35Å; D122-G124 VanDerWaalsContact C-N 3.3Å |
| 123 | V | 94.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2 | 175.9 | -57.2 | 0 | 0 | 0 | 0 | 114 | F77 L91 W119 C120 R121 V125 L152 | F77-V123 HydrophobicContact CE2-CG1 4.4Å; L91-V123 HydrophobicContact CD1-CB 4.19Å; L91-V123 HydrophobicContact CD1-CG1 4.26Å; W119-V123 HydrophobicContact CD2-CG1 4.11Å; W119-V123 HydrophobicContact CE3-CG2 4.3Å; W119-V123 HydrophobicContact CH2-CG1 4.12Å; W119-V123 HydrophobicContact CH2-CG2 4.18Å; W119-V123 HydrophobicContact CZ2-CG1 3.58Å; W119-V123 HydrophobicContact CZ2-CG2 4.47Å; W119-V123 HydrophobicContact CZ3-CG2 4.09Å; W119-V123 PolarHBondContact O-N 3.39Å; C120-V123 VanDerWaalsContact O-CG2 3.24Å; C120-V123 WeakPolarHBondContact O-CG2 3.34Å; C120-V123 PolarHBondContact O-N 3.41Å; R121-V123 VanDerWaalsContact C-N 3.25Å; R121-V123 PolarHBondContact O-N 2.86Å; V123-V125 HydrophobicContact CG2-CG2 4.32Å; V123-L152 HydrophobicContact CG2-CD1 3.96Å |
| 124 | G | 94.6 | Very high | 96.8 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 23 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | C120 R121 D122 D126 | C120-G124 PolarHBondContact O-N 2.96Å; R121-G124 PolarHBondContact O-N 2.89Å; D122-G124 VanDerWaalsContact C-N 3.3Å; G124-D126 PolarHBondContact O-N 3.34Å |
| 125 | V | 96.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | trans | -68.2 | 125.4 | 165.2 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | C120 V123 C129 L130 E151 L152 I155 | C120-V125 HydrophobicContact CB-CB 4Å; C120-V125 HydrophobicContact CB-CG2 3.88Å; C120-V125 WeakPolarHBondContact O-CB 3.5Å; C120-V125 WeakPolarHBondContact O-CG2 3.47Å; C120-V125 PolarHBondContact O-N 3.44Å; V123-V125 HydrophobicContact CG2-CG2 4.32Å; V125-C129 HydrophobicContact CG1-CB 4.13Å; V125-L130 HydrophobicContact CB-CD2 4.13Å; V125-L130 HydrophobicContact CG1-CD2 3.57Å; V125-L130 HydrophobicContact CG1-CG 4.19Å; V125-E151 HydrophobicContact CG1-CB 4.33Å; V125-E151 HydrophobicContact CG1-CG 3.98Å; V125-L152 HydrophobicContact CG2-CB 4.46Å; V125-L152 HydrophobicContact CG2-CD1 4.25Å; V125-I155 HydrophobicContact CB-CD1 4.38Å; V125-I155 HydrophobicContact CG2-CD1 3.62Å | ||
| 126 | D | 95 | Very high | 96.7 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | trans | -65 | 141.1 | 179.2 | -171 | -87.9 | 0 | 0 | 0 | 111.6 | G124 T128 C129 L130 | G124-D126 PolarHBondContact O-N 3.34Å; D126-T128 PolarHBondContact O-N 2.88Å; D126-T128 VanDerWaalsContact O-N 3.14Å; D126-T128 VanDerWaalsContact OD1-CB 3.24Å; D126-T128 WeakPolarHBondContact OD1-CB 3.44Å; D126-T128 VanDerWaalsContact OD1-CG2 3.3Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.39Å; D126-T128 PolarHBondContact OD1-N 3.3Å; D126-T128 PolarHBondContact OD1-OG1 2.73Å; D126-C129 WeakPolarHBondContact O-CB 3.37Å; D126-C129 PolarHBondContact O-N 2.67Å; D126-L130 PolarHBondContact O-N 3.42Å | ||
| 127 | D | 95.7 | Very high | 96.7 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -58.8 | -28.8 | -178.1 | -79.9 | -39.2 | 0 | 0 | 0 | 112.4 | R121 C129 L130 | R121-D127 WeakPolarHBondContact CD-OD1 3.32Å; R121-D127 IonicContact CZ-OD1 3.39Å; R121-D127 IonicContact NE-OD1 3.76Å; R121-D127 PolarHBondContact NE-OD1 3.06Å; D127-C129 PolarHBondContact O-N 2.97Å; D127-L130 PolarHBondContact O-N 3.33Å; D127-L130 WeakPolarHBondContact OD1-CD1 3.4Å |
| 128 | T | 94.5 | Very high | 96.6 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 77% | 0.767 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -69.1 | -16.6 | 176.4 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | D126 | D126-T128 PolarHBondContact O-N 2.88Å; D126-T128 VanDerWaalsContact O-N 3.14Å; D126-T128 VanDerWaalsContact OD1-CB 3.24Å; D126-T128 WeakPolarHBondContact OD1-CB 3.44Å; D126-T128 VanDerWaalsContact OD1-CG2 3.3Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.39Å; D126-T128 PolarHBondContact OD1-N 3.3Å; D126-T128 PolarHBondContact OD1-OG1 2.73Å |
| 129 | C | 94.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -98.1 | -8.7 | 176.7 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | V125 D126 D127 C148 E151 | V125-C129 HydrophobicContact CG1-CB 4.13Å; D126-C129 WeakPolarHBondContact O-CB 3.37Å; D126-C129 PolarHBondContact O-N 2.67Å; D127-C129 PolarHBondContact O-N 2.97Å; C129-C148 WeakPolarHBondContact O-CA 3.28Å; C129-C148 WeakPolarHBondContact O-CB 3.48Å; C129-C148 PolarHBondContact O-N 3.11Å; C129-E151 HydrophobicContact CB-CB 4.2Å; C129-E151 HydrophobicContact CB-CG 4.28Å |
| 130 | L | 97.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | trans | -80.3 | 150.4 | 178.8 | -63.4 | 177.5 | 0 | 0 | 0 | 111.6 | L117 C120 R121 V125 D126 D127 | L117-L130 HydrophobicContact CD2-CB 4.4Å; L117-L130 HydrophobicContact CD2-CD2 3.99Å; C120-L130 HydrophobicContact CB-CD2 3.73Å; R121-L130 HydrophobicContact CG-CD1 3.45Å; R121-L130 VanDerWaalsContact CG-CD1 3.45Å; V125-L130 HydrophobicContact CB-CD2 4.13Å; V125-L130 HydrophobicContact CG1-CD2 3.57Å; V125-L130 HydrophobicContact CG1-CG 4.19Å; D126-L130 PolarHBondContact O-N 3.42Å; D127-L130 PolarHBondContact O-N 3.33Å; D127-L130 WeakPolarHBondContact OD1-CD1 3.4Å | ||
| 131 | F | 98.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | trans | -104.8 | 170 | 170.3 | 63.1 | -84.9 | 0 | 0 | 0 | 110.2 | L66 T113 F116 L117 L136 E144 V145 C148 | L66-F131 HydrophobicContact CD1-CZ 3.97Å; T113-F131 HydrophobicContact CG2-CE2 3.49Å; T113-F131 VanDerWaalsContact CG2-CE2 3.49Å; T113-F131 HydrophobicContact CG2-CZ 4Å; F116-F131 HydrophobicContact CD1-CZ 4.26Å; F116-F131 HydrophobicContact CE1-CE1 4.12Å; F116-F131 HydrophobicContact CE1-CZ 4.17Å; L117-F131 HydrophobicContact CD1-CD2 4.39Å; L117-F131 HydrophobicContact CD1-CE2 4.19Å; L117-F131 WeakPolarHBondContact CD1-O 3.33Å; L117-F131 HydrophobicContact CD2-CD1 3.8Å; L117-F131 HydrophobicContact CD2-CD2 4.33Å; L117-F131 HydrophobicContact CD2-CE1 3.59Å; L117-F131 HydrophobicContact CD2-CE2 4.11Å; L117-F131 HydrophobicContact CD2-CG 4.17Å; L117-F131 HydrophobicContact CD2-CZ 3.74Å; L117-F131 WeakPolarHBondContact CD2-O 3.32Å; L117-F131 HydrophobicContact CG-CE2 4.37Å; L117-F131 HydrophobicContact CG-CZ 4.23Å; F131-L136 HydrophobicContact CD2-CB 3.9Å; F131-L136 HydrophobicContact CE2-CB 3.47Å; F131-L136 VanDerWaalsContact CE2-CB 3.47Å; F131-L136 HydrophobicContact CE2-CD2 3.94Å; F131-L136 HydrophobicContact CE2-CG 4.3Å; F131-L136 HydrophobicContact CZ-CB 4.4Å; F131-L136 HydrophobicContact CZ-CD2 4.18Å; F131-E144 HydrophobicContact CB-CB 3.63Å; F131-V145 HydrophobicContact CB-CG2 4.25Å; F131-V145 HydrophobicContact CD1-CB 4.32Å; F131-V145 HydrophobicContact CD1-CG2 3.9Å; F131-V145 HydrophobicContact CD2-CG2 3.62Å; F131-V145 HydrophobicContact CE1-CB 4.49Å; F131-V145 HydrophobicContact CE1-CG2 4.12Å; F131-V145 HydrophobicContact CE2-CG2 3.9Å; F131-V145 HydrophobicContact CG-CB 4.49Å; F131-V145 HydrophobicContact CG-CG2 3.65Å; F131-V145 HydrophobicContact CZ-CG2 4.13Å; F131-C148 HydrophobicContact CD1-CB 3.63Å; F131-C148 HydrophobicContact CE1-CB 3.91Å | ||
| 132 | E | 98.1 | Very high | 96.1 | Very high | 125 Ų | 125 | 52.3 Ų | 52.3 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | trans | -88.7 | 145.9 | 174.7 | -62.3 | 178.7 | 177.5 | 0 | 0 | 110.8 | E134 G135 L136 | E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 3.47Å; E132-G135 VanDerWaalsContact O-CA 3.3Å; E132-G135 WeakPolarHBondContact O-CA 3.28Å; E132-G135 PolarHBondContact O-N 3.18Å; E132-L136 PolarHBondContact O-N 3.16Å | ||
| 133 | S | 98.1 | Very high | 96 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -41.7 | 179.5 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | R110 G135 L136 V137 | R110-S133 WeakPolarHBondContact O-CB 3.38Å; S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.17Å; S133-L136 PolarHBondContact O-N 2.79Å; S133-V137 WeakPolarHBondContact O-CB 3.39Å; S133-V137 WeakPolarHBondContact O-CG2 3.21Å; S133-V137 PolarHBondContact O-N 3.05Å; S133-V137 VanDerWaalsContact O-N 3.1Å |
| 134 | E | 97.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 58 Ų | 58 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 171.5 | -67.3 | -68.1 | 160.6 | 0 | 0 | 113 | R110 E132 L136 V137 L138 | R110-E134 WeakPolarHBondContact CD-OE1 3.23Å; R110-E134 IonicContact CZ-OE1 2.68Å; R110-E134 IonicContact CZ-OE2 3.36Å; R110-E134 VanDerWaalsContact NE-CD 3.25Å; R110-E134 IonicContact NE-OE1 3.67Å; R110-E134 PolarHBondContact NE-OE1 3.36Å; R110-E134 IonicContact NE-OE2 3.77Å; R110-E134 PolarHBondContact NE-OE2 3.32Å; R110-E134 VanDerWaalsContact NE-OE2 3.08Å; R110-E134 IonicContact NH1-OE1 3.53Å; R110-E134 PolarHBondContact NH1-OE1 2.85Å; R110-E134 IonicContact NH1-OE2 3.54Å; R110-E134 PolarHBondContact NH1-OE2 2.73Å; R110-E134 IonicContact NH2-OE1 3.83Å; R110-E134 PolarHBondContact NH2-OE1 3.44Å; R110-E134 IonicContact NH2-OE2 3.45Å; R110-E134 PolarHBondContact NH2-OE2 2.9Å; E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 3.47Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.08Å; E134-V137 PolarHBondContact O-N 2.93Å; E134-L138 VanDerWaalsContact O-CB 3.3Å; E134-L138 WeakPolarHBondContact O-CB 3.43Å; E134-L138 PolarHBondContact O-N 3.26Å; E134-L138 VanDerWaalsContact OE2-CD1 3.28Å; E134-L138 WeakPolarHBondContact OE2-CD1 3.33Å |
| 135 | G | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E132 S133 H139 K140 Q141 | E132-G135 VanDerWaalsContact O-CA 3.3Å; E132-G135 WeakPolarHBondContact O-CA 3.28Å; E132-G135 PolarHBondContact O-N 3.18Å; S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.17Å; G135-H139 CarbonylContact O-C 3.41Å; G135-H139 PolarHBondContact O-N 2.71Å; G135-K140 PolarHBondContact O-N 3.43Å; G135-Q141 PolarHBondContact O-N 2.9Å |
| 136 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.5 | -52.2 | 172.5 | 173 | 66.9 | 0 | 0 | 0 | 111.6 | M57 L60 L66 T113 F131 E132 S133 E134 L138 H139 V145 | M57-L136 HydrophobicContact CE-CD1 3.79Å; M57-L136 HydrophobicContact SD-CD1 4.5Å; L60-L136 HydrophobicContact CB-CD1 3.97Å; L60-L136 WeakPolarHBondContact O-CD2 3.37Å; L66-L136 HydrophobicContact CD1-CD2 3.29Å; L66-L136 HydrophobicContact CG-CD2 4.43Å; T113-L136 HydrophobicContact CG2-CB 4.23Å; T113-L136 HydrophobicContact CG2-CD2 3.69Å; F131-L136 HydrophobicContact CD2-CB 3.9Å; F131-L136 HydrophobicContact CE2-CB 3.47Å; F131-L136 VanDerWaalsContact CE2-CB 3.47Å; F131-L136 HydrophobicContact CE2-CD2 3.94Å; F131-L136 HydrophobicContact CE2-CG 4.3Å; F131-L136 HydrophobicContact CZ-CB 4.4Å; F131-L136 HydrophobicContact CZ-CD2 4.18Å; E132-L136 PolarHBondContact O-N 3.16Å; S133-L136 PolarHBondContact O-N 2.79Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.08Å; L136-L138 PolarHBondContact O-N 2.78Å; L136-H139 PolarHBondContact O-CD2 3.49Å; L136-H139 VanDerWaalsContact O-CD2 3.25Å; L136-H139 PolarHBondContact O-N 3.17Å; L136-V145 HydrophobicContact CB-CG2 3.97Å; L136-V145 HydrophobicContact CD1-CG1 4.19Å; L136-V145 HydrophobicContact CD1-CG2 3.91Å; L136-V145 HydrophobicContact CG-CG2 4.49Å |
| 137 | V | 97.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -31.3 | -170.5 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | D61 A109 R110 S133 E134 | D61-V137 WeakPolarHBondContact O-CG2 3.37Å; A109-V137 HydrophobicContact CB-CG1 4.2Å; A109-V137 HydrophobicContact CB-CG2 4.08Å; R110-V137 HydrophobicContact CB-CG2 4.47Å; R110-V137 HydrophobicContact CG-CB 4.04Å; R110-V137 HydrophobicContact CG-CG1 3.96Å; R110-V137 HydrophobicContact CG-CG2 3.79Å; S133-V137 WeakPolarHBondContact O-CB 3.39Å; S133-V137 WeakPolarHBondContact O-CG2 3.21Å; S133-V137 PolarHBondContact O-N 3.05Å; S133-V137 VanDerWaalsContact O-N 3.1Å; E134-V137 PolarHBondContact O-N 2.93Å |
| 138 | L | 96.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 8.7 | 175.9 | -57.9 | -179.3 | 0 | 0 | 0 | 113.2 | E134 L136 K140 | E134-L138 VanDerWaalsContact O-CB 3.3Å; E134-L138 WeakPolarHBondContact O-CB 3.43Å; E134-L138 PolarHBondContact O-N 3.26Å; E134-L138 VanDerWaalsContact OE2-CD1 3.28Å; E134-L138 WeakPolarHBondContact OE2-CD1 3.33Å; L136-L138 PolarHBondContact O-N 2.78Å; L138-K140 HydrophobicContact CB-CD 4.12Å; L138-K140 HydrophobicContact CB-CG 3.98Å; L138-K140 HydrophobicContact CD1-CD 4.36Å; L138-K140 PolarHBondContact O-N 3.41Å |
| 139 | H | 95.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 34% | 0.343 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.2 | 179.7 | -61.6 | -155.3 | 0 | 0 | 0 | 113.6 | M57 D61 G135 L136 | M57-H139 HydrophobicContact CE-CB 4.43Å; D61-H139 WeakPolarHBondContact CB-NE2 3.13Å; D61-H139 IonicContact OD2-CD2 3.91Å; D61-H139 IonicContact OD2-CE1 2.7Å; D61-H139 IonicContact OD2-NE2 2.79Å; D61-H139 PolarHBondContact OD2-NE2 3.43Å; G135-H139 CarbonylContact O-C 3.41Å; G135-H139 PolarHBondContact O-N 2.71Å; L136-H139 PolarHBondContact O-CD2 3.49Å; L136-H139 VanDerWaalsContact O-CD2 3.25Å; L136-H139 PolarHBondContact O-N 3.17Å |
| 140 | K | 93.6 | Very high | 96.8 | Very high | 154 Ų | 154 | 40.9 Ų | 40.9 | 67% | 0.67 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -87.6 | -21.3 | -178.2 | -67.6 | -177.8 | 177.9 | 178.6 | 0 | 114 | G135 L138 | G135-K140 PolarHBondContact O-N 3.43Å; L138-K140 HydrophobicContact CB-CD 4.12Å; L138-K140 HydrophobicContact CB-CG 3.98Å; L138-K140 HydrophobicContact CD1-CD 4.36Å; L138-K140 PolarHBondContact O-N 3.41Å |
| 141 | Q | 94.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | trans | -127 | 51.3 | -175.4 | -67.9 | -179.1 | -23.6 | 0 | 0 | 113.1 | G135 R143 E144 V145 | G135-Q141 PolarHBondContact O-N 2.9Å; Q141-R143 PolarHBondContact O-N 3.12Å; Q141-E144 VanDerWaalsContact CA-OE2 3.29Å; Q141-E144 WeakPolarHBondContact CA-OE2 3.49Å; Q141-E144 HydrophobicContact CB-CB 4.18Å; Q141-E144 HydrophobicContact CB-CG 4.42Å; Q141-E144 WeakPolarHBondContact CB-OE2 3.34Å; Q141-E144 PolarHBondContact O-N 3.14Å; Q141-V145 VanDerWaalsContact O-CG2 3.27Å; Q141-V145 WeakPolarHBondContact O-CG2 3.26Å; Q141-V145 PolarHBondContact O-N 3.24Å; Q141-V145 VanDerWaalsContact O-N 3.07Å | ||
| 142 | P | 95.6 | Very high | 96.8 | Very high | 33 Ų | 33 | 41 Ų | 41 | 21% | 0.214 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -31 | -177.7 | 26.8 | -35.3 | 0 | 0 | 0 | 112.9 | L32 M57 C146 | L32-P142 HydrophobicContact CD1-CB 4.02Å; L32-P142 HydrophobicContact CD1-CG 3.93Å; M57-P142 HydrophobicContact CE-CB 3.94Å; M57-P142 HydrophobicContact CG-CB 4.37Å; M57-P142 HydrophobicContact SD-CB 3.8Å; P142-C146 PolarHBondContact O-N 3.31Å; P142-C146 VanDerWaalsContact O-N 3.16Å; P142-C146 PolarHBondContact O-SG 3.21Å |
| 143 | R | 93.9 | Very high | 96.8 | Very high | 133 Ų | 133 | 35 Ų | 35 | 50% | 0.502 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.7 | -49 | 178.9 | 178.5 | 172.4 | -175.2 | -81.8 | -4.5 | 111 | L32 Q141 V145 C146 L147 | L32-R143 HydrophobicContact CD1-CB 3.98Å; L32-R143 HydrophobicContact CD2-CB 3.83Å; L32-R143 HydrophobicContact CD2-CG 3.88Å; Q141-R143 PolarHBondContact O-N 3.12Å; R143-V145 VanDerWaalsContact C-N 3.31Å; R143-V145 PolarHBondContact O-N 3.18Å; R143-C146 WeakPolarHBondContact O-CB 2.92Å; R143-C146 PolarHBondContact O-N 3.35Å; R143-C146 VanDerWaalsContact O-N 3.16Å; R143-L147 HydrophobicContact CG-CD1 4.11Å; R143-L147 HydrophobicContact CG-CG 4.48Å; R143-L147 WeakPolarHBondContact O-CG 3.28Å; R143-L147 PolarHBondContact O-N 3.25Å |
| 144 | E | 96 | Very high | 96.7 | Very high | 62 Ų | 62 | 35.9 Ų | 35.9 | 29% | 0.29 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.1 | -37.1 | -177.7 | -62.3 | 62.7 | -141.7 | 0 | 0 | 110.2 | F131 Q141 C146 L147 C148 | F131-E144 HydrophobicContact CB-CB 3.63Å; Q141-E144 VanDerWaalsContact CA-OE2 3.29Å; Q141-E144 WeakPolarHBondContact CA-OE2 3.49Å; Q141-E144 HydrophobicContact CB-CB 4.18Å; Q141-E144 HydrophobicContact CB-CG 4.42Å; Q141-E144 WeakPolarHBondContact CB-OE2 3.34Å; Q141-E144 PolarHBondContact O-N 3.14Å; E144-C146 PolarHBondContact O-N 3.25Å; E144-L147 PolarHBondContact O-N 2.93Å; E144-C148 WeakPolarHBondContact O-CB 3.36Å; E144-C148 PolarHBondContact O-N 2.8Å |
| 145 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 170.4 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | F56 M57 F131 L136 Q141 R143 L147 C148 L149 | F56-V145 HydrophobicContact CE1-CG1 4.2Å; M57-V145 HydrophobicContact CE-CG2 4.4Å; F131-V145 HydrophobicContact CB-CG2 4.25Å; F131-V145 HydrophobicContact CD1-CB 4.32Å; F131-V145 HydrophobicContact CD1-CG2 3.9Å; F131-V145 HydrophobicContact CD2-CG2 3.62Å; F131-V145 HydrophobicContact CE1-CB 4.49Å; F131-V145 HydrophobicContact CE1-CG2 4.12Å; F131-V145 HydrophobicContact CE2-CG2 3.9Å; F131-V145 HydrophobicContact CG-CB 4.49Å; F131-V145 HydrophobicContact CG-CG2 3.65Å; F131-V145 HydrophobicContact CZ-CG2 4.13Å; L136-V145 HydrophobicContact CB-CG2 3.97Å; L136-V145 HydrophobicContact CD1-CG1 4.19Å; L136-V145 HydrophobicContact CD1-CG2 3.91Å; L136-V145 HydrophobicContact CG-CG2 4.49Å; Q141-V145 VanDerWaalsContact O-CG2 3.27Å; Q141-V145 WeakPolarHBondContact O-CG2 3.26Å; Q141-V145 PolarHBondContact O-N 3.24Å; Q141-V145 VanDerWaalsContact O-N 3.07Å; R143-V145 VanDerWaalsContact C-N 3.31Å; R143-V145 PolarHBondContact O-N 3.18Å; V145-L147 PolarHBondContact O-N 2.62Å; V145-C148 PolarHBondContact O-N 2.77Å; V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 WeakPolarHBondContact O-CG 3.3Å; V145-L149 PolarHBondContact O-N 2.82Å; V145-L149 VanDerWaalsContact O-N 3.11Å |
| 146 | C | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.3 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | M35 L39 P142 R143 E144 L149 L150 | M35-C146 HydrophobicContact CB-CB 4.24Å; M35-C146 HydrophobicContact CE-CB 3.84Å; L39-C146 HydrophobicContact CD1-CB 3.68Å; L39-C146 WeakPolarHBondContact CD1-O 3.39Å; P142-C146 PolarHBondContact O-N 3.31Å; P142-C146 VanDerWaalsContact O-N 3.16Å; P142-C146 PolarHBondContact O-SG 3.21Å; R143-C146 WeakPolarHBondContact O-CB 2.92Å; R143-C146 PolarHBondContact O-N 3.35Å; R143-C146 VanDerWaalsContact O-N 3.16Å; E144-C146 PolarHBondContact O-N 3.25Å; C146-L149 PolarHBondContact O-N 3.3Å; C146-L150 WeakPolarHBondContact O-CB 3.43Å; C146-L150 WeakPolarHBondContact O-CG 3.18Å; C146-L150 PolarHBondContact O-N 3.02Å |
| 147 | L | 95.8 | Very high | 96.4 | Very high | 42 Ų | 42 | 33.9 Ų | 33.9 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 179.3 | -68.4 | 174.9 | 0 | 0 | 0 | 112.2 | M35 R143 E144 V145 L149 L150 E151 | M35-L147 HydrophobicContact CE-CD2 3.7Å; M35-L147 HydrophobicContact CE-CG 4.28Å; R143-L147 HydrophobicContact CG-CD1 4.11Å; R143-L147 HydrophobicContact CG-CG 4.48Å; R143-L147 WeakPolarHBondContact O-CG 3.28Å; R143-L147 PolarHBondContact O-N 3.25Å; E144-L147 PolarHBondContact O-N 2.93Å; V145-L147 PolarHBondContact O-N 2.62Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.49Å; L147-L150 PolarHBondContact O-N 2.7Å; L147-E151 PolarHBondContact O-N 3.06Å |
| 148 | C | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | C129 F131 E144 V145 E151 L152 | C129-C148 WeakPolarHBondContact O-CA 3.28Å; C129-C148 WeakPolarHBondContact O-CB 3.48Å; C129-C148 PolarHBondContact O-N 3.11Å; F131-C148 HydrophobicContact CD1-CB 3.63Å; F131-C148 HydrophobicContact CE1-CB 3.91Å; E144-C148 WeakPolarHBondContact O-CB 3.36Å; E144-C148 PolarHBondContact O-N 2.8Å; V145-C148 PolarHBondContact O-N 2.77Å; C148-E151 PolarHBondContact O-N 2.74Å; C148-L152 WeakPolarHBondContact O-CB 3.29Å; C148-L152 PolarHBondContact O-N 3.26Å |
| 149 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.4 | -34.3 | -179.2 | -69.5 | 171.9 | 0 | 0 | 0 | 112.6 | L39 L43 F56 L60 L66 L69 F116 V145 C146 L147 L152 G153 | L39-L149 HydrophobicContact CD1-CB 4.02Å; L39-L149 HydrophobicContact CD1-CD1 4.39Å; L39-L149 HydrophobicContact CD2-CB 3.79Å; L43-L149 HydrophobicContact CD1-CD1 4.33Å; F56-L149 HydrophobicContact CE1-CD1 4.46Å; F56-L149 HydrophobicContact CZ-CD1 3.73Å; L60-L149 HydrophobicContact CD1-CD1 4.31Å; L66-L149 HydrophobicContact CD2-CD2 4.09Å; L69-L149 HydrophobicContact CD2-CD2 3.73Å; F116-L149 HydrophobicContact CZ-CD2 4.06Å; V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 WeakPolarHBondContact O-CG 3.3Å; V145-L149 PolarHBondContact O-N 2.82Å; V145-L149 VanDerWaalsContact O-N 3.11Å; C146-L149 PolarHBondContact O-N 3.3Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.49Å; L149-L152 PolarHBondContact O-N 3.09Å; L149-G153 PolarHBondContact O-N 3.4Å |
| 150 | L | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 171.9 | -75.9 | 171.4 | 0 | 0 | 0 | 111.4 | M35 L39 C146 L147 L152 G153 R154 P164 L166 I167 | M35-L150 HydrophobicContact CE-CD1 3.34Å; L39-L150 HydrophobicContact CD1-CG 4.33Å; L39-L150 HydrophobicContact CD2-CD2 3.96Å; L39-L150 HydrophobicContact CD2-CG 4.11Å; L39-L150 HydrophobicContact CG-CD2 4.39Å; L39-L150 HydrophobicContact CG-CG 4.44Å; C146-L150 WeakPolarHBondContact O-CB 3.43Å; C146-L150 WeakPolarHBondContact O-CG 3.18Å; C146-L150 PolarHBondContact O-N 3.02Å; L147-L150 PolarHBondContact O-N 2.7Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-G153 CarbonylContact O-C 3.56Å; L150-G153 WeakPolarHBondContact O-CA 3.41Å; L150-G153 PolarHBondContact O-N 3.31Å; L150-G153 VanDerWaalsContact O-N 3.14Å; L150-R154 PolarHBondContact O-N 3.12Å; L150-P164 HydrophobicContact CD2-CB 4.09Å; L150-P164 HydrophobicContact CD2-CG 4.25Å; L150-L166 HydrophobicContact CD1-CD1 4.25Å; L150-L166 HydrophobicContact CD2-CB 4.12Å; L150-L166 HydrophobicContact CD2-CD1 4.21Å; L150-I167 HydrophobicContact CB-CD1 4.26Å; L150-I167 HydrophobicContact CD2-CD1 4.08Å; L150-I167 HydrophobicContact CD2-CG1 4.12Å |
| 151 | E | 97.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.1 | -175.1 | 55.2 | -153.4 | 0 | 0 | 111.4 | V125 C129 L147 C148 G153 R154 I155 | V125-E151 HydrophobicContact CG1-CB 4.33Å; V125-E151 HydrophobicContact CG1-CG 3.98Å; C129-E151 HydrophobicContact CB-CB 4.2Å; C129-E151 HydrophobicContact CB-CG 4.28Å; L147-E151 PolarHBondContact O-N 3.06Å; C148-E151 PolarHBondContact O-N 2.74Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 2.97Å; E151-R154 WeakPolarHBondContact O-CB 3.45Å; E151-R154 PolarHBondContact O-N 3.35Å; E151-R154 WeakPolarHBondContact OE2-CD 3.32Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NE 3.99Å; E151-R154 IonicContact OE2-NH1 2.96Å; E151-R154 PolarHBondContact OE2-NH1 3.24Å; E151-I155 PolarHBondContact O-N 2.91Å |
| 152 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -38.6 | 172.8 | -173.3 | 60.1 | 0 | 0 | 0 | 111.9 | L69 L73 F116 W119 V123 V125 C148 L149 L150 I155 A156 | L69-L152 HydrophobicContact CD2-CD2 3.98Å; L73-L152 HydrophobicContact CD1-CD1 4.06Å; L73-L152 HydrophobicContact CD1-CD2 3.64Å; L73-L152 HydrophobicContact CD1-CG 3.69Å; F116-L152 HydrophobicContact CE2-CD2 4.11Å; F116-L152 HydrophobicContact CZ-CD2 4.03Å; W119-L152 HydrophobicContact CH2-CD1 3.92Å; W119-L152 HydrophobicContact CZ3-CD1 3.68Å; W119-L152 HydrophobicContact CZ3-CD2 3.91Å; W119-L152 HydrophobicContact CZ3-CG 4.44Å; V123-L152 HydrophobicContact CG2-CD1 3.96Å; V125-L152 HydrophobicContact CG2-CB 4.46Å; V125-L152 HydrophobicContact CG2-CD1 4.25Å; C148-L152 WeakPolarHBondContact O-CB 3.29Å; C148-L152 PolarHBondContact O-N 3.26Å; L149-L152 PolarHBondContact O-N 3.09Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L152-I155 PolarHBondContact O-N 2.86Å; L152-A156 VanDerWaalsContact O-CB 3.25Å; L152-A156 WeakPolarHBondContact O-CB 3.49Å; L152-A156 PolarHBondContact O-N 2.86Å |
| 153 | G | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L149 L150 E151 A156 A157 | L149-G153 PolarHBondContact O-N 3.4Å; L150-G153 CarbonylContact O-C 3.56Å; L150-G153 WeakPolarHBondContact O-CA 3.41Å; L150-G153 PolarHBondContact O-N 3.31Å; L150-G153 VanDerWaalsContact O-N 3.14Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 2.97Å; G153-A156 PolarHBondContact O-N 2.84Å; G153-A157 WeakPolarHBondContact O-CB 3.22Å; G153-A157 PolarHBondContact O-N 2.92Å |
| 154 | R | 96.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 30.4 Ų | 30.4 | 19% | 0.185 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 173.4 | -67.2 | -172.6 | -171.7 | 93.7 | 5 | 111.7 | L150 E151 A157 I167 E170 | L150-R154 PolarHBondContact O-N 3.12Å; E151-R154 WeakPolarHBondContact O-CB 3.45Å; E151-R154 PolarHBondContact O-N 3.35Å; E151-R154 WeakPolarHBondContact OE2-CD 3.32Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NE 3.99Å; E151-R154 IonicContact OE2-NH1 2.96Å; E151-R154 PolarHBondContact OE2-NH1 3.24Å; R154-A157 WeakPolarHBondContact O-CB 3.36Å; R154-A157 PolarHBondContact O-N 2.97Å; R154-I167 HydrophobicContact CG-CD1 3.57Å; R154-I167 HydrophobicContact CG-CG1 4.08Å; R154-I167 HydrophobicContact CG-CG2 3.91Å; R154-E170 WeakPolarHBondContact CD-OE1 3.48Å; R154-E170 IonicContact CZ-OE1 3.18Å; R154-E170 IonicContact CZ-OE2 3.17Å; R154-E170 IonicContact NE-OE1 3.53Å; R154-E170 PolarHBondContact NE-OE1 2.88Å; R154-E170 IonicContact NE-OE2 2.95Å; R154-E170 PolarHBondContact NE-OE2 3.39Å; R154-E170 IonicContact NH2-OE1 2.76Å; R154-E170 IonicContact NH2-OE2 2.68Å; R154-E170 PolarHBondContact NH2-OE2 3.48Å |
| 155 | I | 95.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -49.9 | 177.9 | -65.4 | 170.8 | 0 | 0 | 0 | 109.2 | V125 E151 L152 A157 R158 F159 | V125-I155 HydrophobicContact CB-CD1 4.38Å; V125-I155 HydrophobicContact CG2-CD1 3.62Å; E151-I155 PolarHBondContact O-N 2.91Å; L152-I155 PolarHBondContact O-N 2.86Å; I155-A157 PolarHBondContact O-N 3.16Å; I155-R158 VanDerWaalsContact O-CB 3.29Å; I155-R158 WeakPolarHBondContact O-CB 3.45Å; I155-R158 PolarHBondContact O-N 3.18Å; I155-F159 HydrophobicContact CG2-CD2 4.43Å; I155-F159 HydrophobicContact CG2-CE2 4.11Å; I155-F159 WeakPolarHBondContact O-CD2 3.45Å |
| 156 | A | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.5 | -35.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L73 F77 L152 G153 R158 F159 G160 V161 | L73-A156 HydrophobicContact CD2-CB 3.91Å; F77-A156 HydrophobicContact CE1-CB 3.82Å; F77-A156 HydrophobicContact CZ-CB 3.98Å; L152-A156 VanDerWaalsContact O-CB 3.25Å; L152-A156 WeakPolarHBondContact O-CB 3.49Å; L152-A156 PolarHBondContact O-N 2.86Å; G153-A156 PolarHBondContact O-N 2.84Å; A156-R158 PolarHBondContact O-N 3.48Å; A156-F159 CarbonylContact O-C 3.6Å; A156-F159 WeakPolarHBondContact O-CA 3.44Å; A156-F159 PolarHBondContact O-N 3.39Å; A156-G160 PolarHBondContact O-N 3.45Å; A156-V161 HydrophobicContact CB-CB 3.85Å; A156-V161 HydrophobicContact CB-CG1 4.24Å; A156-V161 HydrophobicContact CB-CG2 4.24Å; A156-V161 WeakPolarHBondContact O-CB 3.46Å; A156-V161 PolarHBondContact O-N 3.12Å; A156-V161 VanDerWaalsContact O-N 3.12Å |
| 157 | A | 95.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -28.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | G153 R154 I155 F159 G160 V161 P163 K171 | G153-A157 WeakPolarHBondContact O-CB 3.22Å; G153-A157 PolarHBondContact O-N 2.92Å; R154-A157 WeakPolarHBondContact O-CB 3.36Å; R154-A157 PolarHBondContact O-N 2.97Å; I155-A157 PolarHBondContact O-N 3.16Å; A157-F159 PolarHBondContact O-N 3.07Å; A157-G160 PolarHBondContact O-N 2.95Å; A157-V161 VanDerWaalsContact CA-O 3.32Å; A157-V161 WeakPolarHBondContact CA-O 3.48Å; A157-P163 HydrophobicContact CB-CB 3.88Å; A157-P163 HydrophobicContact CB-CG 3.98Å; A157-K171 VanDerWaalsContact CB-NZ 3.29Å |
| 158 | R | 92.5 | Very high | 96.3 | Very high | 186 Ų | 186 | 30.3 Ų | 30.3 | 70% | 0.702 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -70 | -22.6 | 176.1 | -59.7 | 175.8 | -177.6 | 159.9 | 3.1 | 111.7 | I155 A156 | I155-R158 VanDerWaalsContact O-CB 3.29Å; I155-R158 WeakPolarHBondContact O-CB 3.45Å; I155-R158 PolarHBondContact O-N 3.18Å; A156-R158 PolarHBondContact O-N 3.48Å |
| 159 | F | 91.6 | Very high | 96.1 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 19% | 0.193 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 26.2 | 176.5 | -61.9 | -87.7 | 0 | 0 | 0 | 111.8 | F77 N80 L91 I155 A156 A157 V161 | F77-F159 HydrophobicContact CB-CD1 4.31Å; F77-F159 HydrophobicContact CB-CG 4.38Å; F77-F159 HydrophobicContact CD1-CB 3.45Å; F77-F159 VanDerWaalsContact CD1-CB 3.45Å; F77-F159 HydrophobicContact CD1-CD1 4.5Å; F77-F159 HydrophobicContact CD1-CD2 4.01Å; F77-F159 AromaticContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CE1-CB 3.95Å; F77-F159 HydrophobicContact CE1-CD2 4.1Å; F77-F159 HydrophobicContact CE1-CG 4.25Å; F77-F159 HydrophobicContact CG-CB 4.2Å; F77-F159 HydrophobicContact CG-CD1 4.45Å; F77-F159 HydrophobicContact CG-CD2 4.29Å; F77-F159 HydrophobicContact CG-CG 4.06Å; F77-F159 HydrophobicContact CZ-CD2 4.42Å; N80-F159 VanDerWaalsContact CB-O 3.29Å; N80-F159 WeakPolarHBondContact CB-O 3.5Å; N80-F159 PolarHBondContact ND2-O 2.8Å; L91-F159 HydrophobicContact CD1-CD2 4.21Å; L91-F159 HydrophobicContact CD1-CE1 4.08Å; L91-F159 HydrophobicContact CD1-CE2 3.47Å; L91-F159 VanDerWaalsContact CD1-CE2 3.47Å; L91-F159 HydrophobicContact CD1-CZ 3.39Å; L91-F159 HydrophobicContact CD2-CZ 4.33Å; L91-F159 HydrophobicContact CG-CE1 4.24Å; L91-F159 HydrophobicContact CG-CE2 4.21Å; L91-F159 HydrophobicContact CG-CZ 3.65Å; I155-F159 HydrophobicContact CG2-CD2 4.43Å; I155-F159 HydrophobicContact CG2-CE2 4.11Å; I155-F159 WeakPolarHBondContact O-CD2 3.45Å; A156-F159 CarbonylContact O-C 3.6Å; A156-F159 WeakPolarHBondContact O-CA 3.44Å; A156-F159 PolarHBondContact O-N 3.39Å; A157-F159 PolarHBondContact O-N 3.07Å; F159-V161 VanDerWaalsContact C-N 3.25Å; F159-V161 PolarHBondContact O-N 3.24Å |
| 160 | G | 92.1 | Very high | 96 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 62% | 0.619 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 6.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A156 A157 | A156-G160 PolarHBondContact O-N 3.45Å; A157-G160 PolarHBondContact O-N 2.95Å |
| 161 | V | 95.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 130.1 | 172.4 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | L46 L73 K76 F77 A156 A157 F159 P163 | L46-V161 HydrophobicContact CD2-CG1 3.91Å; L73-V161 HydrophobicContact CD2-CG1 4.01Å; L73-V161 HydrophobicContact CD2-CG2 4.26Å; K76-V161 HydrophobicContact CB-CG2 3.77Å; K76-V161 HydrophobicContact CD-CG1 4.23Å; K76-V161 HydrophobicContact CD-CG2 3.85Å; K76-V161 HydrophobicContact CG-CG2 4.46Å; F77-V161 HydrophobicContact CD1-CG2 4.32Å; F77-V161 HydrophobicContact CE1-CG2 4.04Å; A156-V161 HydrophobicContact CB-CB 3.85Å; A156-V161 HydrophobicContact CB-CG1 4.24Å; A156-V161 HydrophobicContact CB-CG2 4.24Å; A156-V161 WeakPolarHBondContact O-CB 3.46Å; A156-V161 PolarHBondContact O-N 3.12Å; A156-V161 VanDerWaalsContact O-N 3.12Å; A157-V161 VanDerWaalsContact CA-O 3.32Å; A157-V161 WeakPolarHBondContact CA-O 3.48Å; F159-V161 VanDerWaalsContact C-N 3.25Å; F159-V161 PolarHBondContact O-N 3.24Å; V161-P163 WeakPolarHBondContact O-CD 3.48Å |
| 162 | E | 96.3 | Very high | 95.6 | Very high | 124 Ų | 124 | 37.1 Ų | 37.1 | 58% | 0.579 | 18% | 0.184 | S | C | * | . | P | Polyproline II helix | trans | -59.4 | 122 | 178 | -171.2 | 65.9 | -175.6 | 0 | 0 | 110.7 | W42 K168 | W42-E162 PolarHBondContact NE1-O 2.81Å; E162-K168 WeakPolarHBondContact OE1-CE 3.22Å; E162-K168 IonicContact OE1-NZ 3.63Å; E162-K168 PolarHBondContact OE1-NZ 3.5Å |
| 163 | P | 97.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 169.3 | -174.2 | 32.5 | -34.7 | 0 | 0 | 0 | 113.1 | A157 V161 I167 K168 | A157-P163 HydrophobicContact CB-CB 3.88Å; A157-P163 HydrophobicContact CB-CG 3.98Å; V161-P163 WeakPolarHBondContact O-CD 3.48Å; P163-I167 HydrophobicContact CB-CB 3.96Å; P163-I167 HydrophobicContact CB-CG2 3.83Å; P163-I167 HydrophobicContact CG-CG2 4.29Å; P163-K168 HydrophobicContact CG-CG 3.84Å; P163-K168 WeakPolarHBondContact O-CE 3.3Å |
| 164 | P | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 154.5 | 168.7 | -21.2 | 31.3 | 0 | 0 | 0 | 112.5 | D38 L39 W42 L150 L166 I167 K168 | D38-P164 WeakPolarHBondContact OD2-CB 3.23Å; L39-P164 HydrophobicContact CD2-CB 4.48Å; L39-P164 HydrophobicContact CD2-CG 4.05Å; W42-P164 HydrophobicContact CB-CB 4.33Å; W42-P164 HydrophobicContact CB-CG 4.15Å; W42-P164 HydrophobicContact CD2-CG 3.65Å; W42-P164 HydrophobicContact CE3-CG 4.02Å; W42-P164 HydrophobicContact CG-CB 4.32Å; W42-P164 HydrophobicContact CG-CG 3.7Å; L150-P164 HydrophobicContact CD2-CB 4.09Å; L150-P164 HydrophobicContact CD2-CG 4.25Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.17Å; P164-I167 HydrophobicContact CB-CG1 4.4Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 PolarHBondContact O-N 3.41Å; P164-K168 PolarHBondContact O-N 3.38Å; P164-K168 VanDerWaalsContact O-N 3.16Å |
| 165 | G | 97.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.8 | -40.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | D38 I167 K168 L169 | D38-G165 VanDerWaalsContact CG-N 3.34Å; D38-G165 WeakPolarHBondContact OD1-CA 3.49Å; D38-G165 PolarHBondContact OD1-N 3.1Å; D38-G165 PolarHBondContact OD2-N 3.03Å; D38-G165 VanDerWaalsContact OD2-N 3.12Å; G165-I167 VanDerWaalsContact C-N 3.28Å; G165-I167 PolarHBondContact O-N 3.11Å; G165-K168 WeakPolarHBondContact O-CB 3.29Å; G165-K168 PolarHBondContact O-N 2.91Å; G165-K168 VanDerWaalsContact O-N 3.11Å; G165-L169 WeakPolarHBondContact O-CG 3.4Å; G165-L169 PolarHBondContact O-N 3.23Å |
| 166 | L | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -38 | 176.4 | -75.8 | 171.8 | 0 | 0 | 0 | 112.9 | M35 D38 L150 P164 L169 E170 L244 M250 W257 | M35-L166 HydrophobicContact CB-CD1 4.38Å; M35-L166 HydrophobicContact CG-CD1 3.91Å; D38-L166 HydrophobicContact CB-CD1 4.36Å; D38-L166 HydrophobicContact CB-CG 4.46Å; D38-L166 WeakPolarHBondContact OD2-CB 3.26Å; D38-L166 WeakPolarHBondContact OD2-CG 3.36Å; D38-L166 PolarHBondContact OD2-N 3.39Å; L150-L166 HydrophobicContact CD1-CD1 4.25Å; L150-L166 HydrophobicContact CD2-CB 4.12Å; L150-L166 HydrophobicContact CD2-CD1 4.21Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.17Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-E170 WeakPolarHBondContact O-CB 3.31Å; L166-E170 PolarHBondContact O-N 3.31Å; L166-L244 HydrophobicContact CD1-CD2 4.35Å; L166-L244 HydrophobicContact CD2-CD1 4.2Å; L166-L244 HydrophobicContact CD2-CD2 3.77Å; L166-L244 HydrophobicContact CD2-CG 4.46Å; L166-L244 HydrophobicContact CG-CD1 4.1Å; L166-L244 HydrophobicContact CG-CD2 3.85Å; L166-M250 HydrophobicContact CD2-CE 4.18Å; L166-M250 HydrophobicContact CD2-CG 4.24Å; L166-W257 HydrophobicContact CD2-CB 4.19Å; L166-W257 HydrophobicContact CD2-CD2 3.75Å; L166-W257 HydrophobicContact CD2-CE3 4.18Å; L166-W257 HydrophobicContact CD2-CG 3.76Å; L166-W257 VanDerWaalsContact O-CZ2 3.28Å; L166-W257 WeakPolarHBondContact O-CZ2 3.47Å; L166-W257 PolarHBondContact O-NE1 3.38Å |
| 167 | I | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73 | -32.6 | 177.8 | -57.9 | -48.9 | 0 | 0 | 0 | 111.1 | L150 R154 P163 P164 G165 E170 K171 | L150-I167 HydrophobicContact CB-CD1 4.26Å; L150-I167 HydrophobicContact CD2-CD1 4.08Å; L150-I167 HydrophobicContact CD2-CG1 4.12Å; R154-I167 HydrophobicContact CG-CD1 3.57Å; R154-I167 HydrophobicContact CG-CG1 4.08Å; R154-I167 HydrophobicContact CG-CG2 3.91Å; P163-I167 HydrophobicContact CB-CB 3.96Å; P163-I167 HydrophobicContact CB-CG2 3.83Å; P163-I167 HydrophobicContact CG-CG2 4.29Å; P164-I167 HydrophobicContact CB-CG1 4.4Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 PolarHBondContact O-N 3.41Å; G165-I167 VanDerWaalsContact C-N 3.28Å; G165-I167 PolarHBondContact O-N 3.11Å; I167-E170 WeakPolarHBondContact O-CB 3.37Å; I167-E170 PolarHBondContact O-N 3.24Å; I167-K171 PolarHBondContact O-N 3.47Å; I167-K171 VanDerWaalsContact O-N 3.11Å |
| 168 | K | 96.8 | Very high | 93.9 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 172.1 | -59.2 | -179.3 | -157 | -176.6 | 0 | 111.4 | E162 P163 P164 G165 E170 K171 E172 | E162-K168 WeakPolarHBondContact OE1-CE 3.22Å; E162-K168 IonicContact OE1-NZ 3.63Å; E162-K168 PolarHBondContact OE1-NZ 3.5Å; P163-K168 HydrophobicContact CG-CG 3.84Å; P163-K168 WeakPolarHBondContact O-CE 3.3Å; P164-K168 PolarHBondContact O-N 3.38Å; P164-K168 VanDerWaalsContact O-N 3.16Å; G165-K168 WeakPolarHBondContact O-CB 3.29Å; G165-K168 PolarHBondContact O-N 2.91Å; G165-K168 VanDerWaalsContact O-N 3.11Å; K168-E170 VanDerWaalsContact C-N 3.27Å; K168-E170 PolarHBondContact O-N 2.92Å; K168-K171 PolarHBondContact O-N 3.37Å; K168-E172 PolarHBondContact O-N 3.16Å |
| 169 | L | 95.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 175.8 | -65.1 | 176.6 | 0 | 0 | 0 | 111.6 | G165 L166 E172 I173 R242 L244 W257 | G165-L169 WeakPolarHBondContact O-CG 3.4Å; G165-L169 PolarHBondContact O-N 3.23Å; L166-L169 PolarHBondContact O-N 3.01Å; L169-E172 PolarHBondContact O-N 3.04Å; L169-I173 VanDerWaalsContact O-CG1 3.32Å; L169-I173 WeakPolarHBondContact O-CG1 3.45Å; L169-I173 PolarHBondContact O-N 2.73Å; L169-R242 HydrophobicContact CB-CG 4.41Å; L169-R242 HydrophobicContact CD1-CB 3.86Å; L169-R242 HydrophobicContact CD2-CB 3.98Å; L169-R242 HydrophobicContact CD2-CG 4.11Å; L169-R242 HydrophobicContact CG-CB 4.34Å; L169-L244 HydrophobicContact CD1-CB 4.17Å; L169-L244 HydrophobicContact CD1-CD1 4Å; L169-W257 HydrophobicContact CB-CH2 3.61Å; L169-W257 HydrophobicContact CB-CZ2 3.79Å |
| 170 | E | 95.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -50 | 176.8 | -174.9 | 177.8 | 98.2 | 0 | 0 | 110.3 | R154 L166 I167 K168 E172 I173 E174 W257 | R154-E170 WeakPolarHBondContact CD-OE1 3.48Å; R154-E170 IonicContact CZ-OE1 3.18Å; R154-E170 IonicContact CZ-OE2 3.17Å; R154-E170 IonicContact NE-OE1 3.53Å; R154-E170 PolarHBondContact NE-OE1 2.88Å; R154-E170 IonicContact NE-OE2 2.95Å; R154-E170 PolarHBondContact NE-OE2 3.39Å; R154-E170 IonicContact NH2-OE1 2.76Å; R154-E170 IonicContact NH2-OE2 2.68Å; R154-E170 PolarHBondContact NH2-OE2 3.48Å; L166-E170 WeakPolarHBondContact O-CB 3.31Å; L166-E170 PolarHBondContact O-N 3.31Å; I167-E170 WeakPolarHBondContact O-CB 3.37Å; I167-E170 PolarHBondContact O-N 3.24Å; K168-E170 VanDerWaalsContact C-N 3.27Å; K168-E170 PolarHBondContact O-N 2.92Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 3.23Å; E170-I173 WeakPolarHBondContact O-CB 3.42Å; E170-I173 PolarHBondContact O-N 3.35Å; E170-I173 VanDerWaalsContact O-N 3.14Å; E170-E174 WeakPolarHBondContact O-CG 3.29Å; E170-E174 PolarHBondContact O-N 3.09Å; E170-W257 HydrophobicContact CB-CZ2 3.96Å |
| 171 | K | 93.3 | Very high | 91.3 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.1 | -69.3 | -179.1 | 177.9 | -174.5 | 0 | 113.2 | A157 I167 K168 I173 E174 Q175 | A157-K171 VanDerWaalsContact CB-NZ 3.29Å; I167-K171 PolarHBondContact O-N 3.47Å; I167-K171 VanDerWaalsContact O-N 3.11Å; K168-K171 PolarHBondContact O-N 3.37Å; K171-I173 VanDerWaalsContact C-N 3.31Å; K171-I173 PolarHBondContact O-N 3.43Å; K171-E174 PolarHBondContact O-N 3.45Å; K171-Q175 WeakPolarHBondContact O-CB 3.27Å; K171-Q175 PolarHBondContact O-N 3.23Å |
| 172 | E | 93.4 | Very high | 89.3 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 174.6 | -177.7 | 177.2 | -160.8 | 0 | 0 | 110.7 | K168 L169 E170 E176 K196 R242 | K168-E172 PolarHBondContact O-N 3.16Å; L169-E172 PolarHBondContact O-N 3.04Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 3.23Å; E172-E176 WeakPolarHBondContact O-CG 3.31Å; E172-E176 PolarHBondContact O-N 3.24Å; E172-E176 VanDerWaalsContact O-N 3.12Å; E172-K196 IonicContact OE1-NZ 3.77Å; E172-K196 PolarHBondContact OE1-NZ 3.15Å; E172-K196 IonicContact OE2-NZ 3.05Å; E172-R242 IonicContact OE2-NE 3.72Å |
| 173 | I | 93.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.9 | -48.9 | 177.2 | -68.8 | 166.1 | 0 | 0 | 0 | 111.3 | L169 E170 K171 Q175 E176 E177 F240 R242 R252 W257 | L169-I173 VanDerWaalsContact O-CG1 3.32Å; L169-I173 WeakPolarHBondContact O-CG1 3.45Å; L169-I173 PolarHBondContact O-N 2.73Å; E170-I173 WeakPolarHBondContact O-CB 3.42Å; E170-I173 PolarHBondContact O-N 3.35Å; E170-I173 VanDerWaalsContact O-N 3.14Å; K171-I173 VanDerWaalsContact C-N 3.31Å; K171-I173 PolarHBondContact O-N 3.43Å; I173-Q175 PolarHBondContact O-N 3.3Å; I173-E176 WeakPolarHBondContact O-CB 3.06Å; I173-E176 PolarHBondContact O-N 2.96Å; I173-E177 HydrophobicContact CG2-CG 4.26Å; I173-E177 WeakPolarHBondContact O-CG 3.4Å; I173-E177 PolarHBondContact O-N 3.08Å; I173-F240 HydrophobicContact CB-CD1 4.38Å; I173-F240 HydrophobicContact CD1-CB 3.68Å; I173-F240 HydrophobicContact CD1-CG 4.45Å; I173-F240 HydrophobicContact CG1-CB 3.94Å; I173-F240 HydrophobicContact CG1-CD1 4.09Å; I173-F240 HydrophobicContact CG1-CG 4.25Å; I173-F240 HydrophobicContact CG2-CB 3.96Å; I173-F240 HydrophobicContact CG2-CD1 3.7Å; I173-F240 HydrophobicContact CG2-CD2 3.96Å; I173-F240 HydrophobicContact CG2-CE1 4.1Å; I173-F240 HydrophobicContact CG2-CE2 4.38Å; I173-F240 HydrophobicContact CG2-CG 3.61Å; I173-F240 HydrophobicContact CG2-CZ 4.46Å; I173-R242 HydrophobicContact CD1-CG 4.09Å; I173-R242 HydrophobicContact CG1-CG 4.41Å; I173-R252 HydrophobicContact CD1-CB 3.89Å; I173-R252 HydrophobicContact CD1-CG 4.37Å; I173-W257 HydrophobicContact CD1-CH2 3.48Å; I173-W257 VanDerWaalsContact CD1-CH2 3.48Å; I173-W257 HydrophobicContact CD1-CZ2 4.26Å; I173-W257 HydrophobicContact CD1-CZ3 4.18Å |
| 174 | E | 92.3 | Very high | 84.9 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.3 | -39.3 | 179.4 | -72.3 | 173.4 | 173.2 | 0 | 0 | 111.8 | E170 K171 T178 | E170-E174 WeakPolarHBondContact O-CG 3.29Å; E170-E174 PolarHBondContact O-N 3.09Å; K171-E174 PolarHBondContact O-N 3.45Å; E174-T178 WeakPolarHBondContact O-CB 3.26Å; E174-T178 PolarHBondContact O-N 3.19Å; E174-T178 PolarHBondContact O-OG1 2.95Å |
| 175 | Q | 91.1 | Very high | 82.4 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 61% | 0.612 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 175.4 | -172.6 | 176.4 | 11.2 | 0 | 0 | 111.7 | K171 I173 T178 L179 | K171-Q175 WeakPolarHBondContact O-CB 3.27Å; K171-Q175 PolarHBondContact O-N 3.23Å; I173-Q175 PolarHBondContact O-N 3.3Å; Q175-T178 PolarHBondContact O-N 2.68Å; Q175-L179 HydrophobicContact CG-CD1 4.29Å; Q175-L179 VanDerWaalsContact O-CG 3.27Å; Q175-L179 WeakPolarHBondContact O-CG 3.06Å; Q175-L179 PolarHBondContact O-N 3.05Å; Q175-L179 VanDerWaalsContact O-N 3.1Å |
| 176 | E | 90 | Very high | 80.2 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 22% | 0.22 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 176.8 | -77.1 | 177.6 | -151.1 | 0 | 0 | 113 | E172 I173 L179 S180 R231 F240 R242 | E172-E176 WeakPolarHBondContact O-CG 3.31Å; E172-E176 PolarHBondContact O-N 3.24Å; E172-E176 VanDerWaalsContact O-N 3.12Å; I173-E176 WeakPolarHBondContact O-CB 3.06Å; I173-E176 PolarHBondContact O-N 2.96Å; E176-L179 PolarHBondContact O-N 2.93Å; E176-S180 WeakPolarHBondContact O-CB 3.48Å; E176-S180 PolarHBondContact O-N 2.8Å; E176-S180 VanDerWaalsContact O-N 3.14Å; E176-S180 PolarHBondContact O-OG 2.97Å; E176-R231 VanDerWaalsContact C-NH2 3.31Å; E176-R231 PolarHBondContact O-NH2 2.98Å; E176-R231 IonicContact OE2-NE 2.81Å; E176-F240 HydrophobicContact CB-CE1 4.46Å; E176-R242 IonicContact OE1-CZ 3.71Å; E176-R242 IonicContact OE1-NH2 3.65Å; E176-R242 PolarHBondContact OE1-NH2 3.46Å; E176-R242 IonicContact OE2-CZ 3.4Å; E176-R242 IonicContact OE2-NH2 3.34Å; E176-R242 PolarHBondContact OE2-NH2 3.14Å |
| 177 | E | 88.4 | Confident | 77.4 | Confident | 95 Ų | 95 | 82.8 Ų | 82.8 | 44% | 0.444 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.5 | -75 | -179 | 134.2 | 0 | 0 | 110.9 | I173 L179 S180 A181 F240 | I173-E177 HydrophobicContact CG2-CG 4.26Å; I173-E177 WeakPolarHBondContact O-CG 3.4Å; I173-E177 PolarHBondContact O-N 3.08Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.06Å; E177-S180 PolarHBondContact O-N 3.32Å; E177-A181 PolarHBondContact O-N 3.33Å; E177-A181 VanDerWaalsContact O-N 3.15Å; E177-F240 HydrophobicContact CG-CE1 4.06Å; E177-F240 HydrophobicContact CG-CE2 3.66Å; E177-F240 HydrophobicContact CG-CZ 3.32Å; E177-F240 WeakPolarHBondContact OE1-CE2 3.49Å |
| 178 | T | 86.7 | Confident | 75.1 | Confident | 107 Ų | 107 | 89 Ų | 89 | 66% | 0.656 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.5 | -40.5 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | E174 Q175 S180 | E174-T178 WeakPolarHBondContact O-CB 3.26Å; E174-T178 PolarHBondContact O-N 3.19Å; E174-T178 PolarHBondContact O-OG1 2.95Å; Q175-T178 PolarHBondContact O-N 2.68Å; T178-S180 VanDerWaalsContact C-N 3.29Å; T178-S180 PolarHBondContact O-N 3.36Å |
| 179 | L | 82.8 | Confident | 72.4 | Confident | 133 Ų | 133 | 89.2 Ų | 89.2 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.2 | -20.5 | 177.6 | -68.4 | 169.7 | 0 | 0 | 0 | 113.8 | Q175 E176 E177 | Q175-L179 HydrophobicContact CG-CD1 4.29Å; Q175-L179 VanDerWaalsContact O-CG 3.27Å; Q175-L179 WeakPolarHBondContact O-CG 3.06Å; Q175-L179 PolarHBondContact O-N 3.05Å; Q175-L179 VanDerWaalsContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 2.93Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.06Å |
| 180 | S | 70.9 | Confident | 70 | Confident | 66 Ų | 66 | 93.9 Ų | 93.9 | 46% | 0.462 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -97.7 | -5.9 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | E176 E177 T178 R231 | E176-S180 WeakPolarHBondContact O-CB 3.48Å; E176-S180 PolarHBondContact O-N 2.8Å; E176-S180 VanDerWaalsContact O-N 3.14Å; E176-S180 PolarHBondContact O-OG 2.97Å; E177-S180 PolarHBondContact O-N 3.32Å; T178-S180 VanDerWaalsContact C-N 3.29Å; T178-S180 PolarHBondContact O-N 3.36Å; S180-R231 VanDerWaalsContact OG-CZ 3.3Å; S180-R231 PolarHBondContact OG-NH1 2.89Å; S180-R231 PolarHBondContact OG-NH2 3.19Å |
| 181 | A | 67.7 | Low | 67.2 | Low | 54 Ų | 54 | 99.6 Ų | 99.6 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -66.4 | 141.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | E177 L183 | E177-A181 PolarHBondContact O-N 3.33Å; E177-A181 VanDerWaalsContact O-N 3.15Å; A181-L183 PolarHBondContact O-N 3.36Å |
| 182 | P | 54.8 | Low | 64.8 | Low | 133 Ų | 133 | 104.4 Ų | 104.4 | 86% | 0.864 | 61% | 0.614 | S | S | * | * | trans | -68.4 | 103.6 | -178.8 | -3.7 | 17.2 | 0 | 0 | 0 | 109.7 | ||||
| 183 | L | 51.2 | Low | 62.4 | Low | 151 Ų | 151 | 106.9 Ų | 106.9 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | trans | -69.2 | 145.9 | 159.3 | -79.9 | 151 | 0 | 0 | 0 | 108.6 | A181 S185 | A181-L183 PolarHBondContact O-N 3.36Å; L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.9Å | ||
| 184 | P | 48.4 | Very low | 59.8 | Low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -72.5 | 77 | 173 | 30.2 | -32 | 0 | 0 | 0 | 111.3 | ||
| 185 | S | 45.8 | Very low | 57.2 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | trans | 53 | 167.3 | 156.8 | 51.4 | 0 | 0 | 0 | 0 | 120.8 | L183 | L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.9Å | ||
| 186 | P | 51.8 | Low | 55.1 | Low | 114 Ų | 114 | 110.8 Ų | 110.8 | 74% | 0.74 | 69% | 0.685 | S | S | * | * | cis | -121.1 | 146.1 | -45.6 | 35.4 | -21.6 | 0 | 0 | 0 | 111.5 | ||||
| 187 | S | 39.6 | Very low | 53.2 | Low | 116 Ų | 116 | 117.9 Ų | 117.9 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | -176.5 | 124 | 146.6 | -82.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 188 | P | 47.7 | Very low | 51.8 | Low | 133 Ų | 133 | 117.4 Ų | 117.4 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -92.1 | 111.3 | 175.9 | 33.3 | -25.1 | 0 | 0 | 0 | 109.5 | ||||
| 189 | S | 40.4 | Very low | 51 | Low | 91 Ų | 91 | 114.9 Ų | 114.9 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -112.2 | 119.5 | 157.7 | 57.4 | 0 | 0 | 0 | 0 | 108.7 | T191 | S189-T191 PolarHBondContact O-N 3.5Š| ||
| 190 | P | 45.2 | Very low | 50.8 | Low | 120 Ų | 120 | 108.9 Ų | 108.9 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | trans | -76.1 | 90.7 | 174.9 | 29.9 | -30.3 | 0 | 0 | 0 | 109 | K192 | P190-K192 VanDerWaalsContact C-N 3.26Å; P190-K192 PolarHBondContact O-N 3.24Å | ||
| 191 | T | 35.7 | Very low | 51.6 | Low | 131 Ų | 131 | 112.2 Ų | 112.2 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | -72.7 | 86.8 | 166.7 | 13.9 | 0 | 0 | 0 | 0 | 108.7 | S189 S193 | S189-T191 PolarHBondContact O-N 3.5Å; T191-S193 PolarHBondContact O-N 2.95Å; T191-S193 VanDerWaalsContact O-N 3.09Å | ||
| 192 | K | 43 | Very low | 52.7 | Low | 192 Ų | 192 | 114.4 Ų | 114.4 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | trans | -64.2 | 103.5 | 162.1 | -75.2 | 179.4 | 177.6 | 172.9 | 0 | 107.7 | P190 P194 | P190-K192 VanDerWaalsContact C-N 3.26Å; P190-K192 PolarHBondContact O-N 3.24Å; K192-P194 VanDerWaalsContact O-CD 3.28Å; K192-P194 WeakPolarHBondContact O-CD 3.44Å | ||
| 193 | S | 42.7 | Very low | 54.6 | Low | 103 Ų | 103 | 108.5 Ų | 108.5 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | trans | -65 | 117 | 165.8 | 53.4 | 0 | 0 | 0 | 0 | 109.4 | T191 | T191-S193 PolarHBondContact O-N 2.95Å; T191-S193 VanDerWaalsContact O-N 3.09Å | ||
| 194 | P | 40.2 | Very low | 56.6 | Low | 133 Ų | 133 | 102.7 Ų | 102.7 | 86% | 0.864 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -85.6 | 115.9 | 176.4 | 30.6 | -22.9 | 0 | 0 | 0 | 108.7 | K192 | K192-P194 VanDerWaalsContact O-CD 3.28Å; K192-P194 WeakPolarHBondContact O-CD 3.44Å |
| 195 | G | 37.9 | Very low | 58.8 | Low | 73 Ų | 73 | 100.9 Ų | 100.9 | 75% | 0.753 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 157.2 | -22.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 196 | K | 46.8 | Very low | 61.1 | Low | 103 Ų | 103 | 96.9 Ų | 96.9 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | trans | -109.6 | 22.3 | -166.8 | -93.3 | 179.7 | 174.8 | 175.9 | 0 | 116.6 | E172 S198 G200 | E172-K196 IonicContact OE1-NZ 3.77Å; E172-K196 PolarHBondContact OE1-NZ 3.15Å; E172-K196 IonicContact OE2-NZ 3.05Å; K196-S198 PolarHBondContact O-N 3.3Å; K196-G200 PolarHBondContact O-N 2.78Å | ||
| 197 | K | 49.5 | Very low | 63.2 | Low | 197 Ų | 197 | 91.6 Ų | 91.6 | 86% | 0.857 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -35.3 | -174.5 | -72.9 | -174.9 | 179.8 | 178.9 | 0 | 114.3 | K201 | K197-K201 PolarHBondContact O-N 3.29Å |
| 198 | S | 59.6 | Low | 65.8 | Low | 84 Ų | 84 | 91.8 Ų | 91.8 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.4 | -45.9 | -176.8 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | K196 G200 K201 L202 | K196-S198 PolarHBondContact O-N 3.3Å; S198-G200 VanDerWaalsContact C-N 3.33Å; S198-G200 PolarHBondContact O-N 2.83Å; S198-K201 PolarHBondContact O-N 3.48Å; S198-L202 PolarHBondContact O-N 3.32Å; S198-L202 VanDerWaalsContact O-N 3.11Å |
| 199 | T | 68.3 | Low | 67.9 | Low | 55 Ų | 55 | 90.9 Ų | 90.9 | 34% | 0.337 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -36 | 179.3 | -42.6 | 0 | 0 | 0 | 0 | 112 | L202 L203 | T199-L202 PolarHBondContact O-N 2.78Å; T199-L203 PolarHBondContact O-N 3.42Å |
| 200 | G | 79.6 | Confident | 70.4 | Confident | 6 Ų | 6 | 88.3 Ų | 88.3 | 6% | 0.062 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | K196 S198 L202 L203 D204 | K196-G200 PolarHBondContact O-N 2.78Å; S198-G200 VanDerWaalsContact C-N 3.33Å; S198-G200 PolarHBondContact O-N 2.83Å; G200-L202 PolarHBondContact O-N 2.83Å; G200-L203 PolarHBondContact O-N 3.43Å; G200-D204 VanDerWaalsContact O-CG 3.22Å; G200-D204 PolarHBondContact O-N 3.49Å |
| 201 | K | 87.2 | Confident | 72.5 | Confident | 137 Ų | 137 | 83.9 Ų | 83.9 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 177.4 | -169.3 | -177 | 175.7 | -170.1 | 0 | 112.3 | K197 S198 L203 D204 D205 | K197-K201 PolarHBondContact O-N 3.29Å; S198-K201 PolarHBondContact O-N 3.48Å; K201-L203 VanDerWaalsContact C-N 3.3Å; K201-L203 PolarHBondContact O-N 2.97Å; K201-D204 PolarHBondContact O-N 2.8Å; K201-D205 WeakPolarHBondContact O-CB 3.47Å; K201-D205 VanDerWaalsContact O-CG 3.24Å; K201-D205 PolarHBondContact O-N 2.68Å |
| 202 | L | 91.4 | Very high | 75 | Confident | 100 Ų | 100 | 82.8 Ų | 82.8 | 52% | 0.524 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 176 | -71.9 | 173.2 | 0 | 0 | 0 | 112.4 | S198 T199 G200 A206 | S198-L202 PolarHBondContact O-N 3.32Å; S198-L202 VanDerWaalsContact O-N 3.11Å; T199-L202 PolarHBondContact O-N 2.78Å; G200-L202 PolarHBondContact O-N 2.83Å; L202-A206 VanDerWaalsContact O-CB 3.31Å; L202-A206 WeakPolarHBondContact O-CB 3.34Å; L202-A206 PolarHBondContact O-N 3.4Å |
| 203 | L | 93.9 | Very high | 77 | Confident | 9 Ų | 9 | 77.2 Ų | 77.2 | 5% | 0.047 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.5 | 176.5 | 65.2 | 0 | 0 | 0 | 111.4 | T199 G200 K201 D205 A206 V207 Y232 I241 M243 V249 | T199-L203 PolarHBondContact O-N 3.42Å; G200-L203 PolarHBondContact O-N 3.43Å; K201-L203 VanDerWaalsContact C-N 3.3Å; K201-L203 PolarHBondContact O-N 2.97Å; L203-D205 PolarHBondContact O-N 2.9Å; L203-A206 PolarHBondContact O-N 2.81Å; L203-V207 HydrophobicContact CD1-CG2 4.01Å; L203-V207 HydrophobicContact CG-CG2 4.31Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.42Å; L203-V207 PolarHBondContact O-N 3.14Å; L203-Y232 HydrophobicContact CD2-CE2 4.36Å; L203-I241 HydrophobicContact CD1-CG2 4.11Å; L203-M243 HydrophobicContact CD1-CB 4.26Å; L203-M243 HydrophobicContact CD1-CE 4.39Å; L203-V249 HydrophobicContact CD1-CG1 4.05Å |
| 204 | D | 94.1 | Very high | 78.7 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 15% | 0.15 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 179.8 | -64.5 | -44.7 | 0 | 0 | 0 | 112 | G200 K201 A206 V207 K208 R226 Y232 | G200-D204 VanDerWaalsContact O-CG 3.22Å; G200-D204 PolarHBondContact O-N 3.49Å; K201-D204 PolarHBondContact O-N 2.8Å; D204-A206 VanDerWaalsContact C-N 3.32Å; D204-A206 PolarHBondContact O-N 2.88Å; D204-V207 PolarHBondContact O-N 2.93Å; D204-K208 WeakPolarHBondContact O-CB 3.39Å; D204-K208 PolarHBondContact O-N 2.59Å; D204-R226 VanDerWaalsContact CG-NH1 3.32Å; D204-R226 VanDerWaalsContact OD1-CD 3.28Å; D204-R226 WeakPolarHBondContact OD1-CD 3.5Å; D204-R226 IonicContact OD1-CZ 3.94Å; D204-R226 IonicContact OD1-NE 2.73Å; D204-R226 PolarHBondContact OD1-NE 3.39Å; D204-R226 IonicContact OD1-NH1 3.14Å; D204-R226 IonicContact OD2-CZ 3.73Å; D204-R226 IonicContact OD2-NE 3.99Å; D204-R226 IonicContact OD2-NH1 3.08Å; D204-R226 PolarHBondContact OD2-NH1 3.31Å; D204-R226 IonicContact OD2-NH2 2.71Å; D204-R226 PolarHBondContact OD2-NH2 3.5Å; D204-Y232 PolarHBondContact OD1-OH 2.87Å |
| 205 | D | 94.3 | Very high | 80.5 | Confident | 84 Ų | 84 | 74.3 Ų | 74.3 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 178.2 | -69.1 | -21.5 | 0 | 0 | 0 | 110.5 | K201 L203 H209 | K201-D205 WeakPolarHBondContact O-CB 3.47Å; K201-D205 VanDerWaalsContact O-CG 3.24Å; K201-D205 PolarHBondContact O-N 2.68Å; L203-D205 PolarHBondContact O-N 2.9Å; D205-H209 WeakPolarHBondContact O-CB 3.35Å; D205-H209 PolarHBondContact O-N 3.23Å |
| 206 | A | 94.8 | Very high | 82.4 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 21% | 0.207 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L202 L203 D204 K208 H209 I210 M243 V249 | L202-A206 VanDerWaalsContact O-CB 3.31Å; L202-A206 WeakPolarHBondContact O-CB 3.34Å; L202-A206 PolarHBondContact O-N 3.4Å; L203-A206 PolarHBondContact O-N 2.81Å; D204-A206 VanDerWaalsContact C-N 3.32Å; D204-A206 PolarHBondContact O-N 2.88Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-H209 PolarHBondContact O-N 3.43Å; A206-I210 WeakPolarHBondContact O-CB 3.35Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 3.44Å; A206-M243 HydrophobicContact CB-CE 3.74Å; A206-V249 HydrophobicContact CB-CG2 3.65Å |
| 207 | V | 95.4 | Very high | 83.9 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.7 | 167.9 | 0 | 0 | 0 | 0 | 110.2 | L203 D204 I210 S211 V224 Y232 I241 V249 F260 | L203-V207 HydrophobicContact CD1-CG2 4.01Å; L203-V207 HydrophobicContact CG-CG2 4.31Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.42Å; L203-V207 PolarHBondContact O-N 3.14Å; D204-V207 PolarHBondContact O-N 2.93Å; V207-I210 PolarHBondContact O-N 3.36Å; V207-S211 WeakPolarHBondContact O-CB 3.37Å; V207-S211 PolarHBondContact O-N 3.27Å; V207-S211 PolarHBondContact O-OG 3.39Å; V207-V224 HydrophobicContact CG1-CG1 3.89Å; V207-Y232 HydrophobicContact CB-CE1 4.24Å; V207-Y232 HydrophobicContact CG1-CD1 3.96Å; V207-Y232 HydrophobicContact CG1-CE1 3.81Å; V207-Y232 HydrophobicContact CG2-CE1 4.34Å; V207-Y232 HydrophobicContact CG2-CE2 4.39Å; V207-I241 HydrophobicContact CG2-CD1 4.35Å; V207-I241 HydrophobicContact CG2-CG2 3.96Å; V207-V249 HydrophobicContact CG2-CG1 3.84Å; V207-F260 HydrophobicContact CB-CE1 4.4Å; V207-F260 HydrophobicContact CG1-CD1 4.4Å; V207-F260 HydrophobicContact CG1-CE1 3.74Å; V207-F260 HydrophobicContact CG1-CZ 4.09Å |
| 208 | K | 93.3 | Very high | 85.3 | Confident | 119 Ų | 119 | 70.4 Ų | 70.4 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.7 | -52.2 | 176.2 | -175.1 | -179.5 | 177.4 | -174.8 | 0 | 110.9 | D204 A206 I210 S211 E212 | D204-K208 WeakPolarHBondContact O-CB 3.39Å; D204-K208 PolarHBondContact O-N 2.59Å; A206-K208 VanDerWaalsContact C-N 3.33Å; K208-I210 PolarHBondContact O-N 3.01Å; K208-S211 PolarHBondContact O-N 3.48Å; K208-S211 VanDerWaalsContact O-N 3.15Å; K208-S211 PolarHBondContact O-OG 3.25Å; K208-E212 WeakPolarHBondContact CE-OE1 3.44Å; K208-E212 WeakPolarHBondContact CE-OE2 3.22Å; K208-E212 HydrophobicContact CG-CG 4.46Å; K208-E212 WeakPolarHBondContact CG-OE1 3.47Å; K208-E212 WeakPolarHBondContact O-CG 3.3Å; K208-E212 PolarHBondContact O-N 2.97Å |
| 209 | H | 93.1 | Very high | 86.2 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.1 | -48.5 | 178.1 | -179.9 | -74.4 | 0 | 0 | 0 | 112.2 | D205 A206 S211 E212 D213 | D205-H209 WeakPolarHBondContact O-CB 3.35Å; D205-H209 PolarHBondContact O-N 3.23Å; A206-H209 PolarHBondContact O-N 3.43Å; H209-S211 VanDerWaalsContact C-N 3.32Å; H209-S211 PolarHBondContact O-N 3.04Å; H209-E212 PolarHBondContact O-N 3.04Å; H209-D213 IonicContact CE1-OD2 3.83Å; H209-D213 VanDerWaalsContact O-CB 3.31Å; H209-D213 WeakPolarHBondContact O-CB 3.28Å; H209-D213 PolarHBondContact O-N 3Å |
| 210 | I | 92.3 | Very high | 86.6 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 179.7 | -68.1 | 166.8 | 0 | 0 | 0 | 111.4 | A206 V207 K208 E212 V249 F260 A261 L264 R271 | A206-I210 WeakPolarHBondContact O-CB 3.35Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 3.44Å; V207-I210 PolarHBondContact O-N 3.36Å; K208-I210 PolarHBondContact O-N 3.01Å; I210-E212 VanDerWaalsContact C-N 3.33Å; I210-V249 HydrophobicContact CD1-CB 3.72Å; I210-V249 HydrophobicContact CD1-CG1 4.34Å; I210-V249 HydrophobicContact CD1-CG2 3.61Å; I210-F260 HydrophobicContact CB-CD1 3.91Å; I210-F260 HydrophobicContact CB-CE1 4.25Å; I210-F260 HydrophobicContact CD1-CD1 4.29Å; I210-F260 HydrophobicContact CG2-CD1 3.55Å; I210-F260 HydrophobicContact CG2-CE1 4.02Å; I210-F260 HydrophobicContact CG2-CG 4.43Å; I210-A261 HydrophobicContact CG2-CB 3.94Å; I210-L264 HydrophobicContact CG2-CD1 4.06Å; I210-R271 PolarHBondContact O-NH2 2.08Å |
| 211 | S | 90.4 | Very high | 86.6 | Confident | 28 Ų | 28 | 83.5 Ų | 83.5 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68 | -32.9 | 179.5 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | V207 K208 H209 R271 | V207-S211 WeakPolarHBondContact O-CB 3.37Å; V207-S211 PolarHBondContact O-N 3.27Å; V207-S211 PolarHBondContact O-OG 3.39Å; K208-S211 PolarHBondContact O-N 3.48Å; K208-S211 VanDerWaalsContact O-N 3.15Å; K208-S211 PolarHBondContact O-OG 3.25Å; H209-S211 VanDerWaalsContact C-N 3.32Å; H209-S211 PolarHBondContact O-N 3.04Å; S211-R271 PolarHBondContact O-NH2 3.38Å |
| 212 | E | 87.6 | Confident | 86.5 | Confident | 107 Ų | 107 | 79.3 Ų | 79.3 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -92.2 | -14.8 | -175.7 | -67.3 | 174.7 | 175.2 | 0 | 0 | 113.4 | K208 H209 I210 P214 P215 | K208-E212 WeakPolarHBondContact CE-OE1 3.44Å; K208-E212 WeakPolarHBondContact CE-OE2 3.22Å; K208-E212 HydrophobicContact CG-CG 4.46Å; K208-E212 WeakPolarHBondContact CG-OE1 3.47Å; K208-E212 WeakPolarHBondContact O-CG 3.3Å; K208-E212 PolarHBondContact O-N 2.97Å; H209-E212 PolarHBondContact O-N 3.04Å; I210-E212 VanDerWaalsContact C-N 3.33Å; E212-P214 CarbonylContact O-C 3.09Å; E212-P215 WeakPolarHBondContact O-CA 3.49Å; E212-P215 VanDerWaalsContact O-N 3.07Å |
| 213 | D | 84.1 | Confident | 86.3 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 40% | 0.401 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -106.2 | 121.3 | -179.6 | -176.3 | 31.6 | 0 | 0 | 0 | 112.7 | H209 R271 | H209-D213 IonicContact CE1-OD2 3.83Å; H209-D213 VanDerWaalsContact O-CB 3.31Å; H209-D213 WeakPolarHBondContact O-CB 3.28Å; H209-D213 PolarHBondContact O-N 3Å; D213-R271 VanDerWaalsContact O-CZ 3.29Å; D213-R271 PolarHBondContact O-NH1 3.44Å; D213-R271 PolarHBondContact O-NH2 2.81Å |
| 214 | P | 78.9 | Confident | 86.3 | Confident | 64 Ų | 64 | 79 Ų | 79 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | S | Bend | cis | -75.7 | 151.1 | -2.6 | 31.6 | -34.8 | 0 | 0 | 0 | 112.4 | E212 C216 | E212-P214 CarbonylContact O-C 3.09Å; P214-C216 PolarHBondContact O-N 3.06Å; P214-C216 VanDerWaalsContact O-N 3.15Å |
| 215 | P | 78.2 | Confident | 86.2 | Confident | 111 Ų | 111 | 82 Ų | 82 | 72% | 0.721 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 120.1 | -177.8 | 23.2 | -32.8 | 0 | 0 | 0 | 110.9 | E212 | E212-P215 WeakPolarHBondContact O-CA 3.49Å; E212-P215 VanDerWaalsContact O-N 3.07Å |
| 216 | C | 77.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 83.9 Ų | 83.9 | 26% | 0.264 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 136.5 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | P214 C218 | P214-C216 PolarHBondContact O-N 3.06Å; P214-C216 VanDerWaalsContact O-N 3.15Å; C216-C218 VanDerWaalsContact C-N 3.34Å |
| 217 | K | 78.9 | Confident | 86.2 | Confident | 213 Ų | 213 | 86 Ų | 86 | 93% | 0.926 | 44% | 0.444 | S | S | * | . | trans | -96.8 | 13.9 | 172.2 | -59.4 | -176.8 | -178.7 | -177.8 | 0 | 112.3 | ||||
| 218 | C | 79.9 | Confident | 86 | Confident | 40 Ų | 40 | 88.1 Ų | 88.1 | 27% | 0.27 | 46% | 0.46 | S | S | . | . | trans | -63.7 | 136.5 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | C216 N220 C270 | C216-C218 VanDerWaalsContact C-N 3.34Å; C218-N220 VanDerWaalsContact C-N 3.29Å; C218-N220 PolarHBondContact O-N 2.65Å; C218-C270 WeakPolarHBondContact CB-SG 3.43Å; C218-C270 WeakPolarHBondContact SG-CB 3.31Å; C218-C270 CovalentContact SG-SG 2.08Å; C218-C270 PolarHBondContact SG-SG 3.47Å | ||
| 219 | P | 77.3 | Confident | 85.9 | Confident | 132 Ų | 132 | 86.4 Ų | 86.4 | 86% | 0.857 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -64 | -36.2 | 178.8 | 24 | -32.4 | 0 | 0 | 0 | 111.9 | ||
| 220 | N | 77.3 | Confident | 85.9 | Confident | 143 Ų | 143 | 81 Ų | 81 | 77% | 0.765 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -108.5 | 112.9 | 169.7 | -67.8 | -26.6 | 0 | 0 | 0 | 108.6 | C218 | C218-N220 VanDerWaalsContact C-N 3.29Å; C218-N220 PolarHBondContact O-N 2.65Å |
| 221 | K | 80.3 | Confident | 86 | Confident | 144 Ų | 144 | 81.5 Ų | 81.5 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 146.5 | 176 | -60.9 | -172.2 | 177.7 | 178.3 | 0 | 110 | C223 | K221-C223 PolarHBondContact O-N 3.43Š|
| 222 | F | 84.5 | Confident | 86.3 | Confident | 50 Ų | 50 | 80.4 Ų | 80.4 | 22% | 0.219 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 121.9 | 170.5 | -170.5 | -112.6 | 0 | 0 | 0 | 109.4 | V224 V234 L264 H267 D268 | F222-V224 HydrophobicContact CD1-CG2 4.48Å; F222-V224 PolarHBondContact O-N 2.6Å; F222-V234 HydrophobicContact CD1-CG1 4.44Å; F222-V234 HydrophobicContact CE1-CG1 3.49Å; F222-V234 VanDerWaalsContact CE1-CG1 3.49Å; F222-V234 HydrophobicContact CZ-CG1 4.07Å; F222-L264 HydrophobicContact CD1-CD2 3.85Å; F222-L264 HydrophobicContact CE1-CD2 3.69Å; F222-H267 WeakPolarHBondContact CE2-O 3.42Å; F222-H267 HydrophobicContact CZ-CB 4.2Å; F222-D268 HydrophobicContact CB-CB 4.12Å; F222-D268 WeakPolarHBondContact CB-OD1 3.22Å; F222-D268 HydrophobicContact CD1-CB 3.84Å; F222-D268 HydrophobicContact CE1-CB 4.35Å; F222-D268 HydrophobicContact CG-CB 3.92Å |
| 223 | C | 86.9 | Confident | 86.6 | Confident | 61 Ų | 61 | 79.8 Ų | 79.8 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 126.8 | -170.7 | -174 | 0 | 0 | 0 | 0 | 110.8 | K221 V234 G235 | K221-C223 PolarHBondContact O-N 3.43Å; C223-V234 CarbonylContact O-C 3.57Å; C223-V234 WeakPolarHBondContact O-CA 3.42Å; C223-G235 PolarHBondContact O-N 3.45Å |
| 224 | V | 93.5 | Very high | 87.1 | Confident | 42 Ų | 42 | 76.3 Ų | 76.3 | 26% | 0.255 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 104.7 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | V207 F222 R233 V234 F260 L264 | V207-V224 HydrophobicContact CG1-CG1 3.89Å; F222-V224 HydrophobicContact CD1-CG2 4.48Å; F222-V224 PolarHBondContact O-N 2.6Å; V224-R233 CarbonylContact C-O 3.47Å; V224-R233 WeakPolarHBondContact CA-O 3.4Å; V224-V234 HydrophobicContact CG1-CG2 4.37Å; V224-V234 HydrophobicContact CG2-CG1 4.36Å; V224-F260 HydrophobicContact CG1-CZ 3.87Å; V224-F260 HydrophobicContact CG2-CZ 4.16Å; V224-L264 HydrophobicContact CG2-CD2 4.36Å |
| 225 | E | 93.3 | Very high | 87.6 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.7 | -174.6 | -175.6 | -170.8 | 179.8 | 0 | 0 | 109.9 | Y232 R233 | E225-Y232 CarbonylContact O-C 3.52Å; E225-Y232 VanDerWaalsContact O-CA 3.23Å; E225-Y232 WeakPolarHBondContact O-CA 3.5Å; E225-R233 HydrophobicContact CB-CB 4.33Å; E225-R233 PolarHBondContact N-O 3.36Å; E225-R233 PolarHBondContact O-N 3Å; E225-R233 IonicContact OE1-NH1 2.77Å; E225-R233 IonicContact OE2-CZ 2.69Å; E225-R233 IonicContact OE2-NH1 3.9Å; E225-R233 PolarHBondContact OE2-NH1 3.18Å |
| 226 | R | 94.9 | Very high | 88.2 | Confident | 123 Ų | 123 | 78.3 Ų | 78.3 | 46% | 0.464 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.9 | 174.4 | -177.5 | -169.8 | 177.6 | 176.7 | 6.9 | 110 | D204 S228 Y232 | D204-R226 VanDerWaalsContact CG-NH1 3.32Å; D204-R226 VanDerWaalsContact OD1-CD 3.28Å; D204-R226 WeakPolarHBondContact OD1-CD 3.5Å; D204-R226 IonicContact OD1-CZ 3.94Å; D204-R226 IonicContact OD1-NE 2.73Å; D204-R226 PolarHBondContact OD1-NE 3.39Å; D204-R226 IonicContact OD1-NH1 3.14Å; D204-R226 IonicContact OD2-CZ 3.73Å; D204-R226 IonicContact OD2-NE 3.99Å; D204-R226 IonicContact OD2-NH1 3.08Å; D204-R226 PolarHBondContact OD2-NH1 3.31Å; D204-R226 IonicContact OD2-NH2 2.71Å; D204-R226 PolarHBondContact OD2-NH2 3.5Å; R226-S228 WeakPolarHBondContact CG-O 3.5Å; R226-S228 PolarHBondContact NE-O 3.28Å; R226-Y232 HydrophobicContact CB-CD1 3.85Å; R226-Y232 HydrophobicContact CB-CE1 3.7Å; R226-Y232 HydrophobicContact CG-CD1 4.25Å; R226-Y232 HydrophobicContact CG-CE1 3.83Å |
| 227 | L | 92.9 | Very high | 88.9 | Confident | 69 Ų | 69 | 82.1 Ų | 82.1 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -48.9 | 173.8 | -57.3 | 178.6 | 0 | 0 | 0 | 111.2 | R231 R233 I238 | L227-R231 HydrophobicContact CB-CB 4.4Å; L227-R231 PolarHBondContact N-O 3.04Å; L227-R233 HydrophobicContact CD1-CB 4.22Å; L227-R233 HydrophobicContact CD2-CB 4.12Å; L227-R233 HydrophobicContact CG-CB 4.21Å; L227-I238 HydrophobicContact CD1-CD1 3.99Å; L227-I238 HydrophobicContact CD1-CG1 3.98Å; L227-I238 HydrophobicContact CD1-CG2 3.96Å |
| 228 | S | 91.8 | Very high | 89.5 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | -177.6 | 176 | 68 | 0 | 0 | 0 | 0 | 109.5 | R226 G230 R231 | R226-S228 WeakPolarHBondContact CG-O 3.5Å; R226-S228 PolarHBondContact NE-O 3.28Å; S228-G230 PolarHBondContact O-N 3.46Å; S228-G230 VanDerWaalsContact O-N 3.1Å; S228-R231 PolarHBondContact N-O 2.93Å; S228-R231 PolarHBondContact O-N 3.11Å; S228-R231 WeakPolarHBondContact OG-CB 3.45Å; S228-R231 WeakPolarHBondContact OG-CD 3.4Å; S228-R231 WeakPolarHBondContact OG-CG 3.5Å |
| 229 | Q | 90.9 | Very high | 90.2 | Very high | 84 Ų | 84 | 75.4 Ų | 75.4 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 122.3 | 173.3 | 180 | 170.3 | -18.1 | 0 | 0 | 110.1 | R231 | Q229-R231 PolarHBondContact O-N 3.49Å; Q229-R231 VanDerWaalsContact O-N 3.16Å |
| 230 | G | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S228 F240 I241 R242 | S228-G230 PolarHBondContact O-N 3.46Å; S228-G230 VanDerWaalsContact O-N 3.1Å; G230-F240 CarbonylContact O-C 3.54Å; G230-F240 WeakPolarHBondContact O-CA 3.37Å; G230-I241 VanDerWaalsContact CA-O 3.29Å; G230-I241 WeakPolarHBondContact CA-O 3.41Å; G230-I241 PolarHBondContact O-N 3.35Å; G230-R242 VanDerWaalsContact CA-NH1 3.28Å; G230-R242 PolarHBondContact O-NH1 3.41Å |
| 231 | R | 94.9 | Very high | 92 | Very high | 47 Ų | 47 | 63.4 Ų | 63.4 | 18% | 0.177 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.6 | 174.9 | -61.9 | -174.1 | -178 | 179.8 | -9.5 | 110.2 | E176 S180 L227 S228 Q229 L239 F240 | E176-R231 VanDerWaalsContact C-NH2 3.31Å; E176-R231 PolarHBondContact O-NH2 2.98Å; E176-R231 IonicContact OE2-NE 2.81Å; S180-R231 VanDerWaalsContact OG-CZ 3.3Å; S180-R231 PolarHBondContact OG-NH1 2.89Å; S180-R231 PolarHBondContact OG-NH2 3.19Å; L227-R231 HydrophobicContact CB-CB 4.4Å; L227-R231 PolarHBondContact N-O 3.04Å; S228-R231 PolarHBondContact N-O 2.93Å; S228-R231 PolarHBondContact O-N 3.11Å; S228-R231 WeakPolarHBondContact OG-CB 3.45Å; S228-R231 WeakPolarHBondContact OG-CD 3.4Å; S228-R231 WeakPolarHBondContact OG-CG 3.5Å; Q229-R231 PolarHBondContact O-N 3.49Å; Q229-R231 VanDerWaalsContact O-N 3.16Å; R231-L239 WeakPolarHBondContact CA-O 3.47Å; R231-F240 HydrophobicContact CG-CD1 3.94Å; R231-F240 HydrophobicContact CG-CE1 3.75Å; R231-F240 HydrophobicContact CG-CZ 4.33Å |
| 232 | Y | 95.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139.1 | -176.2 | -60.7 | -100.8 | 0 | 0 | 0 | 110.1 | L203 D204 V207 E225 R226 I238 L239 I241 | L203-Y232 HydrophobicContact CD2-CE2 4.36Å; D204-Y232 PolarHBondContact OD1-OH 2.87Å; V207-Y232 HydrophobicContact CB-CE1 4.24Å; V207-Y232 HydrophobicContact CG1-CD1 3.96Å; V207-Y232 HydrophobicContact CG1-CE1 3.81Å; V207-Y232 HydrophobicContact CG2-CE1 4.34Å; V207-Y232 HydrophobicContact CG2-CE2 4.39Å; E225-Y232 CarbonylContact O-C 3.52Å; E225-Y232 VanDerWaalsContact O-CA 3.23Å; E225-Y232 WeakPolarHBondContact O-CA 3.5Å; R226-Y232 HydrophobicContact CB-CD1 3.85Å; R226-Y232 HydrophobicContact CB-CE1 3.7Å; R226-Y232 HydrophobicContact CG-CD1 4.25Å; R226-Y232 HydrophobicContact CG-CE1 3.83Å; Y232-I238 CarbonylContact O-C 3.57Å; Y232-I238 WeakPolarHBondContact O-CA 3.35Å; Y232-L239 PolarHBondContact N-O 2.82Å; Y232-L239 PolarHBondContact O-N 3.22Å; Y232-I241 HydrophobicContact CD2-CB 3.73Å; Y232-I241 HydrophobicContact CD2-CD1 3.48Å; Y232-I241 VanDerWaalsContact CD2-CD1 3.48Å; Y232-I241 HydrophobicContact CD2-CG1 3.56Å; Y232-I241 HydrophobicContact CE2-CB 3.83Å; Y232-I241 HydrophobicContact CE2-CD1 4.17Å; Y232-I241 HydrophobicContact CE2-CG1 4.19Å; Y232-I241 HydrophobicContact CG-CD1 3.73Å; Y232-I241 HydrophobicContact CG-CG1 4.26Å |
| 233 | R | 95.6 | Very high | 93.3 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.2 | 163.1 | 177.9 | -179.2 | -65.9 | 123.3 | 0 | 107.5 | V224 E225 L227 G235 K237 | V224-R233 CarbonylContact C-O 3.47Å; V224-R233 WeakPolarHBondContact CA-O 3.4Å; E225-R233 HydrophobicContact CB-CB 4.33Å; E225-R233 PolarHBondContact N-O 3.36Å; E225-R233 PolarHBondContact O-N 3Å; E225-R233 IonicContact OE1-NH1 2.77Å; E225-R233 IonicContact OE2-CZ 2.69Å; E225-R233 IonicContact OE2-NH1 3.9Å; E225-R233 PolarHBondContact OE2-NH1 3.18Å; L227-R233 HydrophobicContact CD1-CB 4.22Å; L227-R233 HydrophobicContact CD2-CB 4.12Å; L227-R233 HydrophobicContact CG-CB 4.21Å; R233-G235 WeakPolarHBondContact CG-O 3.16Å; R233-K237 CarbonylContact C-O 3.56Å; R233-K237 WeakPolarHBondContact CA-O 3.43Å |
| 234 | V | 93.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 103.1 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | F222 C223 V224 E236 K237 L239 I241 F260 Y263 L264 | F222-V234 HydrophobicContact CD1-CG1 4.44Å; F222-V234 HydrophobicContact CE1-CG1 3.49Å; F222-V234 VanDerWaalsContact CE1-CG1 3.49Å; F222-V234 HydrophobicContact CZ-CG1 4.07Å; C223-V234 CarbonylContact O-C 3.57Å; C223-V234 WeakPolarHBondContact O-CA 3.42Å; V224-V234 HydrophobicContact CG1-CG2 4.37Å; V224-V234 HydrophobicContact CG2-CG1 4.36Å; V234-E236 PolarHBondContact O-N 2.97Å; V234-K237 PolarHBondContact N-O 2.91Å; V234-K237 PolarHBondContact O-N 3.44Å; V234-L239 HydrophobicContact CB-CD1 3.64Å; V234-L239 HydrophobicContact CB-CG 4.27Å; V234-L239 HydrophobicContact CG1-CD1 4.04Å; V234-L239 HydrophobicContact CG2-CD1 3.8Å; V234-L239 HydrophobicContact CG2-CG 4.36Å; V234-I241 HydrophobicContact CG2-CD1 4.43Å; V234-F260 HydrophobicContact CG1-CE2 4.2Å; V234-F260 HydrophobicContact CG2-CE2 4.02Å; V234-Y263 HydrophobicContact CB-CE1 4.46Å; V234-Y263 HydrophobicContact CG1-CD1 4.18Å; V234-Y263 HydrophobicContact CG1-CE1 3.69Å; V234-L264 HydrophobicContact CG1-CD2 3.99Å |
| 235 | G | 90.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 19% | 0.186 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -121 | -162.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | C223 R233 | C223-G235 PolarHBondContact O-N 3.45Å; R233-G235 WeakPolarHBondContact CG-O 3.16Å |
| 236 | E | 89.2 | Confident | 93.6 | Very high | 200 Ų | 200 | 57 Ų | 57 | 94% | 0.935 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -4.8 | 179.4 | -61.4 | 178.4 | 170.5 | 0 | 0 | 113.3 | V234 | V234-E236 PolarHBondContact O-N 2.97Š|
| 237 | K | 92 | Very high | 93.5 | Very high | 118 Ų | 118 | 57.1 Ų | 57.1 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.5 | -175.1 | -66.1 | -176.6 | -179.1 | 177.9 | 0 | 111.4 | R233 V234 L239 Y263 | R233-K237 CarbonylContact C-O 3.56Å; R233-K237 WeakPolarHBondContact CA-O 3.43Å; V234-K237 PolarHBondContact N-O 2.91Å; V234-K237 PolarHBondContact O-N 3.44Å; K237-L239 HydrophobicContact CB-CD2 4.23Å; K237-L239 HydrophobicContact CB-CG 4.49Å; K237-Y263 WeakPolarHBondContact CD-OH 3.4Å |
| 238 | I | 93 | Very high | 93.6 | Very high | 99 Ų | 99 | 55 Ų | 55 | 51% | 0.508 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.4 | 167.4 | -60.2 | 177.4 | 0 | 0 | 0 | 107.6 | L227 Y232 | L227-I238 HydrophobicContact CD1-CD1 3.99Å; L227-I238 HydrophobicContact CD1-CG1 3.98Å; L227-I238 HydrophobicContact CD1-CG2 3.96Å; Y232-I238 CarbonylContact O-C 3.57Å; Y232-I238 WeakPolarHBondContact O-CA 3.35Å |
| 239 | L | 94.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.5 | -176.7 | -58.5 | 178 | 0 | 0 | 0 | 111.1 | R231 Y232 V234 K237 I241 V251 Y263 | R231-L239 WeakPolarHBondContact CA-O 3.47Å; Y232-L239 PolarHBondContact N-O 2.82Å; Y232-L239 PolarHBondContact O-N 3.22Å; V234-L239 HydrophobicContact CB-CD1 3.64Å; V234-L239 HydrophobicContact CB-CG 4.27Å; V234-L239 HydrophobicContact CG1-CD1 4.04Å; V234-L239 HydrophobicContact CG2-CD1 3.8Å; V234-L239 HydrophobicContact CG2-CG 4.36Å; K237-L239 HydrophobicContact CB-CD2 4.23Å; K237-L239 HydrophobicContact CB-CG 4.49Å; L239-I241 HydrophobicContact CB-CG1 4.33Å; L239-V251 HydrophobicContact CB-CG1 4.02Å; L239-V251 HydrophobicContact CD1-CG1 3.84Å; L239-V251 HydrophobicContact CD2-CG1 4.24Å; L239-V251 HydrophobicContact CG-CG1 4.25Å; L239-Y263 HydrophobicContact CD1-CD1 3.86Å; L239-Y263 HydrophobicContact CD1-CD2 4.32Å; L239-Y263 HydrophobicContact CD1-CE1 3.38Å; L239-Y263 HydrophobicContact CD1-CE2 3.85Å; L239-Y263 HydrophobicContact CD1-CG 4.32Å; L239-Y263 HydrophobicContact CD2-CE2 4.24Å |
| 240 | F | 95.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.9 | 167.5 | -69.4 | -95.7 | 0 | 0 | 0 | 109.4 | I173 E176 E177 G230 R231 V251 R252 | I173-F240 HydrophobicContact CB-CD1 4.38Å; I173-F240 HydrophobicContact CD1-CB 3.68Å; I173-F240 HydrophobicContact CD1-CG 4.45Å; I173-F240 HydrophobicContact CG1-CB 3.94Å; I173-F240 HydrophobicContact CG1-CD1 4.09Å; I173-F240 HydrophobicContact CG1-CG 4.25Å; I173-F240 HydrophobicContact CG2-CB 3.96Å; I173-F240 HydrophobicContact CG2-CD1 3.7Å; I173-F240 HydrophobicContact CG2-CD2 3.96Å; I173-F240 HydrophobicContact CG2-CE1 4.1Å; I173-F240 HydrophobicContact CG2-CE2 4.38Å; I173-F240 HydrophobicContact CG2-CG 3.61Å; I173-F240 HydrophobicContact CG2-CZ 4.46Å; E176-F240 HydrophobicContact CB-CE1 4.46Å; E177-F240 HydrophobicContact CG-CE1 4.06Å; E177-F240 HydrophobicContact CG-CE2 3.66Å; E177-F240 HydrophobicContact CG-CZ 3.32Å; E177-F240 WeakPolarHBondContact OE1-CE2 3.49Å; G230-F240 CarbonylContact O-C 3.54Å; G230-F240 WeakPolarHBondContact O-CA 3.37Å; R231-F240 HydrophobicContact CG-CD1 3.94Å; R231-F240 HydrophobicContact CG-CE1 3.75Å; R231-F240 HydrophobicContact CG-CZ 4.33Å; F240-V251 WeakPolarHBondContact O-CA 3.5Å; F240-R252 HydrophobicContact CB-CB 4.31Å; F240-R252 PolarHBondContact O-N 3.15Å |
| 241 | I | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135 | -179.3 | -46.9 | -173 | 0 | 0 | 0 | 108.9 | L203 V207 G230 Y232 V234 L239 V249 M250 V251 F260 | L203-I241 HydrophobicContact CD1-CG2 4.11Å; V207-I241 HydrophobicContact CG2-CD1 4.35Å; V207-I241 HydrophobicContact CG2-CG2 3.96Å; G230-I241 VanDerWaalsContact CA-O 3.29Å; G230-I241 WeakPolarHBondContact CA-O 3.41Å; G230-I241 PolarHBondContact O-N 3.35Å; Y232-I241 HydrophobicContact CD2-CB 3.73Å; Y232-I241 HydrophobicContact CD2-CD1 3.48Å; Y232-I241 VanDerWaalsContact CD2-CD1 3.48Å; Y232-I241 HydrophobicContact CD2-CG1 3.56Å; Y232-I241 HydrophobicContact CE2-CB 3.83Å; Y232-I241 HydrophobicContact CE2-CD1 4.17Å; Y232-I241 HydrophobicContact CE2-CG1 4.19Å; Y232-I241 HydrophobicContact CG-CD1 3.73Å; Y232-I241 HydrophobicContact CG-CG1 4.26Å; V234-I241 HydrophobicContact CG2-CD1 4.43Å; L239-I241 HydrophobicContact CB-CG1 4.33Å; I241-V249 HydrophobicContact CG2-CG1 3.33Å; I241-M250 CarbonylContact C-O 3.59Å; I241-M250 VanDerWaalsContact CA-O 3.26Å; I241-M250 WeakPolarHBondContact CA-O 3.5Å; I241-M250 WeakPolarHBondContact CG2-O 3.39Å; I241-V251 HydrophobicContact CG1-CG2 4.25Å; I241-V251 HydrophobicContact CG2-CG2 4.49Å; I241-F260 HydrophobicContact CD1-CD2 3.74Å; I241-F260 HydrophobicContact CD1-CE2 3.73Å; I241-F260 HydrophobicContact CD1-CG 4.31Å; I241-F260 HydrophobicContact CD1-CZ 4.29Å |
| 242 | R | 95.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 155.3 | -178.9 | -67.4 | -64.9 | -180 | -76.2 | 1.7 | 111.3 | L169 E172 I173 E176 G230 M250 | L169-R242 HydrophobicContact CB-CG 4.41Å; L169-R242 HydrophobicContact CD1-CB 3.86Å; L169-R242 HydrophobicContact CD2-CB 3.98Å; L169-R242 HydrophobicContact CD2-CG 4.11Å; L169-R242 HydrophobicContact CG-CB 4.34Å; E172-R242 IonicContact OE2-NE 3.72Å; I173-R242 HydrophobicContact CD1-CG 4.09Å; I173-R242 HydrophobicContact CG1-CG 4.41Å; E176-R242 IonicContact OE1-CZ 3.71Å; E176-R242 IonicContact OE1-NH2 3.65Å; E176-R242 PolarHBondContact OE1-NH2 3.46Å; E176-R242 IonicContact OE2-CZ 3.4Å; E176-R242 IonicContact OE2-NH2 3.34Å; E176-R242 PolarHBondContact OE2-NH2 3.14Å; G230-R242 VanDerWaalsContact CA-NH1 3.28Å; G230-R242 PolarHBondContact O-NH1 3.41Å; R242-M250 PolarHBondContact N-O 2.73Å; R242-M250 PolarHBondContact O-N 3.24Å |
| 243 | M | 95.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.3 | 172.1 | -174.8 | 64.7 | 71.7 | 0 | 0 | 108.9 | L203 A206 V249 | L203-M243 HydrophobicContact CD1-CB 4.26Å; L203-M243 HydrophobicContact CD1-CE 4.39Å; A206-M243 HydrophobicContact CB-CE 3.74Å; M243-V249 HydrophobicContact CE-CG2 3.82Å; M243-V249 HydrophobicContact SD-CG2 4.28Å |
| 244 | L | 96.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.1 | 172.4 | 179.4 | 73.2 | 0 | 0 | 0 | 109.2 | P34 D38 L166 L169 N246 K247 H248 M250 | P34-L244 HydrophobicContact CB-CD2 4.09Å; D38-L244 HydrophobicContact CB-CD2 4.23Å; L166-L244 HydrophobicContact CD1-CD2 4.35Å; L166-L244 HydrophobicContact CD2-CD1 4.2Å; L166-L244 HydrophobicContact CD2-CD2 3.77Å; L166-L244 HydrophobicContact CD2-CG 4.46Å; L166-L244 HydrophobicContact CG-CD1 4.1Å; L166-L244 HydrophobicContact CG-CD2 3.85Å; L169-L244 HydrophobicContact CD1-CB 4.17Å; L169-L244 HydrophobicContact CD1-CD1 4Å; L244-N246 PolarHBondContact O-N 3.07Å; L244-K247 PolarHBondContact O-N 3.13Å; L244-H248 HydrophobicContact CB-CB 4.28Å; L244-H248 PolarHBondContact N-O 3.06Å; L244-H248 PolarHBondContact O-N 2.9Å; L244-M250 HydrophobicContact CB-CG 3.74Å; L244-M250 HydrophobicContact CD2-CG 4.22Å |
| 245 | H | 93.3 | Very high | 91.6 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 32.1 | 176.6 | -60 | 166.8 | 0 | 0 | 0 | 114.6 | D38 K247 | D38-H245 IonicContact OD1-CE1 2.58Å; D38-H245 PolarHBondContact OD1-CE1 3.01Å; D38-H245 IonicContact OD1-NE2 3.05Å; D38-H245 PolarHBondContact OD1-NE2 3.04Å; H245-K247 PolarHBondContact O-N 3.25Å |
| 246 | N | 91.9 | Very high | 91.4 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 20.8 | -177.1 | -59.2 | -33.2 | 0 | 0 | 0 | 114.5 | L244 | L244-N246 PolarHBondContact O-N 3.07Š|
| 247 | K | 92.8 | Very high | 91.6 | Very high | 126 Ų | 126 | 46 Ų | 46 | 55% | 0.548 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | -46.1 | -171.9 | -177.6 | 179.5 | 176 | -173.7 | 0 | 112.1 | E37 L244 H245 | E37-K247 IonicContact OE1-NZ 2.89Å; E37-K247 PolarHBondContact OE1-NZ 3.42Å; E37-K247 IonicContact OE2-NZ 3.43Å; E37-K247 PolarHBondContact OE2-NZ 2.85Å; L244-K247 PolarHBondContact O-N 3.13Å; H245-K247 PolarHBondContact O-N 3.25Å |
| 248 | H | 95 | Very high | 91.6 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 11% | 0.106 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.1 | -172.9 | -57 | -71.4 | 0 | 0 | 0 | 111.3 | P34 E37 L244 M250 | P34-H248 HydrophobicContact CB-CB 3.95Å; P34-H248 HydrophobicContact CG-CB 4.15Å; E37-H248 IonicContact OE1-NE2 2.73Å; E37-H248 IonicContact OE2-CD2 3.94Å; E37-H248 IonicContact OE2-CE1 2.6Å; E37-H248 IonicContact OE2-NE2 2.67Å; E37-H248 PolarHBondContact OE2-NE2 3.42Å; L244-H248 HydrophobicContact CB-CB 4.28Å; L244-H248 PolarHBondContact N-O 3.06Å; L244-H248 PolarHBondContact O-N 2.9Å; H248-M250 HydrophobicContact CB-CG 4.23Å; H248-M250 HydrophobicContact CB-SD 3.85Å; H248-M250 PolarHBondContact O-N 2.98Å |
| 249 | V | 96.3 | Very high | 91.7 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 112.3 | 170.6 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | L203 A206 V207 I210 I241 M243 T259 F260 | L203-V249 HydrophobicContact CD1-CG1 4.05Å; A206-V249 HydrophobicContact CB-CG2 3.65Å; V207-V249 HydrophobicContact CG2-CG1 3.84Å; I210-V249 HydrophobicContact CD1-CB 3.72Å; I210-V249 HydrophobicContact CD1-CG1 4.34Å; I210-V249 HydrophobicContact CD1-CG2 3.61Å; I241-V249 HydrophobicContact CG2-CG1 3.33Å; M243-V249 HydrophobicContact CE-CG2 3.82Å; M243-V249 HydrophobicContact SD-CG2 4.28Å; V249-T259 CarbonylContact O-C 3.57Å; V249-T259 WeakPolarHBondContact O-CA 3.27Å; V249-F260 HydrophobicContact CB-CB 4.14Å; V249-F260 HydrophobicContact CG1-CB 3.62Å; V249-F260 HydrophobicContact CG1-CD1 4.35Å; V249-F260 HydrophobicContact CG1-CG 4.24Å; V249-F260 PolarHBondContact O-N 2.87Å |
| 250 | M | 96.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 143.2 | -173.2 | -57.8 | -56.8 | -67.6 | 0 | 0 | 110.9 | P34 L166 I241 R242 L244 H248 W257 E258 T259 | P34-M250 HydrophobicContact CB-CE 4.02Å; P34-M250 HydrophobicContact CB-SD 3.69Å; P34-M250 HydrophobicContact CG-CE 4.38Å; P34-M250 HydrophobicContact CG-SD 3.94Å; L166-M250 HydrophobicContact CD2-CE 4.18Å; L166-M250 HydrophobicContact CD2-CG 4.24Å; I241-M250 CarbonylContact C-O 3.59Å; I241-M250 VanDerWaalsContact CA-O 3.26Å; I241-M250 WeakPolarHBondContact CA-O 3.5Å; I241-M250 WeakPolarHBondContact CG2-O 3.39Å; R242-M250 PolarHBondContact N-O 2.73Å; R242-M250 PolarHBondContact O-N 3.24Å; L244-M250 HydrophobicContact CB-CG 3.74Å; L244-M250 HydrophobicContact CD2-CG 4.22Å; H248-M250 HydrophobicContact CB-CG 4.23Å; H248-M250 HydrophobicContact CB-SD 3.85Å; H248-M250 PolarHBondContact O-N 2.98Å; M250-W257 HydrophobicContact CB-CE3 3.79Å; M250-W257 HydrophobicContact CB-CZ3 3.99Å; M250-W257 HydrophobicContact CE-CB 4.03Å; M250-E258 CarbonylContact C-O 3.58Å; M250-E258 WeakPolarHBondContact CA-O 3.35Å; M250-T259 HydrophobicContact CE-CG2 4.5Å; M250-T259 HydrophobicContact SD-CG2 3.98Å |
| 251 | V | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | L239 F240 I241 V253 E258 F260 Y263 | L239-V251 HydrophobicContact CB-CG1 4.02Å; L239-V251 HydrophobicContact CD1-CG1 3.84Å; L239-V251 HydrophobicContact CD2-CG1 4.24Å; L239-V251 HydrophobicContact CG-CG1 4.25Å; F240-V251 WeakPolarHBondContact O-CA 3.5Å; I241-V251 HydrophobicContact CG1-CG2 4.25Å; I241-V251 HydrophobicContact CG2-CG2 4.49Å; V251-V253 HydrophobicContact CG1-CG1 3.91Å; V251-E258 PolarHBondContact N-O 3.33Å; V251-E258 PolarHBondContact O-N 3.42Å; V251-F260 HydrophobicContact CG2-CB 3.68Å; V251-F260 HydrophobicContact CG2-CD2 3.62Å; V251-F260 HydrophobicContact CG2-CG 4.12Å; V251-Y263 HydrophobicContact CG1-CD2 4.38Å |
| 252 | R | 92.5 | Very high | 91.2 | Very high | 57 Ų | 57 | 38 Ų | 38 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.7 | 169.3 | -170.5 | 69.5 | -178.7 | 77.1 | 10.4 | 109.7 | I173 F240 G254 G256 W257 | I173-R252 HydrophobicContact CD1-CB 3.89Å; I173-R252 HydrophobicContact CD1-CG 4.37Å; F240-R252 HydrophobicContact CB-CB 4.31Å; F240-R252 PolarHBondContact O-N 3.15Å; R252-G254 VanDerWaalsContact NH1-C 3.33Å; R252-G254 PolarHBondContact NH1-O 3.37Å; R252-G254 PolarHBondContact NH2-O 2.84Å; R252-G254 VanDerWaalsContact NH2-O 3.11Å; R252-G256 PolarHBondContact NH1-O 2.93Å; R252-W257 HydrophobicContact CB-CE3 4.48Å; R252-W257 HydrophobicContact CB-CH2 4.4Å; R252-W257 HydrophobicContact CB-CZ3 4.18Å |
| 253 | V | 88.1 | Confident | 91 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 106.4 | 177.7 | -69.4 | 0 | 0 | 0 | 0 | 108.8 | V251 G255 G256 E258 Y263 | V251-V253 HydrophobicContact CG1-CG1 3.91Å; V253-G255 VanDerWaalsContact C-N 3.34Å; V253-G255 PolarHBondContact O-N 2.92Å; V253-G256 PolarHBondContact N-O 2.94Å; V253-G256 PolarHBondContact O-N 3.39Å; V253-E258 HydrophobicContact CG2-CB 4.2Å; V253-Y263 HydrophobicContact CG1-CD2 3.79Å; V253-Y263 HydrophobicContact CG1-CE2 3.9Å |
| 254 | G | 70.6 | Confident | 90.8 | Very high | 77 Ų | 77 | 36.2 Ų | 36.2 | 79% | 0.794 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 39.3 | -78.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | R252 | R252-G254 VanDerWaalsContact NH1-C 3.33Å; R252-G254 PolarHBondContact NH1-O 3.37Å; R252-G254 PolarHBondContact NH2-O 2.84Å; R252-G254 VanDerWaalsContact NH2-O 3.11Å |
| 255 | G | 73 | Confident | 90.3 | Very high | 82 Ų | 82 | 38.2 Ų | 38.2 | 85% | 0.845 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 5.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | V253 | V253-G255 VanDerWaalsContact C-N 3.34Å; V253-G255 PolarHBondContact O-N 2.92Å |
| 256 | G | 86.4 | Confident | 90 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | -155.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R252 V253 | R252-G256 PolarHBondContact NH1-O 2.93Å; V253-G256 PolarHBondContact N-O 2.94Å; V253-G256 PolarHBondContact O-N 3.39Å |
| 257 | W | 93.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 37 Ų | 37 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.2 | 179.8 | -71.2 | 100.4 | 0 | 0 | 0 | 110.9 | L166 L169 E170 I173 M250 R252 | L166-W257 HydrophobicContact CD2-CB 4.19Å; L166-W257 HydrophobicContact CD2-CD2 3.75Å; L166-W257 HydrophobicContact CD2-CE3 4.18Å; L166-W257 HydrophobicContact CD2-CG 3.76Å; L166-W257 VanDerWaalsContact O-CZ2 3.28Å; L166-W257 WeakPolarHBondContact O-CZ2 3.47Å; L166-W257 PolarHBondContact O-NE1 3.38Å; L169-W257 HydrophobicContact CB-CH2 3.61Å; L169-W257 HydrophobicContact CB-CZ2 3.79Å; E170-W257 HydrophobicContact CB-CZ2 3.96Å; I173-W257 HydrophobicContact CD1-CH2 3.48Å; I173-W257 VanDerWaalsContact CD1-CH2 3.48Å; I173-W257 HydrophobicContact CD1-CZ2 4.26Å; I173-W257 HydrophobicContact CD1-CZ3 4.18Å; M250-W257 HydrophobicContact CB-CE3 3.79Å; M250-W257 HydrophobicContact CB-CZ3 3.99Å; M250-W257 HydrophobicContact CE-CB 4.03Å; R252-W257 HydrophobicContact CB-CE3 4.48Å; R252-W257 HydrophobicContact CB-CH2 4.4Å; R252-W257 HydrophobicContact CB-CZ3 4.18Å |
| 258 | E | 92.8 | Very high | 89.6 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 12% | 0.121 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.4 | 173.4 | -177.9 | 166.1 | -164 | 0 | 0 | 109.8 | M250 V251 V253 G262 K266 | M250-E258 CarbonylContact C-O 3.58Å; M250-E258 WeakPolarHBondContact CA-O 3.35Å; V251-E258 PolarHBondContact N-O 3.33Å; V251-E258 PolarHBondContact O-N 3.42Å; V253-E258 HydrophobicContact CG2-CB 4.2Å; E258-G262 VanDerWaalsContact OE1-C 3.24Å; E258-K266 WeakPolarHBondContact OE1-CD 3.44Å; E258-K266 WeakPolarHBondContact OE1-CE 3.49Å; E258-K266 IonicContact OE1-NZ 3.46Å; E258-K266 PolarHBondContact OE1-NZ 3.36Å; E258-K266 IonicContact OE2-NZ 2.89Å; E258-K266 PolarHBondContact OE2-NZ 2.95Å |
| 259 | T | 94.3 | Very high | 89.1 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 14% | 0.141 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 145.6 | 171.1 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | P34 V249 M250 A261 G262 Y263 | P34-T259 HydrophobicContact CG-CG2 3.59Å; V249-T259 CarbonylContact O-C 3.57Å; V249-T259 WeakPolarHBondContact O-CA 3.27Å; M250-T259 HydrophobicContact CE-CG2 4.5Å; M250-T259 HydrophobicContact SD-CG2 3.98Å; T259-A261 PolarHBondContact O-N 2.64Å; T259-G262 PolarHBondContact O-N 3.49Å; T259-G262 VanDerWaalsContact O-N 3.07Å; T259-G262 PolarHBondContact OG1-N 3.24Å; T259-Y263 PolarHBondContact O-N 3.06Å |
| 260 | F | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 177.1 | -178.2 | -124.3 | 0 | 0 | 0 | 112.3 | V207 I210 V224 V234 I241 V249 V251 Y263 L264 | V207-F260 HydrophobicContact CB-CE1 4.4Å; V207-F260 HydrophobicContact CG1-CD1 4.4Å; V207-F260 HydrophobicContact CG1-CE1 3.74Å; V207-F260 HydrophobicContact CG1-CZ 4.09Å; I210-F260 HydrophobicContact CB-CD1 3.91Å; I210-F260 HydrophobicContact CB-CE1 4.25Å; I210-F260 HydrophobicContact CD1-CD1 4.29Å; I210-F260 HydrophobicContact CG2-CD1 3.55Å; I210-F260 HydrophobicContact CG2-CE1 4.02Å; I210-F260 HydrophobicContact CG2-CG 4.43Å; V224-F260 HydrophobicContact CG1-CZ 3.87Å; V224-F260 HydrophobicContact CG2-CZ 4.16Å; V234-F260 HydrophobicContact CG1-CE2 4.2Å; V234-F260 HydrophobicContact CG2-CE2 4.02Å; I241-F260 HydrophobicContact CD1-CD2 3.74Å; I241-F260 HydrophobicContact CD1-CE2 3.73Å; I241-F260 HydrophobicContact CD1-CG 4.31Å; I241-F260 HydrophobicContact CD1-CZ 4.29Å; V249-F260 HydrophobicContact CB-CB 4.14Å; V249-F260 HydrophobicContact CG1-CB 3.62Å; V249-F260 HydrophobicContact CG1-CD1 4.35Å; V249-F260 HydrophobicContact CG1-CG 4.24Å; V249-F260 PolarHBondContact O-N 2.87Å; V251-F260 HydrophobicContact CG2-CB 3.68Å; V251-F260 HydrophobicContact CG2-CD2 3.62Å; V251-F260 HydrophobicContact CG2-CG 4.12Å; F260-Y263 PolarHBondContact O-N 2.93Å; F260-L264 HydrophobicContact CD1-CD1 4.35Å; F260-L264 HydrophobicContact CD2-CG 4.41Å; F260-L264 HydrophobicContact CE1-CD1 3.8Å; F260-L264 HydrophobicContact CE1-CG 4.3Å; F260-L264 HydrophobicContact CE2-CD1 4.39Å; F260-L264 HydrophobicContact CE2-CD2 3.95Å; F260-L264 HydrophobicContact CE2-CG 4.02Å; F260-L264 HydrophobicContact CZ-CD1 3.83Å; F260-L264 HydrophobicContact CZ-CD2 3.93Å; F260-L264 HydrophobicContact CZ-CG 3.96Å; F260-L264 WeakPolarHBondContact O-CG 3.31Å; F260-L264 PolarHBondContact O-N 2.92Å |
| 261 | A | 91.4 | Very high | 87.6 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 31% | 0.306 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I210 T259 Y263 L264 L265 | I210-A261 HydrophobicContact CG2-CB 3.94Å; T259-A261 PolarHBondContact O-N 2.64Å; A261-Y263 VanDerWaalsContact C-N 3.35Å; A261-L264 PolarHBondContact O-N 2.91Å; A261-L265 WeakPolarHBondContact O-CD1 3.45Å; A261-L265 WeakPolarHBondContact O-CG 3.28Å; A261-L265 PolarHBondContact O-N 3.39Å |
| 262 | G | 89.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E258 T259 L265 K266 | E258-G262 VanDerWaalsContact OE1-C 3.24Å; T259-G262 PolarHBondContact O-N 3.49Å; T259-G262 VanDerWaalsContact O-N 3.07Å; T259-G262 PolarHBondContact OG1-N 3.24Å; G262-L265 WeakPolarHBondContact O-CB 3.31Å; G262-L265 PolarHBondContact O-N 3.45Å; G262-K266 PolarHBondContact O-N 2.93Å |
| 263 | Y | 91.6 | Very high | 84.8 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -50.4 | 174.7 | -176.8 | -85.8 | 0 | 0 | 0 | 111.7 | V234 K237 L239 V251 V253 T259 F260 A261 L265 K266 H267 | V234-Y263 HydrophobicContact CB-CE1 4.46Å; V234-Y263 HydrophobicContact CG1-CD1 4.18Å; V234-Y263 HydrophobicContact CG1-CE1 3.69Å; K237-Y263 WeakPolarHBondContact CD-OH 3.4Å; L239-Y263 HydrophobicContact CD1-CD1 3.86Å; L239-Y263 HydrophobicContact CD1-CD2 4.32Å; L239-Y263 HydrophobicContact CD1-CE1 3.38Å; L239-Y263 HydrophobicContact CD1-CE2 3.85Å; L239-Y263 HydrophobicContact CD1-CG 4.32Å; L239-Y263 HydrophobicContact CD2-CE2 4.24Å; V251-Y263 HydrophobicContact CG1-CD2 4.38Å; V253-Y263 HydrophobicContact CG1-CD2 3.79Å; V253-Y263 HydrophobicContact CG1-CE2 3.9Å; T259-Y263 PolarHBondContact O-N 3.06Å; F260-Y263 PolarHBondContact O-N 2.93Å; A261-Y263 VanDerWaalsContact C-N 3.35Å; Y263-L265 VanDerWaalsContact C-N 3.28Å; Y263-L265 PolarHBondContact O-N 3.12Å; Y263-K266 PolarHBondContact O-N 3.26Å; Y263-H267 HydrophobicContact CD1-CB 4.38Å; Y263-H267 AromaticContact CD1-CD2 3.87Å; Y263-H267 AromaticContact CD2-CD2 3.51Å; Y263-H267 AromaticContact CD2-NE2 3.91Å; Y263-H267 HydrophobicContact CE1-CB 3.92Å; Y263-H267 AromaticContact CE1-CD2 3.62Å; Y263-H267 AromaticContact CE1-CG 3.93Å; Y263-H267 AromaticContact CE2-CD2 3.27Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.42Å; Y263-H267 AromaticContact CE2-NE2 3.51Å; Y263-H267 AromaticContact CG-CD2 3.81Å; Y263-H267 AromaticContact CZ-CD2 3.32Å; Y263-H267 AromaticContact CZ-CG 3.8Å; Y263-H267 AromaticContact CZ-NE2 3.88Å; Y263-H267 PolarHBondContact O-CD2 2.94Å; Y263-H267 VanDerWaalsContact O-CD2 3.23Å; Y263-H267 PolarHBondContact O-N 3.14Å; Y263-H267 VanDerWaalsContact O-N 3.08Å |
| 264 | L | 90.9 | Very high | 83.3 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 177.9 | -68.1 | -176.5 | 0 | 0 | 0 | 111.9 | I210 F222 V224 V234 F260 A261 K266 H267 D268 | I210-L264 HydrophobicContact CG2-CD1 4.06Å; F222-L264 HydrophobicContact CD1-CD2 3.85Å; F222-L264 HydrophobicContact CE1-CD2 3.69Å; V224-L264 HydrophobicContact CG2-CD2 4.36Å; V234-L264 HydrophobicContact CG1-CD2 3.99Å; F260-L264 HydrophobicContact CD1-CD1 4.35Å; F260-L264 HydrophobicContact CD2-CG 4.41Å; F260-L264 HydrophobicContact CE1-CD1 3.8Å; F260-L264 HydrophobicContact CE1-CG 4.3Å; F260-L264 HydrophobicContact CE2-CD1 4.39Å; F260-L264 HydrophobicContact CE2-CD2 3.95Å; F260-L264 HydrophobicContact CE2-CG 4.02Å; F260-L264 HydrophobicContact CZ-CD1 3.83Å; F260-L264 HydrophobicContact CZ-CD2 3.93Å; F260-L264 HydrophobicContact CZ-CG 3.96Å; F260-L264 WeakPolarHBondContact O-CG 3.31Å; F260-L264 PolarHBondContact O-N 2.92Å; A261-L264 PolarHBondContact O-N 2.91Å; L264-K266 PolarHBondContact O-N 3.37Å; L264-H267 PolarHBondContact O-N 3.1Å; L264-D268 HydrophobicContact CB-CB 4.49Å; L264-D268 WeakPolarHBondContact O-CB 3.13Å; L264-D268 PolarHBondContact O-N 3.49Å |
| 265 | L | 86.7 | Confident | 82.4 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -26.3 | 176.8 | -77.8 | 155.8 | 0 | 0 | 0 | 113.5 | R27 A261 G262 Y263 R271 M272 | R27-L265 VanDerWaalsContact NH1-CD1 3.29Å; A261-L265 WeakPolarHBondContact O-CD1 3.45Å; A261-L265 WeakPolarHBondContact O-CG 3.28Å; A261-L265 PolarHBondContact O-N 3.39Å; G262-L265 WeakPolarHBondContact O-CB 3.31Å; G262-L265 PolarHBondContact O-N 3.45Å; Y263-L265 VanDerWaalsContact C-N 3.28Å; Y263-L265 PolarHBondContact O-N 3.12Å; L265-R271 HydrophobicContact CD2-CB 4.37Å; L265-M272 WeakPolarHBondContact O-CG 3.44Å |
| 266 | K | 86.9 | Confident | 81 | Confident | 109 Ų | 109 | 42.7 Ų | 42.7 | 47% | 0.474 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -94.1 | -20.4 | 178.5 | -65.8 | 173.9 | -179.2 | 168.9 | 0 | 114.1 | E258 G262 Y263 L264 | E258-K266 WeakPolarHBondContact OE1-CD 3.44Å; E258-K266 WeakPolarHBondContact OE1-CE 3.49Å; E258-K266 IonicContact OE1-NZ 3.46Å; E258-K266 PolarHBondContact OE1-NZ 3.36Å; E258-K266 IonicContact OE2-NZ 2.89Å; E258-K266 PolarHBondContact OE2-NZ 2.95Å; G262-K266 PolarHBondContact O-N 2.93Å; Y263-K266 PolarHBondContact O-N 3.26Å; L264-K266 PolarHBondContact O-N 3.37Å |
| 267 | H | 88.1 | Confident | 79 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -123 | -23 | -168.4 | -68.3 | -66.2 | 0 | 0 | 0 | 114.4 | F222 Y263 L264 P269 | F222-H267 WeakPolarHBondContact CE2-O 3.42Å; F222-H267 HydrophobicContact CZ-CB 4.2Å; Y263-H267 HydrophobicContact CD1-CB 4.38Å; Y263-H267 AromaticContact CD1-CD2 3.87Å; Y263-H267 AromaticContact CD2-CD2 3.51Å; Y263-H267 AromaticContact CD2-NE2 3.91Å; Y263-H267 HydrophobicContact CE1-CB 3.92Å; Y263-H267 AromaticContact CE1-CD2 3.62Å; Y263-H267 AromaticContact CE1-CG 3.93Å; Y263-H267 AromaticContact CE2-CD2 3.27Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.42Å; Y263-H267 AromaticContact CE2-NE2 3.51Å; Y263-H267 AromaticContact CG-CD2 3.81Å; Y263-H267 AromaticContact CZ-CD2 3.32Å; Y263-H267 AromaticContact CZ-CG 3.8Å; Y263-H267 AromaticContact CZ-NE2 3.88Å; Y263-H267 PolarHBondContact O-CD2 2.94Å; Y263-H267 VanDerWaalsContact O-CD2 3.23Å; Y263-H267 PolarHBondContact O-N 3.14Å; Y263-H267 VanDerWaalsContact O-N 3.08Å; L264-H267 PolarHBondContact O-N 3.1Å; H267-P269 VanDerWaalsContact O-CD 3.31Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å |
| 268 | D | 87.9 | Confident | 76.5 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | trans | -81.8 | 114.1 | 174.2 | 178.4 | -10.3 | 0 | 0 | 0 | 109.5 | F222 L264 C270 R271 M272 | F222-D268 HydrophobicContact CB-CB 4.12Å; F222-D268 WeakPolarHBondContact CB-OD1 3.22Å; F222-D268 HydrophobicContact CD1-CB 3.84Å; F222-D268 HydrophobicContact CE1-CB 4.35Å; F222-D268 HydrophobicContact CG-CB 3.92Å; L264-D268 HydrophobicContact CB-CB 4.49Å; L264-D268 WeakPolarHBondContact O-CB 3.13Å; L264-D268 PolarHBondContact O-N 3.49Å; D268-C270 PolarHBondContact O-N 3.38Å; D268-C270 WeakPolarHBondContact OD1-CB 3.45Å; D268-C270 PolarHBondContact OD1-N 3.29Å; D268-R271 HydrophobicContact CB-CB 4.12Å; D268-R271 HydrophobicContact CB-CG 4.05Å; D268-R271 PolarHBondContact O-N 2.96Å; D268-R271 WeakPolarHBondContact OD2-CD 2.98Å; D268-R271 WeakPolarHBondContact OD2-CG 3.49Å; D268-R271 IonicContact OD2-NE 2.98Å; D268-R271 PolarHBondContact OD2-NE 3.32Å; D268-R271 VanDerWaalsContact OD2-NE 3.14Å; D268-M272 WeakPolarHBondContact O-CG 3.43Å; D268-M272 PolarHBondContact O-N 2.96Å | ||
| 269 | P | 85 | Confident | 74 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.4 | -34.4 | 179.9 | -25.2 | 35.6 | 0 | 0 | 0 | 113.7 | H267 R271 L273 | H267-P269 VanDerWaalsContact O-CD 3.31Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-R271 VanDerWaalsContact C-N 3.26Å; P269-R271 PolarHBondContact O-N 2.94Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.42Å; P269-L273 PolarHBondContact O-N 2.89Å |
| 270 | C | 80.7 | Confident | 71.3 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.3 | -26.4 | 179.7 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | C218 D268 | C218-C270 WeakPolarHBondContact CB-SG 3.43Å; C218-C270 WeakPolarHBondContact SG-CB 3.31Å; C218-C270 CovalentContact SG-SG 2.08Å; C218-C270 PolarHBondContact SG-SG 3.47Å; D268-C270 PolarHBondContact O-N 3.38Å; D268-C270 WeakPolarHBondContact OD1-CB 3.45Å; D268-C270 PolarHBondContact OD1-N 3.29Å |
| 271 | R | 80.3 | Confident | 68.6 | Low | 27 Ų | 27 | 70 Ų | 70 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -89.3 | -38.7 | 177.4 | -64 | 176.8 | -171 | -114.9 | -1.6 | 112.5 | I210 S211 D213 L265 D268 P269 L273 Q274 | I210-R271 PolarHBondContact O-NH2 2.08Å; S211-R271 PolarHBondContact O-NH2 3.38Å; D213-R271 VanDerWaalsContact O-CZ 3.29Å; D213-R271 PolarHBondContact O-NH1 3.44Å; D213-R271 PolarHBondContact O-NH2 2.81Å; L265-R271 HydrophobicContact CD2-CB 4.37Å; D268-R271 HydrophobicContact CB-CB 4.12Å; D268-R271 HydrophobicContact CB-CG 4.05Å; D268-R271 PolarHBondContact O-N 2.96Å; D268-R271 WeakPolarHBondContact OD2-CD 2.98Å; D268-R271 WeakPolarHBondContact OD2-CG 3.49Å; D268-R271 IonicContact OD2-NE 2.98Å; D268-R271 PolarHBondContact OD2-NE 3.32Å; D268-R271 VanDerWaalsContact OD2-NE 3.14Å; P269-R271 VanDerWaalsContact C-N 3.26Å; P269-R271 PolarHBondContact O-N 2.94Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.81Å; R271-Q274 WeakPolarHBondContact O-CB 3.5Å; R271-Q274 PolarHBondContact O-N 2.94Å; R271-Q274 VanDerWaalsContact O-N 3.1Å |
| 272 | M | 71.2 | Confident | 65.9 | Low | 79 Ų | 79 | 74.4 Ų | 74.4 | 39% | 0.389 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 175.8 | -70.6 | -161.5 | -50.8 | 0 | 0 | 112.1 | L265 D268 Q274 I275 S276 | L265-M272 WeakPolarHBondContact O-CG 3.44Å; D268-M272 WeakPolarHBondContact O-CG 3.43Å; D268-M272 PolarHBondContact O-N 2.96Å; M272-Q274 PolarHBondContact O-N 3.03Å; M272-Q274 VanDerWaalsContact O-N 3.14Å; M272-I275 WeakPolarHBondContact O-CB 3.18Å; M272-I275 PolarHBondContact O-N 3.32Å; M272-S276 PolarHBondContact O-N 3.02Å |
| 273 | L | 58.4 | Low | 63.1 | Low | 86 Ų | 86 | 79.3 Ų | 79.3 | 45% | 0.45 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -18.3 | 179 | -70.3 | 172.1 | 0 | 0 | 0 | 113.7 | P269 R271 I275 R277 | P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.42Å; P269-L273 PolarHBondContact O-N 2.89Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.81Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.4Å; L273-R277 WeakPolarHBondContact O-CG 3.16Å; L273-R277 PolarHBondContact O-N 2.96Å; L273-R277 VanDerWaalsContact O-N 3.12Å |
| 274 | Q | 55.4 | Low | 60.3 | Low | 86 Ų | 86 | 85.2 Ų | 85.2 | 40% | 0.402 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -76.8 | -18.4 | 173.3 | -61.5 | -147.5 | -0.9 | 0 | 0 | 113.1 | R271 M272 | R271-Q274 WeakPolarHBondContact O-CB 3.5Å; R271-Q274 PolarHBondContact O-N 2.94Å; R271-Q274 VanDerWaalsContact O-N 3.1Å; M272-Q274 PolarHBondContact O-N 3.03Å; M272-Q274 VanDerWaalsContact O-N 3.14Å |
| 275 | I | 52 | Low | 57.5 | Low | 67 Ų | 67 | 93.1 Ų | 93.1 | 34% | 0.344 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -84.7 | -36.6 | 173.4 | -55.8 | 172 | 0 | 0 | 0 | 109.7 | M272 L273 | M272-I275 WeakPolarHBondContact O-CB 3.18Å; M272-I275 PolarHBondContact O-N 3.32Å; L273-I275 VanDerWaalsContact C-N 3.3Å |
| 276 | S | 43.7 | Very low | 54.9 | Low | 90 Ų | 90 | 99.2 Ų | 99.2 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.5 | -25.5 | -179.3 | -47.2 | 0 | 0 | 0 | 0 | 114.3 | M272 V278 | M272-S276 PolarHBondContact O-N 3.02Å; S276-V278 PolarHBondContact O-N 3.37Å |
| 277 | R | 43.3 | Very low | 52.3 | Low | 185 Ų | 185 | 98.9 Ų | 98.9 | 70% | 0.698 | 54% | 0.541 | S | S | * | . | trans | -79 | 65.9 | 172.5 | -73.9 | -173.5 | 178.3 | 120.1 | -2.6 | 110.7 | L273 | L273-R277 WeakPolarHBondContact O-CB 3.4Å; L273-R277 WeakPolarHBondContact O-CG 3.16Å; L273-R277 PolarHBondContact O-N 2.96Å; L273-R277 VanDerWaalsContact O-N 3.12Å | ||
| 278 | V | 41.1 | Very low | 49.4 | Very low | 47 Ų | 47 | 105.2 Ų | 105.2 | 29% | 0.285 | 57% | 0.568 | S | S | . | * | trans | -65 | 126.3 | 151.8 | 173 | 0 | 0 | 0 | 0 | 105.5 | L14 S276 G280 | L14-V278 HydrophobicContact CB-CG1 4.06Å; L14-V278 HydrophobicContact CD1-CB 4.46Å; L14-V278 HydrophobicContact CD1-CG1 4.19Å; L14-V278 HydrophobicContact CD1-CG2 4.06Å; L14-V278 HydrophobicContact CG-CB 4.44Å; L14-V278 HydrophobicContact CG-CG1 3.91Å; L14-V278 HydrophobicContact CG-CG2 3.88Å; S276-V278 PolarHBondContact O-N 3.37Å; V278-G280 PolarHBondContact O-N 2.69Å | ||
| 279 | D | 41.2 | Very low | 46.8 | Very low | 160 Ų | 160 | 110.8 Ų | 110.8 | 86% | 0.856 | 61% | 0.607 | S | S | * | * | trans | -64.7 | 73.5 | 175.8 | -84.2 | -50 | 0 | 0 | 0 | 110.8 | ||||
| 280 | G | 38.3 | Very low | 44.1 | Very low | 48 Ų | 48 | 113.5 Ų | 113.5 | 50% | 0.495 | 63% | 0.625 | S | S | . | * | trans | -90.3 | 107.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | V278 T282 | V278-G280 PolarHBondContact O-N 2.69Å; G280-T282 VanDerWaalsContact C-N 3.26Å; G280-T282 PolarHBondContact O-N 3.44Å | ||
| 281 | K | 37.7 | Very low | 41.7 | Very low | 219 Ų | 219 | 118.8 Ų | 118.8 | 95% | 0.952 | 66% | 0.656 | S | S | * | * | trans | -48.1 | 98.1 | 160.2 | -97 | 175.7 | 173.2 | 172.2 | 0 | 107.9 | ||||
| 282 | T | 34.7 | Very low | 39.7 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -122.8 | 116.9 | 160.8 | 47.9 | 0 | 0 | 0 | 0 | 106.1 | G280 | G280-T282 VanDerWaalsContact C-N 3.26Å; G280-T282 PolarHBondContact O-N 3.44Å | ||
| 283 | S | 29.9 | Very low | 38.1 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -53.5 | 149 | 178.4 | -27.3 | 0 | 0 | 0 | 0 | 110.6 | I285 | S283-I285 PolarHBondContact O-N 2.97Š| ||
| 284 | P | 34.1 | Very low | 36.9 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | trans | -73.7 | 112.3 | 179.5 | 28.9 | -30 | 0 | 0 | 0 | 110 | ||||
| 285 | I | 31.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 86% | 0.862 | 76% | 0.758 | S | S | * | * | trans | -89.8 | 124.3 | 159.6 | -66.4 | 176.1 | 0 | 0 | 0 | 107.5 | S283 | S283-I285 PolarHBondContact O-N 2.97Š| ||
| 286 | Q | 31.8 | Very low | 34.8 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -64.5 | 137.7 | -177.4 | -75.2 | 174.5 | -13 | 0 | 0 | 113.3 | ||||
| 287 | S | 32.9 | Very low | 34.5 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 44 | 113.9 | 143.7 | 65 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 288 | K | 26.8 | Very low | 34 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | -167.4 | 124.4 | 121.8 | -99.1 | 164.7 | -168.7 | -174.5 | 0 | 109.4 | |||||
| 289 | S | 33.4 | Very low | 33.7 | Very low | 126 Ų | 126 | 147 Ų | 147 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -69.7 | 136.1 | 176.9 | -16 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 290 | P | 29.2 | Very low | 33.5 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -104.9 | 141.2 | 158.1 | 10 | 10.3 | 0 | 0 | 0 | 111.4 | ||||
| 291 | T | 29.1 | Very low | 33.7 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -63.2 | 155 | -175.6 | 17 | 0 | 0 | 0 | 0 | 115.2 | R293 | T291-R293 PolarHBondContact O-N 3.44Š| ||
| 292 | L | 38.3 | Very low | 33.4 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -65.7 | 97 | 176.8 | -144.6 | 152 | 0 | 0 | 0 | 110.6 | ||
| 293 | R | 37.6 | Very low | 33.4 | Very low | 233 Ų | 233 | 148 Ų | 148 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -177 | 142.9 | 155.4 | -96.9 | 159.4 | -154.2 | -147.8 | 7 | 107.9 | T291 | T291-R293 PolarHBondContact O-N 3.44Š| ||
| 294 | D | 34.1 | Very low | 33.3 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | 85.9 | 69.4 | -177 | -55.9 | -36 | 0 | 0 | 0 | 117.2 | ||||
| 295 | M | 31.8 | Very low | 33.3 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -106.8 | 89.1 | 153.9 | -67.3 | -72.1 | 123 | 0 | 0 | 108.1 | ||||
| 296 | N | 30.9 | Very low | 33.5 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | -92.9 | 125 | 166.4 | -172.8 | 11.3 | 0 | 0 | 0 | 108.6 | D298 | N296-D298 VanDerWaalsContact C-N 3.27Å; N296-D298 PolarHBondContact O-N 3.04Å | ||
| 297 | P | 37.7 | Very low | 33.4 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -3.1 | -174.5 | -16 | 30.6 | 0 | 0 | 0 | 116.4 | ||
| 298 | D | 33.2 | Very low | 33.6 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 17.9 | -165.1 | -76.1 | -33 | 0 | 0 | 0 | 117.2 | N296 Y300 | N296-D298 VanDerWaalsContact C-N 3.27Å; N296-D298 PolarHBondContact O-N 3.04Å; D298-Y300 PolarHBondContact O-N 3.42Å |
| 299 | N | 34.4 | Very low | 34 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -93 | 73.3 | 176.6 | -131.8 | 3.8 | 0 | 0 | 0 | 112.4 | ||||
| 300 | Y | 36.8 | Very low | 34.2 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 125.8 | 167.1 | -106.3 | -97.3 | 0 | 0 | 0 | 110.6 | D298 V302 | D298-Y300 PolarHBondContact O-N 3.42Å; Y300-V302 PolarHBondContact O-N 2.97Å; Y300-V302 VanDerWaalsContact O-N 3.17Å | ||
| 301 | L | 41.4 | Very low | 34.6 | Very low | 149 Ų | 149 | 156 Ų | 156 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | 27.7 | 72.8 | 153.6 | -73.8 | 160.3 | 0 | 0 | 0 | 117 | V303 | L301-V303 PolarHBondContact O-N 2.8Š| ||
| 302 | V | 33.4 | Very low | 35 | Very low | 110 Ų | 110 | 158.6 Ų | 158.6 | 67% | 0.667 | 79% | 0.792 | S | S | * | * | trans | -90.4 | 92.8 | 155.6 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | Y300 S304 | Y300-V302 PolarHBondContact O-N 2.97Å; Y300-V302 VanDerWaalsContact O-N 3.17Å; V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 3.29Å; V302-S304 VanDerWaalsContact O-N 3.09Å | ||
| 303 | V | 33.2 | Very low | 35.5 | Very low | 123 Ų | 123 | 158.6 Ų | 158.6 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 95.6 | 160.5 | 177.5 | 0 | 0 | 0 | 0 | 106.4 | L301 A305 | L301-V303 PolarHBondContact O-N 2.8Å; V303-A305 PolarHBondContact O-N 3.05Å | ||
| 304 | S | 29.3 | Very low | 35.7 | Very low | 87 Ų | 87 | 160.3 Ų | 160.3 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | trans | -65.2 | 97.5 | 169 | -63.3 | 0 | 0 | 0 | 0 | 109 | V302 H306 | V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 3.29Å; V302-S304 VanDerWaalsContact O-N 3.09Å; S304-H306 PolarHBondContact O-N 3.45Å | ||
| 305 | A | 34 | Very low | 35.8 | Very low | 70 Ų | 70 | 161 Ų | 161 | 58% | 0.579 | 81% | 0.806 | S | S | * | * | trans | -72.4 | 111.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | V303 Y307 | V303-A305 PolarHBondContact O-N 3.05Å; A305-Y307 HydrophobicContact CB-CD2 4.5Å; A305-Y307 HydrophobicContact CB-CE2 4.27Å; A305-Y307 PolarHBondContact O-N 3.02Å; A305-Y307 VanDerWaalsContact O-N 3.16Å | ||
| 306 | H | 33.6 | Very low | 36 | Very low | 182 Ų | 182 | 159.6 Ų | 159.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 102 | 168.7 | -71.1 | -70.7 | 0 | 0 | 0 | 109.6 | S304 K308 | S304-H306 PolarHBondContact O-N 3.45Å; H306-K308 PolarHBondContact O-N 3.15Å | ||
| 307 | Y | 31.6 | Very low | 36.3 | Very low | 215 Ų | 215 | 161.6 Ų | 161.6 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120.9 | 168 | -82.7 | -91.7 | 0 | 0 | 0 | 109.9 | A305 T309 | A305-Y307 HydrophobicContact CB-CD2 4.5Å; A305-Y307 HydrophobicContact CB-CE2 4.27Å; A305-Y307 PolarHBondContact O-N 3.02Å; A305-Y307 VanDerWaalsContact O-N 3.16Å; Y307-T309 PolarHBondContact O-N 3.3Å |
| 308 | K | 35.7 | Very low | 36.2 | Very low | 204 Ų | 204 | 164.4 Ų | 164.4 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.2 | 166.4 | -76.9 | -178.5 | 176.2 | 177.3 | 0 | 108.9 | H306 K310 | H306-K308 PolarHBondContact O-N 3.15Å; K308-K310 PolarHBondContact O-N 3.17Å |
| 309 | T | 35.4 | Very low | 36.4 | Very low | 143 Ų | 143 | 166.4 Ų | 166.4 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 128.1 | 173.1 | 2.1 | 0 | 0 | 0 | 0 | 110.5 | Y307 K311 | Y307-T309 PolarHBondContact O-N 3.3Å; T309-K311 PolarHBondContact O-N 2.76Å |
| 310 | K | 37 | Very low | 36.5 | Very low | 202 Ų | 202 | 167.3 Ų | 167.3 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120.3 | 176.5 | -156.5 | 176.5 | -175.8 | -177.2 | 0 | 108.2 | K308 E312 | K308-K310 PolarHBondContact O-N 3.17Å; K310-E312 PolarHBondContact O-N 3.37Å |
| 311 | K | 37.8 | Very low | 36.5 | Very low | 197 Ų | 197 | 165.3 Ų | 165.3 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120 | 167.3 | -88.9 | -178.9 | 173.2 | -179.9 | 0 | 108.3 | T309 | T309-K311 PolarHBondContact O-N 2.76Š|
| 312 | E | 38.5 | Very low | 36.1 | Very low | 195 Ų | 195 | 166.5 Ų | 166.5 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 127.5 | 162.7 | -70.9 | -178.6 | 149.5 | 0 | 0 | 108.7 | K310 | K310-E312 PolarHBondContact O-N 3.37Š|
| 313 | I | 47.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 171.3 Ų | 171.3 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 118.7 | 163.3 | -64.1 | 173.1 | 0 | 0 | 0 | 105.2 | ||
| 314 | K | 42.2 | Very low | 36.6 | Very low | 270 Ų | 270 | 175.6 Ų | 175.6 | 100% | 1.174 | 85% | 0.847 | S | S | * | * | trans | -84.7 | 0 | 172 | -133 | -178 | -173.8 | -178.9 | 0 | 109.6 |
Retrieved 314 of 314 residues in 78 ms
(Link to these results)