| 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 | 33.6 | Very low | 36.4 | Very low | 243 Ų | 243 | 132.3 Ų | 132.3 | 100% | 1.197 | 85% | 0.847 | S | S | * | * | 0 | 120.5 | 0 | -81.5 | 171 | 69.4 | 0 | 0 | 108.3 | |||||
| 2 | A | 33.4 | Very low | 38.3 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | 34.1 | 100.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 3 | A | 30.7 | Very low | 40.3 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -74.1 | 124.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | A5 | A3-A5 PolarHBondContact O-N 3.05Š| ||
| 4 | A | 33.1 | Very low | 42.4 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -66.4 | 111.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T6 | A4-T6 PolarHBondContact O-N 3.12Š| ||
| 5 | A | 33.7 | Very low | 44.6 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 109.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A3 T7 | A3-A5 PolarHBondContact O-N 3.05Å; A5-T7 PolarHBondContact O-N 3.32Å; A5-T7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | T | 31.6 | Very low | 46.8 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | -70.4 | 99.7 | 169.3 | -36.1 | 0 | 0 | 0 | 0 | 107.7 | A4 T8 | A4-T6 PolarHBondContact O-N 3.12Å; T6-T8 PolarHBondContact O-N 2.82Å | ||
| 7 | T | 34.7 | Very low | 49.1 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -65.5 | 97.4 | 164.3 | 45.9 | 0 | 0 | 0 | 0 | 107.9 | A5 G9 | A5-T7 PolarHBondContact O-N 3.32Å; A5-T7 VanDerWaalsContact O-N 3.09Å; T7-G9 PolarHBondContact O-N 3.07Å; T7-G9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | T | 39.2 | Very low | 51.4 | Low | 126 Ų | 126 | 111.1 Ų | 111.1 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -60.1 | 113.4 | 163 | 44.4 | 0 | 0 | 0 | 0 | 107.4 | T6 L10 | T6-T8 PolarHBondContact O-N 2.82Å; T8-L10 PolarHBondContact O-N 3.11Å | ||
| 9 | G | 35.3 | Very low | 53.4 | Low | 67 Ų | 67 | 109.7 Ų | 109.7 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | -56.7 | 132.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T7 E11 | T7-G9 PolarHBondContact O-N 3.07Å; T7-G9 VanDerWaalsContact O-N 3.15Å; G9-E11 VanDerWaalsContact C-N 3.27Å; G9-E11 PolarHBondContact O-N 3.07Å | ||
| 10 | L | 40.7 | Very low | 55.2 | Low | 181 Ų | 181 | 107.6 Ų | 107.6 | 95% | 0.948 | 68% | 0.68 | S | S | * | * | trans | -61.7 | 95.2 | 159 | -85 | 134.7 | 0 | 0 | 0 | 106.8 | T8 A12 | T8-L10 PolarHBondContact O-N 3.11Å; L10-A12 PolarHBondContact O-N 2.96Å | ||
| 11 | E | 54.2 | Low | 56.8 | Low | 185 Ų | 185 | 106.6 Ų | 106.6 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55 | 132.1 | 163.7 | -78 | -173.8 | 149.9 | 0 | 0 | 107.7 | G9 | G9-E11 VanDerWaalsContact C-N 3.27Å; G9-E11 PolarHBondContact O-N 3.07Å |
| 12 | A | 59.9 | Low | 59.6 | Low | 86 Ų | 86 | 95.5 Ų | 95.5 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143 | 176 | 0 | 0 | 0 | 0 | 0 | 109.1 | L10 E14 | L10-A12 PolarHBondContact O-N 2.96Å; A12-E14 PolarHBondContact O-N 3.41Å |
| 13 | P | 64.3 | Low | 62.4 | Low | 85 Ų | 85 | 95.9 Ų | 95.9 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 128.9 | 179.9 | -22.6 | 30.6 | 0 | 0 | 0 | 110.2 | D130 | P13-D130 HydrophobicContact CB-CB 4.35Š|
| 14 | E | 68.6 | Low | 65.3 | Low | 103 Ų | 103 | 97.9 Ų | 97.9 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 133.3 | 175.4 | -82.8 | -159.3 | 153.4 | 0 | 0 | 108.9 | A12 M16 Y265 | A12-E14 PolarHBondContact O-N 3.41Å; E14-M16 PolarHBondContact O-N 3.41Å; E14-Y265 PolarHBondContact OE2-OH 2.69Å |
| 15 | P | 76.3 | Confident | 68.1 | Low | 119 Ų | 119 | 97.7 Ų | 97.7 | 77% | 0.773 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.7 | 176.2 | 25.2 | -33 | 0 | 0 | 0 | 109.7 | ||
| 16 | M | 79.3 | Confident | 70.7 | Confident | 86 Ų | 86 | 94 Ų | 94 | 42% | 0.424 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 133.5 | 179.7 | -79.4 | -163.2 | -58.4 | 0 | 0 | 110.5 | E14 K262 | E14-M16 PolarHBondContact O-N 3.41Å; M16-K262 HydrophobicContact SD-CG 4.06Å |
| 17 | P | 86 | Confident | 73.5 | Confident | 9 Ų | 9 | 96.1 Ų | 96.1 | 6% | 0.058 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 155.9 | -178 | 29.8 | -36.3 | 0 | 0 | 0 | 111.1 | Q21 M22 L261 Y265 | P17-Q21 HydrophobicContact CB-CB 4Å; P17-M22 HydrophobicContact CG-CB 4.3Å; P17-L261 WeakPolarHBondContact O-CD2 3.22Å; P17-Y265 HydrophobicContact CB-CD2 4.5Å; P17-Y265 HydrophobicContact CB-CE2 4.28Å; P17-Y265 HydrophobicContact CG-CD1 3.91Å; P17-Y265 HydrophobicContact CG-CD2 3.71Å; P17-Y265 HydrophobicContact CG-CE1 4.06Å; P17-Y265 HydrophobicContact CG-CE2 3.86Å; P17-Y265 HydrophobicContact CG-CG 3.72Å |
| 18 | S | 90.7 | Very high | 76.2 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 161.8 | 163.3 | 75.9 | 0 | 0 | 0 | 0 | 110.9 | A20 Q21 M22 | S18-A20 VanDerWaalsContact C-N 3.26Å; S18-A20 PolarHBondContact O-N 2.87Å; S18-Q21 PolarHBondContact O-N 3.1Å; S18-Q21 VanDerWaalsContact O-N 3.14Å; S18-Q21 WeakPolarHBondContact OG-CG 3.21Å; S18-Q21 PolarHBondContact OG-N 3.46Å; S18-Q21 PolarHBondContact OG-OE1 2.98Å; S18-M22 WeakPolarHBondContact O-CB 3.41Å; S18-M22 PolarHBondContact O-N 2.78Å |
| 19 | Y | 88.5 | Confident | 78.6 | Confident | 84 Ų | 84 | 87.4 Ų | 87.4 | 33% | 0.329 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -54.3 | -42.7 | 175.2 | -94.2 | -92.2 | 0 | 0 | 0 | 113.1 | M22 L23 L256 Y257 P260 L261 | Y19-M22 HydrophobicContact CD1-CE 4.2Å; Y19-M22 HydrophobicContact CE1-CE 4.36Å; Y19-M22 PolarHBondContact O-N 3.22Å; Y19-L23 WeakPolarHBondContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CG 3.37Å; Y19-L23 PolarHBondContact O-N 3.42Å; Y19-L256 PolarHBondContact OH-O 3.37Å; Y19-Y257 AromaticContact CE2-CD2 3.64Å; Y19-Y257 HydrophobicContact CE2-CD2 3.64Å; Y19-Y257 AromaticContact CE2-CE2 3.9Å; Y19-Y257 HydrophobicContact CE2-CE2 3.9Å; Y19-Y257 WeakPolarHBondContact OH-CA 3.18Å; Y19-Y257 PolarHBondContact OH-O 3.36Å; Y19-P260 HydrophobicContact CE1-CB 4.05Å; Y19-P260 HydrophobicContact CE1-CG 4.38Å; Y19-L261 HydrophobicContact CD2-CD1 4.39Å; Y19-L261 HydrophobicContact CD2-CD2 4.05Å; Y19-L261 HydrophobicContact CD2-CG 4.42Å; Y19-L261 HydrophobicContact CE2-CD1 3.83Å; Y19-L261 HydrophobicContact CE2-CD2 3.91Å; Y19-L261 HydrophobicContact CE2-CG 3.81Å; Y19-L261 HydrophobicContact CG-CD2 4.48Å |
| 20 | A | 89.6 | Confident | 81.1 | Confident | 68 Ų | 68 | 85.5 Ų | 85.5 | 56% | 0.562 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S18 L23 Q24 | S18-A20 VanDerWaalsContact C-N 3.26Å; S18-A20 PolarHBondContact O-N 2.87Å; A20-L23 PolarHBondContact O-N 3.28Å; A20-Q24 VanDerWaalsContact O-CB 3.28Å; A20-Q24 WeakPolarHBondContact O-CB 3.4Å; A20-Q24 PolarHBondContact O-N 2.74Å |
| 21 | Q | 90 | Very high | 83.5 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 41% | 0.407 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.7 | -72.7 | 170.9 | -24.8 | 0 | 0 | 111.7 | P17 S18 Q24 R25 | P17-Q21 HydrophobicContact CB-CB 4Å; S18-Q21 PolarHBondContact O-N 3.1Å; S18-Q21 VanDerWaalsContact O-N 3.14Å; S18-Q21 WeakPolarHBondContact OG-CG 3.21Å; S18-Q21 PolarHBondContact OG-N 3.46Å; S18-Q21 PolarHBondContact OG-OE1 2.98Å; Q21-Q24 PolarHBondContact O-N 3.23Å; Q21-R25 VanDerWaalsContact O-CB 3.23Å; Q21-R25 WeakPolarHBondContact O-CB 3.49Å; Q21-R25 VanDerWaalsContact O-CG 3.22Å; Q21-R25 WeakPolarHBondContact O-CG 3.46Å; Q21-R25 PolarHBondContact O-N 3.15Å |
| 22 | M | 92.4 | Very high | 85.1 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 5% | 0.049 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.7 | -53 | 176 | 179.8 | -159 | 74.7 | 0 | 0 | 110.4 | P17 S18 Y19 Q24 R25 S26 P260 L261 Y265 | P17-M22 HydrophobicContact CG-CB 4.3Å; S18-M22 WeakPolarHBondContact O-CB 3.41Å; S18-M22 PolarHBondContact O-N 2.78Å; Y19-M22 HydrophobicContact CD1-CE 4.2Å; Y19-M22 HydrophobicContact CE1-CE 4.36Å; Y19-M22 PolarHBondContact O-N 3.22Å; M22-Q24 PolarHBondContact O-N 3.02Å; M22-R25 PolarHBondContact O-N 2.73Å; M22-S26 WeakPolarHBondContact O-CB 3.41Å; M22-S26 PolarHBondContact O-N 3.4Å; M22-S26 PolarHBondContact O-OG 3.49Å; M22-P260 HydrophobicContact CE-CB 4.07Å; M22-P260 HydrophobicContact SD-CB 3.77Å; M22-L261 HydrophobicContact CB-CD2 4.3Å; M22-L261 HydrophobicContact SD-CD2 4.06Å; M22-Y265 HydrophobicContact CB-CD2 4.43Å; M22-Y265 HydrophobicContact CG-CD2 4.15Å |
| 23 | L | 90.9 | Very high | 86.3 | Confident | 111 Ų | 111 | 71 Ų | 71 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.7 | -46.9 | -179.2 | -71.9 | 172.8 | 0 | 0 | 0 | 111.7 | Y19 A20 W27 | Y19-L23 WeakPolarHBondContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CG 3.37Å; Y19-L23 PolarHBondContact O-N 3.42Å; A20-L23 PolarHBondContact O-N 3.28Å; L23-W27 WeakPolarHBondContact O-CB 3.48Å; L23-W27 PolarHBondContact O-N 3.34Å |
| 24 | Q | 92.8 | Very high | 87.3 | Confident | 144 Ų | 144 | 69.5 Ų | 69.5 | 67% | 0.673 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.2 | -47.4 | 180 | -175.3 | -177.8 | -0.6 | 0 | 0 | 112 | A20 Q21 M22 A28 | A20-Q24 VanDerWaalsContact O-CB 3.28Å; A20-Q24 WeakPolarHBondContact O-CB 3.4Å; A20-Q24 PolarHBondContact O-N 2.74Å; Q21-Q24 PolarHBondContact O-N 3.23Å; M22-Q24 PolarHBondContact O-N 3.02Å; Q24-A28 WeakPolarHBondContact O-CB 3.35Å; Q24-A28 PolarHBondContact O-N 3.18Å |
| 25 | R | 90.8 | Very high | 88.1 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 35% | 0.347 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.1 | -46.7 | -179 | -72.1 | 178.4 | 180 | -167.9 | -0.5 | 111.7 | Q21 M22 W27 A28 S29 Y265 | Q21-R25 VanDerWaalsContact O-CB 3.23Å; Q21-R25 WeakPolarHBondContact O-CB 3.49Å; Q21-R25 VanDerWaalsContact O-CG 3.22Å; Q21-R25 WeakPolarHBondContact O-CG 3.46Å; Q21-R25 PolarHBondContact O-N 3.15Å; M22-R25 PolarHBondContact O-N 2.73Å; R25-W27 VanDerWaalsContact C-N 3.33Å; R25-W27 PolarHBondContact O-N 3.17Å; R25-A28 PolarHBondContact O-N 2.88Å; R25-S29 WeakPolarHBondContact O-CB 3.43Å; R25-S29 PolarHBondContact O-N 3.14Å; R25-S29 PolarHBondContact O-OG 3.05Å; R25-Y265 HydrophobicContact CB-CE2 4.49Å; R25-Y265 PolarHBondContact NH1-OH 3.37Å |
| 26 | S | 89.5 | Confident | 88.2 | Confident | 16 Ų | 16 | 72 Ų | 72 | 11% | 0.112 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 177.3 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | M22 A30 C268 | M22-S26 WeakPolarHBondContact O-CB 3.41Å; M22-S26 PolarHBondContact O-N 3.4Å; M22-S26 PolarHBondContact O-OG 3.49Å; S26-A30 VanDerWaalsContact O-CB 3.31Å; S26-A30 WeakPolarHBondContact O-CB 3.39Å; S26-A30 PolarHBondContact O-N 3.27Å; S26-C268 WeakPolarHBondContact OG-CB 3.45Å |
| 27 | W | 89.9 | Confident | 88 | Confident | 173 Ų | 173 | 70.9 Ų | 70.9 | 66% | 0.655 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 176.1 | -178.9 | -110.2 | 0 | 0 | 0 | 112.3 | L23 R25 S29 A30 L31 | L23-W27 WeakPolarHBondContact O-CB 3.48Å; L23-W27 PolarHBondContact O-N 3.34Å; R25-W27 VanDerWaalsContact C-N 3.33Å; R25-W27 PolarHBondContact O-N 3.17Å; W27-S29 PolarHBondContact O-N 2.82Å; W27-A30 PolarHBondContact O-N 2.73Å; W27-L31 HydrophobicContact CD2-CD1 4.33Å; W27-L31 HydrophobicContact CD2-CG 4.33Å; W27-L31 HydrophobicContact CG-CD1 4.4Å; W27-L31 HydrophobicContact CZ2-CD1 4.06Å; W27-L31 HydrophobicContact CZ2-CD2 4.06Å; W27-L31 HydrophobicContact CZ2-CG 4.15Å; W27-L31 WeakPolarHBondContact O-CB 3.19Å; W27-L31 WeakPolarHBondContact O-CG 3.4Å; W27-L31 PolarHBondContact O-N 3.12Å |
| 28 | A | 91.1 | Very high | 87.1 | Confident | 55 Ų | 55 | 73.8 Ų | 73.8 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q24 R25 L31 A32 | Q24-A28 WeakPolarHBondContact O-CB 3.35Å; Q24-A28 PolarHBondContact O-N 3.18Å; R25-A28 PolarHBondContact O-N 2.88Å; A28-L31 PolarHBondContact O-N 2.64Å; A28-A32 WeakPolarHBondContact O-CB 3.43Å; A28-A32 PolarHBondContact O-N 3.19Å |
| 29 | S | 89.5 | Confident | 86 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 13% | 0.126 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.8 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | R25 W27 L31 A32 A33 C268 H269 | R25-S29 WeakPolarHBondContact O-CB 3.43Å; R25-S29 PolarHBondContact O-N 3.14Å; R25-S29 PolarHBondContact O-OG 3.05Å; W27-S29 PolarHBondContact O-N 2.82Å; S29-L31 PolarHBondContact O-N 3.1Å; S29-A32 PolarHBondContact O-N 2.85Å; S29-A33 WeakPolarHBondContact O-CB 3.45Å; S29-A33 PolarHBondContact O-N 3.26Å; S29-C268 WeakPolarHBondContact CB-O 3.47Å; S29-H269 PolarHBondContact OG-ND1 3.16Å |
| 30 | A | 88.9 | Confident | 85 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 22% | 0.215 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | S26 W27 A33 A34 | S26-A30 VanDerWaalsContact O-CB 3.31Å; S26-A30 WeakPolarHBondContact O-CB 3.39Å; S26-A30 PolarHBondContact O-N 3.27Å; W27-A30 PolarHBondContact O-N 2.73Å; A30-A33 PolarHBondContact O-N 3.25Å; A30-A34 VanDerWaalsContact O-CB 3.3Å; A30-A34 WeakPolarHBondContact O-CB 3.28Å; A30-A34 PolarHBondContact O-N 3.12Å |
| 31 | L | 89.5 | Confident | 84.3 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 30% | 0.304 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 175.6 | -78.3 | 179.6 | 0 | 0 | 0 | 112.5 | W27 A28 S29 A34 R35 | W27-L31 HydrophobicContact CD2-CD1 4.33Å; W27-L31 HydrophobicContact CD2-CG 4.33Å; W27-L31 HydrophobicContact CG-CD1 4.4Å; W27-L31 HydrophobicContact CZ2-CD1 4.06Å; W27-L31 HydrophobicContact CZ2-CD2 4.06Å; W27-L31 HydrophobicContact CZ2-CG 4.15Å; W27-L31 WeakPolarHBondContact O-CB 3.19Å; W27-L31 WeakPolarHBondContact O-CG 3.4Å; W27-L31 PolarHBondContact O-N 3.12Å; A28-L31 PolarHBondContact O-N 2.64Å; S29-L31 PolarHBondContact O-N 3.1Å; L31-A34 PolarHBondContact O-N 2.98Å; L31-R35 WeakPolarHBondContact O-CB 3.32Å; L31-R35 VanDerWaalsContact O-CG 3.31Å; L31-R35 WeakPolarHBondContact O-CG 3.38Å; L31-R35 PolarHBondContact O-N 3.33Å |
| 32 | A | 87.8 | Confident | 83.4 | Confident | 62 Ų | 62 | 84.2 Ų | 84.2 | 51% | 0.512 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | A28 S29 A34 R35 G36 | A28-A32 WeakPolarHBondContact O-CB 3.43Å; A28-A32 PolarHBondContact O-N 3.19Å; S29-A32 PolarHBondContact O-N 2.85Å; A32-A34 VanDerWaalsContact C-N 3.31Å; A32-A34 PolarHBondContact O-N 3.14Å; A32-R35 PolarHBondContact O-N 3.42Å; A32-G36 PolarHBondContact O-N 3.36Å |
| 33 | A | 85.4 | Confident | 82.7 | Confident | 28 Ų | 28 | 85.8 Ų | 85.8 | 23% | 0.231 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S29 A30 G36 C37 L272 Y281 F282 | S29-A33 WeakPolarHBondContact O-CB 3.45Å; S29-A33 PolarHBondContact O-N 3.26Å; A30-A33 PolarHBondContact O-N 3.25Å; A33-G36 PolarHBondContact O-N 2.86Å; A33-C37 PolarHBondContact O-N 3.39Å; A33-L272 HydrophobicContact CB-CD1 3.95Å; A33-Y281 HydrophobicContact CB-CE1 4.45Å; A33-F282 HydrophobicContact CB-CE2 4.26Å; A33-F282 HydrophobicContact CB-CZ 3.78Å |
| 34 | A | 85.4 | Confident | 82.1 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A30 L31 A32 C37 F282 | A30-A34 VanDerWaalsContact O-CB 3.3Å; A30-A34 WeakPolarHBondContact O-CB 3.28Å; A30-A34 PolarHBondContact O-N 3.12Å; L31-A34 PolarHBondContact O-N 2.98Å; A32-A34 VanDerWaalsContact C-N 3.31Å; A32-A34 PolarHBondContact O-N 3.14Å; A34-C37 WeakPolarHBondContact O-CB 3.37Å; A34-C37 PolarHBondContact O-N 2.83Å; A34-F282 HydrophobicContact CB-CE1 4.48Å; A34-F282 HydrophobicContact CB-CZ 4Å |
| 35 | R | 86.2 | Confident | 81.5 | Confident | 209 Ų | 209 | 79.7 Ų | 79.7 | 79% | 0.789 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.1 | -30.3 | 176.8 | -72.7 | 174.3 | -177.8 | 167.5 | 0.9 | 113.1 | L31 A32 C37 | L31-R35 WeakPolarHBondContact O-CB 3.32Å; L31-R35 VanDerWaalsContact O-CG 3.31Å; L31-R35 WeakPolarHBondContact O-CG 3.38Å; L31-R35 PolarHBondContact O-N 3.33Å; A32-R35 PolarHBondContact O-N 3.42Å; R35-C37 VanDerWaalsContact C-N 3.28Å |
| 36 | G | 77.9 | Confident | 81.1 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | A32 A33 G38 | A32-G36 PolarHBondContact O-N 3.36Å; A33-G36 PolarHBondContact O-N 2.86Å; G36-G38 PolarHBondContact O-N 3.34Å |
| 37 | C | 75.4 | Confident | 80.7 | Confident | 63 Ų | 63 | 91 Ų | 91 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | trans | -80.8 | 89.2 | -176.4 | -162.3 | 0 | 0 | 0 | 0 | 111.1 | A33 A34 R35 | A33-C37 PolarHBondContact O-N 3.39Å; A34-C37 WeakPolarHBondContact O-CB 3.37Å; A34-C37 PolarHBondContact O-N 2.83Å; R35-C37 VanDerWaalsContact C-N 3.28Å | ||
| 38 | G | 67.1 | Low | 80.3 | Confident | 71 Ų | 71 | 83.4 Ų | 83.4 | 73% | 0.732 | 49% | 0.492 | S | S | * | . | trans | -79.8 | -32.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G36 | G36-G38 PolarHBondContact O-N 3.34Š| ||
| 39 | D | 66.9 | Low | 79.9 | Confident | 138 Ų | 138 | 85 Ų | 85 | 74% | 0.738 | 49% | 0.493 | S | S | * | . | trans | -119.9 | 90.4 | -178.3 | -72.8 | -34.5 | 0 | 0 | 0 | 110.3 | L44 | D39-L44 HydrophobicContact CB-CD2 4.49Å; D39-L44 WeakPolarHBondContact O-CD2 3.4Å | ||
| 40 | C | 67.4 | Low | 79.5 | Confident | 110 Ų | 110 | 88.1 Ų | 88.1 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | trans | -110 | 129.5 | 173.3 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 41 | G | 74.8 | Confident | 79.1 | Confident | 44 Ų | 44 | 92.7 Ų | 92.7 | 45% | 0.454 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 175.5 | 163.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G43 L44 A45 | G41-G43 VanDerWaalsContact C-N 3.29Å; G41-G43 PolarHBondContact O-N 3.34Å; G41-L44 PolarHBondContact O-N 3.08Å; G41-A45 PolarHBondContact O-N 2.91Å; G41-A45 VanDerWaalsContact O-N 3.08Å |
| 42 | W | 72.2 | Confident | 78.8 | Confident | 222 Ų | 222 | 92.1 Ų | 92.1 | 84% | 0.841 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.3 | -36.4 | -178.3 | -177.1 | -110.6 | 0 | 0 | 0 | 113.5 | A45 R46 | W42-A45 PolarHBondContact O-N 2.97Å; W42-R46 WeakPolarHBondContact O-CB 3.33Å; W42-R46 PolarHBondContact O-N 3.13Å |
| 43 | G | 76.8 | Confident | 78.7 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | G41 R47 | G41-G43 VanDerWaalsContact C-N 3.29Å; G41-G43 PolarHBondContact O-N 3.34Å; G43-R47 WeakPolarHBondContact O-CG 3.45Å; G43-R47 PolarHBondContact O-N 2.9Å; G43-R47 PolarHBondContact O-NE 3.36Å |
| 44 | L | 79.1 | Confident | 78.7 | Confident | 87 Ų | 87 | 92.4 Ų | 92.4 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.2 | -44.9 | 174 | -175.9 | 66.9 | 0 | 0 | 0 | 110.8 | D39 G41 R46 R47 G48 | D39-L44 HydrophobicContact CB-CD2 4.49Å; D39-L44 WeakPolarHBondContact O-CD2 3.4Å; G41-L44 PolarHBondContact O-N 3.08Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-R47 PolarHBondContact O-N 3.48Å; L44-G48 PolarHBondContact O-N 3.31Å |
| 45 | A | 79.9 | Confident | 78.6 | Confident | 39 Ų | 39 | 93.1 Ų | 93.1 | 32% | 0.322 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G41 W42 R47 G48 L49 Y280 | G41-A45 PolarHBondContact O-N 2.91Å; G41-A45 VanDerWaalsContact O-N 3.08Å; W42-A45 PolarHBondContact O-N 2.97Å; A45-R47 VanDerWaalsContact C-N 3.35Å; A45-R47 PolarHBondContact O-N 2.77Å; A45-G48 PolarHBondContact O-N 3.12Å; A45-L49 PolarHBondContact O-N 2.96Å; A45-Y280 PolarHBondContact O-OH 3.29Å |
| 46 | R | 82 | Confident | 78.6 | Confident | 190 Ų | 190 | 85.3 Ų | 85.3 | 72% | 0.717 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -41.3 | 178.9 | -176.8 | 177.9 | 160.6 | -172.3 | -5.5 | 113.1 | W42 L44 L49 A50 | W42-R46 WeakPolarHBondContact O-CB 3.33Å; W42-R46 PolarHBondContact O-N 3.13Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 2.92Å; R46-L49 PolarHBondContact O-N 3.45Å; R46-A50 PolarHBondContact O-N 3.47Å |
| 47 | R | 81.8 | Confident | 79.1 | Confident | 157 Ų | 157 | 85.8 Ų | 85.8 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.4 | -48.1 | 176.2 | -74.6 | -175.2 | -68.6 | -171.1 | 4 | 111.7 | G43 L44 A45 L49 A50 E51 | G43-R47 WeakPolarHBondContact O-CG 3.45Å; G43-R47 PolarHBondContact O-N 2.9Å; G43-R47 PolarHBondContact O-NE 3.36Å; L44-R47 PolarHBondContact O-N 3.48Å; A45-R47 VanDerWaalsContact C-N 3.35Å; A45-R47 PolarHBondContact O-N 2.77Å; R47-L49 PolarHBondContact O-N 3.21Å; R47-A50 WeakPolarHBondContact O-CB 3.38Å; R47-A50 PolarHBondContact O-N 3.19Å; R47-E51 WeakPolarHBondContact O-CG 3.45Å; R47-E51 PolarHBondContact O-N 2.94Å |
| 48 | G | 80.6 | Confident | 79.8 | Confident | 12 Ų | 12 | 87.2 Ų | 87.2 | 12% | 0.124 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -60.3 | -30.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L44 A45 H52 | L44-G48 PolarHBondContact O-N 3.31Å; A45-G48 PolarHBondContact O-N 3.12Å; G48-H52 VanDerWaalsContact O-CB 3.29Å; G48-H52 WeakPolarHBondContact O-CB 3.32Å; G48-H52 PolarHBondContact O-CD2 2.96Å; G48-H52 VanDerWaalsContact O-CD2 3.29Å; G48-H52 PolarHBondContact O-N 3.46Å |
| 49 | L | 82.9 | Confident | 80.9 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 173.4 | -162.3 | 70.4 | 0 | 0 | 0 | 110.5 | A45 R46 R47 E51 A53 F196 Y280 | A45-L49 PolarHBondContact O-N 2.96Å; R46-L49 PolarHBondContact O-N 3.45Å; R47-L49 PolarHBondContact O-N 3.21Å; L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 3.43Å; L49-A53 HydrophobicContact CD1-CB 3.87Å; L49-A53 HydrophobicContact CG-CB 4.02Å; L49-A53 WeakPolarHBondContact O-CA 2.76Å; L49-A53 WeakPolarHBondContact O-CB 3.28Å; L49-A53 PolarHBondContact O-N 3.32Å; L49-F196 HydrophobicContact CD1-CE1 4.02Å; L49-F196 HydrophobicContact CD1-CZ 4Å; L49-Y280 WeakPolarHBondContact CA-OH 3.46Å; L49-Y280 WeakPolarHBondContact CB-OH 3.44Å; L49-Y280 HydrophobicContact CD1-CE2 4.46Å; L49-Y280 PolarHBondContact N-OH 2.92Å |
| 50 | A | 80.7 | Confident | 82 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 70% | 0.702 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.4 | -33.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R46 R47 | R46-A50 PolarHBondContact O-N 3.47Å; R47-A50 WeakPolarHBondContact O-CB 3.38Å; R47-A50 PolarHBondContact O-N 3.19Å |
| 51 | E | 82.1 | Confident | 83.3 | Confident | 122 Ų | 122 | 85.2 Ų | 85.2 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -81 | -38.3 | -178.6 | -72 | 170.3 | -167.3 | 0 | 0 | 113.3 | R47 L49 H54 | R47-E51 WeakPolarHBondContact O-CG 3.45Å; R47-E51 PolarHBondContact O-N 2.94Å; L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 3.43Å; E51-H54 PolarHBondContact O-NE2 2.92Å |
| 52 | H | 82.6 | Confident | 84.2 | Confident | 46 Ų | 46 | 87.1 Ų | 87.1 | 21% | 0.213 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -109.8 | -17.7 | -171.4 | -61.8 | -64.9 | 0 | 0 | 0 | 114.9 | G48 H54 S140 F196 P279 | G48-H52 VanDerWaalsContact O-CB 3.29Å; G48-H52 WeakPolarHBondContact O-CB 3.32Å; G48-H52 PolarHBondContact O-CD2 2.96Å; G48-H52 VanDerWaalsContact O-CD2 3.29Å; G48-H52 PolarHBondContact O-N 3.46Å; H52-H54 PolarHBondContact O-CD2 3.47Å; H52-H54 PolarHBondContact O-N 3.36Å; H52-S140 PolarHBondContact ND1-OG 3.44Å; H52-F196 HydrophobicContact CB-CD1 4.24Å; H52-P279 HydrophobicContact CB-CB 4.27Å; H52-P279 HydrophobicContact CB-CG 4.27Å |
| 53 | A | 85.9 | Confident | 85.3 | Confident | 33 Ų | 33 | 77.6 Ų | 77.6 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | trans | -84 | 102.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L49 A195 F196 | L49-A53 HydrophobicContact CD1-CB 3.87Å; L49-A53 HydrophobicContact CG-CB 4.02Å; L49-A53 WeakPolarHBondContact O-CA 2.76Å; L49-A53 WeakPolarHBondContact O-CB 3.28Å; L49-A53 PolarHBondContact O-N 3.32Å; A53-A195 HydrophobicContact CB-CB 4.18Å; A53-F196 HydrophobicContact CB-CE1 4.11Å | ||
| 54 | H | 85.1 | Confident | 86.1 | Confident | 62 Ų | 62 | 78 Ų | 78 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | trans | -103.8 | 91.2 | 177.1 | -57.9 | -77.2 | 0 | 0 | 0 | 109.9 | E51 H52 S140 G141 A195 R197 | E51-H54 PolarHBondContact O-NE2 2.92Å; H52-H54 PolarHBondContact O-CD2 3.47Å; H52-H54 PolarHBondContact O-N 3.36Å; H54-S140 PolarHBondContact NE2-OG 3.04Å; H54-G141 WeakPolarHBondContact CD2-CA 3.4Å; H54-G141 PolarHBondContact CD2-N 3.31Å; H54-G141 VanDerWaalsContact CD2-N 3.32Å; H54-G141 WeakPolarHBondContact NE2-CA 3.41Å; H54-G141 PolarHBondContact NE2-N 2.88Å; H54-G141 VanDerWaalsContact NE2-N 3.18Å; H54-A195 PolarHBondContact N-O 3.07Å; H54-R197 VanDerWaalsContact CB-NH2 3.28Å; H54-R197 PolarHBondContact O-NH1 3.11Å; H54-R197 PolarHBondContact O-NH2 3.3Å | ||
| 55 | L | 84.3 | Confident | 87 | Confident | 68 Ų | 68 | 78.6 Ų | 78.6 | 36% | 0.356 | 44% | 0.438 | S | S | . | . | trans | -132.7 | 115 | 177.2 | -152.2 | 69.2 | 0 | 0 | 0 | 109.2 | L60 Y194 | L55-L60 HydrophobicContact CD2-CD1 4.14Å; L55-L60 HydrophobicContact CD2-CD2 3.54Å; L55-L60 HydrophobicContact CD2-CG 3.94Å; L55-L60 HydrophobicContact CG-CD2 4.22Å; L55-L60 HydrophobicContact CG-CG 4.22Å; L55-Y194 HydrophobicContact CD1-CD1 3.46Å; L55-Y194 VanDerWaalsContact CD1-CD1 3.46Å; L55-Y194 HydrophobicContact CD1-CE1 4.05Å; L55-Y194 HydrophobicContact CD1-CG 4.47Å | ||
| 56 | A | 85.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | trans | -83.4 | 139.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P58 E59 L60 | A56-P58 VanDerWaalsContact C-CD 3.4Å; A56-P58 VanDerWaalsContact C-N 3.3Å; A56-E59 HydrophobicContact CB-CG 4.01Å; A56-E59 WeakPolarHBondContact CB-OE2 3.35Å; A56-E59 PolarHBondContact N-OE2 3.24Å; A56-E59 WeakPolarHBondContact O-CB 3.45Å; A56-E59 PolarHBondContact O-N 3.16Å; A56-L60 PolarHBondContact O-N 2.9Å | ||
| 57 | A | 87.5 | Confident | 88.5 | Confident | 76 Ų | 76 | 70 Ų | 70 | 63% | 0.628 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -54.7 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | E59 L60 L61 | A57-E59 VanDerWaalsContact C-N 3.3Å; A57-E59 PolarHBondContact O-N 3.16Å; A57-L60 PolarHBondContact O-N 3.44Å; A57-L61 PolarHBondContact O-N 2.84Å |
| 58 | P | 91 | Very high | 89.2 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61 | -34.3 | 172.9 | -24.8 | 35.7 | 0 | 0 | 0 | 113.9 | A56 L61 L62 | A56-P58 VanDerWaalsContact C-CD 3.4Å; A56-P58 VanDerWaalsContact C-N 3.3Å; P58-L61 PolarHBondContact O-N 2.76Å; P58-L62 VanDerWaalsContact O-CB 3.28Å; P58-L62 WeakPolarHBondContact O-CB 3.39Å; P58-L62 PolarHBondContact O-N 3.47Å |
| 59 | E | 89.9 | Confident | 90 | Very high | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.318 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 177.9 | -62.3 | 172.5 | 138.6 | 0 | 0 | 110.8 | A56 A57 L62 A63 Y194 | A56-E59 HydrophobicContact CB-CG 4.01Å; A56-E59 WeakPolarHBondContact CB-OE2 3.35Å; A56-E59 PolarHBondContact N-OE2 3.24Å; A56-E59 WeakPolarHBondContact O-CB 3.45Å; A56-E59 PolarHBondContact O-N 3.16Å; A57-E59 VanDerWaalsContact C-N 3.3Å; A57-E59 PolarHBondContact O-N 3.16Å; E59-L62 PolarHBondContact O-N 3.04Å; E59-A63 WeakPolarHBondContact O-CB 3.48Å; E59-A63 PolarHBondContact O-N 2.98Å; E59-Y194 PolarHBondContact OE1-OH 3Å; E59-Y194 VanDerWaalsContact OE1-OH 3.11Å |
| 60 | L | 90.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 67.7 Ų | 67.7 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.2 | -73 | 176.8 | 0 | 0 | 0 | 112.1 | L55 A56 A57 L62 A63 A64 | L55-L60 HydrophobicContact CD2-CD1 4.14Å; L55-L60 HydrophobicContact CD2-CD2 3.54Å; L55-L60 HydrophobicContact CD2-CG 3.94Å; L55-L60 HydrophobicContact CG-CD2 4.22Å; L55-L60 HydrophobicContact CG-CG 4.22Å; A56-L60 PolarHBondContact O-N 2.9Å; A57-L60 PolarHBondContact O-N 3.44Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-A63 PolarHBondContact O-N 2.99Å; L60-A64 WeakPolarHBondContact O-CB 3.37Å; L60-A64 PolarHBondContact O-N 3.32Å |
| 61 | L | 93.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 65 Ų | 65 | 58% | 0.576 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.2 | -45.5 | 175.8 | 178 | 61.5 | 0 | 0 | 0 | 110.7 | A57 P58 A63 A64 L65 | A57-L61 PolarHBondContact O-N 2.84Å; P58-L61 PolarHBondContact O-N 2.76Å; L61-A63 PolarHBondContact O-N 3.34Å; L61-A64 PolarHBondContact O-N 3.15Å; L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.29Å; L61-L65 HydrophobicContact CG-CD1 4.14Å; L61-L65 HydrophobicContact CG-CG 4.5Å; L61-L65 VanDerWaalsContact O-CG 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.5Å; L61-L65 PolarHBondContact O-N 3.05Å |
| 62 | L | 94.8 | Very high | 92.1 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 45% | 0.445 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 177.1 | -177.2 | 61 | 0 | 0 | 0 | 111.3 | P58 E59 L60 A64 L65 C66 L153 | P58-L62 VanDerWaalsContact O-CB 3.28Å; P58-L62 WeakPolarHBondContact O-CB 3.39Å; P58-L62 PolarHBondContact O-N 3.47Å; E59-L62 PolarHBondContact O-N 3.04Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.29Å; L62-L65 PolarHBondContact O-N 3.39Å; L62-C66 WeakPolarHBondContact O-CB 3.38Å; L62-C66 PolarHBondContact O-N 3.32Å; L62-C66 PolarHBondContact O-SG 3.11Å; L62-L153 HydrophobicContact CD2-CD1 4.36Å; L62-L153 HydrophobicContact CD2-CD2 3.62Å; L62-L153 HydrophobicContact CG-CD1 4.07Å; L62-L153 HydrophobicContact CG-CD2 3.92Å |
| 63 | A | 94.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 64.3 Ų | 64.3 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E59 L60 L61 C66 A67 L153 S157 | E59-A63 WeakPolarHBondContact O-CB 3.48Å; E59-A63 PolarHBondContact O-N 2.98Å; L60-A63 PolarHBondContact O-N 2.99Å; L61-A63 PolarHBondContact O-N 3.34Å; A63-C66 PolarHBondContact O-N 3.02Å; A63-A67 WeakPolarHBondContact O-CB 3.36Å; A63-A67 PolarHBondContact O-N 3.34Å; A63-L153 HydrophobicContact CB-CD1 3.9Å; A63-S157 VanDerWaalsContact O-CB 3.26Å; A63-S157 WeakPolarHBondContact O-CB 3.4Å |
| 64 | A | 94.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 63.4 Ų | 63.4 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L60 L61 L62 C66 A67 L68 | L60-A64 WeakPolarHBondContact O-CB 3.37Å; L60-A64 PolarHBondContact O-N 3.32Å; L61-A64 PolarHBondContact O-N 3.15Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.29Å; A64-C66 VanDerWaalsContact C-N 3.34Å; A64-C66 PolarHBondContact O-N 3.37Å; A64-A67 WeakPolarHBondContact O-CB 3.41Å; A64-A67 PolarHBondContact O-N 3.1Å; A64-L68 PolarHBondContact O-N 3.39Å; A64-L68 VanDerWaalsContact O-N 3.08Å |
| 65 | L | 96.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 63.9 Ų | 63.9 | 52% | 0.524 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.4 | -69.2 | 174.1 | 0 | 0 | 0 | 111.5 | L61 L62 A67 L68 G69 | L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.29Å; L61-L65 HydrophobicContact CG-CD1 4.14Å; L61-L65 HydrophobicContact CG-CG 4.5Å; L61-L65 VanDerWaalsContact O-CG 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.5Å; L61-L65 PolarHBondContact O-N 3.05Å; L62-L65 PolarHBondContact O-N 3.39Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 2.88Å; L65-L68 PolarHBondContact O-N 3.04Å; L65-G69 PolarHBondContact O-N 2.87Å |
| 66 | C | 97.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 173.6 | -72.9 | 0 | 0 | 0 | 0 | 111.8 | L62 A63 A64 L68 G69 W70 S157 | L62-C66 WeakPolarHBondContact O-CB 3.38Å; L62-C66 PolarHBondContact O-N 3.32Å; L62-C66 PolarHBondContact O-SG 3.11Å; A63-C66 PolarHBondContact O-N 3.02Å; A64-C66 VanDerWaalsContact C-N 3.34Å; A64-C66 PolarHBondContact O-N 3.37Å; C66-L68 PolarHBondContact O-N 2.96Å; C66-G69 CarbonylContact O-C 3.49Å; C66-G69 WeakPolarHBondContact O-CA 3.19Å; C66-G69 PolarHBondContact O-N 2.85Å; C66-G69 VanDerWaalsContact O-N 3.13Å; C66-W70 PolarHBondContact O-N 2.87Å; C66-S157 VanDerWaalsContact CB-CB 3.46Å |
| 67 | A | 96.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A63 A64 L65 G69 W70 T71 S157 C160 | A63-A67 WeakPolarHBondContact O-CB 3.36Å; A63-A67 PolarHBondContact O-N 3.34Å; A64-A67 WeakPolarHBondContact O-CB 3.41Å; A64-A67 PolarHBondContact O-N 3.1Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 2.88Å; A67-G69 VanDerWaalsContact C-N 3.35Å; A67-W70 PolarHBondContact O-N 3.4Å; A67-T71 PolarHBondContact O-N 3.37Å; A67-T71 PolarHBondContact O-OG1 3.2Å; A67-S157 WeakPolarHBondContact CA-O 3.46Å; A67-S157 VanDerWaalsContact CB-O 3.3Å; A67-S157 WeakPolarHBondContact CB-O 3.48Å; A67-C160 HydrophobicContact CB-CB 3.74Å |
| 68 | L | 96.7 | Very high | 95.3 | Very high | 120 Ų | 120 | 58.4 Ų | 58.4 | 63% | 0.628 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 171.6 | -64.5 | 177.1 | 0 | 0 | 0 | 111.1 | A64 L65 C66 W70 T71 A72 | A64-L68 PolarHBondContact O-N 3.39Å; A64-L68 VanDerWaalsContact O-N 3.08Å; L65-L68 PolarHBondContact O-N 3.04Å; C66-L68 PolarHBondContact O-N 2.96Å; L68-W70 PolarHBondContact O-N 3.5Å; L68-T71 WeakPolarHBondContact O-CB 3.38Å; L68-T71 PolarHBondContact O-N 2.81Å; L68-T71 VanDerWaalsContact O-N 3.15Å; L68-A72 PolarHBondContact O-N 3.49Å |
| 69 | G | 97.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.9 | -45.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L65 C66 A67 T71 A72 L73 | L65-G69 PolarHBondContact O-N 2.87Å; C66-G69 CarbonylContact O-C 3.49Å; C66-G69 WeakPolarHBondContact O-CA 3.19Å; C66-G69 PolarHBondContact O-N 2.85Å; C66-G69 VanDerWaalsContact O-N 3.13Å; A67-G69 VanDerWaalsContact C-N 3.35Å; G69-T71 VanDerWaalsContact C-N 3.32Å; G69-T71 PolarHBondContact O-N 3.26Å; G69-A72 PolarHBondContact O-N 3.33Å; G69-L73 VanDerWaalsContact O-CB 3.27Å; G69-L73 WeakPolarHBondContact O-CB 3.38Å; G69-L73 PolarHBondContact O-N 3.34Å |
| 70 | W | 97.4 | Very high | 95.8 | Very high | 49 Ų | 49 | 63.8 Ų | 63.8 | 19% | 0.186 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 175.2 | -67 | 129.1 | 0 | 0 | 0 | 112.4 | C66 A67 L68 L73 R74 W104 F108 L154 S157 F158 H161 | C66-W70 PolarHBondContact O-N 2.87Å; A67-W70 PolarHBondContact O-N 3.4Å; L68-W70 PolarHBondContact O-N 3.5Å; W70-L73 HydrophobicContact CE3-CD2 4.13Å; W70-L73 HydrophobicContact CZ3-CD2 3.97Å; W70-L73 PolarHBondContact O-N 3.28Å; W70-R74 VanDerWaalsContact O-CB 3.26Å; W70-R74 WeakPolarHBondContact O-CB 3.5Å; W70-R74 PolarHBondContact O-N 2.84Å; W70-W104 HydrophobicContact CE3-CH2 4.08Å; W70-W104 AromaticContact CE3-CZ2 3.97Å; W70-W104 HydrophobicContact CE3-CZ2 3.97Å; W70-W104 WeakPolarHBondContact O-CZ2 3.43Å; W70-F108 HydrophobicContact CH2-CE2 4.49Å; W70-F108 HydrophobicContact CZ2-CE2 4.2Å; W70-L154 HydrophobicContact CH2-CD2 4.14Å; W70-L154 HydrophobicContact CZ2-CD2 3.66Å; W70-S157 PolarHBondContact NE1-OG 3.28Å; W70-F158 HydrophobicContact CD2-CD2 4.47Å; W70-F158 HydrophobicContact CG-CD2 4.33Å; W70-H161 HydrophobicContact CB-CB 3.92Å |
| 71 | T | 96.3 | Very high | 96 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 177.5 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | A67 L68 G69 S75 H161 Y164 M169 | A67-T71 PolarHBondContact O-N 3.37Å; A67-T71 PolarHBondContact O-OG1 3.2Å; L68-T71 WeakPolarHBondContact O-CB 3.38Å; L68-T71 PolarHBondContact O-N 2.81Å; L68-T71 VanDerWaalsContact O-N 3.15Å; G69-T71 VanDerWaalsContact C-N 3.32Å; G69-T71 PolarHBondContact O-N 3.26Å; T71-S75 PolarHBondContact O-N 3.23Å; T71-S75 VanDerWaalsContact O-N 3.09Å; T71-H161 WeakPolarHBondContact CA-ND1 3.46Å; T71-H161 PolarHBondContact OG1-ND1 3.23Å; T71-Y164 HydrophobicContact CG2-CD1 4.01Å; T71-Y164 HydrophobicContact CG2-CE1 3.69Å; T71-M169 HydrophobicContact CG2-SD 4.25Å |
| 72 | A | 96.9 | Very high | 96.1 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L68 G69 S75 A76 | L68-A72 PolarHBondContact O-N 3.49Å; G69-A72 PolarHBondContact O-N 3.33Å; A72-S75 WeakPolarHBondContact O-CB 3.46Å; A72-S75 PolarHBondContact O-N 3.14Å; A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 3.5Å |
| 73 | L | 96.9 | Very high | 96.1 | Very high | 90 Ų | 90 | 62 Ų | 62 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | -179.6 | -173.8 | 58.4 | 0 | 0 | 0 | 111.5 | G69 W70 S75 A76 A77 W104 | G69-L73 VanDerWaalsContact O-CB 3.27Å; G69-L73 WeakPolarHBondContact O-CB 3.38Å; G69-L73 PolarHBondContact O-N 3.34Å; W70-L73 HydrophobicContact CE3-CD2 4.13Å; W70-L73 HydrophobicContact CZ3-CD2 3.97Å; W70-L73 PolarHBondContact O-N 3.28Å; L73-S75 VanDerWaalsContact C-N 3.35Å; L73-S75 PolarHBondContact O-N 2.78Å; L73-A76 PolarHBondContact O-N 2.82Å; L73-A77 VanDerWaalsContact O-CB 3.28Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.26Å; L73-W104 HydrophobicContact CB-CH2 3.74Å; L73-W104 HydrophobicContact CB-CZ3 4.4Å; L73-W104 HydrophobicContact CD2-CH2 3.73Å; L73-W104 HydrophobicContact CD2-CZ3 4.28Å; L73-W104 HydrophobicContact CG-CH2 3.5Å; L73-W104 VanDerWaalsContact CG-CH2 3.5Å; L73-W104 HydrophobicContact CG-CZ3 3.83Å |
| 74 | R | 96.7 | Very high | 96.1 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 5% | 0.053 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 172.6 | -176.7 | 176.1 | 175.6 | 177.4 | -7.6 | 111.6 | W70 A77 T78 W104 H161 M169 D170 | W70-R74 VanDerWaalsContact O-CB 3.26Å; W70-R74 WeakPolarHBondContact O-CB 3.5Å; W70-R74 PolarHBondContact O-N 2.84Å; R74-A77 PolarHBondContact O-N 3.39Å; R74-T78 VanDerWaalsContact O-CB 3.27Å; R74-T78 WeakPolarHBondContact O-CB 3.29Å; R74-T78 PolarHBondContact O-N 3.05Å; R74-T78 PolarHBondContact O-OG1 3.39Å; R74-W104 HydrophobicContact CB-CD2 3.75Å; R74-W104 VanDerWaalsContact CB-CE2 3.47Å; R74-W104 HydrophobicContact CB-CE3 4.23Å; R74-W104 HydrophobicContact CB-CG 4.19Å; R74-W104 HydrophobicContact CB-CH2 4.27Å; R74-W104 HydrophobicContact CB-CZ2 3.75Å; R74-W104 HydrophobicContact CB-CZ3 4.48Å; R74-W104 VanDerWaalsContact CD-CD1 3.43Å; R74-W104 HydrophobicContact CG-CB 4.33Å; R74-W104 HydrophobicContact CG-CD2 3.73Å; R74-W104 HydrophobicContact CG-CE3 4.42Å; R74-W104 HydrophobicContact CG-CG 3.64Å; R74-H161 WeakPolarHBondContact CD-NE2 3.35Å; R74-M169 HydrophobicContact CG-CE 4.24Å; R74-D170 IonicContact CZ-OD1 2.81Å; R74-D170 VanDerWaalsContact CZ-OD1 3.24Å; R74-D170 IonicContact NH1-OD1 3.67Å; R74-D170 PolarHBondContact NH1-OD1 2.89Å; R74-D170 IonicContact NH2-OD1 2.83Å; R74-D170 PolarHBondContact NH2-OD1 2.88Å |
| 75 | S | 95.1 | Very high | 96 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 179 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | T71 A72 L73 T78 A79 | T71-S75 PolarHBondContact O-N 3.23Å; T71-S75 VanDerWaalsContact O-N 3.09Å; A72-S75 WeakPolarHBondContact O-CB 3.46Å; A72-S75 PolarHBondContact O-N 3.14Å; L73-S75 VanDerWaalsContact C-N 3.35Å; L73-S75 PolarHBondContact O-N 2.78Å; S75-T78 WeakPolarHBondContact O-CB 3.35Å; S75-T78 PolarHBondContact O-N 3.41Å; S75-A79 PolarHBondContact O-N 3.26Å |
| 76 | A | 96.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A72 L73 T78 A79 R80 | A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 3.5Å; L73-A76 PolarHBondContact O-N 2.82Å; A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.49Å; A76-A79 PolarHBondContact O-N 2.73Å; A76-R80 VanDerWaalsContact O-CB 3.29Å; A76-R80 WeakPolarHBondContact O-CB 3.42Å; A76-R80 WeakPolarHBondContact O-CG 3.4Å; A76-R80 PolarHBondContact O-N 2.89Å |
| 77 | A | 96.5 | Very high | 95.6 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L73 R74 L81 F82 W104 | L73-A77 VanDerWaalsContact O-CB 3.28Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.26Å; R74-A77 PolarHBondContact O-N 3.39Å; A77-L81 WeakPolarHBondContact O-CA 3.38Å; A77-L81 WeakPolarHBondContact O-CB 3.31Å; A77-L81 PolarHBondContact O-N 3.38Å; A77-F82 HydrophobicContact CB-CD2 4.24Å; A77-F82 HydrophobicContact CB-CE2 3.67Å; A77-F82 HydrophobicContact CB-CZ 4.04Å; A77-F82 PolarHBondContact O-N 3.2Å; A77-W104 HydrophobicContact CB-CE3 4.13Å; A77-W104 HydrophobicContact CB-CZ3 4.13Å |
| 78 | T | 95.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 76.4 Ų | 76.4 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | I | π-helix | trans | -60.8 | -48.1 | 175.2 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | R74 S75 A76 R83 P100 | R74-T78 VanDerWaalsContact O-CB 3.27Å; R74-T78 WeakPolarHBondContact O-CB 3.29Å; R74-T78 PolarHBondContact O-N 3.05Å; R74-T78 PolarHBondContact O-OG1 3.39Å; S75-T78 WeakPolarHBondContact O-CB 3.35Å; S75-T78 PolarHBondContact O-N 3.41Å; A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.49Å; T78-R83 HydrophobicContact CG2-CG 4.18Å; T78-R83 WeakPolarHBondContact O-CB 3.3Å; T78-R83 VanDerWaalsContact O-CG 3.29Å; T78-R83 WeakPolarHBondContact O-CG 3.5Å; T78-R83 PolarHBondContact O-N 2.92Å; T78-P100 HydrophobicContact CG2-CB 3.73Å; T78-P100 HydrophobicContact CG2-CG 4.11Å |
| 79 | A | 95 | Very high | 95.1 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | I | π-helix | trans | -71.3 | -42.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S75 A76 P84 | S75-A79 PolarHBondContact O-N 3.26Å; A76-A79 PolarHBondContact O-N 2.73Å; A79-P84 WeakPolarHBondContact O-CD 3.38Å |
| 80 | R | 95.9 | Very high | 94.8 | Very high | 215 Ų | 215 | 78.9 Ų | 78.9 | 81% | 0.811 | 39% | 0.385 | S | S | * | . | I | π-helix | trans | -94.7 | -27.6 | -169 | -61.4 | -177.2 | -178 | -173.7 | 0.9 | 114.4 | A76 | A76-R80 VanDerWaalsContact O-CB 3.29Å; A76-R80 WeakPolarHBondContact O-CB 3.42Å; A76-R80 WeakPolarHBondContact O-CG 3.4Å; A76-R80 PolarHBondContact O-N 2.89Å |
| 81 | L | 96.2 | Very high | 94.5 | Very high | 97 Ų | 97 | 77.4 Ų | 77.4 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -117.2 | -59 | -174.2 | -178.7 | 61.7 | 0 | 0 | 0 | 112 | A77 P84 L85 | A77-L81 WeakPolarHBondContact O-CA 3.38Å; A77-L81 WeakPolarHBondContact O-CB 3.31Å; A77-L81 PolarHBondContact O-N 3.38Å; L81-P84 WeakPolarHBondContact O-CD 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 2.8Å |
| 82 | F | 95.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 80.9 Ų | 80.9 | 4% | 0.035 | 40% | 0.395 | C | S | . | . | I | π-helix | trans | -72.4 | -46.4 | -167.7 | -55.7 | -37.1 | 0 | 0 | 0 | 113.5 | A77 L85 A86 L99 P100 A103 W104 L107 | A77-F82 HydrophobicContact CB-CD2 4.24Å; A77-F82 HydrophobicContact CB-CE2 3.67Å; A77-F82 HydrophobicContact CB-CZ 4.04Å; A77-F82 PolarHBondContact O-N 3.2Å; F82-L85 PolarHBondContact O-N 2.92Å; F82-A86 PolarHBondContact O-N 3.37Å; F82-L99 HydrophobicContact CB-CD2 3.95Å; F82-L99 WeakPolarHBondContact O-CD2 3.41Å; F82-P100 HydrophobicContact CB-CB 3.97Å; F82-P100 HydrophobicContact CB-CG 4.01Å; F82-P100 HydrophobicContact CD2-CB 4.06Å; F82-P100 HydrophobicContact CG-CB 4.45Å; F82-A103 HydrophobicContact CD1-CB 3.71Å; F82-A103 HydrophobicContact CD2-CB 4.34Å; F82-A103 HydrophobicContact CE1-CB 3.56Å; F82-A103 HydrophobicContact CE2-CB 4.21Å; F82-A103 HydrophobicContact CG-CB 4.12Å; F82-A103 HydrophobicContact CZ-CB 3.83Å; F82-W104 HydrophobicContact CE2-CB 4.03Å; F82-W104 HydrophobicContact CE2-CE3 4.29Å; F82-L107 HydrophobicContact CE1-CD1 4.12Å; F82-L107 HydrophobicContact CZ-CD1 3.77Å |
| 83 | R | 93.7 | Very high | 93.7 | Very high | 152 Ų | 152 | 83.4 Ų | 83.4 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 177 | -73.1 | 176.9 | 178.7 | -171.6 | 1 | 112.5 | T78 L85 A86 K87 P100 | T78-R83 HydrophobicContact CG2-CG 4.18Å; T78-R83 WeakPolarHBondContact O-CB 3.3Å; T78-R83 VanDerWaalsContact O-CG 3.29Å; T78-R83 WeakPolarHBondContact O-CG 3.5Å; T78-R83 PolarHBondContact O-N 2.92Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 2.67Å; R83-A86 PolarHBondContact O-N 3.36Å; R83-K87 WeakPolarHBondContact O-CG 3.45Å; R83-K87 PolarHBondContact O-N 3.12Å; R83-K87 VanDerWaalsContact O-N 3.09Å; R83-P100 HydrophobicContact CG-CG 4.39Å |
| 84 | P | 94.7 | Very high | 93.2 | Very high | 60 Ų | 60 | 84 Ų | 84 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 173 | -28 | 38.1 | 0 | 0 | 0 | 113.1 | A79 L81 K87 R88 | A79-P84 WeakPolarHBondContact O-CD 3.38Å; L81-P84 WeakPolarHBondContact O-CD 3.3Å; P84-K87 PolarHBondContact O-N 3.48Å; P84-R88 WeakPolarHBondContact O-CB 3.42Å; P84-R88 PolarHBondContact O-N 3.37Å |
| 85 | L | 93.3 | Very high | 92.8 | Very high | 70 Ų | 70 | 84.2 Ų | 84.2 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.3 | -178.8 | 64.6 | 0 | 0 | 0 | 111.6 | L81 F82 R83 K87 R88 C89 F225 | L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 2.8Å; F82-L85 PolarHBondContact O-N 2.92Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 2.67Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.09Å; L85-R88 PolarHBondContact O-N 3.3Å; L85-C89 WeakPolarHBondContact O-CB 3.03Å; L85-C89 PolarHBondContact O-N 3.42Å; L85-C89 PolarHBondContact O-SG 2.84Å; L85-F225 HydrophobicContact CD2-CZ 4.23Å; L85-F225 HydrophobicContact CG-CZ 4.46Å |
| 86 | A | 92.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 82.1 Ų | 82.1 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F82 R83 C89 R90 L91 A96 L99 | F82-A86 PolarHBondContact O-N 3.37Å; R83-A86 PolarHBondContact O-N 3.36Å; A86-C89 CarbonylContact O-C 3.53Å; A86-C89 PolarHBondContact O-N 2.95Å; A86-R90 PolarHBondContact O-N 2.61Å; A86-L91 HydrophobicContact CB-CD1 3.99Å; A86-L91 PolarHBondContact O-N 3.37Å; A86-L91 VanDerWaalsContact O-N 3.16Å; A86-A96 HydrophobicContact CB-CB 4.01Å; A86-L99 HydrophobicContact CB-CD2 4.26Å |
| 87 | K | 92.2 | Very high | 92.3 | Very high | 167 Ų | 167 | 84.2 Ų | 84.2 | 73% | 0.726 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.5 | -46.8 | 177 | -71.3 | -179.5 | -179.4 | -175.2 | 0 | 112.4 | R83 P84 L85 C89 R90 | R83-K87 WeakPolarHBondContact O-CG 3.45Å; R83-K87 PolarHBondContact O-N 3.12Å; R83-K87 VanDerWaalsContact O-N 3.09Å; P84-K87 PolarHBondContact O-N 3.48Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.09Å; K87-C89 PolarHBondContact O-N 3.34Å; K87-R90 PolarHBondContact O-N 2.85Å |
| 88 | R | 91.4 | Very high | 91.9 | Very high | 222 Ų | 222 | 85.7 Ų | 85.7 | 84% | 0.838 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.2 | -37.3 | 177 | -175.9 | 176.2 | 180 | 178.3 | 0.6 | 111.1 | P84 L85 R90 | P84-R88 WeakPolarHBondContact O-CB 3.42Å; P84-R88 PolarHBondContact O-N 3.37Å; L85-R88 PolarHBondContact O-N 3.3Å; R88-R90 VanDerWaalsContact C-N 3.33Å |
| 89 | C | 90.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 84.9 Ų | 84.9 | 9% | 0.088 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.1 | -17.1 | 175.4 | -73.1 | 0 | 0 | 0 | 0 | 113 | L85 A86 K87 L91 F225 R228 | L85-C89 WeakPolarHBondContact O-CB 3.03Å; L85-C89 PolarHBondContact O-N 3.42Å; L85-C89 PolarHBondContact O-SG 2.84Å; A86-C89 CarbonylContact O-C 3.53Å; A86-C89 PolarHBondContact O-N 2.95Å; K87-C89 PolarHBondContact O-N 3.34Å; C89-L91 VanDerWaalsContact C-N 3.3Å; C89-L91 HydrophobicContact CB-CD2 4.18Å; C89-L91 HydrophobicContact CB-CG 3.92Å; C89-L91 PolarHBondContact O-N 2.84Å; C89-F225 HydrophobicContact CB-CE1 4.04Å; C89-R228 HydrophobicContact CB-CG 3.9Å; C89-R228 VanDerWaalsContact O-CD 3.32Å; C89-R228 WeakPolarHBondContact O-CD 3.43Å; C89-R228 WeakPolarHBondContact O-CG 3.12Å; C89-R228 PolarHBondContact SG-NH1 2.79Å; C89-R228 VanDerWaalsContact SG-NH1 3.43Å |
| 90 | R | 91 | Very high | 91.9 | Very high | 198 Ų | 198 | 82.6 Ų | 82.6 | 75% | 0.747 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 48.7 | -172.7 | -53.8 | -179 | -176.9 | -159.1 | 0.2 | 111.4 | A86 K87 R88 G229 | A86-R90 PolarHBondContact O-N 2.61Å; K87-R90 PolarHBondContact O-N 2.85Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R90-G229 PolarHBondContact O-N 3.28Å |
| 91 | L | 91.3 | Very high | 91.7 | Very high | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | trans | -66.5 | 154.6 | 173.1 | -64.2 | -179.6 | 0 | 0 | 0 | 110.7 | A86 C89 A96 L99 Y224 F225 R228 | A86-L91 HydrophobicContact CB-CD1 3.99Å; A86-L91 PolarHBondContact O-N 3.37Å; A86-L91 VanDerWaalsContact O-N 3.16Å; C89-L91 VanDerWaalsContact C-N 3.3Å; C89-L91 HydrophobicContact CB-CD2 4.18Å; C89-L91 HydrophobicContact CB-CG 3.92Å; C89-L91 PolarHBondContact O-N 2.84Å; L91-A96 HydrophobicContact CB-CB 4.17Å; L91-L99 HydrophobicContact CD1-CD1 3.7Å; L91-Y224 WeakPolarHBondContact CD2-O 3.49Å; L91-F225 HydrophobicContact CD1-CD1 4.49Å; L91-F225 HydrophobicContact CD1-CE1 4.03Å; L91-F225 HydrophobicContact CD1-CZ 4.32Å; L91-F225 HydrophobicContact CD2-CD1 3.82Å; L91-F225 HydrophobicContact CD2-CE1 4.08Å; L91-F225 HydrophobicContact CG-CE1 4.43Å; L91-R228 HydrophobicContact CD2-CB 4.1Å; L91-R228 HydrophobicContact CD2-CG 3.99Å | ||
| 92 | Q | 88.4 | Confident | 91.6 | Very high | 103 Ų | 103 | 68.4 Ų | 68.4 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | trans | -60.3 | 148 | 173.1 | -62.8 | -168.9 | 13.8 | 0 | 0 | 110.5 | R94 D95 A96 | Q92-R94 VanDerWaalsContact C-N 3.26Å; Q92-R94 PolarHBondContact O-N 2.91Å; Q92-D95 PolarHBondContact O-N 3.02Å; Q92-D95 VanDerWaalsContact O-N 3.1Å; Q92-A96 WeakPolarHBondContact O-CB 3.19Å; Q92-A96 PolarHBondContact O-N 3.26Å | ||
| 93 | P | 87.7 | Confident | 91.7 | Very high | 116 Ų | 116 | 68.5 Ų | 68.5 | 75% | 0.753 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -54.9 | -38.5 | -177.2 | -27.7 | 35.2 | 0 | 0 | 0 | 114.1 | A97 | P93-A97 PolarHBondContact O-N 3.43Å |
| 94 | R | 86.8 | Confident | 91.8 | Very high | 102 Ų | 102 | 62 Ų | 62 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 176.2 | -178.1 | -177.8 | 177 | -172.6 | 1 | 111.5 | Q92 A97 R98 E318 E322 | Q92-R94 VanDerWaalsContact C-N 3.26Å; Q92-R94 PolarHBondContact O-N 2.91Å; R94-A97 PolarHBondContact O-N 3.44Å; R94-R98 VanDerWaalsContact NE-NH1 3.16Å; R94-E318 IonicContact CZ-OE1 2.76Å; R94-E318 IonicContact NH1-OE1 2.8Å; R94-E318 PolarHBondContact NH1-OE1 2.6Å; R94-E318 IonicContact NH2-OE1 3.7Å; R94-E318 PolarHBondContact NH2-OE1 3.39Å; R94-E322 IonicContact CZ-OE2 2.92Å; R94-E322 IonicContact NH2-OE2 3.24Å; R94-E322 PolarHBondContact NH2-OE2 3.5Å |
| 95 | D | 89.3 | Confident | 91.9 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72 | -38.4 | -178 | -63.9 | -31.1 | 0 | 0 | 0 | 112 | Q92 A97 R98 L99 Y224 | Q92-D95 PolarHBondContact O-N 3.02Å; Q92-D95 VanDerWaalsContact O-N 3.1Å; D95-A97 PolarHBondContact O-N 3.45Å; D95-R98 PolarHBondContact O-N 3.22Å; D95-R98 VanDerWaalsContact O-N 3.11Å; D95-L99 WeakPolarHBondContact O-CB 3.21Å; D95-L99 PolarHBondContact O-N 3.36Å; D95-Y224 HydrophobicContact CB-CD1 4Å; D95-Y224 HydrophobicContact CB-CG 4.07Å; D95-Y224 WeakPolarHBondContact OD1-CD1 3.5Å |
| 96 | A | 89.9 | Confident | 92.1 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -32.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A86 L91 Q92 P100 | A86-A96 HydrophobicContact CB-CB 4.01Å; L91-A96 HydrophobicContact CB-CB 4.17Å; Q92-A96 WeakPolarHBondContact O-CB 3.19Å; Q92-A96 PolarHBondContact O-N 3.26Å; A96-P100 WeakPolarHBondContact O-CD 3.4Å |
| 97 | A | 89.9 | Confident | 92.3 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 66% | 0.661 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.6 | -31.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P93 R94 D95 | P93-A97 PolarHBondContact O-N 3.43Å; R94-A97 PolarHBondContact O-N 3.44Å; D95-A97 PolarHBondContact O-N 3.45Å |
| 98 | R | 90.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -90.8 | -28 | -175.7 | -65.5 | 171.8 | 179.3 | -171 | -8.8 | 113.3 | R94 D95 P100 E101 S102 Y224 E322 | R94-R98 VanDerWaalsContact NE-NH1 3.16Å; D95-R98 PolarHBondContact O-N 3.22Å; D95-R98 VanDerWaalsContact O-N 3.11Å; R98-P100 VanDerWaalsContact C-CD 3.48Å; R98-E101 PolarHBondContact O-N 3.38Å; R98-E101 VanDerWaalsContact O-N 3.12Å; R98-S102 PolarHBondContact O-N 3.43Å; R98-Y224 HydrophobicContact CB-CE2 4.14Å; R98-E322 IonicContact CZ-OE1 3.37Å; R98-E322 IonicContact CZ-OE2 2.78Å; R98-E322 VanDerWaalsContact NH1-CD 3.29Å; R98-E322 IonicContact NH1-OE1 3.15Å; R98-E322 PolarHBondContact NH1-OE1 3.01Å; R98-E322 IonicContact NH1-OE2 3.35Å; R98-E322 PolarHBondContact NH1-OE2 3.18Å; R98-E322 VanDerWaalsContact NH1-OE2 3.12Å; R98-E322 IonicContact NH2-OE1 2.73Å; R98-E322 PolarHBondContact NH2-OE1 3.39Å; R98-E322 IonicContact NH2-OE2 3.02Å; R98-E322 PolarHBondContact NH2-OE2 2.81Å |
| 99 | L | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51.2 | -44.3 | -178.4 | 177.8 | 127 | 0 | 0 | 0 | 113.9 | F82 A86 L91 D95 E101 S102 A103 L221 Y224 F225 | F82-L99 HydrophobicContact CB-CD2 3.95Å; F82-L99 WeakPolarHBondContact O-CD2 3.41Å; A86-L99 HydrophobicContact CB-CD2 4.26Å; L91-L99 HydrophobicContact CD1-CD1 3.7Å; D95-L99 WeakPolarHBondContact O-CB 3.21Å; D95-L99 PolarHBondContact O-N 3.36Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 2.95Å; L99-S102 PolarHBondContact O-N 3.05Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.29Å; L99-L221 HydrophobicContact CD1-CD2 3.91Å; L99-L221 HydrophobicContact CG-CD2 4.02Å; L99-Y224 HydrophobicContact CB-CD2 4.23Å; L99-F225 HydrophobicContact CD1-CD2 4.48Å; L99-F225 HydrophobicContact CD1-CE1 4.39Å; L99-F225 HydrophobicContact CD1-CE2 3.5Å; L99-F225 HydrophobicContact CD1-CZ 3.44Å; L99-F225 VanDerWaalsContact CD1-CZ 3.44Å |
| 100 | P | 94.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.071 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -35.8 | 179.9 | -24.3 | 35.1 | 0 | 0 | 0 | 114.5 | T78 F82 R83 A96 R98 W104 | T78-P100 HydrophobicContact CG2-CB 3.73Å; T78-P100 HydrophobicContact CG2-CG 4.11Å; F82-P100 HydrophobicContact CB-CB 3.97Å; F82-P100 HydrophobicContact CB-CG 4.01Å; F82-P100 HydrophobicContact CD2-CB 4.06Å; F82-P100 HydrophobicContact CG-CB 4.45Å; R83-P100 HydrophobicContact CG-CG 4.39Å; A96-P100 WeakPolarHBondContact O-CD 3.4Å; R98-P100 VanDerWaalsContact C-CD 3.48Å; P100-W104 VanDerWaalsContact O-CB 3.23Å; P100-W104 WeakPolarHBondContact O-CB 3.09Å; P100-W104 PolarHBondContact O-N 3Å |
| 101 | E | 92.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -53.6 | 176 | -176.6 | -167.1 | 147.2 | 0 | 0 | 109.9 | R98 L99 W104 K105 R173 | R98-E101 PolarHBondContact O-N 3.38Å; R98-E101 VanDerWaalsContact O-N 3.12Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 2.95Å; E101-W104 PolarHBondContact O-N 3.4Å; E101-K105 HydrophobicContact CG-CD 4.21Å; E101-K105 WeakPolarHBondContact O-CG 3.43Å; E101-K105 PolarHBondContact O-N 3.45Å; E101-K105 VanDerWaalsContact O-N 3.08Å; E101-K105 IonicContact OE1-NZ 3.72Å; E101-K105 PolarHBondContact OE1-NZ 2.93Å; E101-R173 IonicContact OE1-CZ 2.73Å; E101-R173 IonicContact OE1-NH1 3.12Å; E101-R173 PolarHBondContact OE1-NH1 2.93Å; E101-R173 VanDerWaalsContact OE1-NH1 3.16Å; E101-R173 IonicContact OE1-NH2 3.25Å; E101-R173 PolarHBondContact OE1-NH2 3.37Å; E101-R173 IonicContact OE2-NH2 2.67Å; E101-R173 PolarHBondContact OE2-NH2 3.43Å |
| 102 | S | 94.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | -177.4 | -74.7 | 0 | 0 | 0 | 0 | 113.6 | R98 L99 W104 K105 L106 E217 | R98-S102 PolarHBondContact O-N 3.43Å; L99-S102 PolarHBondContact O-N 3.05Å; S102-W104 PolarHBondContact O-N 3.36Å; S102-K105 PolarHBondContact O-N 3.37Å; S102-L106 WeakPolarHBondContact O-CB 3.44Å; S102-L106 PolarHBondContact O-N 3.03Å; S102-E217 WeakPolarHBondContact CA-OE2 3.46Å; S102-E217 WeakPolarHBondContact CB-OE2 3.5Å; S102-E217 PolarHBondContact OG-OE2 2.89Å |
| 103 | A | 96.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F82 L99 L107 L221 | F82-A103 HydrophobicContact CD1-CB 3.71Å; F82-A103 HydrophobicContact CD2-CB 4.34Å; F82-A103 HydrophobicContact CE1-CB 3.56Å; F82-A103 HydrophobicContact CE2-CB 4.21Å; F82-A103 HydrophobicContact CG-CB 4.12Å; F82-A103 HydrophobicContact CZ-CB 3.83Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.29Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.11Å; A103-L221 HydrophobicContact CB-CD1 4.36Å; A103-L221 HydrophobicContact CB-CD2 4.17Å |
| 104 | W | 96.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 176.2 | 179.6 | -108.5 | 0 | 0 | 0 | 112.1 | W70 L73 R74 A77 F82 P100 E101 S102 L106 L107 F108 F158 H161 | W70-W104 HydrophobicContact CE3-CH2 4.08Å; W70-W104 AromaticContact CE3-CZ2 3.97Å; W70-W104 HydrophobicContact CE3-CZ2 3.97Å; W70-W104 WeakPolarHBondContact O-CZ2 3.43Å; L73-W104 HydrophobicContact CB-CH2 3.74Å; L73-W104 HydrophobicContact CB-CZ3 4.4Å; L73-W104 HydrophobicContact CD2-CH2 3.73Å; L73-W104 HydrophobicContact CD2-CZ3 4.28Å; L73-W104 HydrophobicContact CG-CH2 3.5Å; L73-W104 VanDerWaalsContact CG-CH2 3.5Å; L73-W104 HydrophobicContact CG-CZ3 3.83Å; R74-W104 HydrophobicContact CB-CD2 3.75Å; R74-W104 VanDerWaalsContact CB-CE2 3.47Å; R74-W104 HydrophobicContact CB-CE3 4.23Å; R74-W104 HydrophobicContact CB-CG 4.19Å; R74-W104 HydrophobicContact CB-CH2 4.27Å; R74-W104 HydrophobicContact CB-CZ2 3.75Å; R74-W104 HydrophobicContact CB-CZ3 4.48Å; R74-W104 VanDerWaalsContact CD-CD1 3.43Å; R74-W104 HydrophobicContact CG-CB 4.33Å; R74-W104 HydrophobicContact CG-CD2 3.73Å; R74-W104 HydrophobicContact CG-CE3 4.42Å; R74-W104 HydrophobicContact CG-CG 3.64Å; A77-W104 HydrophobicContact CB-CE3 4.13Å; A77-W104 HydrophobicContact CB-CZ3 4.13Å; F82-W104 HydrophobicContact CE2-CB 4.03Å; F82-W104 HydrophobicContact CE2-CE3 4.29Å; P100-W104 VanDerWaalsContact O-CB 3.23Å; P100-W104 WeakPolarHBondContact O-CB 3.09Å; P100-W104 PolarHBondContact O-N 3Å; E101-W104 PolarHBondContact O-N 3.4Å; S102-W104 PolarHBondContact O-N 3.36Å; W104-L106 PolarHBondContact O-N 3.09Å; W104-L107 PolarHBondContact O-N 2.97Å; W104-F108 PolarHBondContact O-N 3.04Å; W104-F108 VanDerWaalsContact O-N 3.14Å; W104-F158 AromaticContact NE1-CE2 3.53Å; W104-H161 AromaticContact NE1-NE2 3.61Å |
| 105 | K | 95.8 | Very high | 95.2 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 177.8 | -72 | 176.1 | -178.8 | 172.9 | 0 | 111.2 | E101 S102 L107 F108 Y109 D170 E217 | E101-K105 HydrophobicContact CG-CD 4.21Å; E101-K105 WeakPolarHBondContact O-CG 3.43Å; E101-K105 PolarHBondContact O-N 3.45Å; E101-K105 VanDerWaalsContact O-N 3.08Å; E101-K105 IonicContact OE1-NZ 3.72Å; E101-K105 PolarHBondContact OE1-NZ 2.93Å; S102-K105 PolarHBondContact O-N 3.37Å; K105-L107 PolarHBondContact O-N 3.49Å; K105-F108 PolarHBondContact O-N 3.05Å; K105-Y109 HydrophobicContact CB-CD2 4.1Å; K105-Y109 HydrophobicContact CB-CE2 3.92Å; K105-Y109 HydrophobicContact CG-CE2 4.35Å; K105-Y109 WeakPolarHBondContact O-CB 3.38Å; K105-Y109 WeakPolarHBondContact O-CD2 3.35Å; K105-Y109 PolarHBondContact O-N 3.17Å; K105-D170 WeakPolarHBondContact CE-OD2 3.35Å; K105-D170 IonicContact NZ-OD2 2.79Å; K105-D170 PolarHBondContact NZ-OD2 3.08Å; K105-E217 HydrophobicContact CB-CG 3.82Å |
| 106 | L | 97.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 176.7 | 178.2 | 62.2 | 0 | 0 | 0 | 112.2 | S102 W104 F108 L110 V214 E217 F218 L221 | S102-L106 WeakPolarHBondContact O-CB 3.44Å; S102-L106 PolarHBondContact O-N 3.03Å; W104-L106 PolarHBondContact O-N 3.09Å; L106-F108 VanDerWaalsContact C-N 3.3Å; L106-F108 PolarHBondContact O-N 2.74Å; L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 PolarHBondContact O-N 3.28Å; L106-V214 HydrophobicContact CD1-CG1 3.91Å; L106-V214 WeakPolarHBondContact CD1-O 3.31Å; L106-E217 HydrophobicContact CB-CB 3.87Å; L106-E217 HydrophobicContact CD1-CB 4.47Å; L106-F218 HydrophobicContact CD1-CB 3.97Å; L106-F218 HydrophobicContact CD2-CB 4.32Å; L106-F218 HydrophobicContact CD2-CD2 4.21Å; L106-L221 HydrophobicContact CB-CD1 4.4Å; L106-L221 HydrophobicContact CD2-CD1 3.44Å; L106-L221 VanDerWaalsContact CD2-CD1 3.44Å |
| 107 | L | 96.9 | Very high | 95.9 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.4 | -43.2 | -178.9 | -72.3 | 178.4 | 0 | 0 | 0 | 111.5 | F82 A103 W104 K105 G111 | F82-L107 HydrophobicContact CE1-CD1 4.12Å; F82-L107 HydrophobicContact CZ-CD1 3.77Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.11Å; W104-L107 PolarHBondContact O-N 2.97Å; K105-L107 PolarHBondContact O-N 3.49Å; L107-G111 PolarHBondContact O-N 3.16Å; L107-G111 VanDerWaalsContact O-N 3.16Å |
| 108 | F | 97.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -55.3 | 179.1 | 177.9 | -93.7 | 0 | 0 | 0 | 112 | W70 W104 K105 L106 L110 G111 C112 F158 | W70-F108 HydrophobicContact CH2-CE2 4.49Å; W70-F108 HydrophobicContact CZ2-CE2 4.2Å; W104-F108 PolarHBondContact O-N 3.04Å; W104-F108 VanDerWaalsContact O-N 3.14Å; K105-F108 PolarHBondContact O-N 3.05Å; L106-F108 VanDerWaalsContact C-N 3.3Å; L106-F108 PolarHBondContact O-N 2.74Å; F108-L110 VanDerWaalsContact C-N 3.3Å; F108-L110 PolarHBondContact O-N 3.49Å; F108-G111 PolarHBondContact O-N 2.96Å; F108-C112 HydrophobicContact CE1-CB 4.37Å; F108-C112 WeakPolarHBondContact CE2-SG 3.47Å; F108-C112 HydrophobicContact CZ-CB 4.4Å; F108-C112 WeakPolarHBondContact CZ-SG 3.47Å; F108-C112 PolarHBondContact O-N 3.48Å; F108-F158 HydrophobicContact CB-CD2 4.25Å; F108-F158 HydrophobicContact CB-CE2 3.66Å; F108-F158 HydrophobicContact CB-CZ 3.83Å; F108-F158 HydrophobicContact CD1-CB 4.42Å; F108-F158 AromaticContact CD1-CD1 3.4Å; F108-F158 HydrophobicContact CD1-CD1 3.4Å; F108-F158 AromaticContact CD1-CD2 3.76Å; F108-F158 HydrophobicContact CD1-CD2 3.76Å; F108-F158 AromaticContact CD1-CE1 3.35Å; F108-F158 HydrophobicContact CD1-CE1 3.35Å; F108-F158 AromaticContact CD1-CE2 3.7Å; F108-F158 HydrophobicContact CD1-CE2 3.7Å; F108-F158 AromaticContact CD1-CG 3.6Å; F108-F158 HydrophobicContact CD1-CG 3.6Å; F108-F158 AromaticContact CD1-CZ 3.5Å; F108-F158 HydrophobicContact CD1-CZ 3.5Å; F108-F158 HydrophobicContact CD2-CB 4.15Å; F108-F158 HydrophobicContact CD2-CD1 4.36Å; F108-F158 AromaticContact CD2-CD2 3.27Å; F108-F158 HydrophobicContact CD2-CD2 3.27Å; F108-F158 AromaticContact CD2-CE2 3.6Å; F108-F158 HydrophobicContact CD2-CE2 3.6Å; F108-F158 AromaticContact CD2-CG 3.69Å; F108-F158 HydrophobicContact CD2-CG 3.69Å; F108-F158 HydrophobicContact CD2-CZ 4.29Å; F108-F158 HydrophobicContact CE1-CB 3.71Å; F108-F158 AromaticContact CE1-CD1 3.17Å; F108-F158 HydrophobicContact CE1-CD1 3.17Å; F108-F158 AromaticContact CE1-CD2 3.92Å; F108-F158 HydrophobicContact CE1-CD2 3.92Å; F108-F158 AromaticContact CE1-CE1 3.65Å; F108-F158 HydrophobicContact CE1-CE1 3.65Å; F108-F158 HydrophobicContact CE1-CE2 4.3Å; F108-F158 AromaticContact CE1-CG 3.31Å; F108-F158 HydrophobicContact CE1-CG 3.31Å; F108-F158 HydrophobicContact CE1-CZ 4.19Å; F108-F158 HydrophobicContact CE2-CB 3.35Å; F108-F158 HydrophobicContact CE2-CD1 4.17Å; F108-F158 AromaticContact CE2-CD2 3.43Å; F108-F158 HydrophobicContact CE2-CD2 3.43Å; F108-F158 VanDerWaalsContact CE2-CD2 3.43Å; F108-F158 HydrophobicContact CE2-CE2 4.21Å; F108-F158 AromaticContact CE2-CG 3.39Å; F108-F158 HydrophobicContact CE2-CG 3.39Å; F108-F158 HydrophobicContact CG-CD1 4.01Å; F108-F158 AromaticContact CG-CD2 3.45Å; F108-F158 HydrophobicContact CG-CD2 3.45Å; F108-F158 VanDerWaalsContact CG-CD2 3.45Å; F108-F158 AromaticContact CG-CE1 3.92Å; F108-F158 HydrophobicContact CG-CE1 3.92Å; F108-F158 AromaticContact CG-CE2 3.32Å; F108-F158 HydrophobicContact CG-CE2 3.32Å; F108-F158 AromaticContact CG-CG 3.78Å; F108-F158 HydrophobicContact CG-CG 3.78Å; F108-F158 AromaticContact CG-CZ 3.57Å; F108-F158 HydrophobicContact CG-CZ 3.57Å; F108-F158 HydrophobicContact CZ-CB 3.1Å; F108-F158 AromaticContact CZ-CD1 3.6Å; F108-F158 HydrophobicContact CZ-CD1 3.6Å; F108-F158 AromaticContact CZ-CD2 3.76Å; F108-F158 HydrophobicContact CZ-CD2 3.76Å; F108-F158 HydrophobicContact CZ-CE1 4.41Å; F108-F158 AromaticContact CZ-CG 3.2Å; F108-F158 HydrophobicContact CZ-CG 3.2Å |
| 109 | Y | 97.2 | Very high | 96.4 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | -177.3 | -67.6 | -51.6 | 0 | 0 | 0 | 111.7 | K105 G111 W113 F158 D213 V214 | K105-Y109 HydrophobicContact CB-CD2 4.1Å; K105-Y109 HydrophobicContact CB-CE2 3.92Å; K105-Y109 HydrophobicContact CG-CE2 4.35Å; K105-Y109 WeakPolarHBondContact O-CB 3.38Å; K105-Y109 WeakPolarHBondContact O-CD2 3.35Å; K105-Y109 PolarHBondContact O-N 3.17Å; Y109-G111 PolarHBondContact O-N 3.14Å; Y109-W113 WeakPolarHBondContact O-CB 3.47Å; Y109-W113 PolarHBondContact O-N 3.48Å; Y109-F158 HydrophobicContact CE1-CE1 4.25Å; Y109-D213 HydrophobicContact CD1-CB 4.39Å; Y109-D213 HydrophobicContact CD2-CB 3.64Å; Y109-D213 HydrophobicContact CE2-CB 3.8Å; Y109-D213 HydrophobicContact CG-CB 3.97Å; Y109-V214 VanDerWaalsContact C-CG2 3.45Å |
| 110 | L | 97.8 | Very high | 96.4 | Very high | 76 Ų | 76 | 33.6 Ų | 33.6 | 40% | 0.398 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.4 | -44 | 177 | -179.8 | 63.1 | 0 | 0 | 0 | 110.9 | L106 F108 S114 V214 | L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 PolarHBondContact O-N 3.28Å; F108-L110 VanDerWaalsContact C-N 3.3Å; F108-L110 PolarHBondContact O-N 3.49Å; L110-S114 WeakPolarHBondContact O-CB 3.46Å; L110-S114 PolarHBondContact O-N 2.93Å; L110-S114 PolarHBondContact O-OG 2.81Å; L110-V214 HydrophobicContact CB-CG1 4.38Å; L110-V214 HydrophobicContact CB-CG2 4.35Å; L110-V214 HydrophobicContact CD1-CG1 3.94Å |
| 111 | G | 97.7 | Very high | 96.4 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 44% | 0.443 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.5 | -51.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L107 F108 Y109 S114 Y115 | L107-G111 PolarHBondContact O-N 3.16Å; L107-G111 VanDerWaalsContact O-N 3.16Å; F108-G111 PolarHBondContact O-N 2.96Å; Y109-G111 PolarHBondContact O-N 3.14Å; G111-S114 PolarHBondContact O-N 2.9Å; G111-Y115 WeakPolarHBondContact O-CB 3.35Å; G111-Y115 PolarHBondContact O-N 3.19Å |
| 112 | C | 96.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | -178.5 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | F108 Y115 C116 | F108-C112 HydrophobicContact CE1-CB 4.37Å; F108-C112 WeakPolarHBondContact CE2-SG 3.47Å; F108-C112 HydrophobicContact CZ-CB 4.4Å; F108-C112 WeakPolarHBondContact CZ-SG 3.47Å; F108-C112 PolarHBondContact O-N 3.48Å; C112-Y115 PolarHBondContact O-N 3.17Å; C112-C116 PolarHBondContact O-N 3.47Å; C112-C116 PolarHBondContact O-SG 3.32Å |
| 113 | W | 97.6 | Very high | 96 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 24% | 0.242 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 176.1 | -178 | 77.4 | 0 | 0 | 0 | 111.5 | Y109 Y115 C116 A117 F207 D210 V211 V214 | Y109-W113 WeakPolarHBondContact O-CB 3.47Å; Y109-W113 PolarHBondContact O-N 3.48Å; W113-Y115 VanDerWaalsContact C-N 3.28Å; W113-Y115 PolarHBondContact O-N 3.24Å; W113-C116 PolarHBondContact O-N 3.31Å; W113-A117 HydrophobicContact CH2-CB 4.46Å; W113-A117 HydrophobicContact CZ2-CB 4.41Å; W113-A117 VanDerWaalsContact O-CB 3.27Å; W113-A117 WeakPolarHBondContact O-CB 3.3Å; W113-A117 PolarHBondContact O-N 3.32Å; W113-F207 VanDerWaalsContact CD1-O 3.32Å; W113-F207 AromaticContact CE2-CE2 3.72Å; W113-F207 AromaticContact CZ2-CE2 3.71Å; W113-F207 HydrophobicContact CZ2-CE2 3.71Å; W113-F207 HydrophobicContact CZ2-CZ 4.22Å; W113-F207 AromaticContact NE1-CD2 3.39Å; W113-F207 AromaticContact NE1-CE2 3.44Å; W113-F207 PolarHBondContact NE1-O 3.48Å; W113-F207 VanDerWaalsContact NE1-O 3.16Å; W113-D210 HydrophobicContact CB-CB 3.99Å; W113-D210 HydrophobicContact CG-CB 4.43Å; W113-V211 HydrophobicContact CD2-CB 4.45Å; W113-V211 HydrophobicContact CG-CB 4.42Å; W113-V211 HydrophobicContact CZ2-CB 4.34Å; W113-V211 HydrophobicContact CZ2-CG2 3.97Å; W113-V214 HydrophobicContact CB-CG2 4.31Å |
| 114 | S | 97.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 177 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | L110 G111 A117 Y118 | L110-S114 WeakPolarHBondContact O-CB 3.46Å; L110-S114 PolarHBondContact O-N 2.93Å; L110-S114 PolarHBondContact O-OG 2.81Å; G111-S114 PolarHBondContact O-N 2.9Å; S114-A117 PolarHBondContact O-N 2.95Å; S114-Y118 WeakPolarHBondContact O-CB 3.22Å; S114-Y118 PolarHBondContact O-N 3.47Å |
| 115 | Y | 97.5 | Very high | 95.2 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 175.2 | -174.6 | -121.8 | 0 | 0 | 0 | 111.9 | G111 C112 W113 A117 Y118 L119 D147 A150 A151 | G111-Y115 WeakPolarHBondContact O-CB 3.35Å; G111-Y115 PolarHBondContact O-N 3.19Å; C112-Y115 PolarHBondContact O-N 3.17Å; W113-Y115 VanDerWaalsContact C-N 3.28Å; W113-Y115 PolarHBondContact O-N 3.24Å; Y115-A117 VanDerWaalsContact C-N 3.34Å; Y115-A117 PolarHBondContact O-N 3.22Å; Y115-Y118 WeakPolarHBondContact O-CB 3.49Å; Y115-Y118 PolarHBondContact O-N 3.43Å; Y115-L119 HydrophobicContact CD1-CD1 4.34Å; Y115-L119 HydrophobicContact CE1-CD1 3.9Å; Y115-L119 HydrophobicContact CE2-CD2 4.45Å; Y115-L119 HydrophobicContact CE2-CG 4.5Å; Y115-L119 WeakPolarHBondContact O-CG 3.48Å; Y115-L119 PolarHBondContact O-N 3.48Å; Y115-D147 WeakPolarHBondContact CE1-O 3.44Å; Y115-D147 VanDerWaalsContact OH-CA 3.31Å; Y115-D147 WeakPolarHBondContact OH-CA 3.22Å; Y115-D147 PolarHBondContact OH-O 3.04Å; Y115-A150 HydrophobicContact CE1-CB 4.39Å; Y115-A151 HydrophobicContact CD1-CB 3.97Å; Y115-A151 HydrophobicContact CE1-CB 3.8Å |
| 116 | C | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.8 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | C112 W113 L119 L120 L203 F207 | C112-C116 PolarHBondContact O-N 3.47Å; C112-C116 PolarHBondContact O-SG 3.32Å; W113-C116 PolarHBondContact O-N 3.31Å; C116-L119 PolarHBondContact O-N 3.42Å; C116-L120 WeakPolarHBondContact O-CB 3.24Å; C116-L120 WeakPolarHBondContact O-CG 3.42Å; C116-L120 PolarHBondContact O-N 2.78Å; C116-L203 HydrophobicContact CB-CD1 4.15Å; C116-F207 HydrophobicContact CB-CB 4.22Å |
| 117 | A | 96.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W113 S114 Y115 L120 L121 F207 | W113-A117 HydrophobicContact CH2-CB 4.46Å; W113-A117 HydrophobicContact CZ2-CB 4.41Å; W113-A117 VanDerWaalsContact O-CB 3.27Å; W113-A117 WeakPolarHBondContact O-CB 3.3Å; W113-A117 PolarHBondContact O-N 3.32Å; S114-A117 PolarHBondContact O-N 2.95Å; Y115-A117 VanDerWaalsContact C-N 3.34Å; Y115-A117 PolarHBondContact O-N 3.22Å; A117-L120 PolarHBondContact O-N 3.08Å; A117-L121 VanDerWaalsContact O-CB 3.29Å; A117-L121 WeakPolarHBondContact O-CB 3.32Å; A117-L121 PolarHBondContact O-N 3.41Å; A117-F207 HydrophobicContact CB-CD2 4.05Å; A117-F207 HydrophobicContact CB-CE2 3.67Å |
| 118 | Y | 96.6 | Very high | 94.1 | Very high | 143 Ų | 143 | 51.7 Ų | 51.7 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -59.8 | -46 | 173.5 | 167.8 | -103.3 | 0 | 0 | 0 | 111.7 | S114 Y115 G122 T123 | S114-Y118 WeakPolarHBondContact O-CB 3.22Å; S114-Y118 PolarHBondContact O-N 3.47Å; Y115-Y118 WeakPolarHBondContact O-CB 3.49Å; Y115-Y118 PolarHBondContact O-N 3.43Å; Y118-G122 CarbonylContact O-C 3.59Å; Y118-G122 WeakPolarHBondContact O-CA 3.45Å; Y118-G122 PolarHBondContact O-N 2.88Å; Y118-T123 HydrophobicContact CE1-CG2 4.05Å; Y118-T123 PolarHBondContact O-N 3.42Å |
| 119 | L | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -62 | -47.2 | 177.1 | -65 | -179.5 | 0 | 0 | 0 | 111.6 | Y115 C116 T123 Y125 D147 L203 | Y115-L119 HydrophobicContact CD1-CD1 4.34Å; Y115-L119 HydrophobicContact CE1-CD1 3.9Å; Y115-L119 HydrophobicContact CE2-CD2 4.45Å; Y115-L119 HydrophobicContact CE2-CG 4.5Å; Y115-L119 WeakPolarHBondContact O-CG 3.48Å; Y115-L119 PolarHBondContact O-N 3.48Å; C116-L119 PolarHBondContact O-N 3.42Å; L119-T123 HydrophobicContact CD2-CG2 4.32Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 PolarHBondContact O-OG1 2.88Å; L119-Y125 HydrophobicContact CB-CD2 4.5Å; L119-D147 HydrophobicContact CD2-CB 3.9Å; L119-L203 HydrophobicContact CB-CD2 4.01Å; L119-L203 HydrophobicContact CD1-CD1 4.13Å; L119-L203 HydrophobicContact CD1-CD2 4.17Å |
| 120 | L | 93.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -75.5 | -35.7 | -174.7 | -68.2 | 176.6 | 0 | 0 | 0 | 114.7 | C116 A117 F127 F128 L203 L204 F207 | C116-L120 WeakPolarHBondContact O-CB 3.24Å; C116-L120 WeakPolarHBondContact O-CG 3.42Å; C116-L120 PolarHBondContact O-N 2.78Å; A117-L120 PolarHBondContact O-N 3.08Å; L120-F127 HydrophobicContact CD2-CD2 3.71Å; L120-F127 HydrophobicContact CD2-CE2 3.17Å; L120-F127 HydrophobicContact CD2-CZ 4.01Å; L120-F128 HydrophobicContact CB-CB 4.28Å; L120-F128 HydrophobicContact CD1-CD2 4.27Å; L120-F128 HydrophobicContact CD2-CB 4.34Å; L120-L203 HydrophobicContact CD2-CD2 3.86Å; L120-L203 HydrophobicContact CD2-CG 4.14Å; L120-L203 HydrophobicContact CG-CD2 4.26Å; L120-L203 HydrophobicContact CG-CG 4.35Å; L120-L204 HydrophobicContact CD1-CD2 4.22Å; L120-L204 HydrophobicContact CD2-CD2 4Å; L120-F207 HydrophobicContact CD1-CB 3.31Å; L120-F207 HydrophobicContact CD1-CD1 3.8Å; L120-F207 HydrophobicContact CD1-CD2 3.92Å; L120-F207 HydrophobicContact CD1-CG 3.39Å |
| 121 | L | 93.4 | Very high | 92.8 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -111 | -24.4 | -171 | -53.4 | 178.2 | 0 | 0 | 0 | 112.9 | A117 F128 F207 | A117-L121 VanDerWaalsContact O-CB 3.29Å; A117-L121 WeakPolarHBondContact O-CB 3.32Å; A117-L121 PolarHBondContact O-N 3.41Å; L121-F128 HydrophobicContact CD2-CD1 3.59Å; L121-F128 HydrophobicContact CD2-CE1 3.77Å; L121-F128 HydrophobicContact CD2-CG 4.16Å; L121-F128 HydrophobicContact CD2-CZ 4.48Å; L121-F207 HydrophobicContact CD1-CZ 4.35Å |
| 122 | G | 89.1 | Confident | 92.4 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 54% | 0.536 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -100.2 | -12.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y118 | Y118-G122 CarbonylContact O-C 3.59Å; Y118-G122 WeakPolarHBondContact O-CA 3.45Å; Y118-G122 PolarHBondContact O-N 2.88Å |
| 123 | T | 91.4 | Very high | 92.1 | Very high | 45 Ų | 45 | 53 Ų | 53 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -115.1 | -176.2 | 176.7 | 83.8 | 0 | 0 | 0 | 0 | 111.6 | Y118 L119 Y125 | Y118-T123 HydrophobicContact CE1-CG2 4.05Å; Y118-T123 PolarHBondContact O-N 3.42Å; L119-T123 HydrophobicContact CD2-CG2 4.32Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 PolarHBondContact O-OG1 2.88Å; T123-Y125 VanDerWaalsContact C-N 3.3Å; T123-Y125 PolarHBondContact O-N 3.19Å; T123-Y125 WeakPolarHBondContact OG1-CD2 3.5Å |
| 124 | R | 86.6 | Confident | 91.7 | Very high | 247 Ų | 247 | 50.2 Ų | 50.2 | 93% | 0.932 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -88.6 | 14.3 | -173.7 | -62.2 | -175.8 | 179.8 | -176.6 | -0.2 | 114.1 | P126 | R124-P126 WeakPolarHBondContact O-CD 3.48Š|
| 125 | Y | 90.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | trans | -69.1 | 120.1 | 177.7 | -73 | -52.7 | 0 | 0 | 0 | 111 | L119 T123 F127 D147 I148 | L119-Y125 HydrophobicContact CB-CD2 4.5Å; T123-Y125 VanDerWaalsContact C-N 3.3Å; T123-Y125 PolarHBondContact O-N 3.19Å; T123-Y125 WeakPolarHBondContact OG1-CD2 3.5Å; Y125-F127 VanDerWaalsContact CB-CE1 3.44Å; Y125-F127 HydrophobicContact CD1-CD1 4.4Å; Y125-F127 AromaticContact CD1-CE1 3.5Å; Y125-F127 HydrophobicContact CD1-CE1 3.5Å; Y125-F127 VanDerWaalsContact CD1-CE1 3.5Å; Y125-F127 HydrophobicContact CD1-CZ 4.13Å; Y125-F127 HydrophobicContact CD2-CE1 4.43Å; Y125-F127 HydrophobicContact CD2-CZ 4.29Å; Y125-F127 HydrophobicContact CE1-CE1 4.39Å; Y125-F127 HydrophobicContact CG-CD1 4.47Å; Y125-F127 AromaticContact CG-CE1 3.54Å; Y125-F127 HydrophobicContact CG-CE1 3.54Å; Y125-F127 AromaticContact CG-CZ 3.8Å; Y125-F127 HydrophobicContact CG-CZ 3.8Å; Y125-F127 PolarHBondContact O-N 2.88Å; Y125-D147 WeakPolarHBondContact CE2-OD2 3.24Å; Y125-D147 PolarHBondContact OH-OD1 3.15Å; Y125-D147 PolarHBondContact OH-OD2 2.96Å; Y125-I148 HydrophobicContact CE1-CD1 4.15Å; Y125-I148 HydrophobicContact CE2-CD1 4.23Å; Y125-I148 HydrophobicContact CE2-CG1 4.36Å | ||
| 126 | P | 88.4 | Confident | 91 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -79.2 | -20.3 | -172.2 | 30.2 | -34.5 | 0 | 0 | 0 | 113.3 | R124 F128 H129 D130 | R124-P126 WeakPolarHBondContact O-CD 3.48Å; P126-F128 VanDerWaalsContact C-N 3.27Å; P126-F128 PolarHBondContact O-N 3.41Å; P126-F128 VanDerWaalsContact O-N 3.1Å; P126-H129 PolarHBondContact O-N 3.28Å; P126-D130 PolarHBondContact O-N 2.99Å |
| 127 | F | 89.3 | Confident | 90.6 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -71.4 | -11.2 | -161.7 | 49.1 | -100.5 | 0 | 0 | 0 | 116.6 | L120 Y125 D130 P131 S133 V134 N200 L203 L204 | L120-F127 HydrophobicContact CD2-CD2 3.71Å; L120-F127 HydrophobicContact CD2-CE2 3.17Å; L120-F127 HydrophobicContact CD2-CZ 4.01Å; Y125-F127 VanDerWaalsContact CB-CE1 3.44Å; Y125-F127 HydrophobicContact CD1-CD1 4.4Å; Y125-F127 AromaticContact CD1-CE1 3.5Å; Y125-F127 HydrophobicContact CD1-CE1 3.5Å; Y125-F127 VanDerWaalsContact CD1-CE1 3.5Å; Y125-F127 HydrophobicContact CD1-CZ 4.13Å; Y125-F127 HydrophobicContact CD2-CE1 4.43Å; Y125-F127 HydrophobicContact CD2-CZ 4.29Å; Y125-F127 HydrophobicContact CE1-CE1 4.39Å; Y125-F127 HydrophobicContact CG-CD1 4.47Å; Y125-F127 AromaticContact CG-CE1 3.54Å; Y125-F127 HydrophobicContact CG-CE1 3.54Å; Y125-F127 AromaticContact CG-CZ 3.8Å; Y125-F127 HydrophobicContact CG-CZ 3.8Å; Y125-F127 PolarHBondContact O-N 2.88Å; F127-D130 WeakPolarHBondContact CA-O 3.41Å; F127-P131 WeakPolarHBondContact O-CA 3.26Å; F127-S133 WeakPolarHBondContact CA-OG 3.38Å; F127-S133 WeakPolarHBondContact CB-OG 3.47Å; F127-S133 PolarHBondContact N-OG 2.91Å; F127-V134 HydrophobicContact CB-CB 4.45Å; F127-V134 HydrophobicContact CB-CG1 3.46Å; F127-V134 VanDerWaalsContact CB-CG1 3.46Å; F127-V134 HydrophobicContact CD2-CG1 4.22Å; F127-V134 HydrophobicContact CG-CG1 3.99Å; F127-N200 HydrophobicContact CD1-CB 4.18Å; F127-N200 HydrophobicContact CE1-CB 4.05Å; F127-N200 HydrophobicContact CE2-CB 4.39Å; F127-N200 HydrophobicContact CG-CB 4.43Å; F127-N200 HydrophobicContact CZ-CB 4.18Å; F127-L203 HydrophobicContact CE2-CB 4.35Å; F127-L203 HydrophobicContact CE2-CD2 3.94Å; F127-L203 HydrophobicContact CZ-CD2 3.84Å; F127-L204 HydrophobicContact CD2-CD1 4.31Å; F127-L204 HydrophobicContact CD2-CD2 3.92Å; F127-L204 HydrophobicContact CD2-CG 3.9Å; F127-L204 HydrophobicContact CE2-CD2 4.48Å; F127-L204 HydrophobicContact CE2-CG 4.42Å |
| 128 | F | 89.3 | Confident | 90.4 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -72.3 | -39.6 | 166.7 | -174.5 | -102 | 0 | 0 | 0 | 111.8 | L120 L121 P126 L204 F207 W258 K262 | L120-F128 HydrophobicContact CB-CB 4.28Å; L120-F128 HydrophobicContact CD1-CD2 4.27Å; L120-F128 HydrophobicContact CD2-CB 4.34Å; L121-F128 HydrophobicContact CD2-CD1 3.59Å; L121-F128 HydrophobicContact CD2-CE1 3.77Å; L121-F128 HydrophobicContact CD2-CG 4.16Å; L121-F128 HydrophobicContact CD2-CZ 4.48Å; P126-F128 VanDerWaalsContact C-N 3.27Å; P126-F128 PolarHBondContact O-N 3.41Å; P126-F128 VanDerWaalsContact O-N 3.1Å; F128-L204 HydrophobicContact CB-CD2 4.33Å; F128-L204 HydrophobicContact CD2-CD2 4.02Å; F128-F207 HydrophobicContact CD2-CD1 4.33Å; F128-F207 HydrophobicContact CD2-CE1 4.24Å; F128-F207 AromaticContact CE2-CD1 3.87Å; F128-F207 HydrophobicContact CE2-CD1 3.87Å; F128-F207 AromaticContact CE2-CE1 3.47Å; F128-F207 HydrophobicContact CE2-CE1 3.47Å; F128-F207 VanDerWaalsContact CE2-CE1 3.47Å; F128-F207 HydrophobicContact CE2-CZ 4.41Å; F128-F207 AromaticContact CZ-CE1 3.97Å; F128-F207 HydrophobicContact CZ-CE1 3.97Å; F128-W258 HydrophobicContact CE2-CZ3 4.37Å; F128-W258 HydrophobicContact CZ-CE3 4.31Å; F128-W258 HydrophobicContact CZ-CH2 4.12Å; F128-W258 AromaticContact CZ-CZ3 3.8Å; F128-W258 HydrophobicContact CZ-CZ3 3.8Å; F128-K262 PolarHBondContact O-NZ 2.95Å |
| 129 | H | 89 | Confident | 90 | Very high | 134 Ų | 134 | 59 Ų | 59 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -33.4 | -177.9 | -65.3 | -74.2 | 0 | 0 | 0 | 112.5 | P126 P131 | P126-H129 PolarHBondContact O-N 3.28Å; H129-P131 WeakPolarHBondContact O-CD 3.35Å |
| 130 | D | 88.6 | Confident | 89.6 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -120.8 | 80.1 | 174.7 | -178.5 | 33.6 | 0 | 0 | 0 | 110.4 | P13 P126 F127 P132 S133 Y136 | P13-D130 HydrophobicContact CB-CB 4.35Å; P126-D130 PolarHBondContact O-N 2.99Å; F127-D130 WeakPolarHBondContact CA-O 3.41Å; D130-P132 VanDerWaalsContact C-CD 3.4Å; D130-P132 VanDerWaalsContact C-N 3.34Å; D130-P132 WeakPolarHBondContact OD1-CD 3.42Å; D130-S133 WeakPolarHBondContact O-CB 3.38Å; D130-S133 PolarHBondContact O-N 3.35Å; D130-S133 PolarHBondContact O-OG 3.22Å; D130-S133 WeakPolarHBondContact OD2-CB 3.29Å; D130-Y136 WeakPolarHBondContact OD2-CE2 3.49Å; D130-Y136 PolarHBondContact OD2-OH 3.47Å |
| 131 | P | 87.6 | Confident | 89.2 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.045 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -53.4 | -36.9 | -175 | -23.9 | 32.6 | 0 | 0 | 0 | 116 | F127 H129 S133 V134 K262 A266 | F127-P131 WeakPolarHBondContact O-CA 3.26Å; H129-P131 WeakPolarHBondContact O-CD 3.35Å; P131-S133 PolarHBondContact O-N 2.81Å; P131-S133 VanDerWaalsContact O-N 3.15Å; P131-V134 WeakPolarHBondContact O-CG1 3.27Å; P131-V134 VanDerWaalsContact O-CG2 3.24Å; P131-V134 WeakPolarHBondContact O-CG2 3.29Å; P131-V134 PolarHBondContact O-N 3.09Å; P131-K262 HydrophobicContact CB-CB 4.16Å; P131-K262 WeakPolarHBondContact CB-O 3.45Å; P131-K262 HydrophobicContact CG-CB 3.98Å; P131-K262 HydrophobicContact CG-CD 4.4Å; P131-K262 HydrophobicContact CG-CG 3.8Å; P131-A266 HydrophobicContact CB-CB 4.47Å |
| 132 | P | 88.2 | Confident | 89.1 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -54.3 | -28.9 | 173.1 | -29.5 | 37.2 | 0 | 0 | 0 | 114.5 | D130 V134 F135 Y136 | D130-P132 VanDerWaalsContact C-CD 3.4Å; D130-P132 VanDerWaalsContact C-N 3.34Å; D130-P132 WeakPolarHBondContact OD1-CD 3.42Å; P132-V134 PolarHBondContact O-N 3.4Å; P132-F135 PolarHBondContact O-N 3.45Å; P132-Y136 HydrophobicContact CB-CE1 4.19Å; P132-Y136 WeakPolarHBondContact O-CE1 3.43Å |
| 133 | S | 89.4 | Confident | 89.2 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -64.6 | -10.9 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 115.5 | F127 D130 P131 F135 Y136 | F127-S133 WeakPolarHBondContact CA-OG 3.38Å; F127-S133 WeakPolarHBondContact CB-OG 3.47Å; F127-S133 PolarHBondContact N-OG 2.91Å; D130-S133 WeakPolarHBondContact O-CB 3.38Å; D130-S133 PolarHBondContact O-N 3.35Å; D130-S133 PolarHBondContact O-OG 3.22Å; D130-S133 WeakPolarHBondContact OD2-CB 3.29Å; P131-S133 PolarHBondContact O-N 2.81Å; P131-S133 VanDerWaalsContact O-N 3.15Å; S133-F135 PolarHBondContact O-N 3.02Å; S133-F135 VanDerWaalsContact O-N 3.1Å; S133-Y136 VanDerWaalsContact CA-CD2 3.41Å; S133-Y136 VanDerWaalsContact CA-CE2 3.5Å; S133-Y136 VanDerWaalsContact CB-CE2 3.44Å; S133-Y136 PolarHBondContact O-N 3.12Å; S133-Y136 VanDerWaalsContact O-N 3.15Å |
| 134 | V | 91.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.8 | -23.9 | 173.8 | -64.3 | 0 | 0 | 0 | 0 | 113.6 | F127 P131 P132 N200 V201 L204 A266 | F127-V134 HydrophobicContact CB-CB 4.45Å; F127-V134 HydrophobicContact CB-CG1 3.46Å; F127-V134 VanDerWaalsContact CB-CG1 3.46Å; F127-V134 HydrophobicContact CD2-CG1 4.22Å; F127-V134 HydrophobicContact CG-CG1 3.99Å; P131-V134 WeakPolarHBondContact O-CG1 3.27Å; P131-V134 VanDerWaalsContact O-CG2 3.24Å; P131-V134 WeakPolarHBondContact O-CG2 3.29Å; P131-V134 PolarHBondContact O-N 3.09Å; P132-V134 PolarHBondContact O-N 3.4Å; V134-N200 HydrophobicContact CB-CB 3.99Å; V134-N200 HydrophobicContact CG1-CB 4.09Å; V134-N200 PolarHBondContact O-ND2 3.45Å; V134-V201 HydrophobicContact CB-CG2 3.85Å; V134-V201 HydrophobicContact CG1-CG2 4.34Å; V134-V201 HydrophobicContact CG2-CG2 3.67Å; V134-L204 HydrophobicContact CG1-CD1 3.64Å; V134-A266 HydrophobicContact CG2-CB 3.9Å |
| 135 | F | 91.5 | Very high | 89.7 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -109.6 | 0.6 | 179.1 | -67.3 | -68.6 | 0 | 0 | 0 | 114.1 | P132 S133 D137 W138 Y198 V201 A266 T267 S271 I278 | P132-F135 PolarHBondContact O-N 3.45Å; S133-F135 PolarHBondContact O-N 3.02Å; S133-F135 VanDerWaalsContact O-N 3.1Å; F135-D137 PolarHBondContact O-N 3.42Å; F135-W138 WeakPolarHBondContact O-CB 3.24Å; F135-W138 PolarHBondContact O-N 2.75Å; F135-Y198 HydrophobicContact CD1-CD1 4.39Å; F135-Y198 AromaticContact CE1-CD1 3.65Å; F135-Y198 HydrophobicContact CE1-CD1 3.65Å; F135-Y198 AromaticContact CE1-CE1 3.96Å; F135-Y198 HydrophobicContact CE1-CE1 3.96Å; F135-Y198 HydrophobicContact CE1-CG 4.19Å; F135-V201 HydrophobicContact CE1-CG2 4.3Å; F135-V201 HydrophobicContact CE2-CG2 4Å; F135-V201 HydrophobicContact CZ-CG2 3.69Å; F135-A266 WeakPolarHBondContact CE2-O 3.18Å; F135-T267 HydrophobicContact CE2-CG2 4.11Å; F135-T267 HydrophobicContact CZ-CG2 4.07Å; F135-S271 VanDerWaalsContact CE2-CB 3.46Å; F135-I278 HydrophobicContact CD1-CD1 3.58Å; F135-I278 HydrophobicContact CE1-CD1 3.36Å; F135-I278 HydrophobicContact CG-CD1 4.47Å; F135-I278 HydrophobicContact CZ-CD1 4.12Å |
| 136 | Y | 89.2 | Confident | 89.8 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 136 | 176.4 | -65.2 | -6.8 | 0 | 0 | 0 | 109.8 | D130 P132 S133 W138 | D130-Y136 WeakPolarHBondContact OD2-CE2 3.49Å; D130-Y136 PolarHBondContact OD2-OH 3.47Å; P132-Y136 HydrophobicContact CB-CE1 4.19Å; P132-Y136 WeakPolarHBondContact O-CE1 3.43Å; S133-Y136 VanDerWaalsContact CA-CD2 3.41Å; S133-Y136 VanDerWaalsContact CA-CE2 3.5Å; S133-Y136 VanDerWaalsContact CB-CE2 3.44Å; S133-Y136 PolarHBondContact O-N 3.12Å; S133-Y136 VanDerWaalsContact O-N 3.15Å; Y136-W138 PolarHBondContact O-N 3.3Å |
| 137 | D | 86.8 | Confident | 90.2 | Very high | 135 Ų | 135 | 59.2 Ų | 59.2 | 72% | 0.722 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 20.9 | -176.8 | -60.2 | -52.4 | 0 | 0 | 0 | 115.3 | F135 R139 | F135-D137 PolarHBondContact O-N 3.42Å; D137-R139 PolarHBondContact O-N 2.97Å |
| 138 | W | 92.5 | Very high | 90.5 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | trans | -60.1 | 131.7 | 176.6 | 178 | 91.4 | 0 | 0 | 0 | 110.4 | F135 Y136 F196 Y198 V275 P279 | F135-W138 WeakPolarHBondContact O-CB 3.24Å; F135-W138 PolarHBondContact O-N 2.75Å; Y136-W138 PolarHBondContact O-N 3.3Å; W138-F196 WeakPolarHBondContact CZ2-O 3.38Å; W138-F196 PolarHBondContact NE1-O 3.22Å; W138-Y198 AromaticContact CE2-CE1 3.68Å; W138-Y198 AromaticContact CZ2-CE1 3.97Å; W138-Y198 HydrophobicContact CZ2-CE1 3.97Å; W138-Y198 AromaticContact NE1-CD1 3.54Å; W138-Y198 AromaticContact NE1-CE1 3.35Å; W138-Y198 VanDerWaalsContact NE1-CE1 3.35Å; W138-V275 HydrophobicContact CB-CG2 4.14Å; W138-V275 HydrophobicContact CE3-CB 4.49Å; W138-V275 HydrophobicContact CE3-CG1 3.76Å; W138-V275 HydrophobicContact CE3-CG2 4.04Å; W138-V275 HydrophobicContact CZ3-CG1 3.93Å; W138-P279 HydrophobicContact CH2-CG 3.48Å; W138-P279 VanDerWaalsContact CH2-CG 3.48Å; W138-P279 HydrophobicContact CZ2-CG 3.76Å | ||
| 139 | R | 89.1 | Confident | 90.8 | Very high | 176 Ų | 176 | 58.9 Ų | 58.9 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | trans | -137.8 | 141 | 175.5 | -62.3 | 178.6 | -170.3 | -144.5 | 0.2 | 109.5 | D137 G141 M142 | D137-R139 PolarHBondContact O-N 2.97Å; R139-G141 PolarHBondContact O-N 3.32Å; R139-M142 HydrophobicContact CB-CB 4.45Å; R139-M142 WeakPolarHBondContact O-CB 3.37Å; R139-M142 WeakPolarHBondContact O-CG 3.38Å; R139-M142 PolarHBondContact O-N 2.89Å; R139-M142 VanDerWaalsContact O-N 3.15Å | ||
| 140 | S | 87.7 | Confident | 91.1 | Very high | 50 Ų | 50 | 54.3 Ų | 54.3 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 133 | 171.4 | -163.2 | 0 | 0 | 0 | 0 | 110 | H52 H54 M142 | H52-S140 PolarHBondContact ND1-OG 3.44Å; H54-S140 PolarHBondContact NE2-OG 3.04Å; S140-M142 PolarHBondContact O-N 2.77Å |
| 141 | G | 85.4 | Confident | 91.5 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 6.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | H54 R139 | H54-G141 WeakPolarHBondContact CD2-CA 3.4Å; H54-G141 PolarHBondContact CD2-N 3.31Å; H54-G141 VanDerWaalsContact CD2-N 3.32Å; H54-G141 WeakPolarHBondContact NE2-CA 3.41Å; H54-G141 PolarHBondContact NE2-N 2.88Å; H54-G141 VanDerWaalsContact NE2-N 3.18Å; R139-G141 PolarHBondContact O-N 3.32Å |
| 142 | M | 91.3 | Very high | 92 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 143.7 | 174.3 | 68.9 | -174.7 | -66.1 | 0 | 0 | 111.3 | R139 S140 V144 R197 | R139-M142 HydrophobicContact CB-CB 4.45Å; R139-M142 WeakPolarHBondContact O-CB 3.37Å; R139-M142 WeakPolarHBondContact O-CG 3.38Å; R139-M142 PolarHBondContact O-N 2.89Å; R139-M142 VanDerWaalsContact O-N 3.15Å; S140-M142 PolarHBondContact O-N 2.77Å; M142-V144 PolarHBondContact O-N 2.97Å; M142-R197 HydrophobicContact CG-CB 3.77Å; M142-R197 HydrophobicContact CG-CG 3.95Å; M142-R197 WeakPolarHBondContact O-CD 3.35Å; M142-R197 PolarHBondContact O-NE 3.12Å; M142-R197 HydrophobicContact SD-CB 4.35Å |
| 143 | A | 91.1 | Very high | 92.4 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 137.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 144 | V | 93.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 126.8 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | M142 W146 I148 A149 Y194 H199 | M142-V144 PolarHBondContact O-N 2.97Å; V144-W146 PolarHBondContact O-N 3.49Å; V144-I148 HydrophobicContact CG1-CB 4.13Å; V144-I148 HydrophobicContact CG1-CG2 4.11Å; V144-A149 HydrophobicContact CG1-CB 4.15Å; V144-Y194 HydrophobicContact CB-CE2 4.1Å; V144-Y194 HydrophobicContact CG1-CE2 3.86Å; V144-Y194 HydrophobicContact CG2-CD2 4.43Å; V144-Y194 HydrophobicContact CG2-CE2 3.96Å; V144-H199 HydrophobicContact CG1-CB 4.06Å; V144-H199 HydrophobicContact CG2-CB 4.48Å |
| 145 | P | 94.3 | Very high | 93 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 29% | 0.292 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 137.8 | 172.7 | -29 | 37.8 | 0 | 0 | 0 | 111.8 | D147 I148 A149 | P145-D147 VanDerWaalsContact C-N 3.26Å; P145-D147 VanDerWaalsContact C-OD1 3.32Å; P145-D147 WeakPolarHBondContact CB-OD1 3.23Å; P145-D147 PolarHBondContact O-N 2.91Å; P145-I148 HydrophobicContact CB-CB 4.49Å; P145-I148 HydrophobicContact CB-CD1 4.3Å; P145-I148 HydrophobicContact CB-CG1 4.28Å; P145-I148 HydrophobicContact CG-CD1 4.16Å; P145-I148 PolarHBondContact O-N 2.86Å; P145-I148 VanDerWaalsContact O-N 3.08Å; P145-A149 PolarHBondContact O-N 3.3Å |
| 146 | W | 93.6 | Very high | 93.3 | Very high | 230 Ų | 230 | 57.6 Ų | 57.6 | 87% | 0.871 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.5 | -34.2 | -172.7 | -85.7 | 109.7 | 0 | 0 | 0 | 113.8 | V144 A149 A150 | V144-W146 PolarHBondContact O-N 3.49Å; W146-A149 PolarHBondContact O-N 3.45Å; W146-A150 WeakPolarHBondContact O-CB 2.95Å; W146-A150 PolarHBondContact O-N 3.3Å |
| 147 | D | 95.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 173.4 | 56.3 | -27 | 0 | 0 | 0 | 112 | Y115 L119 Y125 P145 A150 A151 | Y115-D147 WeakPolarHBondContact CE1-O 3.44Å; Y115-D147 VanDerWaalsContact OH-CA 3.31Å; Y115-D147 WeakPolarHBondContact OH-CA 3.22Å; Y115-D147 PolarHBondContact OH-O 3.04Å; L119-D147 HydrophobicContact CD2-CB 3.9Å; Y125-D147 WeakPolarHBondContact CE2-OD2 3.24Å; Y125-D147 PolarHBondContact OH-OD1 3.15Å; Y125-D147 PolarHBondContact OH-OD2 2.96Å; P145-D147 VanDerWaalsContact C-N 3.26Å; P145-D147 VanDerWaalsContact C-OD1 3.32Å; P145-D147 WeakPolarHBondContact CB-OD1 3.23Å; P145-D147 PolarHBondContact O-N 2.91Å; D147-A150 PolarHBondContact O-N 3.14Å; D147-A151 PolarHBondContact O-N 2.79Å |
| 148 | I | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68 | -41.5 | 174.9 | -58.8 | 179.9 | 0 | 0 | 0 | 110.2 | Y125 V144 P145 A150 A151 Y152 H199 L203 | Y125-I148 HydrophobicContact CE1-CD1 4.15Å; Y125-I148 HydrophobicContact CE2-CD1 4.23Å; Y125-I148 HydrophobicContact CE2-CG1 4.36Å; V144-I148 HydrophobicContact CG1-CB 4.13Å; V144-I148 HydrophobicContact CG1-CG2 4.11Å; P145-I148 HydrophobicContact CB-CB 4.49Å; P145-I148 HydrophobicContact CB-CD1 4.3Å; P145-I148 HydrophobicContact CB-CG1 4.28Å; P145-I148 HydrophobicContact CG-CD1 4.16Å; P145-I148 PolarHBondContact O-N 2.86Å; P145-I148 VanDerWaalsContact O-N 3.08Å; I148-A150 VanDerWaalsContact C-N 3.28Å; I148-A150 PolarHBondContact O-N 2.99Å; I148-A151 WeakPolarHBondContact O-CB 3.32Å; I148-A151 PolarHBondContact O-N 3.17Å; I148-A151 VanDerWaalsContact O-N 3.13Å; I148-Y152 HydrophobicContact CG2-CD2 3.79Å; I148-Y152 HydrophobicContact CG2-CE2 3.82Å; I148-Y152 WeakPolarHBondContact O-CD2 3.35Å; I148-Y152 PolarHBondContact O-N 2.98Å; I148-H199 HydrophobicContact CG2-CB 3.92Å; I148-L203 HydrophobicContact CG1-CD2 4.39Å |
| 149 | A | 95.8 | Very high | 94.2 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 12% | 0.116 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V144 P145 W146 Y152 L153 Y194 | V144-A149 HydrophobicContact CG1-CB 4.15Å; P145-A149 PolarHBondContact O-N 3.3Å; W146-A149 PolarHBondContact O-N 3.45Å; A149-Y152 WeakPolarHBondContact O-CB 3.45Å; A149-Y152 PolarHBondContact O-N 2.66Å; A149-L153 WeakPolarHBondContact O-CB 3.36Å; A149-L153 PolarHBondContact O-N 3.49Å; A149-Y194 HydrophobicContact CB-CE2 4.18Å |
| 150 | A | 96.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 31% | 0.306 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y115 W146 D147 I148 Y152 L153 L154 | Y115-A150 HydrophobicContact CE1-CB 4.39Å; W146-A150 WeakPolarHBondContact O-CB 2.95Å; W146-A150 PolarHBondContact O-N 3.3Å; D147-A150 PolarHBondContact O-N 3.14Å; I148-A150 VanDerWaalsContact C-N 3.28Å; I148-A150 PolarHBondContact O-N 2.99Å; A150-Y152 VanDerWaalsContact C-N 3.29Å; A150-Y152 PolarHBondContact O-N 2.81Å; A150-L153 PolarHBondContact O-N 3.47Å; A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 VanDerWaalsContact O-CG 3.28Å; A150-L154 WeakPolarHBondContact O-CG 3.32Å; A150-L154 PolarHBondContact O-N 3.08Å |
| 151 | A | 97.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y115 D147 I148 L154 Q155 L203 | Y115-A151 HydrophobicContact CD1-CB 3.97Å; Y115-A151 HydrophobicContact CE1-CB 3.8Å; D147-A151 PolarHBondContact O-N 2.79Å; I148-A151 WeakPolarHBondContact O-CB 3.32Å; I148-A151 PolarHBondContact O-N 3.17Å; I148-A151 VanDerWaalsContact O-N 3.13Å; A151-L154 PolarHBondContact O-N 3.5Å; A151-Q155 WeakPolarHBondContact O-CB 3.43Å; A151-Q155 VanDerWaalsContact O-CG 3.28Å; A151-Q155 WeakPolarHBondContact O-CG 3.08Å; A151-Q155 PolarHBondContact O-N 3.39Å; A151-L203 HydrophobicContact CB-CD1 4.17Å |
| 152 | Y | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 176.5 | -93.3 | -99.1 | 0 | 0 | 0 | 113.1 | I148 A149 A150 G156 I190 S193 Y194 H199 G202 F206 | I148-Y152 HydrophobicContact CG2-CD2 3.79Å; I148-Y152 HydrophobicContact CG2-CE2 3.82Å; I148-Y152 WeakPolarHBondContact O-CD2 3.35Å; I148-Y152 PolarHBondContact O-N 2.98Å; A149-Y152 WeakPolarHBondContact O-CB 3.45Å; A149-Y152 PolarHBondContact O-N 2.66Å; A150-Y152 VanDerWaalsContact C-N 3.29Å; A150-Y152 PolarHBondContact O-N 2.81Å; Y152-G156 WeakPolarHBondContact O-CA 3.38Å; Y152-G156 PolarHBondContact O-N 3.03Å; Y152-I190 HydrophobicContact CD1-CG2 3.75Å; Y152-I190 HydrophobicContact CE1-CG2 4.1Å; Y152-I190 WeakPolarHBondContact CE1-O 3.31Å; Y152-S193 WeakPolarHBondContact CE1-OG 3.3Å; Y152-S193 PolarHBondContact OH-OG 3.14Å; Y152-Y194 AromaticContact CD1-CD2 3.6Å; Y152-Y194 HydrophobicContact CD1-CD2 3.6Å; Y152-Y194 HydrophobicContact CD1-CG 4.11Å; Y152-Y194 HydrophobicContact CD2-CD2 4.35Å; Y152-Y194 HydrophobicContact CE1-CD2 4.22Å; Y152-Y194 AromaticContact CG-CD2 3.67Å; Y152-Y194 HydrophobicContact CG-CD2 3.67Å; Y152-Y194 HydrophobicContact CG-CE2 4.35Å; Y152-H199 HydrophobicContact CE2-CB 3.94Å; Y152-H199 WeakPolarHBondContact CE2-O 3.31Å; Y152-H199 VanDerWaalsContact OH-CA 3.23Å; Y152-H199 WeakPolarHBondContact OH-CA 3.43Å; Y152-H199 PolarHBondContact OH-O 3.48Å; Y152-G202 WeakPolarHBondContact OH-CA 3.33Å; Y152-G202 PolarHBondContact OH-N 2.9Å; Y152-F206 HydrophobicContact CD1-CE2 4.47Å; Y152-F206 HydrophobicContact CD1-CZ 4.36Å; Y152-F206 AromaticContact CD2-CE2 3.9Å; Y152-F206 HydrophobicContact CD2-CE2 3.9Å; Y152-F206 HydrophobicContact CE1-CE2 4.41Å; Y152-F206 HydrophobicContact CE1-CZ 4.24Å; Y152-F206 AromaticContact CE2-CE2 3.85Å; Y152-F206 HydrophobicContact CE2-CE2 3.85Å; Y152-F206 HydrophobicContact CE2-CZ 4.46Å; Y152-F206 HydrophobicContact CG-CE2 4.22Å |
| 153 | L | 96.7 | Very high | 95.5 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 177.4 | 179.6 | 64.4 | 0 | 0 | 0 | 111 | L62 A63 A149 A150 S157 | L62-L153 HydrophobicContact CD2-CD1 4.36Å; L62-L153 HydrophobicContact CD2-CD2 3.62Å; L62-L153 HydrophobicContact CG-CD1 4.07Å; L62-L153 HydrophobicContact CG-CD2 3.92Å; A63-L153 HydrophobicContact CB-CD1 3.9Å; A149-L153 WeakPolarHBondContact O-CB 3.36Å; A149-L153 PolarHBondContact O-N 3.49Å; A150-L153 PolarHBondContact O-N 3.47Å; L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.15Å; L153-S157 PolarHBondContact O-OG 2.92Å |
| 154 | L | 96.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 35.6 Ų | 35.6 | 32% | 0.319 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.1 | -51.3 | 178.5 | -69.9 | 173.4 | 0 | 0 | 0 | 111.2 | W70 A150 A151 S157 F158 | W70-L154 HydrophobicContact CH2-CD2 4.14Å; W70-L154 HydrophobicContact CZ2-CD2 3.66Å; A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 VanDerWaalsContact O-CG 3.28Å; A150-L154 WeakPolarHBondContact O-CG 3.32Å; A150-L154 PolarHBondContact O-N 3.08Å; A151-L154 PolarHBondContact O-N 3.5Å; L154-S157 PolarHBondContact O-OG 3.05Å; L154-F158 VanDerWaalsContact O-CB 3.31Å; L154-F158 WeakPolarHBondContact O-CB 3.38Å; L154-F158 PolarHBondContact O-N 2.92Å; L154-F158 VanDerWaalsContact O-N 3.14Å |
| 155 | Q | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66 | -54 | -179.9 | -70.1 | -79.7 | 45.4 | 0 | 0 | 111.9 | A151 S157 F158 Y159 I190 F206 D210 | A151-Q155 WeakPolarHBondContact O-CB 3.43Å; A151-Q155 VanDerWaalsContact O-CG 3.28Å; A151-Q155 WeakPolarHBondContact O-CG 3.08Å; A151-Q155 PolarHBondContact O-N 3.39Å; Q155-S157 PolarHBondContact O-N 3.43Å; Q155-F158 PolarHBondContact O-N 3.27Å; Q155-F158 VanDerWaalsContact O-N 3.14Å; Q155-Y159 VanDerWaalsContact O-CD2 3.31Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.19Å; Q155-Y159 PolarHBondContact O-N 2.98Å; Q155-I190 HydrophobicContact CB-CD1 4.36Å; Q155-F206 HydrophobicContact CB-CD1 4.44Å; Q155-F206 HydrophobicContact CB-CE1 3.96Å; Q155-F206 HydrophobicContact CB-CE2 4.19Å; Q155-F206 HydrophobicContact CB-CZ 3.82Å; Q155-F206 HydrophobicContact CG-CD1 4.06Å; Q155-F206 HydrophobicContact CG-CD2 4Å; Q155-F206 HydrophobicContact CG-CE1 4.07Å; Q155-F206 HydrophobicContact CG-CE2 4.01Å; Q155-F206 HydrophobicContact CG-CG 4.04Å; Q155-F206 HydrophobicContact CG-CZ 4.05Å; Q155-D210 PolarHBondContact NE2-OD2 3.06Å |
| 156 | G | 96.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 33 Ų | 33 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.6 | -47 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y152 F158 Y159 C160 | Y152-G156 WeakPolarHBondContact O-CA 3.38Å; Y152-G156 PolarHBondContact O-N 3.03Å; G156-F158 VanDerWaalsContact C-N 3.35Å; G156-F158 PolarHBondContact O-N 3.37Å; G156-Y159 PolarHBondContact O-N 2.92Å; G156-C160 PolarHBondContact O-N 2.94Å; G156-C160 PolarHBondContact O-SG 2.96Å; G156-C160 VanDerWaalsContact O-SG 3.41Å |
| 157 | S | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -34.5 | 178.3 | 63 | 0 | 0 | 0 | 0 | 113.1 | A63 C66 A67 W70 L153 L154 Q155 C160 H161 | A63-S157 VanDerWaalsContact O-CB 3.26Å; A63-S157 WeakPolarHBondContact O-CB 3.4Å; C66-S157 VanDerWaalsContact CB-CB 3.46Å; A67-S157 WeakPolarHBondContact CA-O 3.46Å; A67-S157 VanDerWaalsContact CB-O 3.3Å; A67-S157 WeakPolarHBondContact CB-O 3.48Å; W70-S157 PolarHBondContact NE1-OG 3.28Å; L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.15Å; L153-S157 PolarHBondContact O-OG 2.92Å; L154-S157 PolarHBondContact O-OG 3.05Å; Q155-S157 PolarHBondContact O-N 3.43Å; S157-C160 WeakPolarHBondContact O-CB 3.31Å; S157-C160 PolarHBondContact O-N 3.49Å; S157-H161 PolarHBondContact O-N 3.18Å |
| 158 | F | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.6 | -35 | 175.1 | -174.7 | -95.2 | 0 | 0 | 0 | 112.8 | W70 W104 F108 Y109 L154 Q155 G156 H161 S162 | W70-F158 HydrophobicContact CD2-CD2 4.47Å; W70-F158 HydrophobicContact CG-CD2 4.33Å; W104-F158 AromaticContact NE1-CE2 3.53Å; F108-F158 HydrophobicContact CB-CD2 4.25Å; F108-F158 HydrophobicContact CB-CE2 3.66Å; F108-F158 HydrophobicContact CB-CZ 3.83Å; F108-F158 HydrophobicContact CD1-CB 4.42Å; F108-F158 AromaticContact CD1-CD1 3.4Å; F108-F158 HydrophobicContact CD1-CD1 3.4Å; F108-F158 AromaticContact CD1-CD2 3.76Å; F108-F158 HydrophobicContact CD1-CD2 3.76Å; F108-F158 AromaticContact CD1-CE1 3.35Å; F108-F158 HydrophobicContact CD1-CE1 3.35Å; F108-F158 AromaticContact CD1-CE2 3.7Å; F108-F158 HydrophobicContact CD1-CE2 3.7Å; F108-F158 AromaticContact CD1-CG 3.6Å; F108-F158 HydrophobicContact CD1-CG 3.6Å; F108-F158 AromaticContact CD1-CZ 3.5Å; F108-F158 HydrophobicContact CD1-CZ 3.5Å; F108-F158 HydrophobicContact CD2-CB 4.15Å; F108-F158 HydrophobicContact CD2-CD1 4.36Å; F108-F158 AromaticContact CD2-CD2 3.27Å; F108-F158 HydrophobicContact CD2-CD2 3.27Å; F108-F158 AromaticContact CD2-CE2 3.6Å; F108-F158 HydrophobicContact CD2-CE2 3.6Å; F108-F158 AromaticContact CD2-CG 3.69Å; F108-F158 HydrophobicContact CD2-CG 3.69Å; F108-F158 HydrophobicContact CD2-CZ 4.29Å; F108-F158 HydrophobicContact CE1-CB 3.71Å; F108-F158 AromaticContact CE1-CD1 3.17Å; F108-F158 HydrophobicContact CE1-CD1 3.17Å; F108-F158 AromaticContact CE1-CD2 3.92Å; F108-F158 HydrophobicContact CE1-CD2 3.92Å; F108-F158 AromaticContact CE1-CE1 3.65Å; F108-F158 HydrophobicContact CE1-CE1 3.65Å; F108-F158 HydrophobicContact CE1-CE2 4.3Å; F108-F158 AromaticContact CE1-CG 3.31Å; F108-F158 HydrophobicContact CE1-CG 3.31Å; F108-F158 HydrophobicContact CE1-CZ 4.19Å; F108-F158 HydrophobicContact CE2-CB 3.35Å; F108-F158 HydrophobicContact CE2-CD1 4.17Å; F108-F158 AromaticContact CE2-CD2 3.43Å; F108-F158 HydrophobicContact CE2-CD2 3.43Å; F108-F158 VanDerWaalsContact CE2-CD2 3.43Å; F108-F158 HydrophobicContact CE2-CE2 4.21Å; F108-F158 AromaticContact CE2-CG 3.39Å; F108-F158 HydrophobicContact CE2-CG 3.39Å; F108-F158 HydrophobicContact CG-CD1 4.01Å; F108-F158 AromaticContact CG-CD2 3.45Å; F108-F158 HydrophobicContact CG-CD2 3.45Å; F108-F158 VanDerWaalsContact CG-CD2 3.45Å; F108-F158 AromaticContact CG-CE1 3.92Å; F108-F158 HydrophobicContact CG-CE1 3.92Å; F108-F158 AromaticContact CG-CE2 3.32Å; F108-F158 HydrophobicContact CG-CE2 3.32Å; F108-F158 AromaticContact CG-CG 3.78Å; F108-F158 HydrophobicContact CG-CG 3.78Å; F108-F158 AromaticContact CG-CZ 3.57Å; F108-F158 HydrophobicContact CG-CZ 3.57Å; F108-F158 HydrophobicContact CZ-CB 3.1Å; F108-F158 AromaticContact CZ-CD1 3.6Å; F108-F158 HydrophobicContact CZ-CD1 3.6Å; F108-F158 AromaticContact CZ-CD2 3.76Å; F108-F158 HydrophobicContact CZ-CD2 3.76Å; F108-F158 HydrophobicContact CZ-CE1 4.41Å; F108-F158 AromaticContact CZ-CG 3.2Å; F108-F158 HydrophobicContact CZ-CG 3.2Å; Y109-F158 HydrophobicContact CE1-CE1 4.25Å; L154-F158 VanDerWaalsContact O-CB 3.31Å; L154-F158 WeakPolarHBondContact O-CB 3.38Å; L154-F158 PolarHBondContact O-N 2.92Å; L154-F158 VanDerWaalsContact O-N 3.14Å; Q155-F158 PolarHBondContact O-N 3.27Å; Q155-F158 VanDerWaalsContact O-N 3.14Å; G156-F158 VanDerWaalsContact C-N 3.35Å; G156-F158 PolarHBondContact O-N 3.37Å; F158-H161 CarbonylContact O-C 3.54Å; F158-H161 WeakPolarHBondContact O-CB 3.47Å; F158-H161 PolarHBondContact O-N 2.98Å; F158-S162 WeakPolarHBondContact CD1-OG 3.49Å; F158-S162 VanDerWaalsContact CE1-OG 3.24Å; F158-S162 WeakPolarHBondContact CE1-OG 3.34Å; F158-S162 WeakPolarHBondContact O-CB 3.37Å; F158-S162 PolarHBondContact O-N 3.45Å; F158-S162 PolarHBondContact O-OG 3.01Å |
| 159 | Y | 94.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 173.6 | -89 | -100 | 0 | 0 | 0 | 111.6 | Q155 G156 H161 S162 I163 H183 T186 I190 | Q155-Y159 VanDerWaalsContact O-CD2 3.31Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.19Å; Q155-Y159 PolarHBondContact O-N 2.98Å; G156-Y159 PolarHBondContact O-N 2.92Å; Y159-H161 PolarHBondContact O-N 2.83Å; Y159-S162 PolarHBondContact O-N 2.84Å; Y159-S162 VanDerWaalsContact O-N 3.12Å; Y159-I163 PolarHBondContact O-N 3.48Å; Y159-H183 HydrophobicContact CD1-CB 4.47Å; Y159-H183 AromaticContact CD1-ND1 3.61Å; Y159-H183 AromaticContact CE1-ND1 3.63Å; Y159-T186 WeakPolarHBondContact CD1-OG1 3.37Å; Y159-T186 HydrophobicContact CE1-CG2 4.08Å; Y159-T186 WeakPolarHBondContact CE1-OG1 3.43Å; Y159-I190 HydrophobicContact CD2-CD1 4.17Å; Y159-I190 HydrophobicContact CG-CD1 4.35Å |
| 160 | C | 96 | Very high | 94.8 | Very high | 48 Ų | 48 | 33.9 Ų | 33.9 | 32% | 0.324 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 168.2 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | A67 G156 S157 S162 I163 Y164 | A67-C160 HydrophobicContact CB-CB 3.74Å; G156-C160 PolarHBondContact O-N 2.94Å; G156-C160 PolarHBondContact O-SG 2.96Å; G156-C160 VanDerWaalsContact O-SG 3.41Å; S157-C160 WeakPolarHBondContact O-CB 3.31Å; S157-C160 PolarHBondContact O-N 3.49Å; C160-S162 VanDerWaalsContact C-N 3.29Å; C160-S162 PolarHBondContact O-N 3.14Å; C160-I163 PolarHBondContact O-N 3.36Å; C160-Y164 PolarHBondContact O-N 3Å |
| 161 | H | 95.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 172.7 | 166.8 | 68 | 0 | 0 | 0 | 112 | W70 T71 R74 W104 S157 F158 Y159 I163 Y164 A165 | W70-H161 HydrophobicContact CB-CB 3.92Å; T71-H161 WeakPolarHBondContact CA-ND1 3.46Å; T71-H161 PolarHBondContact OG1-ND1 3.23Å; R74-H161 WeakPolarHBondContact CD-NE2 3.35Å; W104-H161 AromaticContact NE1-NE2 3.61Å; S157-H161 PolarHBondContact O-N 3.18Å; F158-H161 CarbonylContact O-C 3.54Å; F158-H161 WeakPolarHBondContact O-CB 3.47Å; F158-H161 PolarHBondContact O-N 2.98Å; Y159-H161 PolarHBondContact O-N 2.83Å; H161-I163 VanDerWaalsContact C-N 3.35Å; H161-I163 PolarHBondContact O-N 3.49Å; H161-Y164 PolarHBondContact O-N 3Å; H161-A165 VanDerWaalsContact O-CB 3.31Å; H161-A165 WeakPolarHBondContact O-CB 3.33Å; H161-A165 PolarHBondContact O-N 2.97Å |
| 162 | S | 94.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -33.4 | -176.2 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | F158 Y159 C160 A165 T166 | F158-S162 WeakPolarHBondContact CD1-OG 3.49Å; F158-S162 VanDerWaalsContact CE1-OG 3.24Å; F158-S162 WeakPolarHBondContact CE1-OG 3.34Å; F158-S162 WeakPolarHBondContact O-CB 3.37Å; F158-S162 PolarHBondContact O-N 3.45Å; F158-S162 PolarHBondContact O-OG 3.01Å; Y159-S162 PolarHBondContact O-N 2.84Å; Y159-S162 VanDerWaalsContact O-N 3.12Å; C160-S162 VanDerWaalsContact C-N 3.29Å; C160-S162 PolarHBondContact O-N 3.14Å; S162-A165 PolarHBondContact O-N 3.49Å; S162-T166 VanDerWaalsContact O-CB 3.3Å; S162-T166 WeakPolarHBondContact O-CB 3.48Å; S162-T166 PolarHBondContact O-N 3.48Å; S162-T166 PolarHBondContact O-OG1 2.93Å |
| 163 | I | 95.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 22% | 0.221 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -53.7 | 170 | -68.5 | 172.5 | 0 | 0 | 0 | 109.9 | Y159 C160 H161 A165 T166 V167 L180 H183 V184 L187 | Y159-I163 PolarHBondContact O-N 3.48Å; C160-I163 PolarHBondContact O-N 3.36Å; H161-I163 VanDerWaalsContact C-N 3.35Å; H161-I163 PolarHBondContact O-N 3.49Å; I163-A165 VanDerWaalsContact C-N 3.32Å; I163-A165 PolarHBondContact O-N 3.42Å; I163-T166 PolarHBondContact O-N 2.82Å; I163-V167 WeakPolarHBondContact O-CG2 3.33Å; I163-V167 PolarHBondContact O-N 3.37Å; I163-V167 VanDerWaalsContact O-N 3.14Å; I163-L180 HydrophobicContact CG2-CD1 3.95Å; I163-H183 HydrophobicContact CD1-CB 4.27Å; I163-H183 HydrophobicContact CG1-CB 3.59Å; I163-V184 HydrophobicContact CD1-CG2 4.26Å; I163-L187 HydrophobicContact CD1-CD2 4Å |
| 164 | Y | 95.4 | Very high | 92.9 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 177.9 | 173 | -95.1 | 0 | 0 | 0 | 111.7 | T71 C160 H161 V167 Y168 M169 | T71-Y164 HydrophobicContact CG2-CD1 4.01Å; T71-Y164 HydrophobicContact CG2-CE1 3.69Å; C160-Y164 PolarHBondContact O-N 3Å; H161-Y164 PolarHBondContact O-N 3Å; Y164-V167 PolarHBondContact O-N 3.19Å; Y164-Y168 AromaticContact CD2-CD2 3.48Å; Y164-Y168 HydrophobicContact CD2-CD2 3.48Å; Y164-Y168 VanDerWaalsContact CD2-CD2 3.48Å; Y164-Y168 AromaticContact CD2-CE2 3.97Å; Y164-Y168 HydrophobicContact CD2-CE2 3.97Å; Y164-Y168 HydrophobicContact CD2-CG 4.48Å; Y164-Y168 AromaticContact CE2-CD2 3.51Å; Y164-Y168 HydrophobicContact CE2-CD2 3.51Å; Y164-Y168 HydrophobicContact CE2-CE2 4.1Å; Y164-Y168 HydrophobicContact CE2-CG 4.15Å; Y164-Y168 HydrophobicContact CG-CD2 4.24Å; Y164-Y168 WeakPolarHBondContact O-CD2 3.44Å; Y164-Y168 PolarHBondContact O-N 2.83Å; Y164-M169 HydrophobicContact CD1-CG 4.46Å; Y164-M169 HydrophobicContact CD1-SD 4.04Å; Y164-M169 HydrophobicContact CE1-CG 4.03Å; Y164-M169 HydrophobicContact CE1-SD 3.76Å |
| 165 | A | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H161 S162 I163 V167 Y168 M169 D170 | H161-A165 VanDerWaalsContact O-CB 3.31Å; H161-A165 WeakPolarHBondContact O-CB 3.33Å; H161-A165 PolarHBondContact O-N 2.97Å; S162-A165 PolarHBondContact O-N 3.49Å; I163-A165 VanDerWaalsContact C-N 3.32Å; I163-A165 PolarHBondContact O-N 3.42Å; A165-V167 VanDerWaalsContact C-N 3.27Å; A165-V167 PolarHBondContact O-N 2.93Å; A165-Y168 PolarHBondContact O-N 2.53Å; A165-M169 HydrophobicContact CB-CB 4.33Å; A165-M169 HydrophobicContact CB-SD 4.27Å; A165-M169 CarbonylContact O-C 3.56Å; A165-M169 WeakPolarHBondContact O-CA 3.35Å; A165-M169 WeakPolarHBondContact O-CB 3.31Å; A165-M169 PolarHBondContact O-N 3.05Å; A165-D170 PolarHBondContact O-N 3.45Å |
| 166 | T | 92.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | S162 I163 W172 | S162-T166 VanDerWaalsContact O-CB 3.3Å; S162-T166 WeakPolarHBondContact O-CB 3.48Å; S162-T166 PolarHBondContact O-N 3.48Å; S162-T166 PolarHBondContact O-OG1 2.93Å; I163-T166 PolarHBondContact O-N 2.82Å; T166-W172 PolarHBondContact O-NE1 3.34Å; T166-W172 VanDerWaalsContact O-NE1 3.12Å |
| 167 | V | 92.9 | Very high | 92.1 | Very high | 51 Ų | 51 | 46 Ų | 46 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.6 | -43.2 | -178.6 | 178 | 0 | 0 | 0 | 0 | 112 | I163 Y164 A165 L180 | I163-V167 WeakPolarHBondContact O-CG2 3.33Å; I163-V167 PolarHBondContact O-N 3.37Å; I163-V167 VanDerWaalsContact O-N 3.14Å; Y164-V167 PolarHBondContact O-N 3.19Å; A165-V167 VanDerWaalsContact C-N 3.27Å; A165-V167 PolarHBondContact O-N 2.93Å; V167-L180 HydrophobicContact CG2-CD1 4.15Å; V167-L180 HydrophobicContact CG2-CD2 4.5Å |
| 168 | Y | 91.8 | Very high | 92 | Very high | 168 Ų | 168 | 48 Ų | 48 | 66% | 0.659 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -117.4 | -21 | -165.7 | -61.3 | -72.2 | 0 | 0 | 0 | 115.9 | Y164 A165 | Y164-Y168 AromaticContact CD2-CD2 3.48Å; Y164-Y168 HydrophobicContact CD2-CD2 3.48Å; Y164-Y168 VanDerWaalsContact CD2-CD2 3.48Å; Y164-Y168 AromaticContact CD2-CE2 3.97Å; Y164-Y168 HydrophobicContact CD2-CE2 3.97Å; Y164-Y168 HydrophobicContact CD2-CG 4.48Å; Y164-Y168 AromaticContact CE2-CD2 3.51Å; Y164-Y168 HydrophobicContact CE2-CD2 3.51Å; Y164-Y168 HydrophobicContact CE2-CE2 4.1Å; Y164-Y168 HydrophobicContact CE2-CG 4.15Å; Y164-Y168 HydrophobicContact CG-CD2 4.24Å; Y164-Y168 WeakPolarHBondContact O-CD2 3.44Å; Y164-Y168 PolarHBondContact O-N 2.83Å; A165-Y168 PolarHBondContact O-N 2.53Å |
| 169 | M | 89.3 | Confident | 91.8 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -37.9 | -172.2 | -58.9 | -179.3 | 66.3 | 0 | 0 | 113.5 | T71 R74 Y164 A165 | T71-M169 HydrophobicContact CG2-SD 4.25Å; R74-M169 HydrophobicContact CG-CE 4.24Å; Y164-M169 HydrophobicContact CD1-CG 4.46Å; Y164-M169 HydrophobicContact CD1-SD 4.04Å; Y164-M169 HydrophobicContact CE1-CG 4.03Å; Y164-M169 HydrophobicContact CE1-SD 3.76Å; A165-M169 HydrophobicContact CB-CB 4.33Å; A165-M169 HydrophobicContact CB-SD 4.27Å; A165-M169 CarbonylContact O-C 3.56Å; A165-M169 WeakPolarHBondContact O-CA 3.35Å; A165-M169 WeakPolarHBondContact O-CB 3.31Å; A165-M169 PolarHBondContact O-N 3.05Å |
| 170 | D | 88.9 | Confident | 91.8 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -87.4 | 149.5 | -173.6 | -69.3 | 7.8 | 0 | 0 | 0 | 110.6 | R74 K105 A165 W172 | R74-D170 IonicContact CZ-OD1 2.81Å; R74-D170 VanDerWaalsContact CZ-OD1 3.24Å; R74-D170 IonicContact NH1-OD1 3.67Å; R74-D170 PolarHBondContact NH1-OD1 2.89Å; R74-D170 IonicContact NH2-OD1 2.83Å; R74-D170 PolarHBondContact NH2-OD1 2.88Å; K105-D170 WeakPolarHBondContact CE-OD2 3.35Å; K105-D170 IonicContact NZ-OD2 2.79Å; K105-D170 PolarHBondContact NZ-OD2 3.08Å; A165-D170 PolarHBondContact O-N 3.45Å; D170-W172 PolarHBondContact O-N 3.38Å |
| 171 | T | 86.4 | Confident | 91.8 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 128.2 | 174 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | R173 | T171-R173 PolarHBondContact OG1-NH2 3.49Š|
| 172 | W | 86.7 | Confident | 91.9 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 44% | 0.436 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 140.3 | 176.5 | -79.9 | 58.8 | 0 | 0 | 0 | 111.8 | T166 D170 S176 V177 Y323 | T166-W172 PolarHBondContact O-NE1 3.34Å; T166-W172 VanDerWaalsContact O-NE1 3.12Å; D170-W172 PolarHBondContact O-N 3.38Å; W172-S176 WeakPolarHBondContact CA-OG 3.43Å; W172-V177 HydrophobicContact CZ3-CG2 3.92Å; W172-Y323 WeakPolarHBondContact O-CD2 3.4Å; W172-Y323 WeakPolarHBondContact O-CE2 3.4Å |
| 173 | R | 87.2 | Confident | 92 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | trans | -129.6 | 171 | -178.8 | -63.3 | -179.9 | -169.6 | 116.6 | 10.8 | 109.1 | E101 T171 D175 S176 R321 Y323 | E101-R173 IonicContact OE1-CZ 2.73Å; E101-R173 IonicContact OE1-NH1 3.12Å; E101-R173 PolarHBondContact OE1-NH1 2.93Å; E101-R173 VanDerWaalsContact OE1-NH1 3.16Å; E101-R173 IonicContact OE1-NH2 3.25Å; E101-R173 PolarHBondContact OE1-NH2 3.37Å; E101-R173 IonicContact OE2-NH2 2.67Å; E101-R173 PolarHBondContact OE2-NH2 3.43Å; T171-R173 PolarHBondContact OG1-NH2 3.49Å; R173-D175 WeakPolarHBondContact CB-OD1 3.49Å; R173-D175 PolarHBondContact O-N 3.1Å; R173-D175 VanDerWaalsContact O-N 3.14Å; R173-S176 PolarHBondContact N-OG 3.48Å; R173-S176 WeakPolarHBondContact O-CB 3.17Å; R173-S176 PolarHBondContact O-N 2.9Å; R173-S176 PolarHBondContact O-OG 2.88Å; R173-R321 WeakPolarHBondContact CB-O 3.49Å; R173-Y323 VanDerWaalsContact CA-CE2 3.47Å; R173-Y323 PolarHBondContact O-OH 3.15Å | ||
| 174 | K | 86.9 | Confident | 92 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27.1 | -179.1 | -68.4 | 174.2 | 179 | 163.7 | 0 | 112.6 | R321 E322 Y323 D324 | K174-R321 WeakPolarHBondContact CB-O 3.11Å; K174-R321 WeakPolarHBondContact CG-O 3.42Å; K174-R321 PolarHBondContact N-O 3.27Å; K174-E322 WeakPolarHBondContact CE-O 3.36Å; K174-E322 PolarHBondContact NZ-O 2.8Å; K174-Y323 HydrophobicContact CG-CD1 3.94Å; K174-Y323 HydrophobicContact CG-CE1 3.85Å; K174-Y323 HydrophobicContact CG-CG 4.49Å; K174-D324 IonicContact NZ-OD2 2.84Å; K174-D324 PolarHBondContact NZ-OD2 3.33Å |
| 175 | D | 88.9 | Confident | 92.1 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 4.4 | 179 | 69.5 | -37.2 | 0 | 0 | 0 | 114.5 | R173 V177 V178 M179 R321 | R173-D175 WeakPolarHBondContact CB-OD1 3.49Å; R173-D175 PolarHBondContact O-N 3.1Å; R173-D175 VanDerWaalsContact O-N 3.14Å; D175-V177 VanDerWaalsContact C-N 3.28Å; D175-V177 PolarHBondContact O-N 2.84Å; D175-V178 PolarHBondContact O-N 3.45Å; D175-M179 PolarHBondContact O-N 3.31Å; D175-R321 VanDerWaalsContact OD2-CD 3.28Å; D175-R321 WeakPolarHBondContact OD2-CD 3.34Å; D175-R321 IonicContact OD2-CZ 2.64Å; D175-R321 IonicContact OD2-NE 3.7Å; D175-R321 IonicContact OD2-NH1 3.07Å; D175-R321 PolarHBondContact OD2-NH1 2.94Å |
| 176 | S | 90.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -36.7 | -175.2 | -77.2 | 0 | 0 | 0 | 0 | 114 | W172 R173 M179 L180 | W172-S176 WeakPolarHBondContact CA-OG 3.43Å; R173-S176 PolarHBondContact N-OG 3.48Å; R173-S176 WeakPolarHBondContact O-CB 3.17Å; R173-S176 PolarHBondContact O-N 2.9Å; R173-S176 PolarHBondContact O-OG 2.88Å; S176-M179 PolarHBondContact O-N 3.45Å; S176-L180 PolarHBondContact O-N 3.02Å |
| 177 | V | 93.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 52.3 Ų | 52.3 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.9 | -44.9 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | W172 D175 M179 L180 V181 | W172-V177 HydrophobicContact CZ3-CG2 3.92Å; D175-V177 VanDerWaalsContact C-N 3.28Å; D175-V177 PolarHBondContact O-N 2.84Å; V177-M179 VanDerWaalsContact C-N 3.31Å; V177-M179 PolarHBondContact O-N 2.88Å; V177-L180 PolarHBondContact O-N 3.13Å; V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 3.15Å |
| 178 | V | 94.6 | Very high | 92.7 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | D175 L180 V181 H182 Y297 W298 | D175-V178 PolarHBondContact O-N 3.45Å; V178-L180 PolarHBondContact O-N 3.08Å; V178-V181 PolarHBondContact O-N 3.39Å; V178-H182 VanDerWaalsContact O-CB 3.3Å; V178-H182 WeakPolarHBondContact O-CB 3.3Å; V178-H182 PolarHBondContact O-N 3.42Å; V178-Y297 HydrophobicContact CB-CE1 4.47Å; V178-Y297 HydrophobicContact CG1-CD1 4.27Å; V178-Y297 HydrophobicContact CG1-CE1 4.13Å; V178-Y297 HydrophobicContact CG2-CE1 4.28Å; V178-W298 HydrophobicContact CG1-CH2 4.47Å; V178-W298 HydrophobicContact CG1-CZ2 3.77Å |
| 179 | M | 93.9 | Very high | 92.9 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 23% | 0.232 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 173.4 | -74.9 | -59.8 | -53.5 | 0 | 0 | 112.7 | D175 S176 V177 H182 H183 W298 | D175-M179 PolarHBondContact O-N 3.31Å; S176-M179 PolarHBondContact O-N 3.45Å; V177-M179 VanDerWaalsContact C-N 3.31Å; V177-M179 PolarHBondContact O-N 2.88Å; M179-H182 WeakPolarHBondContact O-CB 3.47Å; M179-H182 PolarHBondContact O-N 2.96Å; M179-H183 PolarHBondContact O-CD2 3.47Å; M179-H183 VanDerWaalsContact O-CD2 3.26Å; M179-H183 VanDerWaalsContact O-CG 3.31Å; M179-H183 PolarHBondContact O-N 3.35Å; M179-W298 HydrophobicContact CG-CZ2 4.35Å; M179-W298 HydrophobicContact SD-CH2 4.11Å; M179-W298 HydrophobicContact SD-CZ2 3.45Å; M179-W298 WeakPolarHBondContact SD-CZ2 3.46Å |
| 180 | L | 95.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 42.3 Ų | 42.3 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 176 | -176.4 | 65.2 | 0 | 0 | 0 | 111.6 | I163 V167 S176 V177 V178 H182 H183 V184 | I163-L180 HydrophobicContact CG2-CD1 3.95Å; V167-L180 HydrophobicContact CG2-CD1 4.15Å; V167-L180 HydrophobicContact CG2-CD2 4.5Å; S176-L180 PolarHBondContact O-N 3.02Å; V177-L180 PolarHBondContact O-N 3.13Å; V178-L180 PolarHBondContact O-N 3.08Å; L180-H182 VanDerWaalsContact C-N 3.27Å; L180-H182 PolarHBondContact O-N 3.19Å; L180-H183 PolarHBondContact O-N 3.44Å; L180-V184 WeakPolarHBondContact O-CG2 3.5Å; L180-V184 PolarHBondContact O-N 2.82Å |
| 181 | V | 96.1 | Very high | 93.6 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | V177 V178 V184 V185 M294 | V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 3.15Å; V178-V181 PolarHBondContact O-N 3.39Å; V181-V184 PolarHBondContact O-N 3.25Å; V181-V185 HydrophobicContact CG1-CG2 4.33Å; V181-V185 WeakPolarHBondContact O-CG2 3.48Å; V181-V185 PolarHBondContact O-N 3.3Å; V181-M294 HydrophobicContact CB-CE 4.31Å; V181-M294 HydrophobicContact CG1-CE 3.58Å |
| 182 | H | 96.3 | Very high | 94 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 174.2 | 167.4 | 80.6 | 0 | 0 | 0 | 112.2 | V178 M179 L180 V184 V185 T186 M294 W298 | V178-H182 VanDerWaalsContact O-CB 3.3Å; V178-H182 WeakPolarHBondContact O-CB 3.3Å; V178-H182 PolarHBondContact O-N 3.42Å; M179-H182 WeakPolarHBondContact O-CB 3.47Å; M179-H182 PolarHBondContact O-N 2.96Å; L180-H182 VanDerWaalsContact C-N 3.27Å; L180-H182 PolarHBondContact O-N 3.19Å; H182-V184 VanDerWaalsContact C-N 3.26Å; H182-V184 PolarHBondContact O-N 2.92Å; H182-V185 PolarHBondContact O-N 3.32Å; H182-V185 VanDerWaalsContact O-N 3.15Å; H182-T186 WeakPolarHBondContact CE1-CG2 3.25Å; H182-T186 WeakPolarHBondContact O-CG2 3.28Å; H182-T186 PolarHBondContact O-N 3.45Å; H182-T186 PolarHBondContact O-OG1 3.05Å; H182-M294 HydrophobicContact CB-SD 3.82Å; H182-W298 HydrophobicContact CB-CH2 3.65Å; H182-W298 HydrophobicContact CB-CZ2 4.35Å; H182-W298 AromaticContact CG-CH2 3.61Å; H182-W298 AromaticContact ND1-CH2 3.72Å; H182-W298 AromaticContact ND1-CZ3 3.96Å |
| 183 | H | 96.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -35.6 | 178.1 | -68.8 | -36.9 | 0 | 0 | 0 | 113 | Y159 I163 M179 L180 T186 L187 | Y159-H183 HydrophobicContact CD1-CB 4.47Å; Y159-H183 AromaticContact CD1-ND1 3.61Å; Y159-H183 AromaticContact CE1-ND1 3.63Å; I163-H183 HydrophobicContact CD1-CB 4.27Å; I163-H183 HydrophobicContact CG1-CB 3.59Å; M179-H183 PolarHBondContact O-CD2 3.47Å; M179-H183 VanDerWaalsContact O-CD2 3.26Å; M179-H183 VanDerWaalsContact O-CG 3.31Å; M179-H183 PolarHBondContact O-N 3.35Å; L180-H183 PolarHBondContact O-N 3.44Å; H183-T186 WeakPolarHBondContact CA-OG1 3.45Å; H183-T186 PolarHBondContact O-OG1 3.31Å; H183-L187 WeakPolarHBondContact O-CB 3.27Å; H183-L187 PolarHBondContact O-N 3.45Å |
| 184 | V | 96.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 34.7 Ų | 34.7 | 44% | 0.442 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.4 | -49.1 | 173.6 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | I163 L180 V181 H182 T186 L187 V188 | I163-V184 HydrophobicContact CD1-CG2 4.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.5Å; L180-V184 PolarHBondContact O-N 2.82Å; V181-V184 PolarHBondContact O-N 3.25Å; H182-V184 VanDerWaalsContact C-N 3.26Å; H182-V184 PolarHBondContact O-N 2.92Å; V184-T186 PolarHBondContact O-N 3.08Å; V184-L187 PolarHBondContact O-N 3.21Å; V184-V188 VanDerWaalsContact O-CG2 3.29Å; V184-V188 WeakPolarHBondContact O-CG2 3.46Å; V184-V188 PolarHBondContact O-N 3.41Å |
| 185 | V | 97.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 179.2 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | V181 H182 V188 L189 L287 I290 M294 | V181-V185 HydrophobicContact CG1-CG2 4.33Å; V181-V185 WeakPolarHBondContact O-CG2 3.48Å; V181-V185 PolarHBondContact O-N 3.3Å; H182-V185 PolarHBondContact O-N 3.32Å; H182-V185 VanDerWaalsContact O-N 3.15Å; V185-V188 PolarHBondContact O-N 3.48Å; V185-L189 HydrophobicContact CG1-CD1 4.14Å; V185-L189 WeakPolarHBondContact O-CG 2.97Å; V185-L189 PolarHBondContact O-N 2.89Å; V185-L287 HydrophobicContact CG1-CD2 4.3Å; V185-I290 HydrophobicContact CG1-CG2 4.25Å; V185-I290 HydrophobicContact CG2-CG2 4.16Å; V185-M294 HydrophobicContact CG2-CE 4.22Å |
| 186 | T | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 178.4 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | Y159 H182 H183 V184 V188 L189 I190 L291 | Y159-T186 WeakPolarHBondContact CD1-OG1 3.37Å; Y159-T186 HydrophobicContact CE1-CG2 4.08Å; Y159-T186 WeakPolarHBondContact CE1-OG1 3.43Å; H182-T186 WeakPolarHBondContact CE1-CG2 3.25Å; H182-T186 WeakPolarHBondContact O-CG2 3.28Å; H182-T186 PolarHBondContact O-N 3.45Å; H182-T186 PolarHBondContact O-OG1 3.05Å; H183-T186 WeakPolarHBondContact CA-OG1 3.45Å; H183-T186 PolarHBondContact O-OG1 3.31Å; V184-T186 PolarHBondContact O-N 3.08Å; T186-V188 VanDerWaalsContact C-N 3.3Å; T186-V188 PolarHBondContact O-N 2.83Å; T186-L189 WeakPolarHBondContact O-CB 3.4Å; T186-L189 PolarHBondContact O-N 3.47Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 3.07Å; T186-L291 HydrophobicContact CG2-CD1 4.08Å |
| 187 | L | 96.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 24% | 0.236 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 175.7 | -174.2 | 64.3 | 0 | 0 | 0 | 111.5 | I163 H183 V184 I190 A191 | I163-L187 HydrophobicContact CD1-CD2 4Å; H183-L187 WeakPolarHBondContact O-CB 3.27Å; H183-L187 PolarHBondContact O-N 3.45Å; V184-L187 PolarHBondContact O-N 3.21Å; L187-I190 PolarHBondContact O-N 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.25Å; L187-A191 PolarHBondContact O-N 3.5Å |
| 188 | V | 96.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 27.5 Ų | 27.5 | 33% | 0.333 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 173.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | V184 V185 T186 A191 S192 F283 L287 | V184-V188 VanDerWaalsContact O-CG2 3.29Å; V184-V188 WeakPolarHBondContact O-CG2 3.46Å; V184-V188 PolarHBondContact O-N 3.41Å; V185-V188 PolarHBondContact O-N 3.48Å; T186-V188 VanDerWaalsContact C-N 3.3Å; T186-V188 PolarHBondContact O-N 2.83Å; V188-A191 PolarHBondContact O-N 2.83Å; V188-S192 VanDerWaalsContact O-CB 3.25Å; V188-S192 WeakPolarHBondContact O-CB 3.19Å; V188-S192 PolarHBondContact O-N 2.82Å; V188-S192 PolarHBondContact O-OG 3.18Å; V188-F283 HydrophobicContact CG1-CE1 4.44Å; V188-F283 HydrophobicContact CG1-CZ 3.72Å; V188-L287 HydrophobicContact CB-CD1 4.47Å; V188-L287 HydrophobicContact CG1-CD1 3.65Å |
| 189 | L | 97.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 173.7 | -82.8 | 166.2 | 0 | 0 | 0 | 111.7 | V185 T186 S192 S193 F284 L287 L288 L291 | V185-L189 HydrophobicContact CG1-CD1 4.14Å; V185-L189 WeakPolarHBondContact O-CG 2.97Å; V185-L189 PolarHBondContact O-N 2.89Å; T186-L189 WeakPolarHBondContact O-CB 3.4Å; T186-L189 PolarHBondContact O-N 3.47Å; L189-S192 PolarHBondContact O-OG 2.9Å; L189-S193 VanDerWaalsContact O-CB 3.25Å; L189-S193 WeakPolarHBondContact O-CB 3.49Å; L189-S193 PolarHBondContact O-N 3.14Å; L189-S193 PolarHBondContact O-OG 2.98Å; L189-F284 HydrophobicContact CD2-CD2 3.96Å; L189-F284 HydrophobicContact CD2-CE2 3.63Å; L189-F284 HydrophobicContact CD2-CZ 4.17Å; L189-L287 HydrophobicContact CD1-CB 4.24Å; L189-L287 HydrophobicContact CD2-CB 3.49Å; L189-L287 VanDerWaalsContact CD2-CB 3.49Å; L189-L287 HydrophobicContact CD2-CD1 4.16Å; L189-L287 HydrophobicContact CG-CB 3.74Å; L189-L287 HydrophobicContact CG-CD1 4.25Å; L189-L288 HydrophobicContact CD1-CD2 4.23Å; L189-L288 HydrophobicContact CD2-CD2 3.85Å; L189-L288 HydrophobicContact CD2-CG 3.98Å; L189-L291 HydrophobicContact CD1-CB 4.43Å; L189-L291 HydrophobicContact CD1-CD2 4.04Å |
| 190 | I | 96.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.067 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 178.6 | -66.8 | 169.4 | 0 | 0 | 0 | 110.6 | Y152 Q155 Y159 T186 L187 S193 Y194 F206 | Y152-I190 HydrophobicContact CD1-CG2 3.75Å; Y152-I190 HydrophobicContact CE1-CG2 4.1Å; Y152-I190 WeakPolarHBondContact CE1-O 3.31Å; Q155-I190 HydrophobicContact CB-CD1 4.36Å; Y159-I190 HydrophobicContact CD2-CD1 4.17Å; Y159-I190 HydrophobicContact CG-CD1 4.35Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 3.07Å; L187-I190 PolarHBondContact O-N 3.23Å; I190-S193 PolarHBondContact O-OG 2.68Å; I190-Y194 WeakPolarHBondContact O-CB 3.31Å; I190-Y194 PolarHBondContact O-N 2.87Å; I190-F206 HydrophobicContact CD1-CE1 3.77Å; I190-F206 HydrophobicContact CD1-CZ 4.12Å; I190-F206 HydrophobicContact CG1-CE1 3.61Å; I190-F206 HydrophobicContact CG1-CZ 3.76Å; I190-F206 HydrophobicContact CG2-CZ 4.34Å |
| 191 | A | 95.1 | Very high | 95.8 | Very high | 43 Ų | 43 | 22.6 Ų | 22.6 | 36% | 0.355 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.4 | -45.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L187 V188 Y194 A195 | L187-A191 WeakPolarHBondContact O-CB 3.25Å; L187-A191 PolarHBondContact O-N 3.5Å; V188-A191 PolarHBondContact O-N 2.83Å; A191-Y194 PolarHBondContact O-N 3.43Å; A191-A195 VanDerWaalsContact O-CB 3.23Å; A191-A195 WeakPolarHBondContact O-CB 3.48Å; A191-A195 PolarHBondContact O-N 3.38Å |
| 192 | S | 94.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 19.4 Ų | 19.4 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.7 | -39.7 | -179.7 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | V188 L189 Y194 A195 F196 | V188-S192 VanDerWaalsContact O-CB 3.25Å; V188-S192 WeakPolarHBondContact O-CB 3.19Å; V188-S192 PolarHBondContact O-N 2.82Å; V188-S192 PolarHBondContact O-OG 3.18Å; L189-S192 PolarHBondContact O-OG 2.9Å; S192-Y194 VanDerWaalsContact C-N 3.3Å; S192-Y194 PolarHBondContact O-N 2.91Å; S192-A195 PolarHBondContact O-N 3.41Å; S192-F196 WeakPolarHBondContact O-CB 3.48Å; S192-F196 WeakPolarHBondContact O-CD2 3.47Å; S192-F196 WeakPolarHBondContact O-CG 3.09Å; S192-F196 PolarHBondContact O-N 2.84Å |
| 193 | S | 96.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66 | -34.8 | 175.3 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | Y152 L189 I190 R197 Y198 | Y152-S193 WeakPolarHBondContact CE1-OG 3.3Å; Y152-S193 PolarHBondContact OH-OG 3.14Å; L189-S193 VanDerWaalsContact O-CB 3.25Å; L189-S193 WeakPolarHBondContact O-CB 3.49Å; L189-S193 PolarHBondContact O-N 3.14Å; L189-S193 PolarHBondContact O-OG 2.98Å; I190-S193 PolarHBondContact O-OG 2.68Å; S193-R197 CarbonylContact O-C 3.41Å; S193-R197 PolarHBondContact O-N 3.16Å; S193-Y198 CarbonylContact O-C 3.55Å; S193-Y198 WeakPolarHBondContact O-CA 3.5Å; S193-Y198 PolarHBondContact O-N 3.44Å |
| 194 | Y | 95.2 | Very high | 95.9 | Very high | 26 Ų | 26 | 18.6 Ų | 18.6 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70 | -45.2 | 173.8 | -166.1 | -91.6 | 0 | 0 | 0 | 112.1 | L55 E59 V144 A149 Y152 I190 A191 S192 R197 | L55-Y194 HydrophobicContact CD1-CD1 3.46Å; L55-Y194 VanDerWaalsContact CD1-CD1 3.46Å; L55-Y194 HydrophobicContact CD1-CE1 4.05Å; L55-Y194 HydrophobicContact CD1-CG 4.47Å; E59-Y194 PolarHBondContact OE1-OH 3Å; E59-Y194 VanDerWaalsContact OE1-OH 3.11Å; V144-Y194 HydrophobicContact CB-CE2 4.1Å; V144-Y194 HydrophobicContact CG1-CE2 3.86Å; V144-Y194 HydrophobicContact CG2-CD2 4.43Å; V144-Y194 HydrophobicContact CG2-CE2 3.96Å; A149-Y194 HydrophobicContact CB-CE2 4.18Å; Y152-Y194 AromaticContact CD1-CD2 3.6Å; Y152-Y194 HydrophobicContact CD1-CD2 3.6Å; Y152-Y194 HydrophobicContact CD1-CG 4.11Å; Y152-Y194 HydrophobicContact CD2-CD2 4.35Å; Y152-Y194 HydrophobicContact CE1-CD2 4.22Å; Y152-Y194 AromaticContact CG-CD2 3.67Å; Y152-Y194 HydrophobicContact CG-CD2 3.67Å; Y152-Y194 HydrophobicContact CG-CE2 4.35Å; I190-Y194 WeakPolarHBondContact O-CB 3.31Å; I190-Y194 PolarHBondContact O-N 2.87Å; A191-Y194 PolarHBondContact O-N 3.43Å; S192-Y194 VanDerWaalsContact C-N 3.3Å; S192-Y194 PolarHBondContact O-N 2.91Å; Y194-R197 WeakPolarHBondContact O-CD 3.29Å; Y194-R197 PolarHBondContact O-N 2.95Å; Y194-R197 PolarHBondContact O-NH1 3.39Å |
| 195 | A | 93.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 16 Ų | 16 | 6% | 0.058 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A53 H54 A191 S192 R197 | A53-A195 HydrophobicContact CB-CB 4.18Å; H54-A195 PolarHBondContact N-O 3.07Å; A191-A195 VanDerWaalsContact O-CB 3.23Å; A191-A195 WeakPolarHBondContact O-CB 3.48Å; A191-A195 PolarHBondContact O-N 3.38Å; S192-A195 PolarHBondContact O-N 3.41Å; A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 PolarHBondContact O-N 3.29Å |
| 196 | F | 93.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 5.7 | 179.3 | -52.1 | -38.3 | 0 | 0 | 0 | 113.7 | L49 H52 A53 W138 S192 Y198 Y280 F283 | L49-F196 HydrophobicContact CD1-CE1 4.02Å; L49-F196 HydrophobicContact CD1-CZ 4Å; H52-F196 HydrophobicContact CB-CD1 4.24Å; A53-F196 HydrophobicContact CB-CE1 4.11Å; W138-F196 WeakPolarHBondContact CZ2-O 3.38Å; W138-F196 PolarHBondContact NE1-O 3.22Å; S192-F196 WeakPolarHBondContact O-CB 3.48Å; S192-F196 WeakPolarHBondContact O-CD2 3.47Å; S192-F196 WeakPolarHBondContact O-CG 3.09Å; S192-F196 PolarHBondContact O-N 2.84Å; F196-Y198 VanDerWaalsContact C-N 3.32Å; F196-Y198 HydrophobicContact CB-CD2 4.1Å; F196-Y198 HydrophobicContact CB-CE1 4.3Å; F196-Y198 HydrophobicContact CB-CE2 3.77Å; F196-Y198 HydrophobicContact CB-CG 4.47Å; F196-Y198 HydrophobicContact CD2-CE2 4.19Å; F196-Y198 HydrophobicContact CG-CE2 4.43Å; F196-Y198 WeakPolarHBondContact O-CE1 3.41Å; F196-Y198 PolarHBondContact O-N 2.92Å; F196-Y280 AromaticContact CD1-CD2 3.91Å; F196-Y280 HydrophobicContact CD1-CD2 3.91Å; F196-Y280 HydrophobicContact CD1-CE2 4.28Å; F196-Y280 HydrophobicContact CD2-CD2 4.14Å; F196-Y280 HydrophobicContact CD2-CG 4.28Å; F196-Y280 AromaticContact CE1-CD2 3.36Å; F196-Y280 HydrophobicContact CE1-CD2 3.36Å; F196-Y280 AromaticContact CE1-CE2 3.45Å; F196-Y280 HydrophobicContact CE1-CE2 3.45Å; F196-Y280 VanDerWaalsContact CE1-CE2 3.45Å; F196-Y280 HydrophobicContact CE1-CG 4.17Å; F196-Y280 HydrophobicContact CE2-CD1 4.29Å; F196-Y280 AromaticContact CE2-CD2 3.62Å; F196-Y280 HydrophobicContact CE2-CD2 3.62Å; F196-Y280 HydrophobicContact CE2-CE2 4.35Å; F196-Y280 AromaticContact CE2-CG 3.58Å; F196-Y280 HydrophobicContact CE2-CG 3.58Å; F196-Y280 HydrophobicContact CG-CD2 4.28Å; F196-Y280 HydrophobicContact CZ-CD1 4.08Å; F196-Y280 AromaticContact CZ-CD2 3.2Å; F196-Y280 HydrophobicContact CZ-CD2 3.2Å; F196-Y280 HydrophobicContact CZ-CE1 4.3Å; F196-Y280 AromaticContact CZ-CE2 3.5Å; F196-Y280 HydrophobicContact CZ-CE2 3.5Å; F196-Y280 VanDerWaalsContact CZ-CE2 3.5Å; F196-Y280 AromaticContact CZ-CG 3.52Å; F196-Y280 HydrophobicContact CZ-CG 3.52Å; F196-F283 HydrophobicContact CE2-CD1 4.35Å; F196-F283 HydrophobicContact CE2-CE1 4.43Å |
| 197 | R | 94.6 | Very high | 96 | Very high | 27 Ų | 27 | 15.6 Ų | 15.6 | 10% | 0.102 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 30 | 179.8 | -49.7 | -58.2 | -174.7 | -153.5 | 7.7 | 114.7 | H54 M142 S193 Y194 A195 H199 | H54-R197 VanDerWaalsContact CB-NH2 3.28Å; H54-R197 PolarHBondContact O-NH1 3.11Å; H54-R197 PolarHBondContact O-NH2 3.3Å; M142-R197 HydrophobicContact CG-CB 3.77Å; M142-R197 HydrophobicContact CG-CG 3.95Å; M142-R197 WeakPolarHBondContact O-CD 3.35Å; M142-R197 PolarHBondContact O-NE 3.12Å; M142-R197 HydrophobicContact SD-CB 4.35Å; S193-R197 CarbonylContact O-C 3.41Å; S193-R197 PolarHBondContact O-N 3.16Å; Y194-R197 WeakPolarHBondContact O-CD 3.29Å; Y194-R197 PolarHBondContact O-N 2.95Å; Y194-R197 PolarHBondContact O-NH1 3.39Å; A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 PolarHBondContact O-N 3.29Å; R197-H199 PolarHBondContact O-N 3.16Å; R197-H199 VanDerWaalsContact O-N 3.16Å; R197-H199 PolarHBondContact O-ND1 3.49Å |
| 198 | Y | 95.4 | Very high | 96 | Very high | 6 Ų | 6 | 13.4 Ų | 13.4 | 2% | 0.024 | 8% | 0.078 | C | C | . | . | trans | -83.4 | 34.5 | 165.5 | -51.5 | -27.5 | 0 | 0 | 0 | 112.5 | F135 W138 S193 F196 N200 V201 G202 I278 P279 F284 | F135-Y198 HydrophobicContact CD1-CD1 4.39Å; F135-Y198 AromaticContact CE1-CD1 3.65Å; F135-Y198 HydrophobicContact CE1-CD1 3.65Å; F135-Y198 AromaticContact CE1-CE1 3.96Å; F135-Y198 HydrophobicContact CE1-CE1 3.96Å; F135-Y198 HydrophobicContact CE1-CG 4.19Å; W138-Y198 AromaticContact CE2-CE1 3.68Å; W138-Y198 AromaticContact CZ2-CE1 3.97Å; W138-Y198 HydrophobicContact CZ2-CE1 3.97Å; W138-Y198 AromaticContact NE1-CD1 3.54Å; W138-Y198 AromaticContact NE1-CE1 3.35Å; W138-Y198 VanDerWaalsContact NE1-CE1 3.35Å; S193-Y198 CarbonylContact O-C 3.55Å; S193-Y198 WeakPolarHBondContact O-CA 3.5Å; S193-Y198 PolarHBondContact O-N 3.44Å; F196-Y198 VanDerWaalsContact C-N 3.32Å; F196-Y198 HydrophobicContact CB-CD2 4.1Å; F196-Y198 HydrophobicContact CB-CE1 4.3Å; F196-Y198 HydrophobicContact CB-CE2 3.77Å; F196-Y198 HydrophobicContact CB-CG 4.47Å; F196-Y198 HydrophobicContact CD2-CE2 4.19Å; F196-Y198 HydrophobicContact CG-CE2 4.43Å; F196-Y198 WeakPolarHBondContact O-CE1 3.41Å; F196-Y198 PolarHBondContact O-N 2.92Å; Y198-N200 VanDerWaalsContact C-N 3.29Å; Y198-N200 PolarHBondContact O-N 3.41Å; Y198-V201 WeakPolarHBondContact O-CB 3.31Å; Y198-V201 PolarHBondContact O-N 3.36Å; Y198-V201 VanDerWaalsContact O-N 3.11Å; Y198-G202 PolarHBondContact O-N 3.14Å; Y198-I278 HydrophobicContact CE1-CD1 3.69Å; Y198-I278 HydrophobicContact CE1-CG1 3.92Å; Y198-I278 VanDerWaalsContact OH-CG1 3.22Å; Y198-I278 WeakPolarHBondContact OH-CG1 3.48Å; Y198-P279 WeakPolarHBondContact OH-CD 3.22Å; Y198-P279 WeakPolarHBondContact OH-CG 3.37Å; Y198-P279 PolarHBondContact OH-O 3.22Å; Y198-F284 HydrophobicContact CD2-CD1 4.01Å; Y198-F284 HydrophobicContact CD2-CD2 4.21Å; Y198-F284 HydrophobicContact CD2-CE1 4.15Å; Y198-F284 HydrophobicContact CD2-CE2 4.38Å; Y198-F284 HydrophobicContact CD2-CG 4.03Å; Y198-F284 HydrophobicContact CD2-CZ 4.34Å; Y198-F284 HydrophobicContact CE2-CG 4.36Å | ||
| 199 | H | 94.9 | Very high | 96 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | -170 | 52.8 | -84.5 | 0 | 0 | 0 | 111.9 | V144 I148 Y152 R197 V201 G202 L203 | V144-H199 HydrophobicContact CG1-CB 4.06Å; V144-H199 HydrophobicContact CG2-CB 4.48Å; I148-H199 HydrophobicContact CG2-CB 3.92Å; Y152-H199 HydrophobicContact CE2-CB 3.94Å; Y152-H199 WeakPolarHBondContact CE2-O 3.31Å; Y152-H199 VanDerWaalsContact OH-CA 3.23Å; Y152-H199 WeakPolarHBondContact OH-CA 3.43Å; Y152-H199 PolarHBondContact OH-O 3.48Å; R197-H199 PolarHBondContact O-N 3.16Å; R197-H199 VanDerWaalsContact O-N 3.16Å; R197-H199 PolarHBondContact O-ND1 3.49Å; H199-V201 VanDerWaalsContact C-N 3.35Å; H199-V201 PolarHBondContact O-N 3.37Å; H199-G202 PolarHBondContact O-N 2.9Å; H199-L203 PolarHBondContact O-N 3.3Å |
| 200 | N | 95.5 | Very high | 96 | Very high | 25 Ų | 25 | 10.6 Ų | 10.6 | 13% | 0.134 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59 | -42.4 | 175 | -63.6 | -23.9 | 0 | 0 | 0 | 112.6 | F127 V134 Y198 L203 L204 | F127-N200 HydrophobicContact CD1-CB 4.18Å; F127-N200 HydrophobicContact CE1-CB 4.05Å; F127-N200 HydrophobicContact CE2-CB 4.39Å; F127-N200 HydrophobicContact CG-CB 4.43Å; F127-N200 HydrophobicContact CZ-CB 4.18Å; V134-N200 HydrophobicContact CB-CB 3.99Å; V134-N200 HydrophobicContact CG1-CB 4.09Å; V134-N200 PolarHBondContact O-ND2 3.45Å; Y198-N200 VanDerWaalsContact C-N 3.29Å; Y198-N200 PolarHBondContact O-N 3.41Å; N200-L203 PolarHBondContact O-N 2.96Å; N200-L204 PolarHBondContact O-N 3.37Å |
| 201 | V | 96.4 | Very high | 96 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | V134 F135 Y198 H199 L203 L204 V205 V263 T267 F284 | V134-V201 HydrophobicContact CB-CG2 3.85Å; V134-V201 HydrophobicContact CG1-CG2 4.34Å; V134-V201 HydrophobicContact CG2-CG2 3.67Å; F135-V201 HydrophobicContact CE1-CG2 4.3Å; F135-V201 HydrophobicContact CE2-CG2 4Å; F135-V201 HydrophobicContact CZ-CG2 3.69Å; Y198-V201 WeakPolarHBondContact O-CB 3.31Å; Y198-V201 PolarHBondContact O-N 3.36Å; Y198-V201 VanDerWaalsContact O-N 3.11Å; H199-V201 VanDerWaalsContact C-N 3.35Å; H199-V201 PolarHBondContact O-N 3.37Å; V201-L203 VanDerWaalsContact C-N 3.25Å; V201-L203 PolarHBondContact O-N 3.31Å; V201-L204 WeakPolarHBondContact O-CB 3.35Å; V201-L204 PolarHBondContact O-N 3.06Å; V201-L204 VanDerWaalsContact O-N 3.09Å; V201-V205 HydrophobicContact CG1-CG2 4.46Å; V201-V205 WeakPolarHBondContact O-CG2 3.4Å; V201-V205 PolarHBondContact O-N 2.98Å; V201-V263 HydrophobicContact CG1-CG1 3.79Å; V201-T267 HydrophobicContact CB-CG2 4.48Å; V201-T267 HydrophobicContact CG1-CG2 3.61Å; V201-T267 HydrophobicContact CG2-CG2 4.04Å; V201-F284 HydrophobicContact CG1-CE1 4.04Å; V201-F284 HydrophobicContact CG1-CZ 4.3Å |
| 202 | G | 96.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 8.5 Ų | 8.5 | 5% | 0.052 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.2 | -28.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y152 Y198 H199 V205 F206 | Y152-G202 WeakPolarHBondContact OH-CA 3.33Å; Y152-G202 PolarHBondContact OH-N 2.9Å; Y198-G202 PolarHBondContact O-N 3.14Å; H199-G202 PolarHBondContact O-N 2.9Å; G202-V205 WeakPolarHBondContact O-CB 3.28Å; G202-V205 PolarHBondContact O-N 3.37Å; G202-V205 VanDerWaalsContact O-N 3.16Å; G202-F206 WeakPolarHBondContact O-CD2 3.4Å; G202-F206 WeakPolarHBondContact O-CG 3.32Å; G202-F206 PolarHBondContact O-N 3.36Å |
| 203 | L | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 172 | -169 | 66.7 | 0 | 0 | 0 | 112.1 | C116 L119 L120 F127 I148 A151 H199 N200 V201 V205 F206 F207 | C116-L203 HydrophobicContact CB-CD1 4.15Å; L119-L203 HydrophobicContact CB-CD2 4.01Å; L119-L203 HydrophobicContact CD1-CD1 4.13Å; L119-L203 HydrophobicContact CD1-CD2 4.17Å; L120-L203 HydrophobicContact CD2-CD2 3.86Å; L120-L203 HydrophobicContact CD2-CG 4.14Å; L120-L203 HydrophobicContact CG-CD2 4.26Å; L120-L203 HydrophobicContact CG-CG 4.35Å; F127-L203 HydrophobicContact CE2-CB 4.35Å; F127-L203 HydrophobicContact CE2-CD2 3.94Å; F127-L203 HydrophobicContact CZ-CD2 3.84Å; I148-L203 HydrophobicContact CG1-CD2 4.39Å; A151-L203 HydrophobicContact CB-CD1 4.17Å; H199-L203 PolarHBondContact O-N 3.3Å; N200-L203 PolarHBondContact O-N 2.96Å; V201-L203 VanDerWaalsContact C-N 3.25Å; V201-L203 PolarHBondContact O-N 3.31Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-F206 HydrophobicContact CD1-CD2 4.41Å; L203-F206 PolarHBondContact O-N 3.26Å; L203-F207 PolarHBondContact O-N 2.83Å; L203-F207 VanDerWaalsContact O-N 3.1Å |
| 204 | L | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 170.7 | -68.2 | 177.3 | 0 | 0 | 0 | 111.3 | L120 F127 F128 V134 N200 V201 F207 L208 V263 | L120-L204 HydrophobicContact CD1-CD2 4.22Å; L120-L204 HydrophobicContact CD2-CD2 4Å; F127-L204 HydrophobicContact CD2-CD1 4.31Å; F127-L204 HydrophobicContact CD2-CD2 3.92Å; F127-L204 HydrophobicContact CD2-CG 3.9Å; F127-L204 HydrophobicContact CE2-CD2 4.48Å; F127-L204 HydrophobicContact CE2-CG 4.42Å; F128-L204 HydrophobicContact CB-CD2 4.33Å; F128-L204 HydrophobicContact CD2-CD2 4.02Å; V134-L204 HydrophobicContact CG1-CD1 3.64Å; N200-L204 PolarHBondContact O-N 3.37Å; V201-L204 WeakPolarHBondContact O-CB 3.35Å; V201-L204 PolarHBondContact O-N 3.06Å; V201-L204 VanDerWaalsContact O-N 3.09Å; L204-F207 PolarHBondContact O-N 3.2Å; L204-L208 WeakPolarHBondContact O-CB 3.24Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.44Å; L204-V263 HydrophobicContact CB-CG2 3.83Å; L204-V263 HydrophobicContact CD1-CG2 4.42Å |
| 205 | V | 97.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 10.8 Ų | 10.8 | 12% | 0.115 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 177.7 | -180 | 0 | 0 | 0 | 0 | 111 | V201 G202 L203 F207 L208 H209 F259 V263 L288 L291 | V201-V205 HydrophobicContact CG1-CG2 4.46Å; V201-V205 WeakPolarHBondContact O-CG2 3.4Å; V201-V205 PolarHBondContact O-N 2.98Å; G202-V205 WeakPolarHBondContact O-CB 3.28Å; G202-V205 PolarHBondContact O-N 3.37Å; G202-V205 VanDerWaalsContact O-N 3.16Å; L203-V205 VanDerWaalsContact C-N 3.34Å; V205-F207 PolarHBondContact O-N 3.02Å; V205-L208 PolarHBondContact O-N 3.49Å; V205-H209 WeakPolarHBondContact O-CB 3.16Å; V205-H209 PolarHBondContact O-N 3.01Å; V205-H209 PolarHBondContact O-ND1 2.87Å; V205-F259 HydrophobicContact CG2-CE2 4.04Å; V205-V263 HydrophobicContact CG2-CG1 3.93Å; V205-V263 HydrophobicContact CG2-CG2 4.25Å; V205-L288 HydrophobicContact CG2-CD2 4.25Å; V205-L291 HydrophobicContact CG1-CD2 4.17Å |
| 206 | F | 97.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 11.8 Ų | 11.8 | 5% | 0.048 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -56.5 | -51.6 | 177.4 | -62.6 | -28.6 | 0 | 0 | 0 | 111.9 | Y152 Q155 I190 G202 L203 L208 H209 D210 | Y152-F206 HydrophobicContact CD1-CE2 4.47Å; Y152-F206 HydrophobicContact CD1-CZ 4.36Å; Y152-F206 AromaticContact CD2-CE2 3.9Å; Y152-F206 HydrophobicContact CD2-CE2 3.9Å; Y152-F206 HydrophobicContact CE1-CE2 4.41Å; Y152-F206 HydrophobicContact CE1-CZ 4.24Å; Y152-F206 AromaticContact CE2-CE2 3.85Å; Y152-F206 HydrophobicContact CE2-CE2 3.85Å; Y152-F206 HydrophobicContact CE2-CZ 4.46Å; Y152-F206 HydrophobicContact CG-CE2 4.22Å; Q155-F206 HydrophobicContact CB-CD1 4.44Å; Q155-F206 HydrophobicContact CB-CE1 3.96Å; Q155-F206 HydrophobicContact CB-CE2 4.19Å; Q155-F206 HydrophobicContact CB-CZ 3.82Å; Q155-F206 HydrophobicContact CG-CD1 4.06Å; Q155-F206 HydrophobicContact CG-CD2 4Å; Q155-F206 HydrophobicContact CG-CE1 4.07Å; Q155-F206 HydrophobicContact CG-CE2 4.01Å; Q155-F206 HydrophobicContact CG-CG 4.04Å; Q155-F206 HydrophobicContact CG-CZ 4.05Å; I190-F206 HydrophobicContact CD1-CE1 3.77Å; I190-F206 HydrophobicContact CD1-CZ 4.12Å; I190-F206 HydrophobicContact CG1-CE1 3.61Å; I190-F206 HydrophobicContact CG1-CZ 3.76Å; I190-F206 HydrophobicContact CG2-CZ 4.34Å; G202-F206 WeakPolarHBondContact O-CD2 3.4Å; G202-F206 WeakPolarHBondContact O-CG 3.32Å; G202-F206 PolarHBondContact O-N 3.36Å; L203-F206 HydrophobicContact CD1-CD2 4.41Å; L203-F206 PolarHBondContact O-N 3.26Å; F206-L208 VanDerWaalsContact C-N 3.34Å; F206-L208 PolarHBondContact O-N 3.41Å; F206-H209 PolarHBondContact O-N 2.74Å; F206-D210 WeakPolarHBondContact O-CB 3.36Å; F206-D210 VanDerWaalsContact O-CG 3.31Å; F206-D210 PolarHBondContact O-N 2.98Å |
| 207 | F | 97.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 11.9 Ų | 11.9 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | -178.8 | 175.3 | -100.6 | 0 | 0 | 0 | 113 | W113 C116 A117 L120 L121 F128 L203 L204 V205 F254 | W113-F207 VanDerWaalsContact CD1-O 3.32Å; W113-F207 AromaticContact CE2-CE2 3.72Å; W113-F207 AromaticContact CZ2-CE2 3.71Å; W113-F207 HydrophobicContact CZ2-CE2 3.71Å; W113-F207 HydrophobicContact CZ2-CZ 4.22Å; W113-F207 AromaticContact NE1-CD2 3.39Å; W113-F207 AromaticContact NE1-CE2 3.44Å; W113-F207 PolarHBondContact NE1-O 3.48Å; W113-F207 VanDerWaalsContact NE1-O 3.16Å; C116-F207 HydrophobicContact CB-CB 4.22Å; A117-F207 HydrophobicContact CB-CD2 4.05Å; A117-F207 HydrophobicContact CB-CE2 3.67Å; L120-F207 HydrophobicContact CD1-CB 3.31Å; L120-F207 HydrophobicContact CD1-CD1 3.8Å; L120-F207 HydrophobicContact CD1-CD2 3.92Å; L120-F207 HydrophobicContact CD1-CG 3.39Å; L121-F207 HydrophobicContact CD1-CZ 4.35Å; F128-F207 HydrophobicContact CD2-CD1 4.33Å; F128-F207 HydrophobicContact CD2-CE1 4.24Å; F128-F207 AromaticContact CE2-CD1 3.87Å; F128-F207 HydrophobicContact CE2-CD1 3.87Å; F128-F207 AromaticContact CE2-CE1 3.47Å; F128-F207 HydrophobicContact CE2-CE1 3.47Å; F128-F207 VanDerWaalsContact CE2-CE1 3.47Å; F128-F207 HydrophobicContact CE2-CZ 4.41Å; F128-F207 AromaticContact CZ-CE1 3.97Å; F128-F207 HydrophobicContact CZ-CE1 3.97Å; L203-F207 PolarHBondContact O-N 2.83Å; L203-F207 VanDerWaalsContact O-N 3.1Å; L204-F207 PolarHBondContact O-N 3.2Å; V205-F207 PolarHBondContact O-N 3.02Å; F207-F254 HydrophobicContact CE1-CE1 4.02Å; F207-F254 HydrophobicContact CZ-CE1 4.35Å |
| 208 | L | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.6 | -31.2 | -177.5 | -65.9 | 175.9 | 0 | 0 | 0 | 112.8 | L204 V205 F206 F254 W258 F259 V263 | L204-L208 WeakPolarHBondContact O-CB 3.24Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.44Å; V205-L208 PolarHBondContact O-N 3.49Å; F206-L208 VanDerWaalsContact C-N 3.34Å; F206-L208 PolarHBondContact O-N 3.41Å; L208-F254 HydrophobicContact CD2-CD1 3.8Å; L208-F254 VanDerWaalsContact O-CB 3.24Å; L208-F254 WeakPolarHBondContact O-CB 3.11Å; L208-W258 HydrophobicContact CD1-CB 4.49Å; L208-W258 HydrophobicContact CD2-CB 3.84Å; L208-W258 HydrophobicContact CD2-CD2 4.5Å; L208-W258 HydrophobicContact CD2-CE3 3.78Å; L208-F259 HydrophobicContact CD1-CB 4.05Å; L208-F259 HydrophobicContact CD1-CD2 4.45Å; L208-V263 HydrophobicContact CD1-CG2 3.96Å |
| 209 | H | 97.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.032 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -87.3 | -45.9 | -177.3 | -71 | 74.9 | 0 | 0 | 0 | 112.3 | V205 F206 V211 S212 R255 F259 N295 | V205-H209 WeakPolarHBondContact O-CB 3.16Å; V205-H209 PolarHBondContact O-N 3.01Å; V205-H209 PolarHBondContact O-ND1 2.87Å; F206-H209 PolarHBondContact O-N 2.74Å; H209-V211 VanDerWaalsContact C-N 3.32Å; H209-V211 PolarHBondContact O-N 2.92Å; H209-S212 PolarHBondContact O-N 3.49Å; H209-S212 PolarHBondContact O-OG 2.92Å; H209-R255 PolarHBondContact O-NE 3.35Å; H209-R255 PolarHBondContact O-NH2 3.02Å; H209-F259 AromaticContact CE1-CD2 3.53Å; H209-F259 AromaticContact CE1-CE2 3.68Å; H209-F259 AromaticContact CE1-CG 3.79Å; H209-N295 PolarHBondContact NE2-ND2 3.24Å |
| 210 | D | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.7 | -29.8 | -168.4 | -72.1 | 12.4 | 0 | 0 | 0 | 113.6 | W113 Q155 F206 S212 D213 V214 | W113-D210 HydrophobicContact CB-CB 3.99Å; W113-D210 HydrophobicContact CG-CB 4.43Å; Q155-D210 PolarHBondContact NE2-OD2 3.06Å; F206-D210 WeakPolarHBondContact O-CB 3.36Å; F206-D210 VanDerWaalsContact O-CG 3.31Å; F206-D210 PolarHBondContact O-N 2.98Å; D210-S212 PolarHBondContact O-N 3.33Å; D210-D213 PolarHBondContact O-N 3.48Å; D210-V214 WeakPolarHBondContact O-CG2 3.38Å; D210-V214 PolarHBondContact O-N 2.87Å |
| 211 | V | 97.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 16 Ų | 16 | 7% | 0.067 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56 | -39.3 | -179.1 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | W113 H209 D213 V214 Q215 F254 | W113-V211 HydrophobicContact CD2-CB 4.45Å; W113-V211 HydrophobicContact CG-CB 4.42Å; W113-V211 HydrophobicContact CZ2-CB 4.34Å; W113-V211 HydrophobicContact CZ2-CG2 3.97Å; H209-V211 VanDerWaalsContact C-N 3.32Å; H209-V211 PolarHBondContact O-N 2.92Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-V214 PolarHBondContact O-N 3.47Å; V211-Q215 WeakPolarHBondContact O-CG 3.48Å; V211-Q215 PolarHBondContact O-N 2.96Å; V211-F254 HydrophobicContact CG1-CB 3.98Å; V211-F254 HydrophobicContact CG1-CD1 3.64Å; V211-F254 HydrophobicContact CG1-CD2 3.94Å; V211-F254 HydrophobicContact CG1-CE1 4.03Å; V211-F254 HydrophobicContact CG1-CE2 4.31Å; V211-F254 HydrophobicContact CG1-CG 3.59Å; V211-F254 HydrophobicContact CG1-CZ 4.36Å |
| 212 | S | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.2 | -31.5 | 179.5 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | H209 D210 Q215 L216 F247 R255 | H209-S212 PolarHBondContact O-N 3.49Å; H209-S212 PolarHBondContact O-OG 2.92Å; D210-S212 PolarHBondContact O-N 3.33Å; S212-Q215 PolarHBondContact O-N 3.45Å; S212-L216 WeakPolarHBondContact O-CB 3.36Å; S212-L216 PolarHBondContact O-N 3.38Å; S212-F247 WeakPolarHBondContact O-CD2 3.37Å; S212-F247 WeakPolarHBondContact O-CE2 3.44Å; S212-R255 PolarHBondContact OG-NE 3.29Å; S212-R255 PolarHBondContact OG-NH2 3.46Å; S212-R255 VanDerWaalsContact OG-NH2 3.14Å |
| 213 | D | 95.6 | Very high | 96 | Very high | 23 Ų | 23 | 17.6 Ų | 17.6 | 12% | 0.123 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -73.8 | -35.7 | 177.3 | -64.2 | -43 | 0 | 0 | 0 | 111.3 | Y109 D210 V211 Q215 L216 E217 R255 | Y109-D213 HydrophobicContact CD1-CB 4.39Å; Y109-D213 HydrophobicContact CD2-CB 3.64Å; Y109-D213 HydrophobicContact CE2-CB 3.8Å; Y109-D213 HydrophobicContact CG-CB 3.97Å; D210-D213 PolarHBondContact O-N 3.48Å; V211-D213 VanDerWaalsContact C-N 3.34Å; D213-Q215 VanDerWaalsContact C-N 3.34Å; D213-Q215 PolarHBondContact O-N 2.92Å; D213-L216 PolarHBondContact O-N 3.46Å; D213-E217 WeakPolarHBondContact O-CG 3.17Å; D213-E217 PolarHBondContact O-N 2.98Å; D213-R255 IonicContact OD1-NH2 3.32Å; D213-R255 PolarHBondContact OD1-NH2 2.88Å; D213-R255 IonicContact OD2-NH2 3.91Å; D213-R255 PolarHBondContact OD2-NH2 3.16Å |
| 214 | V | 97.2 | Very high | 95.7 | Very high | 20 Ų | 20 | 18.4 Ų | 18.4 | 12% | 0.121 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 168.8 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | L106 Y109 L110 W113 D210 V211 L216 F218 | L106-V214 HydrophobicContact CD1-CG1 3.91Å; L106-V214 WeakPolarHBondContact CD1-O 3.31Å; Y109-V214 VanDerWaalsContact C-CG2 3.45Å; L110-V214 HydrophobicContact CB-CG1 4.38Å; L110-V214 HydrophobicContact CB-CG2 4.35Å; L110-V214 HydrophobicContact CD1-CG1 3.94Å; W113-V214 HydrophobicContact CB-CG2 4.31Å; D210-V214 WeakPolarHBondContact O-CG2 3.38Å; D210-V214 PolarHBondContact O-N 2.87Å; V211-V214 PolarHBondContact O-N 3.47Å; V214-L216 PolarHBondContact O-N 3.45Å; V214-F218 WeakPolarHBondContact O-CB 3.28Å; V214-F218 PolarHBondContact O-N 2.93Å |
| 215 | Q | 96.5 | Very high | 95.5 | Very high | 44 Ų | 44 | 19.6 Ų | 19.6 | 21% | 0.206 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | -179.6 | -68.1 | -171.9 | 19.6 | 0 | 0 | 112.2 | V211 S212 D213 T219 S246 F247 C250 | V211-Q215 WeakPolarHBondContact O-CG 3.48Å; V211-Q215 PolarHBondContact O-N 2.96Å; S212-Q215 PolarHBondContact O-N 3.45Å; D213-Q215 VanDerWaalsContact C-N 3.34Å; D213-Q215 PolarHBondContact O-N 2.92Å; Q215-T219 VanDerWaalsContact O-CB 3.3Å; Q215-T219 WeakPolarHBondContact O-CB 3.41Å; Q215-T219 PolarHBondContact O-N 3.47Å; Q215-T219 PolarHBondContact O-OG1 3.44Å; Q215-S246 PolarHBondContact OE1-O 2.86Å; Q215-S246 PolarHBondContact OE1-OG 3.44Å; Q215-F247 HydrophobicContact CB-CB 4.37Å; Q215-F247 HydrophobicContact CB-CD2 4.43Å; Q215-C250 PolarHBondContact NE2-SG 3.36Å; Q215-C250 VanDerWaalsContact OE1-CB 3.25Å |
| 216 | L | 94.8 | Very high | 95 | Very high | 28 Ų | 28 | 20 Ų | 20 | 15% | 0.147 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.7 | -52.8 | 178.4 | -178.9 | 62.5 | 0 | 0 | 0 | 111.5 | S212 D213 V214 T219 K220 F247 | S212-L216 WeakPolarHBondContact O-CB 3.36Å; S212-L216 PolarHBondContact O-N 3.38Å; D213-L216 PolarHBondContact O-N 3.46Å; V214-L216 PolarHBondContact O-N 3.45Å; L216-T219 PolarHBondContact O-N 2.98Å; L216-K220 WeakPolarHBondContact O-CG 3.33Å; L216-K220 PolarHBondContact O-N 3.01Å; L216-F247 HydrophobicContact CB-CD2 3.94Å; L216-F247 HydrophobicContact CB-CE2 3.71Å; L216-F247 HydrophobicContact CB-CZ 4.29Å; L216-F247 HydrophobicContact CD1-CD1 4.38Å; L216-F247 HydrophobicContact CD1-CD2 4.46Å; L216-F247 HydrophobicContact CD1-CE1 3.96Å; L216-F247 HydrophobicContact CD1-CE2 4.08Å; L216-F247 HydrophobicContact CD1-CZ 3.81Å; L216-F247 HydrophobicContact CD2-CE2 4.43Å; L216-F247 HydrophobicContact CD2-CZ 4.37Å; L216-F247 HydrophobicContact CG-CE2 4.28Å; L216-F247 HydrophobicContact CG-CZ 4.37Å |
| 217 | E | 96.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.6 | -34.6 | -176.5 | -62.4 | -56 | 146.3 | 0 | 0 | 111.8 | S102 K105 L106 D213 T219 K220 L221 | S102-E217 WeakPolarHBondContact CA-OE2 3.46Å; S102-E217 WeakPolarHBondContact CB-OE2 3.5Å; S102-E217 PolarHBondContact OG-OE2 2.89Å; K105-E217 HydrophobicContact CB-CG 3.82Å; L106-E217 HydrophobicContact CB-CB 3.87Å; L106-E217 HydrophobicContact CD1-CB 4.47Å; D213-E217 WeakPolarHBondContact O-CG 3.17Å; D213-E217 PolarHBondContact O-N 2.98Å; E217-T219 PolarHBondContact O-N 2.85Å; E217-K220 PolarHBondContact O-N 3.48Å; E217-K220 IonicContact OE1-NZ 2.99Å; E217-K220 PolarHBondContact OE1-NZ 3.26Å; E217-K220 WeakPolarHBondContact OE2-CD 3.26Å; E217-K220 IonicContact OE2-NZ 3.45Å; E217-L221 WeakPolarHBondContact O-CG 3.32Å; E217-L221 PolarHBondContact O-N 3.14Å |
| 218 | F | 96.2 | Very high | 93.6 | Very high | 98 Ų | 98 | 24.1 Ų | 24.1 | 43% | 0.43 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 170.9 | -178.4 | -103.5 | 0 | 0 | 0 | 112.2 | L106 V214 L221 N222 V239 | L106-F218 HydrophobicContact CD1-CB 3.97Å; L106-F218 HydrophobicContact CD2-CB 4.32Å; L106-F218 HydrophobicContact CD2-CD2 4.21Å; V214-F218 WeakPolarHBondContact O-CB 3.28Å; V214-F218 PolarHBondContact O-N 2.93Å; F218-L221 PolarHBondContact O-N 3.28Å; F218-N222 VanDerWaalsContact CE1-ND2 3.33Å; F218-N222 WeakPolarHBondContact CE1-ND2 3.03Å; F218-N222 VanDerWaalsContact CZ-ND2 3.34Å; F218-N222 WeakPolarHBondContact CZ-ND2 3.18Å; F218-N222 PolarHBondContact O-N 2.96Å; F218-N222 VanDerWaalsContact O-N 3.14Å; F218-N222 PolarHBondContact O-ND2 3.19Å; F218-V239 HydrophobicContact CE1-CG1 3.62Å; F218-V239 HydrophobicContact CZ-CG1 4.05Å |
| 219 | T | 94.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 26 Ų | 26 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | Q215 L216 E217 L221 N222 I223 A240 G243 | Q215-T219 VanDerWaalsContact O-CB 3.3Å; Q215-T219 WeakPolarHBondContact O-CB 3.41Å; Q215-T219 PolarHBondContact O-N 3.47Å; Q215-T219 PolarHBondContact O-OG1 3.44Å; L216-T219 PolarHBondContact O-N 2.98Å; E217-T219 PolarHBondContact O-N 2.85Å; T219-L221 PolarHBondContact O-N 3.48Å; T219-N222 PolarHBondContact O-N 3.34Å; T219-N222 VanDerWaalsContact O-N 3.17Å; T219-I223 HydrophobicContact CG2-CD1 4.2Å; T219-I223 WeakPolarHBondContact O-CG1 3.36Å; T219-I223 PolarHBondContact O-N 2.94Å; T219-A240 WeakPolarHBondContact CG2-O 3.41Å; T219-G243 VanDerWaalsContact OG1-C 3.3Å; T219-G243 WeakPolarHBondContact OG1-CA 3.13Å; T219-G243 PolarHBondContact OG1-O 2.93Å |
| 220 | K | 93.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 176.1 | -75.7 | 174.5 | -178.4 | 171.8 | 0 | 112.4 | L216 E217 N222 I223 Y224 | L216-K220 WeakPolarHBondContact O-CG 3.33Å; L216-K220 PolarHBondContact O-N 3.01Å; E217-K220 PolarHBondContact O-N 3.48Å; E217-K220 IonicContact OE1-NZ 2.99Å; E217-K220 PolarHBondContact OE1-NZ 3.26Å; E217-K220 WeakPolarHBondContact OE2-CD 3.26Å; E217-K220 IonicContact OE2-NZ 3.45Å; K220-N222 VanDerWaalsContact C-N 3.32Å; K220-N222 PolarHBondContact O-N 3.4Å; K220-I223 WeakPolarHBondContact O-CB 3.17Å; K220-I223 PolarHBondContact O-N 2.83Å; K220-I223 VanDerWaalsContact O-N 3.11Å; K220-Y224 HydrophobicContact CB-CE2 4.17Å; K220-Y224 WeakPolarHBondContact O-CD1 3.45Å; K220-Y224 WeakPolarHBondContact O-CD2 3.5Å; K220-Y224 PolarHBondContact O-N 3.49Å |
| 221 | L | 94.6 | Very high | 91.1 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 176.8 | -69.2 | 177.9 | 0 | 0 | 0 | 111.5 | L99 A103 L106 E217 F218 T219 I223 Y224 F225 | L99-L221 HydrophobicContact CD1-CD2 3.91Å; L99-L221 HydrophobicContact CG-CD2 4.02Å; A103-L221 HydrophobicContact CB-CD1 4.36Å; A103-L221 HydrophobicContact CB-CD2 4.17Å; L106-L221 HydrophobicContact CB-CD1 4.4Å; L106-L221 HydrophobicContact CD2-CD1 3.44Å; L106-L221 VanDerWaalsContact CD2-CD1 3.44Å; E217-L221 WeakPolarHBondContact O-CG 3.32Å; E217-L221 PolarHBondContact O-N 3.14Å; F218-L221 PolarHBondContact O-N 3.28Å; T219-L221 PolarHBondContact O-N 3.48Å; L221-I223 VanDerWaalsContact C-N 3.28Å; L221-I223 PolarHBondContact O-N 3.43Å; L221-Y224 HydrophobicContact CD2-CD2 4.04Å; L221-Y224 HydrophobicContact CD2-CE2 4.38Å; L221-Y224 WeakPolarHBondContact O-CB 3.45Å; L221-Y224 PolarHBondContact O-N 3.45Å; L221-Y224 VanDerWaalsContact O-N 3.11Å; L221-F225 HydrophobicContact CB-CD2 4.48Å; L221-F225 WeakPolarHBondContact O-CD2 3.21Å; L221-F225 PolarHBondContact O-N 3.2Å |
| 222 | N | 94.4 | Very high | 90.5 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -35.1 | 176 | -78.6 | -78.3 | 0 | 0 | 0 | 112.4 | F218 T219 K220 F225 K226 H236 V239 A240 | F218-N222 VanDerWaalsContact CE1-ND2 3.33Å; F218-N222 WeakPolarHBondContact CE1-ND2 3.03Å; F218-N222 VanDerWaalsContact CZ-ND2 3.34Å; F218-N222 WeakPolarHBondContact CZ-ND2 3.18Å; F218-N222 PolarHBondContact O-N 2.96Å; F218-N222 VanDerWaalsContact O-N 3.14Å; F218-N222 PolarHBondContact O-ND2 3.19Å; T219-N222 PolarHBondContact O-N 3.34Å; T219-N222 VanDerWaalsContact O-N 3.17Å; K220-N222 VanDerWaalsContact C-N 3.32Å; K220-N222 PolarHBondContact O-N 3.4Å; N222-F225 PolarHBondContact O-N 2.86Å; N222-K226 PolarHBondContact O-N 2.91Å; N222-H236 PolarHBondContact OD1-ND1 2.84Å; N222-V239 HydrophobicContact CB-CG1 4.23Å; N222-V239 VanDerWaalsContact CG-CG1 3.48Å; N222-V239 WeakPolarHBondContact OD1-CG1 3.33Å; N222-A240 HydrophobicContact CB-CB 4.19Å |
| 223 | I | 91.6 | Very high | 90.2 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 172 | -67.4 | 168.1 | 0 | 0 | 0 | 110.7 | T219 K220 L221 F225 K226 A240 L317 | T219-I223 HydrophobicContact CG2-CD1 4.2Å; T219-I223 WeakPolarHBondContact O-CG1 3.36Å; T219-I223 PolarHBondContact O-N 2.94Å; K220-I223 WeakPolarHBondContact O-CB 3.17Å; K220-I223 PolarHBondContact O-N 2.83Å; K220-I223 VanDerWaalsContact O-N 3.11Å; L221-I223 VanDerWaalsContact C-N 3.28Å; L221-I223 PolarHBondContact O-N 3.43Å; I223-F225 VanDerWaalsContact C-N 3.34Å; I223-F225 PolarHBondContact O-N 3.29Å; I223-K226 HydrophobicContact CG2-CD 4.48Å; I223-K226 WeakPolarHBondContact O-CD 3.23Å; I223-K226 WeakPolarHBondContact O-CG 3.41Å; I223-K226 PolarHBondContact O-N 3.47Å; I223-A240 HydrophobicContact CG1-CB 3.69Å; I223-L317 HydrophobicContact CD1-CB 3.83Å; I223-L317 HydrophobicContact CD1-CD1 4.43Å; I223-L317 HydrophobicContact CG1-CD1 4.47Å |
| 224 | Y | 90.9 | Very high | 89.8 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177.9 | -55.5 | -22.4 | 0 | 0 | 0 | 111.8 | L91 D95 R98 L99 K220 L221 | L91-Y224 WeakPolarHBondContact CD2-O 3.49Å; D95-Y224 HydrophobicContact CB-CD1 4Å; D95-Y224 HydrophobicContact CB-CG 4.07Å; D95-Y224 WeakPolarHBondContact OD1-CD1 3.5Å; R98-Y224 HydrophobicContact CB-CE2 4.14Å; L99-Y224 HydrophobicContact CB-CD2 4.23Å; K220-Y224 HydrophobicContact CB-CE2 4.17Å; K220-Y224 WeakPolarHBondContact O-CD1 3.45Å; K220-Y224 WeakPolarHBondContact O-CD2 3.5Å; K220-Y224 PolarHBondContact O-N 3.49Å; L221-Y224 HydrophobicContact CD2-CD2 4.04Å; L221-Y224 HydrophobicContact CD2-CE2 4.38Å; L221-Y224 WeakPolarHBondContact O-CB 3.45Å; L221-Y224 PolarHBondContact O-N 3.45Å; L221-Y224 VanDerWaalsContact O-N 3.11Å |
| 225 | F | 91.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 11% | 0.114 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.5 | -11.2 | -178.3 | -75.3 | -68.8 | 0 | 0 | 0 | 114.6 | L85 C89 L91 L99 L221 N222 I223 A227 R228 | L85-F225 HydrophobicContact CD2-CZ 4.23Å; L85-F225 HydrophobicContact CG-CZ 4.46Å; C89-F225 HydrophobicContact CB-CE1 4.04Å; L91-F225 HydrophobicContact CD1-CD1 4.49Å; L91-F225 HydrophobicContact CD1-CE1 4.03Å; L91-F225 HydrophobicContact CD1-CZ 4.32Å; L91-F225 HydrophobicContact CD2-CD1 3.82Å; L91-F225 HydrophobicContact CD2-CE1 4.08Å; L91-F225 HydrophobicContact CG-CE1 4.43Å; L99-F225 HydrophobicContact CD1-CD2 4.48Å; L99-F225 HydrophobicContact CD1-CE1 4.39Å; L99-F225 HydrophobicContact CD1-CE2 3.5Å; L99-F225 HydrophobicContact CD1-CZ 3.44Å; L99-F225 VanDerWaalsContact CD1-CZ 3.44Å; L221-F225 HydrophobicContact CB-CD2 4.48Å; L221-F225 WeakPolarHBondContact O-CD2 3.21Å; L221-F225 PolarHBondContact O-N 3.2Å; N222-F225 PolarHBondContact O-N 2.86Å; I223-F225 VanDerWaalsContact C-N 3.34Å; I223-F225 PolarHBondContact O-N 3.29Å; F225-A227 VanDerWaalsContact C-N 3.3Å; F225-A227 PolarHBondContact O-N 3.42Å; F225-R228 WeakPolarHBondContact O-CB 3.2Å |
| 226 | K | 87.4 | Confident | 89.1 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -33.5 | -179.9 | 86.3 | -168.3 | 172.3 | 175 | 0 | 112.6 | N222 I223 Y232 H233 H236 | N222-K226 PolarHBondContact O-N 2.91Å; I223-K226 HydrophobicContact CG2-CD 4.48Å; I223-K226 WeakPolarHBondContact O-CD 3.23Å; I223-K226 WeakPolarHBondContact O-CG 3.41Å; I223-K226 PolarHBondContact O-N 3.47Å; K226-Y232 HydrophobicContact CB-CE2 4.17Å; K226-Y232 HydrophobicContact CD-CE2 4.13Å; K226-Y232 HydrophobicContact CG-CD2 4.43Å; K226-Y232 HydrophobicContact CG-CE2 3.87Å; K226-Y232 CarbonylContact O-C 3.44Å; K226-Y232 WeakPolarHBondContact O-CA 3.25Å; K226-H233 PolarHBondContact O-N 3.41Å; K226-H236 HydrophobicContact CB-CB 4.11Å |
| 227 | A | 82.4 | Confident | 88.8 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 21% | 0.207 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 64.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F225 | F225-A227 VanDerWaalsContact C-N 3.3Å; F225-A227 PolarHBondContact O-N 3.42Å |
| 228 | R | 84.4 | Confident | 88.4 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 30% | 0.302 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.4 | -172.8 | -177.6 | -179 | 63.9 | 176 | 0.9 | 111.9 | C89 L91 F225 G230 T231 H233 | C89-R228 HydrophobicContact CB-CG 3.9Å; C89-R228 VanDerWaalsContact O-CD 3.32Å; C89-R228 WeakPolarHBondContact O-CD 3.43Å; C89-R228 WeakPolarHBondContact O-CG 3.12Å; C89-R228 PolarHBondContact SG-NH1 2.79Å; C89-R228 VanDerWaalsContact SG-NH1 3.43Å; L91-R228 HydrophobicContact CD2-CB 4.1Å; L91-R228 HydrophobicContact CD2-CG 3.99Å; F225-R228 WeakPolarHBondContact O-CB 3.2Å; R228-G230 VanDerWaalsContact C-N 3.27Å; R228-G230 PolarHBondContact O-N 3.24Å; R228-T231 PolarHBondContact N-O 3.25Å; R228-T231 PolarHBondContact O-N 3.48Å; R228-T231 VanDerWaalsContact O-N 3.15Å; R228-T231 VanDerWaalsContact O-O 3.06Å; R228-H233 PolarHBondContact NH2-NE2 3.3Å; R228-H233 PolarHBondContact O-CE1 2.88Å |
| 229 | G | 78.4 | Confident | 88.3 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 26.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R90 T231 | R90-G229 PolarHBondContact O-N 3.28Å; G229-T231 PolarHBondContact O-N 2.84Å |
| 230 | G | 77.3 | Confident | 88.2 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 90% | 0.897 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R228 | R228-G230 VanDerWaalsContact C-N 3.27Å; R228-G230 PolarHBondContact O-N 3.24Å |
| 231 | T | 83.1 | Confident | 88 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.9 | -177.8 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | R228 G229 H233 | R228-T231 PolarHBondContact N-O 3.25Å; R228-T231 PolarHBondContact O-N 3.48Å; R228-T231 VanDerWaalsContact O-N 3.15Å; R228-T231 VanDerWaalsContact O-O 3.06Å; G229-T231 PolarHBondContact O-N 2.84Å; T231-H233 PolarHBondContact O-N 3.48Å; T231-H233 PolarHBondContact O-ND1 3.33Å |
| 232 | Y | 84.9 | Confident | 87.9 | Confident | 134 Ų | 134 | 63.3 Ų | 63.3 | 53% | 0.525 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119 | 175 | -171.5 | -98.2 | 0 | 0 | 0 | 111.5 | K226 R234 | K226-Y232 HydrophobicContact CB-CE2 4.17Å; K226-Y232 HydrophobicContact CD-CE2 4.13Å; K226-Y232 HydrophobicContact CG-CD2 4.43Å; K226-Y232 HydrophobicContact CG-CE2 3.87Å; K226-Y232 CarbonylContact O-C 3.44Å; K226-Y232 WeakPolarHBondContact O-CA 3.25Å; Y232-R234 HydrophobicContact CD1-CG 4.21Å; Y232-R234 HydrophobicContact CE1-CG 4.3Å |
| 233 | H | 88.4 | Confident | 87.8 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | trans | -95.4 | 102.6 | 179.7 | -66.1 | 67.5 | 0 | 0 | 0 | 109.9 | K226 R228 T231 L235 H236 G237 | K226-H233 PolarHBondContact O-N 3.41Å; R228-H233 PolarHBondContact NH2-NE2 3.3Å; R228-H233 PolarHBondContact O-CE1 2.88Å; T231-H233 PolarHBondContact O-N 3.48Å; T231-H233 PolarHBondContact O-ND1 3.33Å; H233-L235 VanDerWaalsContact C-N 3.28Å; H233-L235 PolarHBondContact O-N 3.17Å; H233-H236 HydrophobicContact CB-CB 4.5Å; H233-H236 PolarHBondContact O-N 2.68Å; H233-G237 PolarHBondContact O-N 2.83Å | ||
| 234 | R | 87.6 | Confident | 87.8 | Confident | 211 Ų | 211 | 62.8 Ų | 62.8 | 80% | 0.796 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.8 | -35.9 | -174.8 | -66.7 | -175 | 179.8 | -174.3 | -0 | 113.9 | Y232 G237 L238 | Y232-R234 HydrophobicContact CD1-CG 4.21Å; Y232-R234 HydrophobicContact CE1-CG 4.3Å; R234-G237 PolarHBondContact O-N 3.29Å; R234-L238 PolarHBondContact O-N 2.62Å |
| 235 | L | 90.3 | Very high | 87.9 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.2 | -49 | 178.8 | -179.4 | 63.5 | 0 | 0 | 0 | 111.6 | H233 G237 L238 V239 | H233-L235 VanDerWaalsContact C-N 3.28Å; H233-L235 PolarHBondContact O-N 3.17Å; L235-G237 VanDerWaalsContact C-N 3.29Å; L235-G237 PolarHBondContact O-N 3.24Å; L235-L238 PolarHBondContact O-N 2.87Å; L235-V239 HydrophobicContact CD1-CG2 4.31Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CG2 3.32Å; L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 3.04Å |
| 236 | H | 89.9 | Confident | 88 | Confident | 47 Ų | 47 | 69 Ų | 69 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 176.9 | -75.7 | -60.5 | 0 | 0 | 0 | 112.1 | N222 K226 H233 A240 | N222-H236 PolarHBondContact OD1-ND1 2.84Å; K226-H236 HydrophobicContact CB-CB 4.11Å; H233-H236 HydrophobicContact CB-CB 4.5Å; H233-H236 PolarHBondContact O-N 2.68Å; H236-A240 VanDerWaalsContact O-CB 3.24Å; H236-A240 WeakPolarHBondContact O-CB 3.5Å; H236-A240 PolarHBondContact O-N 3.35Å |
| 237 | G | 87.3 | Confident | 88.4 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | H233 R234 L235 A240 N241 | H233-G237 PolarHBondContact O-N 2.83Å; R234-G237 PolarHBondContact O-N 3.29Å; L235-G237 VanDerWaalsContact C-N 3.29Å; L235-G237 PolarHBondContact O-N 3.24Å; G237-A240 PolarHBondContact O-N 2.84Å; G237-N241 PolarHBondContact O-N 2.9Å; G237-N241 VanDerWaalsContact O-N 3.08Å |
| 238 | L | 89.3 | Confident | 89 | Confident | 96 Ų | 96 | 69 Ų | 69 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 176.2 | 177.7 | 62.4 | 0 | 0 | 0 | 111.6 | R234 L235 A240 N241 L242 | R234-L238 PolarHBondContact O-N 2.62Å; L235-L238 PolarHBondContact O-N 2.87Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.26Å; L238-N241 PolarHBondContact O-N 3.35Å; L238-L242 HydrophobicContact CD1-CD1 4.15Å; L238-L242 HydrophobicContact CD1-CG 4.2Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 WeakPolarHBondContact O-CG 3.2Å; L238-L242 PolarHBondContact O-N 3.44Å |
| 239 | V | 93.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | F218 N222 L235 G243 | F218-V239 HydrophobicContact CE1-CG1 3.62Å; F218-V239 HydrophobicContact CZ-CG1 4.05Å; N222-V239 HydrophobicContact CB-CG1 4.23Å; N222-V239 VanDerWaalsContact CG-CG1 3.48Å; N222-V239 WeakPolarHBondContact OD1-CG1 3.33Å; L235-V239 HydrophobicContact CD1-CG2 4.31Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CG2 3.32Å; L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 3.04Å; V239-G243 WeakPolarHBondContact O-CA 3.45Å; V239-G243 PolarHBondContact O-N 3.46Å |
| 240 | A | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | T219 N222 I223 H236 G237 L238 G243 C244 | T219-A240 WeakPolarHBondContact CG2-O 3.41Å; N222-A240 HydrophobicContact CB-CB 4.19Å; I223-A240 HydrophobicContact CG1-CB 3.69Å; H236-A240 VanDerWaalsContact O-CB 3.24Å; H236-A240 WeakPolarHBondContact O-CB 3.5Å; H236-A240 PolarHBondContact O-N 3.35Å; G237-A240 PolarHBondContact O-N 2.84Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.26Å; A240-G243 PolarHBondContact O-N 2.91Å; A240-C244 WeakPolarHBondContact O-CB 3.16Å; A240-C244 PolarHBondContact O-N 2.99Å |
| 241 | N | 89.8 | Confident | 91.4 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 177.3 | -71.1 | -13.5 | 0 | 0 | 0 | 111.7 | G237 L238 G243 C244 L245 L317 | G237-N241 PolarHBondContact O-N 2.9Å; G237-N241 VanDerWaalsContact O-N 3.08Å; L238-N241 PolarHBondContact O-N 3.35Å; N241-G243 VanDerWaalsContact C-N 3.32Å; N241-G243 PolarHBondContact O-N 3.04Å; N241-C244 WeakPolarHBondContact O-CB 3.2Å; N241-C244 PolarHBondContact O-N 3.48Å; N241-L245 PolarHBondContact O-N 3.27Å; N241-L317 WeakPolarHBondContact OD1-CD1 3.45Å |
| 242 | L | 92.1 | Very high | 92 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 53% | 0.529 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 176.3 | -66.9 | 177.3 | 0 | 0 | 0 | 111.4 | L238 C244 L245 S246 | L238-L242 HydrophobicContact CD1-CD1 4.15Å; L238-L242 HydrophobicContact CD1-CG 4.2Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 WeakPolarHBondContact O-CG 3.2Å; L238-L242 PolarHBondContact O-N 3.44Å; L242-C244 VanDerWaalsContact C-N 3.34Å; L242-C244 PolarHBondContact O-N 2.96Å; L242-L245 PolarHBondContact O-N 2.96Å; L242-S246 VanDerWaalsContact O-CB 3.29Å; L242-S246 WeakPolarHBondContact O-CB 3.24Å; L242-S246 PolarHBondContact O-N 2.98Å |
| 243 | G | 92.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T219 V239 A240 N241 S246 F247 | T219-G243 VanDerWaalsContact OG1-C 3.3Å; T219-G243 WeakPolarHBondContact OG1-CA 3.13Å; T219-G243 PolarHBondContact OG1-O 2.93Å; V239-G243 WeakPolarHBondContact O-CA 3.45Å; V239-G243 PolarHBondContact O-N 3.46Å; A240-G243 PolarHBondContact O-N 2.91Å; N241-G243 VanDerWaalsContact C-N 3.32Å; N241-G243 PolarHBondContact O-N 3.04Å; G243-S246 PolarHBondContact O-N 3.23Å; G243-F247 VanDerWaalsContact O-CB 3.22Å; G243-F247 WeakPolarHBondContact O-CB 3.2Å; G243-F247 PolarHBondContact O-N 2.8Å |
| 244 | C | 91.4 | Very high | 93 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | A240 N241 L242 F247 C248 F305 L317 | A240-C244 WeakPolarHBondContact O-CB 3.16Å; A240-C244 PolarHBondContact O-N 2.99Å; N241-C244 WeakPolarHBondContact O-CB 3.2Å; N241-C244 PolarHBondContact O-N 3.48Å; L242-C244 VanDerWaalsContact C-N 3.34Å; L242-C244 PolarHBondContact O-N 2.96Å; C244-F247 PolarHBondContact O-N 3.06Å; C244-C248 PolarHBondContact O-N 2.93Å; C244-F305 VanDerWaalsContact SG-CE1 3.52Å; C244-L317 HydrophobicContact CB-CD2 3.96Å |
| 245 | L | 92 | Very high | 93.5 | Very high | 120 Ų | 120 | 52.3 Ų | 52.3 | 63% | 0.628 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 177.7 | -64.5 | 176.7 | 0 | 0 | 0 | 111 | N241 L242 F247 C248 F249 | N241-L245 PolarHBondContact O-N 3.27Å; L242-L245 PolarHBondContact O-N 2.96Å; L245-F247 VanDerWaalsContact C-N 3.33Å; L245-F247 PolarHBondContact O-N 2.67Å; L245-C248 PolarHBondContact O-N 2.97Å; L245-F249 PolarHBondContact O-N 3.49Å; L245-F249 VanDerWaalsContact O-N 3.1Å |
| 246 | S | 94.2 | Very high | 93.8 | Very high | 52 Ų | 52 | 47.6 Ų | 47.6 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | Q215 L242 G243 C248 F249 C250 | Q215-S246 PolarHBondContact OE1-O 2.86Å; Q215-S246 PolarHBondContact OE1-OG 3.44Å; L242-S246 VanDerWaalsContact O-CB 3.29Å; L242-S246 WeakPolarHBondContact O-CB 3.24Å; L242-S246 PolarHBondContact O-N 2.98Å; G243-S246 PolarHBondContact O-N 3.23Å; S246-C248 PolarHBondContact O-N 3.36Å; S246-F249 PolarHBondContact O-N 3.34Å; S246-C250 WeakPolarHBondContact O-CB 3.46Å; S246-C250 PolarHBondContact O-N 3.01Å |
| 247 | F | 95.2 | Very high | 94.1 | Very high | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 179 | 168.8 | -111.4 | 0 | 0 | 0 | 112 | S212 Q215 L216 G243 C244 L245 C250 W251 I302 | S212-F247 WeakPolarHBondContact O-CD2 3.37Å; S212-F247 WeakPolarHBondContact O-CE2 3.44Å; Q215-F247 HydrophobicContact CB-CB 4.37Å; Q215-F247 HydrophobicContact CB-CD2 4.43Å; L216-F247 HydrophobicContact CB-CD2 3.94Å; L216-F247 HydrophobicContact CB-CE2 3.71Å; L216-F247 HydrophobicContact CB-CZ 4.29Å; L216-F247 HydrophobicContact CD1-CD1 4.38Å; L216-F247 HydrophobicContact CD1-CD2 4.46Å; L216-F247 HydrophobicContact CD1-CE1 3.96Å; L216-F247 HydrophobicContact CD1-CE2 4.08Å; L216-F247 HydrophobicContact CD1-CZ 3.81Å; L216-F247 HydrophobicContact CD2-CE2 4.43Å; L216-F247 HydrophobicContact CD2-CZ 4.37Å; L216-F247 HydrophobicContact CG-CE2 4.28Å; L216-F247 HydrophobicContact CG-CZ 4.37Å; G243-F247 VanDerWaalsContact O-CB 3.22Å; G243-F247 WeakPolarHBondContact O-CB 3.2Å; G243-F247 PolarHBondContact O-N 2.8Å; C244-F247 PolarHBondContact O-N 3.06Å; L245-F247 VanDerWaalsContact C-N 3.33Å; L245-F247 PolarHBondContact O-N 2.67Å; F247-C250 PolarHBondContact O-N 3.39Å; F247-W251 AromaticContact CE2-CE3 3.68Å; F247-W251 HydrophobicContact CE2-CE3 3.68Å; F247-W251 HydrophobicContact CE2-CZ3 4.2Å; F247-W251 AromaticContact CZ-CE3 3.7Å; F247-W251 HydrophobicContact CZ-CE3 3.7Å; F247-W251 HydrophobicContact CZ-CZ3 4.12Å; F247-W251 WeakPolarHBondContact O-CB 3.22Å; F247-W251 PolarHBondContact O-N 2.9Å; F247-I302 HydrophobicContact CD1-CG2 4.45Å; F247-I302 HydrophobicContact CE1-CD1 3.52Å; F247-I302 HydrophobicContact CE1-CG1 3.74Å; F247-I302 HydrophobicContact CE1-CG2 4.21Å; F247-I302 HydrophobicContact CZ-CD1 3.52Å; F247-I302 HydrophobicContact CZ-CG1 4.16Å |
| 248 | C | 94.9 | Very high | 94.5 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 176.8 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | C244 L245 S246 W251 F252 I302 | C244-C248 PolarHBondContact O-N 2.93Å; L245-C248 PolarHBondContact O-N 2.97Å; S246-C248 PolarHBondContact O-N 3.36Å; C248-W251 PolarHBondContact O-N 3.38Å; C248-F252 PolarHBondContact O-N 3.21Å; C248-I302 HydrophobicContact CB-CG2 3.88Å |
| 249 | F | 95.6 | Very high | 94.8 | Very high | 125 Ų | 125 | 46.7 Ų | 46.7 | 55% | 0.548 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.9 | 174.8 | -99.1 | 0 | 0 | 0 | 112.1 | L245 S246 W251 F252 W253 | L245-F249 PolarHBondContact O-N 3.49Å; L245-F249 VanDerWaalsContact O-N 3.1Å; S246-F249 PolarHBondContact O-N 3.34Å; F249-W251 PolarHBondContact O-N 3.28Å; F249-F252 PolarHBondContact O-N 2.71Å; F249-W253 HydrophobicContact CE1-CB 4.38Å; F249-W253 HydrophobicContact CE2-CE3 4.22Å; F249-W253 HydrophobicContact CZ-CB 4.37Å; F249-W253 HydrophobicContact CZ-CD2 4.2Å; F249-W253 HydrophobicContact CZ-CE3 4.08Å; F249-W253 HydrophobicContact CZ-CG 4.34Å; F249-W253 WeakPolarHBondContact O-CB 3.38Å; F249-W253 PolarHBondContact O-N 2.82Å |
| 250 | C | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 180 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | Q215 S246 F247 F252 W253 F254 | Q215-C250 PolarHBondContact NE2-SG 3.36Å; Q215-C250 VanDerWaalsContact OE1-CB 3.25Å; S246-C250 WeakPolarHBondContact O-CB 3.46Å; S246-C250 PolarHBondContact O-N 3.01Å; F247-C250 PolarHBondContact O-N 3.39Å; C250-F252 PolarHBondContact O-N 2.91Å; C250-W253 PolarHBondContact O-N 3.09Å; C250-F254 WeakPolarHBondContact O-CB 3.27Å; C250-F254 WeakPolarHBondContact O-CD2 3.08Å; C250-F254 PolarHBondContact O-N 3.42Å |
| 251 | W | 97.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 5% | 0.045 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -58.7 | -49.9 | 176.2 | -169.1 | -74.8 | 0 | 0 | 0 | 111.7 | F247 C248 F249 R255 L256 N295 W298 F299 I302 | F247-W251 AromaticContact CE2-CE3 3.68Å; F247-W251 HydrophobicContact CE2-CE3 3.68Å; F247-W251 HydrophobicContact CE2-CZ3 4.2Å; F247-W251 AromaticContact CZ-CE3 3.7Å; F247-W251 HydrophobicContact CZ-CE3 3.7Å; F247-W251 HydrophobicContact CZ-CZ3 4.12Å; F247-W251 WeakPolarHBondContact O-CB 3.22Å; F247-W251 PolarHBondContact O-N 2.9Å; C248-W251 PolarHBondContact O-N 3.38Å; F249-W251 PolarHBondContact O-N 3.28Å; W251-R255 WeakPolarHBondContact O-CB 3.4Å; W251-R255 PolarHBondContact O-N 3.19Å; W251-R255 VanDerWaalsContact O-N 3.08Å; W251-L256 PolarHBondContact O-N 3.1Å; W251-N295 PolarHBondContact NE1-O 3.05Å; W251-W298 HydrophobicContact CH2-CB 3.87Å; W251-W298 HydrophobicContact CH2-CD2 4.35Å; W251-W298 HydrophobicContact CH2-CE3 4.02Å; W251-W298 HydrophobicContact CH2-CG 4.34Å; W251-W298 HydrophobicContact CZ2-CB 3.5Å; W251-W298 VanDerWaalsContact CZ2-CB 3.5Å; W251-W298 HydrophobicContact CZ2-CD2 4.41Å; W251-W298 AromaticContact CZ2-CE3 3.96Å; W251-W298 HydrophobicContact CZ2-CE3 3.96Å; W251-W298 HydrophobicContact CZ2-CG 4.29Å; W251-F299 HydrophobicContact CB-CD2 4.47Å; W251-F299 AromaticContact CD1-CD2 3.42Å; W251-F299 VanDerWaalsContact CD1-CD2 3.42Å; W251-F299 AromaticContact CD1-CG 3.96Å; W251-F299 HydrophobicContact CG-CD2 4.15Å; W251-I302 HydrophobicContact CB-CD1 3.98Å; W251-I302 HydrophobicContact CD2-CD1 3.38Å; W251-I302 HydrophobicContact CE3-CD1 3.65Å; W251-I302 HydrophobicContact CG-CD1 3.54Å; W251-I302 HydrophobicContact CZ3-CD1 4.33Å |
| 252 | F | 97 | Very high | 95.3 | Very high | 93 Ų | 93 | 42 Ų | 42 | 41% | 0.408 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -59.1 | -52.2 | 177.2 | 176.1 | -97.1 | 0 | 0 | 0 | 111.1 | C248 F249 C250 L256 Y257 F299 | C248-F252 PolarHBondContact O-N 3.21Å; F249-F252 PolarHBondContact O-N 2.71Å; C250-F252 PolarHBondContact O-N 2.91Å; F252-L256 HydrophobicContact CD2-CB 4.3Å; F252-L256 HydrophobicContact CD2-CD1 4.23Å; F252-L256 CarbonylContact O-C 3.46Å; F252-L256 WeakPolarHBondContact O-CA 3.33Å; F252-L256 VanDerWaalsContact O-CB 3.31Å; F252-L256 WeakPolarHBondContact O-CB 3.11Å; F252-L256 PolarHBondContact O-N 3.42Å; F252-Y257 PolarHBondContact O-N 2.93Å; F252-F299 HydrophobicContact CB-CE2 3.86Å; F252-F299 HydrophobicContact CB-CZ 4.02Å; F252-F299 HydrophobicContact CD2-CE1 4.24Å; F252-F299 HydrophobicContact CD2-CE2 4.48Å; F252-F299 AromaticContact CD2-CZ 3.86Å; F252-F299 HydrophobicContact CD2-CZ 3.86Å; F252-F299 HydrophobicContact CG-CZ 4.37Å |
| 253 | W | 97.3 | Very high | 95.5 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 31% | 0.314 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -66.8 | -46.8 | -172.3 | -166.7 | -94.2 | 0 | 0 | 0 | 113.1 | F249 C250 Y257 W258 | F249-W253 HydrophobicContact CE1-CB 4.38Å; F249-W253 HydrophobicContact CE2-CE3 4.22Å; F249-W253 HydrophobicContact CZ-CB 4.37Å; F249-W253 HydrophobicContact CZ-CD2 4.2Å; F249-W253 HydrophobicContact CZ-CE3 4.08Å; F249-W253 HydrophobicContact CZ-CG 4.34Å; F249-W253 WeakPolarHBondContact O-CB 3.38Å; F249-W253 PolarHBondContact O-N 2.82Å; C250-W253 PolarHBondContact O-N 3.09Å; W253-Y257 HydrophobicContact CD2-CD1 4.25Å; W253-Y257 HydrophobicContact CE3-CD1 4.29Å; W253-Y257 HydrophobicContact CH2-CD1 4.26Å; W253-Y257 HydrophobicContact CH2-CE1 4.1Å; W253-Y257 HydrophobicContact CZ2-CD1 4.21Å; W253-Y257 HydrophobicContact CZ2-CE1 4.18Å; W253-Y257 HydrophobicContact CZ3-CD1 4.29Å; W253-Y257 HydrophobicContact CZ3-CE1 4.46Å; W253-Y257 VanDerWaalsContact O-CB 3.31Å; W253-Y257 WeakPolarHBondContact O-CB 3.38Å; W253-W258 AromaticContact CD1-CD2 3.87Å; W253-W258 AromaticContact CD1-CE2 3.84Å; W253-W258 AromaticContact CE2-CE2 3.92Å; W253-W258 AromaticContact CE2-NE1 3.79Å; W253-W258 HydrophobicContact CZ2-CZ2 4.41Å; W253-W258 AromaticContact CZ2-NE1 3.95Å; W253-W258 AromaticContact NE1-CD2 3.6Å; W253-W258 AromaticContact NE1-CE2 3.08Å; W253-W258 AromaticContact NE1-CH2 3.72Å; W253-W258 AromaticContact NE1-CZ2 3.16Å; W253-W258 AromaticContact NE1-NE1 3.39Å; W253-W258 PolarHBondContact O-N 2.99Å |
| 254 | F | 97.3 | Very high | 95.6 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -84.5 | -43.3 | -173.9 | -72.8 | -101.2 | 0 | 0 | 0 | 112.6 | F207 L208 V211 C250 W258 F259 | F207-F254 HydrophobicContact CE1-CE1 4.02Å; F207-F254 HydrophobicContact CZ-CE1 4.35Å; L208-F254 HydrophobicContact CD2-CD1 3.8Å; L208-F254 VanDerWaalsContact O-CB 3.24Å; L208-F254 WeakPolarHBondContact O-CB 3.11Å; V211-F254 HydrophobicContact CG1-CB 3.98Å; V211-F254 HydrophobicContact CG1-CD1 3.64Å; V211-F254 HydrophobicContact CG1-CD2 3.94Å; V211-F254 HydrophobicContact CG1-CE1 4.03Å; V211-F254 HydrophobicContact CG1-CE2 4.31Å; V211-F254 HydrophobicContact CG1-CG 3.59Å; V211-F254 HydrophobicContact CG1-CZ 4.36Å; C250-F254 WeakPolarHBondContact O-CB 3.27Å; C250-F254 WeakPolarHBondContact O-CD2 3.08Å; C250-F254 PolarHBondContact O-N 3.42Å; F254-W258 AromaticContact CD1-CE3 3.74Å; F254-W258 HydrophobicContact CD1-CE3 3.74Å; F254-W258 AromaticContact CD1-CZ3 3.98Å; F254-W258 HydrophobicContact CD1-CZ3 3.98Å; F254-W258 AromaticContact CE1-CE3 3.73Å; F254-W258 HydrophobicContact CE1-CE3 3.73Å; F254-W258 AromaticContact CE1-CZ3 3.45Å; F254-W258 HydrophobicContact CE1-CZ3 3.45Å; F254-W258 VanDerWaalsContact CE1-CZ3 3.45Å; F254-W258 HydrophobicContact CG-CE3 4.39Å; F254-W258 HydrophobicContact CZ-CE3 4.35Å; F254-W258 AromaticContact CZ-CZ3 3.84Å; F254-W258 HydrophobicContact CZ-CZ3 3.84Å; F254-F259 WeakPolarHBondContact O-CB 3.21Å; F254-F259 PolarHBondContact O-N 2.79Å |
| 255 | R | 97.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -92.3 | -31 | -174.2 | -61.2 | -177 | 174.9 | -137.8 | 4.9 | 114 | H209 S212 D213 W251 F259 N295 | H209-R255 PolarHBondContact O-NE 3.35Å; H209-R255 PolarHBondContact O-NH2 3.02Å; S212-R255 PolarHBondContact OG-NE 3.29Å; S212-R255 PolarHBondContact OG-NH2 3.46Å; S212-R255 VanDerWaalsContact OG-NH2 3.14Å; D213-R255 IonicContact OD1-NH2 3.32Å; D213-R255 PolarHBondContact OD1-NH2 2.88Å; D213-R255 IonicContact OD2-NH2 3.91Å; D213-R255 PolarHBondContact OD2-NH2 3.16Å; W251-R255 WeakPolarHBondContact O-CB 3.4Å; W251-R255 PolarHBondContact O-N 3.19Å; W251-R255 VanDerWaalsContact O-N 3.08Å; R255-F259 WeakPolarHBondContact O-CB 3.44Å; R255-N295 HydrophobicContact CB-CB 4.39Å; R255-N295 WeakPolarHBondContact CD-OD1 3.43Å; R255-N295 PolarHBondContact NH1-OD1 3.47Å |
| 256 | L | 96.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 31 Ų | 31 | 14% | 0.136 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -101.5 | -27.3 | -179.6 | -60.2 | -175 | 0 | 0 | 0 | 113.7 | Y19 W251 F252 P260 N295 I296 F299 | Y19-L256 PolarHBondContact OH-O 3.37Å; W251-L256 PolarHBondContact O-N 3.1Å; F252-L256 HydrophobicContact CD2-CB 4.3Å; F252-L256 HydrophobicContact CD2-CD1 4.23Å; F252-L256 CarbonylContact O-C 3.46Å; F252-L256 WeakPolarHBondContact O-CA 3.33Å; F252-L256 VanDerWaalsContact O-CB 3.31Å; F252-L256 WeakPolarHBondContact O-CB 3.11Å; F252-L256 PolarHBondContact O-N 3.42Å; L256-P260 WeakPolarHBondContact O-CD 3.16Å; L256-P260 WeakPolarHBondContact O-CG 3.43Å; L256-N295 HydrophobicContact CD2-CB 4.21Å; L256-I296 HydrophobicContact CD2-CG1 3.79Å; L256-F299 HydrophobicContact CD1-CB 3.76Å; L256-F299 HydrophobicContact CD1-CD1 3.33Å; L256-F299 HydrophobicContact CD1-CD2 3.97Å; L256-F299 HydrophobicContact CD1-CE1 3.83Å; L256-F299 HydrophobicContact CD1-CE2 4.4Å; L256-F299 HydrophobicContact CD1-CG 3.4Å; L256-F299 VanDerWaalsContact CD1-CG 3.4Å; L256-F299 HydrophobicContact CD1-CZ 4.33Å |
| 257 | Y | 95.3 | Very high | 95.7 | Very high | 76 Ų | 76 | 28.6 Ų | 28.6 | 30% | 0.298 | 13% | 0.126 | S | C | . | . | I | π-helix | trans | -98.7 | -64.7 | 179.2 | -172.8 | -108.1 | 0 | 0 | 0 | 113.2 | Y19 F252 W253 L261 | Y19-Y257 AromaticContact CE2-CD2 3.64Å; Y19-Y257 HydrophobicContact CE2-CD2 3.64Å; Y19-Y257 AromaticContact CE2-CE2 3.9Å; Y19-Y257 HydrophobicContact CE2-CE2 3.9Å; Y19-Y257 WeakPolarHBondContact OH-CA 3.18Å; Y19-Y257 PolarHBondContact OH-O 3.36Å; F252-Y257 PolarHBondContact O-N 2.93Å; W253-Y257 HydrophobicContact CD2-CD1 4.25Å; W253-Y257 HydrophobicContact CE3-CD1 4.29Å; W253-Y257 HydrophobicContact CH2-CD1 4.26Å; W253-Y257 HydrophobicContact CH2-CE1 4.1Å; W253-Y257 HydrophobicContact CZ2-CD1 4.21Å; W253-Y257 HydrophobicContact CZ2-CE1 4.18Å; W253-Y257 HydrophobicContact CZ3-CD1 4.29Å; W253-Y257 HydrophobicContact CZ3-CE1 4.46Å; W253-Y257 VanDerWaalsContact O-CB 3.31Å; W253-Y257 WeakPolarHBondContact O-CB 3.38Å; Y257-L261 HydrophobicContact CD2-CD1 4.08Å; Y257-L261 HydrophobicContact CE1-CD1 4.19Å; Y257-L261 HydrophobicContact CE2-CD1 3.64Å; Y257-L261 WeakPolarHBondContact O-CG 3.39Å; Y257-L261 PolarHBondContact O-N 3.31Å |
| 258 | W | 96 | Very high | 95.6 | Very high | 51 Ų | 51 | 28.1 Ų | 28.1 | 19% | 0.193 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -71.3 | -38.3 | -176.9 | -80.2 | -3.3 | 0 | 0 | 0 | 114.2 | F128 L208 W253 F254 L261 K262 | F128-W258 HydrophobicContact CE2-CZ3 4.37Å; F128-W258 HydrophobicContact CZ-CE3 4.31Å; F128-W258 HydrophobicContact CZ-CH2 4.12Å; F128-W258 AromaticContact CZ-CZ3 3.8Å; F128-W258 HydrophobicContact CZ-CZ3 3.8Å; L208-W258 HydrophobicContact CD1-CB 4.49Å; L208-W258 HydrophobicContact CD2-CB 3.84Å; L208-W258 HydrophobicContact CD2-CD2 4.5Å; L208-W258 HydrophobicContact CD2-CE3 3.78Å; W253-W258 AromaticContact CD1-CD2 3.87Å; W253-W258 AromaticContact CD1-CE2 3.84Å; W253-W258 AromaticContact CE2-CE2 3.92Å; W253-W258 AromaticContact CE2-NE1 3.79Å; W253-W258 HydrophobicContact CZ2-CZ2 4.41Å; W253-W258 AromaticContact CZ2-NE1 3.95Å; W253-W258 AromaticContact NE1-CD2 3.6Å; W253-W258 AromaticContact NE1-CE2 3.08Å; W253-W258 AromaticContact NE1-CH2 3.72Å; W253-W258 AromaticContact NE1-CZ2 3.16Å; W253-W258 AromaticContact NE1-NE1 3.39Å; W253-W258 PolarHBondContact O-N 2.99Å; F254-W258 AromaticContact CD1-CE3 3.74Å; F254-W258 HydrophobicContact CD1-CE3 3.74Å; F254-W258 AromaticContact CD1-CZ3 3.98Å; F254-W258 HydrophobicContact CD1-CZ3 3.98Å; F254-W258 AromaticContact CE1-CE3 3.73Å; F254-W258 HydrophobicContact CE1-CE3 3.73Å; F254-W258 AromaticContact CE1-CZ3 3.45Å; F254-W258 HydrophobicContact CE1-CZ3 3.45Å; F254-W258 VanDerWaalsContact CE1-CZ3 3.45Å; F254-W258 HydrophobicContact CG-CE3 4.39Å; F254-W258 HydrophobicContact CZ-CE3 4.35Å; F254-W258 AromaticContact CZ-CZ3 3.84Å; F254-W258 HydrophobicContact CZ-CZ3 3.84Å; W258-L261 PolarHBondContact O-N 3.22Å; W258-K262 HydrophobicContact CB-CD 4.41Å; W258-K262 HydrophobicContact CG-CD 4.49Å; W258-K262 VanDerWaalsContact O-CB 3.26Å; W258-K262 WeakPolarHBondContact O-CB 3.23Å; W258-K262 WeakPolarHBondContact O-CG 3.35Å; W258-K262 PolarHBondContact O-N 2.65Å |
| 259 | F | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -60.5 | -49.3 | -178.9 | 170 | -112.1 | 0 | 0 | 0 | 113.1 | V205 L208 H209 F254 R255 V263 L264 L288 L291 T292 | V205-F259 HydrophobicContact CG2-CE2 4.04Å; L208-F259 HydrophobicContact CD1-CB 4.05Å; L208-F259 HydrophobicContact CD1-CD2 4.45Å; H209-F259 AromaticContact CE1-CD2 3.53Å; H209-F259 AromaticContact CE1-CE2 3.68Å; H209-F259 AromaticContact CE1-CG 3.79Å; F254-F259 WeakPolarHBondContact O-CB 3.21Å; F254-F259 PolarHBondContact O-N 2.79Å; R255-F259 WeakPolarHBondContact O-CB 3.44Å; F259-V263 HydrophobicContact CD2-CB 3.66Å; F259-V263 HydrophobicContact CD2-CG1 4.13Å; F259-V263 HydrophobicContact CD2-CG2 3.79Å; F259-V263 HydrophobicContact CE2-CB 3.74Å; F259-V263 HydrophobicContact CE2-CG1 3.68Å; F259-V263 HydrophobicContact CE2-CG2 4.16Å; F259-V263 WeakPolarHBondContact O-CA 3.5Å; F259-V263 VanDerWaalsContact O-CB 3.28Å; F259-V263 WeakPolarHBondContact O-CB 3.26Å; F259-V263 PolarHBondContact O-N 3.25Å; F259-L264 PolarHBondContact O-N 3.38Å; F259-L288 HydrophobicContact CE2-CD2 4.26Å; F259-L288 HydrophobicContact CZ-CD2 4.12Å; F259-L291 HydrophobicContact CZ-CD2 4.17Å; F259-T292 VanDerWaalsContact CE1-OG1 3.31Å; F259-T292 WeakPolarHBondContact CE1-OG1 3.48Å |
| 260 | P | 95.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -61.1 | -48.3 | 173.9 | -27.1 | 37.9 | 0 | 0 | 0 | 112.9 | Y19 M22 L256 K262 L264 Y265 | Y19-P260 HydrophobicContact CE1-CB 4.05Å; Y19-P260 HydrophobicContact CE1-CG 4.38Å; M22-P260 HydrophobicContact CE-CB 4.07Å; M22-P260 HydrophobicContact SD-CB 3.77Å; L256-P260 WeakPolarHBondContact O-CD 3.16Å; L256-P260 WeakPolarHBondContact O-CG 3.43Å; P260-K262 PolarHBondContact O-N 2.83Å; P260-L264 HydrophobicContact CB-CD1 4.1Å; P260-L264 HydrophobicContact CG-CD1 4.46Å; P260-L264 WeakPolarHBondContact O-CB 3.4Å; P260-L264 PolarHBondContact O-N 2.93Å; P260-Y265 PolarHBondContact O-N 2.92Å |
| 261 | L | 93.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -70.8 | -31.6 | -173.2 | -65.1 | -178.2 | 0 | 0 | 0 | 114.2 | P17 Y19 M22 Y257 W258 Y265 | P17-L261 WeakPolarHBondContact O-CD2 3.22Å; Y19-L261 HydrophobicContact CD2-CD1 4.39Å; Y19-L261 HydrophobicContact CD2-CD2 4.05Å; Y19-L261 HydrophobicContact CD2-CG 4.42Å; Y19-L261 HydrophobicContact CE2-CD1 3.83Å; Y19-L261 HydrophobicContact CE2-CD2 3.91Å; Y19-L261 HydrophobicContact CE2-CG 3.81Å; Y19-L261 HydrophobicContact CG-CD2 4.48Å; M22-L261 HydrophobicContact CB-CD2 4.3Å; M22-L261 HydrophobicContact SD-CD2 4.06Å; Y257-L261 HydrophobicContact CD2-CD1 4.08Å; Y257-L261 HydrophobicContact CE1-CD1 4.19Å; Y257-L261 HydrophobicContact CE2-CD1 3.64Å; Y257-L261 WeakPolarHBondContact O-CG 3.39Å; Y257-L261 PolarHBondContact O-N 3.31Å; W258-L261 PolarHBondContact O-N 3.22Å; L261-Y265 WeakPolarHBondContact O-CB 3.28Å |
| 262 | K | 94.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 6% | 0.057 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -94.5 | -48.8 | 179.4 | -64.8 | -175.4 | 171.3 | -72.9 | 0 | 111.9 | M16 F128 P131 W258 P260 A266 | M16-K262 HydrophobicContact SD-CG 4.06Å; F128-K262 PolarHBondContact O-NZ 2.95Å; P131-K262 HydrophobicContact CB-CB 4.16Å; P131-K262 WeakPolarHBondContact CB-O 3.45Å; P131-K262 HydrophobicContact CG-CB 3.98Å; P131-K262 HydrophobicContact CG-CD 4.4Å; P131-K262 HydrophobicContact CG-CG 3.8Å; W258-K262 HydrophobicContact CB-CD 4.41Å; W258-K262 HydrophobicContact CG-CD 4.49Å; W258-K262 VanDerWaalsContact O-CB 3.26Å; W258-K262 WeakPolarHBondContact O-CB 3.23Å; W258-K262 WeakPolarHBondContact O-CG 3.35Å; W258-K262 PolarHBondContact O-N 2.65Å; P260-K262 PolarHBondContact O-N 2.83Å; K262-A266 WeakPolarHBondContact O-CB 3.48Å |
| 263 | V | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -87.6 | -58.5 | -173.5 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | V201 L204 V205 L208 F259 Y265 A266 T267 L288 | V201-V263 HydrophobicContact CG1-CG1 3.79Å; L204-V263 HydrophobicContact CB-CG2 3.83Å; L204-V263 HydrophobicContact CD1-CG2 4.42Å; V205-V263 HydrophobicContact CG2-CG1 3.93Å; V205-V263 HydrophobicContact CG2-CG2 4.25Å; L208-V263 HydrophobicContact CD1-CG2 3.96Å; F259-V263 HydrophobicContact CD2-CB 3.66Å; F259-V263 HydrophobicContact CD2-CG1 4.13Å; F259-V263 HydrophobicContact CD2-CG2 3.79Å; F259-V263 HydrophobicContact CE2-CB 3.74Å; F259-V263 HydrophobicContact CE2-CG1 3.68Å; F259-V263 HydrophobicContact CE2-CG2 4.16Å; F259-V263 WeakPolarHBondContact O-CA 3.5Å; F259-V263 VanDerWaalsContact O-CB 3.28Å; F259-V263 WeakPolarHBondContact O-CB 3.26Å; F259-V263 PolarHBondContact O-N 3.25Å; V263-Y265 VanDerWaalsContact C-N 3.31Å; V263-Y265 PolarHBondContact O-N 3.31Å; V263-A266 PolarHBondContact O-N 2.96Å; V263-A266 VanDerWaalsContact O-N 3.13Å; V263-T267 HydrophobicContact CG1-CG2 4.24Å; V263-T267 WeakPolarHBondContact O-CG2 3.29Å; V263-T267 PolarHBondContact O-N 2.85Å; V263-T267 PolarHBondContact O-OG1 2.9Å; V263-T267 VanDerWaalsContact O-OG1 3.13Å; V263-L288 HydrophobicContact CG1-CD1 4.12Å; V263-L288 HydrophobicContact CG1-CD2 4.41Å |
| 264 | L | 95.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.063 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -63.3 | -37.9 | -176.9 | -67.8 | 179.2 | 0 | 0 | 0 | 112.1 | F259 P260 T267 C268 L288 L289 | F259-L264 PolarHBondContact O-N 3.38Å; P260-L264 HydrophobicContact CB-CD1 4.1Å; P260-L264 HydrophobicContact CG-CD1 4.46Å; P260-L264 WeakPolarHBondContact O-CB 3.4Å; P260-L264 PolarHBondContact O-N 2.93Å; L264-T267 PolarHBondContact O-N 3.45Å; L264-T267 PolarHBondContact O-OG1 3.44Å; L264-C268 WeakPolarHBondContact O-CB 2.98Å; L264-C268 PolarHBondContact O-N 3.13Å; L264-C268 PolarHBondContact O-SG 3.19Å; L264-C268 VanDerWaalsContact O-SG 3.35Å; L264-L288 HydrophobicContact CD2-CB 3.68Å; L264-L288 HydrophobicContact CD2-CD1 4.44Å; L264-L289 HydrophobicContact CD1-CD2 4.14Å; L264-L289 HydrophobicContact CD2-CD2 4.29Å |
| 265 | Y | 93.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 173.9 | -178.3 | -113.3 | 0 | 0 | 0 | 111.7 | E14 P17 M22 R25 P260 L261 V263 T267 H269 S270 | E14-Y265 PolarHBondContact OE2-OH 2.69Å; P17-Y265 HydrophobicContact CB-CD2 4.5Å; P17-Y265 HydrophobicContact CB-CE2 4.28Å; P17-Y265 HydrophobicContact CG-CD1 3.91Å; P17-Y265 HydrophobicContact CG-CD2 3.71Å; P17-Y265 HydrophobicContact CG-CE1 4.06Å; P17-Y265 HydrophobicContact CG-CE2 3.86Å; P17-Y265 HydrophobicContact CG-CG 3.72Å; M22-Y265 HydrophobicContact CB-CD2 4.43Å; M22-Y265 HydrophobicContact CG-CD2 4.15Å; R25-Y265 HydrophobicContact CB-CE2 4.49Å; R25-Y265 PolarHBondContact NH1-OH 3.37Å; P260-Y265 PolarHBondContact O-N 2.92Å; L261-Y265 WeakPolarHBondContact O-CB 3.28Å; V263-Y265 VanDerWaalsContact C-N 3.31Å; V263-Y265 PolarHBondContact O-N 3.31Å; Y265-T267 VanDerWaalsContact C-N 3.35Å; Y265-T267 PolarHBondContact O-N 3.13Å; Y265-H269 HydrophobicContact CD2-CB 4.09Å; Y265-H269 HydrophobicContact CE2-CB 3.98Å; Y265-H269 AromaticContact CE2-CD2 3.62Å; Y265-H269 AromaticContact CZ-CD2 3.68Å; Y265-H269 WeakPolarHBondContact O-CB 3.43Å; Y265-H269 PolarHBondContact O-N 3.34Å; Y265-H269 PolarHBondContact OH-CD2 3.02Å; Y265-S270 PolarHBondContact O-N 2.86Å |
| 266 | A | 93.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -63 | -41.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P131 V134 F135 K262 V263 S270 S271 | P131-A266 HydrophobicContact CB-CB 4.47Å; V134-A266 HydrophobicContact CG2-CB 3.9Å; F135-A266 WeakPolarHBondContact CE2-O 3.18Å; K262-A266 WeakPolarHBondContact O-CB 3.48Å; V263-A266 PolarHBondContact O-N 2.96Å; V263-A266 VanDerWaalsContact O-N 3.13Å; A266-S270 CarbonylContact O-C 3.44Å; A266-S270 WeakPolarHBondContact O-CB 3.49Å; A266-S270 PolarHBondContact O-N 3.24Å; A266-S271 PolarHBondContact O-N 3.24Å |
| 267 | T | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -83.5 | -27.6 | -176.1 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | F135 V201 V263 L264 Y265 S271 Y281 F284 N285 L288 | F135-T267 HydrophobicContact CE2-CG2 4.11Å; F135-T267 HydrophobicContact CZ-CG2 4.07Å; V201-T267 HydrophobicContact CB-CG2 4.48Å; V201-T267 HydrophobicContact CG1-CG2 3.61Å; V201-T267 HydrophobicContact CG2-CG2 4.04Å; V263-T267 HydrophobicContact CG1-CG2 4.24Å; V263-T267 WeakPolarHBondContact O-CG2 3.29Å; V263-T267 PolarHBondContact O-N 2.85Å; V263-T267 PolarHBondContact O-OG1 2.9Å; V263-T267 VanDerWaalsContact O-OG1 3.13Å; L264-T267 PolarHBondContact O-N 3.45Å; L264-T267 PolarHBondContact O-OG1 3.44Å; Y265-T267 VanDerWaalsContact C-N 3.35Å; Y265-T267 PolarHBondContact O-N 3.13Å; T267-S271 PolarHBondContact O-OG 3.5Å; T267-Y281 WeakPolarHBondContact O-CE2 3.42Å; T267-F284 HydrophobicContact CG2-CE1 4.16Å; T267-N285 VanDerWaalsContact C-OD1 3.29Å; T267-N285 WeakPolarHBondContact CB-OD1 3.45Å; T267-N285 PolarHBondContact O-ND2 3.4Å; T267-N285 PolarHBondContact O-OD1 3Å; T267-N285 PolarHBondContact OG1-OD1 3.21Å; T267-L288 HydrophobicContact CG2-CD1 3.85Å |
| 268 | C | 92.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.081 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -90.5 | -34.6 | 179.3 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | S26 S29 L264 Y281 N285 | S26-C268 WeakPolarHBondContact OG-CB 3.45Å; S29-C268 WeakPolarHBondContact CB-O 3.47Å; L264-C268 WeakPolarHBondContact O-CB 2.98Å; L264-C268 PolarHBondContact O-N 3.13Å; L264-C268 PolarHBondContact O-SG 3.19Å; L264-C268 VanDerWaalsContact O-SG 3.35Å; C268-Y281 PolarHBondContact O-OH 2.88Å; C268-N285 PolarHBondContact SG-OD1 3.13Å |
| 269 | H | 90.2 | Very high | 91.4 | Very high | 24 Ų | 24 | 31.3 Ų | 31.3 | 11% | 0.111 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -112.9 | -59.5 | -174.1 | -176.5 | 66 | 0 | 0 | 0 | 112.7 | S29 Y265 S271 L272 R273 | S29-H269 PolarHBondContact OG-ND1 3.16Å; Y265-H269 HydrophobicContact CD2-CB 4.09Å; Y265-H269 HydrophobicContact CE2-CB 3.98Å; Y265-H269 AromaticContact CE2-CD2 3.62Å; Y265-H269 AromaticContact CZ-CD2 3.68Å; Y265-H269 WeakPolarHBondContact O-CB 3.43Å; Y265-H269 PolarHBondContact O-N 3.34Å; Y265-H269 PolarHBondContact OH-CD2 3.02Å; H269-S271 VanDerWaalsContact C-N 3.29Å; H269-S271 PolarHBondContact O-N 2.96Å; H269-L272 PolarHBondContact O-N 3.31Å; H269-R273 WeakPolarHBondContact O-CG 3.48Å; H269-R273 PolarHBondContact O-N 3.39Å |
| 270 | S | 89.6 | Confident | 91 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -64.7 | -33.7 | -173.6 | -53 | 0 | 0 | 0 | 0 | 112.5 | Y265 A266 L272 R273 S274 | Y265-S270 PolarHBondContact O-N 2.86Å; A266-S270 CarbonylContact O-C 3.44Å; A266-S270 WeakPolarHBondContact O-CB 3.49Å; A266-S270 PolarHBondContact O-N 3.24Å; S270-L272 VanDerWaalsContact C-N 3.33Å; S270-L272 PolarHBondContact O-N 3.39Å; S270-R273 WeakPolarHBondContact O-CB 3.5Å; S270-R273 PolarHBondContact O-N 2.88Å; S270-S274 PolarHBondContact O-N 2.92Å; S270-S274 PolarHBondContact O-OG 2.82Å |
| 271 | S | 91.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 179.5 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | F135 A266 T267 H269 R273 S274 V275 | F135-S271 VanDerWaalsContact CE2-CB 3.46Å; A266-S271 PolarHBondContact O-N 3.24Å; T267-S271 PolarHBondContact O-OG 3.5Å; H269-S271 VanDerWaalsContact C-N 3.29Å; H269-S271 PolarHBondContact O-N 2.96Å; S271-R273 VanDerWaalsContact C-N 3.29Å; S271-R273 PolarHBondContact O-N 2.85Å; S271-S274 PolarHBondContact O-N 3.46Å; S271-V275 CarbonylContact O-C 3.52Å; S271-V275 WeakPolarHBondContact O-CA 3.28Å; S271-V275 PolarHBondContact O-N 2.97Å |
| 272 | L | 89.8 | Confident | 90.7 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.8 | -19.5 | -179.6 | -68.5 | 172.2 | 0 | 0 | 0 | 112.4 | A33 H269 S270 P276 I278 Y281 | A33-L272 HydrophobicContact CB-CD1 3.95Å; H269-L272 PolarHBondContact O-N 3.31Å; S270-L272 VanDerWaalsContact C-N 3.33Å; S270-L272 PolarHBondContact O-N 3.39Å; L272-P276 WeakPolarHBondContact CD2-O 3.39Å; L272-P276 WeakPolarHBondContact O-CA 3.28Å; L272-I278 HydrophobicContact CD2-CG2 3.93Å; L272-Y281 HydrophobicContact CD1-CD2 4.17Å; L272-Y281 HydrophobicContact CD1-CE1 4.09Å; L272-Y281 HydrophobicContact CD1-CE2 3.57Å; L272-Y281 HydrophobicContact CD2-CD2 4.02Å; L272-Y281 HydrophobicContact CD2-CE2 4.24Å; L272-Y281 HydrophobicContact CD2-CG 4.31Å; L272-Y281 HydrophobicContact CG-CD2 3.94Å; L272-Y281 HydrophobicContact CG-CE2 3.68Å |
| 273 | R | 89.1 | Confident | 90.7 | Very high | 187 Ų | 187 | 42.2 Ų | 42.2 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -80.1 | -40.1 | 174.6 | -65.6 | -84.3 | -99.5 | 140.6 | 0.7 | 110.7 | H269 S270 S271 | H269-R273 WeakPolarHBondContact O-CG 3.48Å; H269-R273 PolarHBondContact O-N 3.39Å; S270-R273 WeakPolarHBondContact O-CB 3.5Å; S270-R273 PolarHBondContact O-N 2.88Å; S271-R273 VanDerWaalsContact C-N 3.29Å; S271-R273 PolarHBondContact O-N 2.85Å |
| 274 | S | 87.9 | Confident | 90.6 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -80.2 | -38.2 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | S270 S271 | S270-S274 PolarHBondContact O-N 2.92Å; S270-S274 PolarHBondContact O-OG 2.82Å; S271-S274 PolarHBondContact O-N 3.46Å |
| 275 | V | 88.9 | Confident | 90.7 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | trans | -138.7 | 90.9 | -176.9 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | W138 S271 D277 I278 | W138-V275 HydrophobicContact CB-CG2 4.14Å; W138-V275 HydrophobicContact CE3-CB 4.49Å; W138-V275 HydrophobicContact CE3-CG1 3.76Å; W138-V275 HydrophobicContact CE3-CG2 4.04Å; W138-V275 HydrophobicContact CZ3-CG1 3.93Å; S271-V275 CarbonylContact O-C 3.52Å; S271-V275 WeakPolarHBondContact O-CA 3.28Å; S271-V275 PolarHBondContact O-N 2.97Å; V275-D277 VanDerWaalsContact C-N 3.32Å; V275-D277 PolarHBondContact O-N 2.94Å; V275-I278 HydrophobicContact CB-CB 4.08Å; V275-I278 HydrophobicContact CB-CG1 4.44Å; V275-I278 HydrophobicContact CG1-CB 3.92Å; V275-I278 HydrophobicContact CG1-CG1 4.32Å; V275-I278 WeakPolarHBondContact O-CB 3.39Å; V275-I278 PolarHBondContact O-N 3.4Å | ||
| 276 | P | 85.1 | Confident | 90.8 | Very high | 91 Ų | 91 | 45.6 Ų | 45.6 | 59% | 0.591 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -40.7 | -175 | -29.6 | 36.8 | 0 | 0 | 0 | 114.6 | L272 | L272-P276 WeakPolarHBondContact CD2-O 3.39Å; L272-P276 WeakPolarHBondContact O-CA 3.28Å |
| 277 | D | 84.1 | Confident | 91 | Very high | 157 Ų | 157 | 46.5 Ų | 46.5 | 84% | 0.84 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 44.3 | -179.3 | -60.1 | -50 | 0 | 0 | 0 | 112 | V275 | V275-D277 VanDerWaalsContact C-N 3.32Å; V275-D277 PolarHBondContact O-N 2.94Å |
| 278 | I | 88.6 | Confident | 91.2 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | trans | -63.8 | 127.7 | -178.9 | -165.1 | 173.3 | 0 | 0 | 0 | 111.1 | F135 Y198 L272 V275 Y281 | F135-I278 HydrophobicContact CD1-CD1 3.58Å; F135-I278 HydrophobicContact CE1-CD1 3.36Å; F135-I278 HydrophobicContact CG-CD1 4.47Å; F135-I278 HydrophobicContact CZ-CD1 4.12Å; Y198-I278 HydrophobicContact CE1-CD1 3.69Å; Y198-I278 HydrophobicContact CE1-CG1 3.92Å; Y198-I278 VanDerWaalsContact OH-CG1 3.22Å; Y198-I278 WeakPolarHBondContact OH-CG1 3.48Å; L272-I278 HydrophobicContact CD2-CG2 3.93Å; V275-I278 HydrophobicContact CB-CB 4.08Å; V275-I278 HydrophobicContact CB-CG1 4.44Å; V275-I278 HydrophobicContact CG1-CB 3.92Å; V275-I278 HydrophobicContact CG1-CG1 4.32Å; V275-I278 WeakPolarHBondContact O-CB 3.39Å; V275-I278 PolarHBondContact O-N 3.4Å; I278-Y281 HydrophobicContact CG2-CD2 4Å; I278-Y281 HydrophobicContact CG2-CG 4.35Å | ||
| 279 | P | 88.7 | Confident | 91.4 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 148 | -172.8 | 25.8 | -33.6 | 0 | 0 | 0 | 111.7 | H52 W138 Y198 Y281 | H52-P279 HydrophobicContact CB-CB 4.27Å; H52-P279 HydrophobicContact CB-CG 4.27Å; W138-P279 HydrophobicContact CH2-CG 3.48Å; W138-P279 VanDerWaalsContact CH2-CG 3.48Å; W138-P279 HydrophobicContact CZ2-CG 3.76Å; Y198-P279 WeakPolarHBondContact OH-CD 3.22Å; Y198-P279 WeakPolarHBondContact OH-CG 3.37Å; Y198-P279 PolarHBondContact OH-O 3.22Å; P279-Y281 PolarHBondContact O-N 3.02Å |
| 280 | Y | 89.5 | Confident | 91.7 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 21% | 0.212 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 24.2 | 174.4 | -64.9 | -80.3 | 0 | 0 | 0 | 116.8 | A45 L49 F196 F282 F283 F284 | A45-Y280 PolarHBondContact O-OH 3.29Å; L49-Y280 WeakPolarHBondContact CA-OH 3.46Å; L49-Y280 WeakPolarHBondContact CB-OH 3.44Å; L49-Y280 HydrophobicContact CD1-CE2 4.46Å; L49-Y280 PolarHBondContact N-OH 2.92Å; F196-Y280 AromaticContact CD1-CD2 3.91Å; F196-Y280 HydrophobicContact CD1-CD2 3.91Å; F196-Y280 HydrophobicContact CD1-CE2 4.28Å; F196-Y280 HydrophobicContact CD2-CD2 4.14Å; F196-Y280 HydrophobicContact CD2-CG 4.28Å; F196-Y280 AromaticContact CE1-CD2 3.36Å; F196-Y280 HydrophobicContact CE1-CD2 3.36Å; F196-Y280 AromaticContact CE1-CE2 3.45Å; F196-Y280 HydrophobicContact CE1-CE2 3.45Å; F196-Y280 VanDerWaalsContact CE1-CE2 3.45Å; F196-Y280 HydrophobicContact CE1-CG 4.17Å; F196-Y280 HydrophobicContact CE2-CD1 4.29Å; F196-Y280 AromaticContact CE2-CD2 3.62Å; F196-Y280 HydrophobicContact CE2-CD2 3.62Å; F196-Y280 HydrophobicContact CE2-CE2 4.35Å; F196-Y280 AromaticContact CE2-CG 3.58Å; F196-Y280 HydrophobicContact CE2-CG 3.58Å; F196-Y280 HydrophobicContact CG-CD2 4.28Å; F196-Y280 HydrophobicContact CZ-CD1 4.08Å; F196-Y280 AromaticContact CZ-CD2 3.2Å; F196-Y280 HydrophobicContact CZ-CD2 3.2Å; F196-Y280 HydrophobicContact CZ-CE1 4.3Å; F196-Y280 AromaticContact CZ-CE2 3.5Å; F196-Y280 HydrophobicContact CZ-CE2 3.5Å; F196-Y280 VanDerWaalsContact CZ-CE2 3.5Å; F196-Y280 AromaticContact CZ-CG 3.52Å; F196-Y280 HydrophobicContact CZ-CG 3.52Å; Y280-F282 PolarHBondContact O-N 3.42Å; Y280-F283 HydrophobicContact CD1-CB 4.26Å; Y280-F283 PolarHBondContact O-N 3.05Å; Y280-F283 VanDerWaalsContact O-N 3.16Å; Y280-F284 PolarHBondContact O-N 3.19Å |
| 281 | Y | 91.4 | Very high | 92.1 | Very high | 18 Ų | 18 | 52 Ų | 52 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -45.8 | -54.4 | 178.7 | 171.9 | -98.5 | 0 | 0 | 0 | 113.4 | A33 T267 C268 L272 I278 P279 N285 | A33-Y281 HydrophobicContact CB-CE1 4.45Å; T267-Y281 WeakPolarHBondContact O-CE2 3.42Å; C268-Y281 PolarHBondContact O-OH 2.88Å; L272-Y281 HydrophobicContact CD1-CD2 4.17Å; L272-Y281 HydrophobicContact CD1-CE1 4.09Å; L272-Y281 HydrophobicContact CD1-CE2 3.57Å; L272-Y281 HydrophobicContact CD2-CD2 4.02Å; L272-Y281 HydrophobicContact CD2-CE2 4.24Å; L272-Y281 HydrophobicContact CD2-CG 4.31Å; L272-Y281 HydrophobicContact CG-CD2 3.94Å; L272-Y281 HydrophobicContact CG-CE2 3.68Å; I278-Y281 HydrophobicContact CG2-CD2 4Å; I278-Y281 HydrophobicContact CG2-CG 4.35Å; P279-Y281 PolarHBondContact O-N 3.02Å; Y281-N285 WeakPolarHBondContact CD2-ND2 3.17Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.34Å; Y281-N285 WeakPolarHBondContact O-CB 3.23Å; Y281-N285 PolarHBondContact O-N 3.28Å; Y281-N285 PolarHBondContact O-ND2 3.33Å |
| 282 | F | 92.1 | Very high | 92.4 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | -176.9 | -70.7 | -70.1 | 0 | 0 | 0 | 112.5 | A33 A34 Y280 T286 | A33-F282 HydrophobicContact CB-CE2 4.26Å; A33-F282 HydrophobicContact CB-CZ 3.78Å; A34-F282 HydrophobicContact CB-CE1 4.48Å; A34-F282 HydrophobicContact CB-CZ 4Å; Y280-F282 PolarHBondContact O-N 3.42Å; F282-T286 VanDerWaalsContact O-CB 3.24Å; F282-T286 WeakPolarHBondContact O-CB 3.49Å; F282-T286 PolarHBondContact O-N 3.29Å; F282-T286 PolarHBondContact O-OG1 3.38Å |
| 283 | F | 93.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 40% | 0.395 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -51.3 | 178.7 | 169.2 | -99.5 | 0 | 0 | 0 | 110.8 | V188 F196 Y280 T286 L287 | V188-F283 HydrophobicContact CG1-CE1 4.44Å; V188-F283 HydrophobicContact CG1-CZ 3.72Å; F196-F283 HydrophobicContact CE2-CD1 4.35Å; F196-F283 HydrophobicContact CE2-CE1 4.43Å; Y280-F283 HydrophobicContact CD1-CB 4.26Å; Y280-F283 PolarHBondContact O-N 3.05Å; Y280-F283 VanDerWaalsContact O-N 3.16Å; F283-T286 PolarHBondContact O-N 3.27Å; F283-L287 HydrophobicContact CD1-CD1 4.28Å; F283-L287 HydrophobicContact CE1-CD1 3.68Å; F283-L287 HydrophobicContact CE2-CD1 4.04Å; F283-L287 HydrophobicContact CZ-CD1 3.56Å; F283-L287 WeakPolarHBondContact O-CG 3.36Å; F283-L287 PolarHBondContact O-N 3.46Å |
| 284 | F | 94.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | -177.1 | -168.4 | -107.4 | 0 | 0 | 0 | 112.1 | L189 Y198 V201 T267 Y280 T286 L287 L288 | L189-F284 HydrophobicContact CD2-CD2 3.96Å; L189-F284 HydrophobicContact CD2-CE2 3.63Å; L189-F284 HydrophobicContact CD2-CZ 4.17Å; Y198-F284 HydrophobicContact CD2-CD1 4.01Å; Y198-F284 HydrophobicContact CD2-CD2 4.21Å; Y198-F284 HydrophobicContact CD2-CE1 4.15Å; Y198-F284 HydrophobicContact CD2-CE2 4.38Å; Y198-F284 HydrophobicContact CD2-CG 4.03Å; Y198-F284 HydrophobicContact CD2-CZ 4.34Å; Y198-F284 HydrophobicContact CE2-CG 4.36Å; V201-F284 HydrophobicContact CG1-CE1 4.04Å; V201-F284 HydrophobicContact CG1-CZ 4.3Å; T267-F284 HydrophobicContact CG2-CE1 4.16Å; Y280-F284 PolarHBondContact O-N 3.19Å; F284-T286 VanDerWaalsContact C-N 3.34Å; F284-T286 PolarHBondContact O-N 3.29Å; F284-L287 PolarHBondContact O-N 2.72Å; F284-L288 HydrophobicContact CD1-CD1 3.89Å; F284-L288 HydrophobicContact CD1-CG 4.5Å; F284-L288 HydrophobicContact CE1-CD1 3.61Å; F284-L288 HydrophobicContact CE1-CG 4.26Å; F284-L288 HydrophobicContact CZ-CD1 4.33Å; F284-L288 PolarHBondContact O-N 2.98Å; F284-L288 VanDerWaalsContact O-N 3.12Å |
| 285 | N | 95.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -34.1 | 177.8 | -77.1 | -63.5 | 0 | 0 | 0 | 112.9 | T267 C268 Y281 L287 L288 L289 | T267-N285 VanDerWaalsContact C-OD1 3.29Å; T267-N285 WeakPolarHBondContact CB-OD1 3.45Å; T267-N285 PolarHBondContact O-ND2 3.4Å; T267-N285 PolarHBondContact O-OD1 3Å; T267-N285 PolarHBondContact OG1-OD1 3.21Å; C268-N285 PolarHBondContact SG-OD1 3.13Å; Y281-N285 WeakPolarHBondContact CD2-ND2 3.17Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.34Å; Y281-N285 WeakPolarHBondContact O-CB 3.23Å; Y281-N285 PolarHBondContact O-N 3.28Å; Y281-N285 PolarHBondContact O-ND2 3.33Å; N285-L287 VanDerWaalsContact C-N 3.35Å; N285-L287 PolarHBondContact O-N 3.02Å; N285-L288 PolarHBondContact O-N 2.89Å; N285-L289 VanDerWaalsContact O-CG 3.29Å; N285-L289 WeakPolarHBondContact O-CG 3.45Å; N285-L289 PolarHBondContact O-N 3.16Å |
| 286 | T | 96.1 | Very high | 93.9 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 47% | 0.466 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | F282 F283 F284 L288 L289 I290 | F282-T286 VanDerWaalsContact O-CB 3.24Å; F282-T286 WeakPolarHBondContact O-CB 3.49Å; F282-T286 PolarHBondContact O-N 3.29Å; F282-T286 PolarHBondContact O-OG1 3.38Å; F283-T286 PolarHBondContact O-N 3.27Å; F284-T286 VanDerWaalsContact C-N 3.34Å; F284-T286 PolarHBondContact O-N 3.29Å; T286-L288 PolarHBondContact O-N 2.65Å; T286-L289 PolarHBondContact O-N 3.2Å; T286-I290 HydrophobicContact CG2-CD1 4.11Å; T286-I290 WeakPolarHBondContact O-CG1 3.34Å; T286-I290 PolarHBondContact O-N 3.26Å |
| 287 | L | 97.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.7 | -67.3 | 172.9 | 0 | 0 | 0 | 112.3 | V185 V188 L189 F283 F284 N285 I290 L291 | V185-L287 HydrophobicContact CG1-CD2 4.3Å; V188-L287 HydrophobicContact CB-CD1 4.47Å; V188-L287 HydrophobicContact CG1-CD1 3.65Å; L189-L287 HydrophobicContact CD1-CB 4.24Å; L189-L287 HydrophobicContact CD2-CB 3.49Å; L189-L287 VanDerWaalsContact CD2-CB 3.49Å; L189-L287 HydrophobicContact CD2-CD1 4.16Å; L189-L287 HydrophobicContact CG-CB 3.74Å; L189-L287 HydrophobicContact CG-CD1 4.25Å; F283-L287 HydrophobicContact CD1-CD1 4.28Å; F283-L287 HydrophobicContact CE1-CD1 3.68Å; F283-L287 HydrophobicContact CE2-CD1 4.04Å; F283-L287 HydrophobicContact CZ-CD1 3.56Å; F283-L287 WeakPolarHBondContact O-CG 3.36Å; F283-L287 PolarHBondContact O-N 3.46Å; F284-L287 PolarHBondContact O-N 2.72Å; N285-L287 VanDerWaalsContact C-N 3.35Å; N285-L287 PolarHBondContact O-N 3.02Å; L287-I290 PolarHBondContact O-N 3.27Å; L287-L291 PolarHBondContact O-N 2.99Å |
| 288 | L | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 174.7 | -68.9 | 174.3 | 0 | 0 | 0 | 112.2 | L189 V205 F259 V263 L264 T267 F284 N285 T286 L291 T292 | L189-L288 HydrophobicContact CD1-CD2 4.23Å; L189-L288 HydrophobicContact CD2-CD2 3.85Å; L189-L288 HydrophobicContact CD2-CG 3.98Å; V205-L288 HydrophobicContact CG2-CD2 4.25Å; F259-L288 HydrophobicContact CE2-CD2 4.26Å; F259-L288 HydrophobicContact CZ-CD2 4.12Å; V263-L288 HydrophobicContact CG1-CD1 4.12Å; V263-L288 HydrophobicContact CG1-CD2 4.41Å; L264-L288 HydrophobicContact CD2-CB 3.68Å; L264-L288 HydrophobicContact CD2-CD1 4.44Å; T267-L288 HydrophobicContact CG2-CD1 3.85Å; F284-L288 HydrophobicContact CD1-CD1 3.89Å; F284-L288 HydrophobicContact CD1-CG 4.5Å; F284-L288 HydrophobicContact CE1-CD1 3.61Å; F284-L288 HydrophobicContact CE1-CG 4.26Å; F284-L288 HydrophobicContact CZ-CD1 4.33Å; F284-L288 PolarHBondContact O-N 2.98Å; F284-L288 VanDerWaalsContact O-N 3.12Å; N285-L288 PolarHBondContact O-N 2.89Å; T286-L288 PolarHBondContact O-N 2.65Å; L288-L291 WeakPolarHBondContact O-CB 3.39Å; L288-L291 PolarHBondContact O-N 3.25Å; L288-T292 PolarHBondContact O-N 3.44Å; L288-T292 PolarHBondContact O-OG1 3.03Å; L288-T292 VanDerWaalsContact O-OG1 3.05Å |
| 289 | L | 96.9 | Very high | 95.3 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 174.8 | -71.4 | 171.7 | 0 | 0 | 0 | 112 | L264 N285 T286 L291 T292 V293 | L264-L289 HydrophobicContact CD1-CD2 4.14Å; L264-L289 HydrophobicContact CD2-CD2 4.29Å; N285-L289 VanDerWaalsContact O-CG 3.29Å; N285-L289 WeakPolarHBondContact O-CG 3.45Å; N285-L289 PolarHBondContact O-N 3.16Å; T286-L289 PolarHBondContact O-N 3.2Å; L289-L291 VanDerWaalsContact C-N 3.28Å; L289-L291 PolarHBondContact O-N 3.11Å; L289-T292 WeakPolarHBondContact O-CB 3.41Å; L289-T292 PolarHBondContact O-N 3.31Å; L289-T292 VanDerWaalsContact O-N 3.15Å; L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 3.48Å |
| 290 | I | 97.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 34% | 0.344 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 172 | -70.2 | 166.5 | 0 | 0 | 0 | 109.9 | V185 T286 L287 T292 V293 M294 | V185-I290 HydrophobicContact CG1-CG2 4.25Å; V185-I290 HydrophobicContact CG2-CG2 4.16Å; T286-I290 HydrophobicContact CG2-CD1 4.11Å; T286-I290 WeakPolarHBondContact O-CG1 3.34Å; T286-I290 PolarHBondContact O-N 3.26Å; L287-I290 PolarHBondContact O-N 3.27Å; I290-T292 VanDerWaalsContact C-N 3.34Å; I290-T292 PolarHBondContact O-N 3.47Å; I290-V293 PolarHBondContact O-N 2.78Å; I290-M294 HydrophobicContact CG2-CE 3.61Å; I290-M294 HydrophobicContact CG2-SD 4.32Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 3.36Å |
| 291 | L | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 175.6 | -175.5 | 63.4 | 0 | 0 | 0 | 111.8 | T186 L189 V205 F259 L287 L288 L289 M294 N295 | T186-L291 HydrophobicContact CG2-CD1 4.08Å; L189-L291 HydrophobicContact CD1-CB 4.43Å; L189-L291 HydrophobicContact CD1-CD2 4.04Å; V205-L291 HydrophobicContact CG1-CD2 4.17Å; F259-L291 HydrophobicContact CZ-CD2 4.17Å; L287-L291 PolarHBondContact O-N 2.99Å; L288-L291 WeakPolarHBondContact O-CB 3.39Å; L288-L291 PolarHBondContact O-N 3.25Å; L289-L291 VanDerWaalsContact C-N 3.28Å; L289-L291 PolarHBondContact O-N 3.11Å; L291-M294 PolarHBondContact O-N 3.26Å; L291-N295 PolarHBondContact O-N 3.47Å; L291-N295 PolarHBondContact O-ND2 3.29Å |
| 292 | T | 97.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 173.2 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | F259 L288 L289 I290 M294 N295 I296 | F259-T292 VanDerWaalsContact CE1-OG1 3.31Å; F259-T292 WeakPolarHBondContact CE1-OG1 3.48Å; L288-T292 PolarHBondContact O-N 3.44Å; L288-T292 PolarHBondContact O-OG1 3.03Å; L288-T292 VanDerWaalsContact O-OG1 3.05Å; L289-T292 WeakPolarHBondContact O-CB 3.41Å; L289-T292 PolarHBondContact O-N 3.31Å; L289-T292 VanDerWaalsContact O-N 3.15Å; I290-T292 VanDerWaalsContact C-N 3.34Å; I290-T292 PolarHBondContact O-N 3.47Å; T292-M294 VanDerWaalsContact C-N 3.32Å; T292-M294 PolarHBondContact O-N 2.91Å; T292-N295 WeakPolarHBondContact O-CB 3.34Å; T292-N295 PolarHBondContact O-N 3Å; T292-N295 VanDerWaalsContact O-N 3.16Å; T292-I296 HydrophobicContact CG2-CD1 4.21Å; T292-I296 WeakPolarHBondContact O-CG1 3.49Å; T292-I296 PolarHBondContact O-N 3.33Å |
| 293 | V | 97.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 47 Ų | 47 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.5 | -42.6 | 179.3 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | L289 I290 N295 I296 Y297 | L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 3.48Å; I290-V293 PolarHBondContact O-N 2.78Å; V293-N295 PolarHBondContact O-N 2.92Å; V293-I296 PolarHBondContact O-N 3.38Å; V293-Y297 PolarHBondContact O-N 3.28Å |
| 294 | M | 96.4 | Very high | 95.4 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 174.3 | -66.5 | 174.1 | 178.3 | 0 | 0 | 111.9 | V181 H182 V185 I290 L291 T292 I296 Y297 W298 | V181-M294 HydrophobicContact CB-CE 4.31Å; V181-M294 HydrophobicContact CG1-CE 3.58Å; H182-M294 HydrophobicContact CB-SD 3.82Å; V185-M294 HydrophobicContact CG2-CE 4.22Å; I290-M294 HydrophobicContact CG2-CE 3.61Å; I290-M294 HydrophobicContact CG2-SD 4.32Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 3.36Å; L291-M294 PolarHBondContact O-N 3.26Å; T292-M294 VanDerWaalsContact C-N 3.32Å; T292-M294 PolarHBondContact O-N 2.91Å; M294-I296 VanDerWaalsContact C-N 3.3Å; M294-I296 PolarHBondContact O-N 3.45Å; M294-Y297 WeakPolarHBondContact O-CB 3.24Å; M294-Y297 PolarHBondContact O-N 3.48Å; M294-W298 VanDerWaalsContact C-CE3 3.5Å; M294-W298 HydrophobicContact CB-CE3 4.09Å; M294-W298 HydrophobicContact CB-CH2 3.97Å; M294-W298 HydrophobicContact CB-CZ3 3.56Å; M294-W298 PolarHBondContact O-N 3.26Å; M294-W298 HydrophobicContact SD-CH2 4.49Å |
| 295 | N | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 176.5 | -75.2 | -38.4 | 0 | 0 | 0 | 112.7 | H209 W251 R255 L256 L291 T292 V293 F299 | H209-N295 PolarHBondContact NE2-ND2 3.24Å; W251-N295 PolarHBondContact NE1-O 3.05Å; R255-N295 HydrophobicContact CB-CB 4.39Å; R255-N295 WeakPolarHBondContact CD-OD1 3.43Å; R255-N295 PolarHBondContact NH1-OD1 3.47Å; L256-N295 HydrophobicContact CD2-CB 4.21Å; L291-N295 PolarHBondContact O-N 3.47Å; L291-N295 PolarHBondContact O-ND2 3.29Å; T292-N295 WeakPolarHBondContact O-CB 3.34Å; T292-N295 PolarHBondContact O-N 3Å; T292-N295 VanDerWaalsContact O-N 3.16Å; V293-N295 PolarHBondContact O-N 2.92Å; N295-F299 WeakPolarHBondContact O-CB 3.45Å; N295-F299 PolarHBondContact O-N 3.15Å |
| 296 | I | 96.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 47 Ų | 47 | 42% | 0.415 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 172.9 | -66.4 | 166.5 | 0 | 0 | 0 | 110 | L256 T292 V293 M294 W298 F299 L300 | L256-I296 HydrophobicContact CD2-CG1 3.79Å; T292-I296 HydrophobicContact CG2-CD1 4.21Å; T292-I296 WeakPolarHBondContact O-CG1 3.49Å; T292-I296 PolarHBondContact O-N 3.33Å; V293-I296 PolarHBondContact O-N 3.38Å; M294-I296 VanDerWaalsContact C-N 3.3Å; M294-I296 PolarHBondContact O-N 3.45Å; I296-W298 PolarHBondContact O-N 3.33Å; I296-F299 WeakPolarHBondContact O-CB 3.45Å; I296-F299 PolarHBondContact O-N 3.33Å; I296-F299 VanDerWaalsContact O-N 3.09Å; I296-L300 WeakPolarHBondContact O-CG 3.45Å; I296-L300 PolarHBondContact O-N 2.8Å |
| 297 | Y | 95.6 | Very high | 94.2 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.8 | -52 | 177.8 | 167.9 | -93.6 | 0 | 0 | 0 | 111.7 | V178 V293 M294 L300 Y301 | V178-Y297 HydrophobicContact CB-CE1 4.47Å; V178-Y297 HydrophobicContact CG1-CD1 4.27Å; V178-Y297 HydrophobicContact CG1-CE1 4.13Å; V178-Y297 HydrophobicContact CG2-CE1 4.28Å; V293-Y297 PolarHBondContact O-N 3.28Å; M294-Y297 WeakPolarHBondContact O-CB 3.24Å; M294-Y297 PolarHBondContact O-N 3.48Å; Y297-L300 WeakPolarHBondContact O-CB 3.44Å; Y297-L300 PolarHBondContact O-N 2.91Å; Y297-Y301 HydrophobicContact CD1-CE2 4.32Å; Y297-Y301 HydrophobicContact CD2-CE2 4.22Å; Y297-Y301 HydrophobicContact CE1-CD2 4.18Å; Y297-Y301 AromaticContact CE1-CE2 3.72Å; Y297-Y301 HydrophobicContact CE1-CE2 3.72Å; Y297-Y301 AromaticContact CE2-CE2 3.63Å; Y297-Y301 HydrophobicContact CE2-CE2 3.63Å; Y297-Y301 AromaticContact CZ-CE2 3.34Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.24Å; Y297-Y301 WeakPolarHBondContact OH-CE2 3.35Å; Y297-Y301 PolarHBondContact OH-OH 3.43Å |
| 298 | W | 95.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 177.8 | -69.3 | -58.6 | 0 | 0 | 0 | 113.2 | V178 M179 H182 W251 M294 I296 L300 Y301 I302 | V178-W298 HydrophobicContact CG1-CH2 4.47Å; V178-W298 HydrophobicContact CG1-CZ2 3.77Å; M179-W298 HydrophobicContact CG-CZ2 4.35Å; M179-W298 HydrophobicContact SD-CH2 4.11Å; M179-W298 HydrophobicContact SD-CZ2 3.45Å; M179-W298 WeakPolarHBondContact SD-CZ2 3.46Å; H182-W298 HydrophobicContact CB-CH2 3.65Å; H182-W298 HydrophobicContact CB-CZ2 4.35Å; H182-W298 AromaticContact CG-CH2 3.61Å; H182-W298 AromaticContact ND1-CH2 3.72Å; H182-W298 AromaticContact ND1-CZ3 3.96Å; W251-W298 HydrophobicContact CH2-CB 3.87Å; W251-W298 HydrophobicContact CH2-CD2 4.35Å; W251-W298 HydrophobicContact CH2-CE3 4.02Å; W251-W298 HydrophobicContact CH2-CG 4.34Å; W251-W298 HydrophobicContact CZ2-CB 3.5Å; W251-W298 VanDerWaalsContact CZ2-CB 3.5Å; W251-W298 HydrophobicContact CZ2-CD2 4.41Å; W251-W298 AromaticContact CZ2-CE3 3.96Å; W251-W298 HydrophobicContact CZ2-CE3 3.96Å; W251-W298 HydrophobicContact CZ2-CG 4.29Å; M294-W298 VanDerWaalsContact C-CE3 3.5Å; M294-W298 HydrophobicContact CB-CE3 4.09Å; M294-W298 HydrophobicContact CB-CH2 3.97Å; M294-W298 HydrophobicContact CB-CZ3 3.56Å; M294-W298 PolarHBondContact O-N 3.26Å; M294-W298 HydrophobicContact SD-CH2 4.49Å; I296-W298 PolarHBondContact O-N 3.33Å; W298-L300 PolarHBondContact O-N 3.25Å; W298-Y301 WeakPolarHBondContact O-CB 3.29Å; W298-Y301 PolarHBondContact O-N 3.47Å; W298-I302 WeakPolarHBondContact O-CG1 3.42Å; W298-I302 PolarHBondContact O-N 3.26Å |
| 299 | F | 95.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 175.5 | -173.2 | -116 | 0 | 0 | 0 | 112.2 | W251 F252 L256 N295 I296 Y301 I302 V303 | W251-F299 HydrophobicContact CB-CD2 4.47Å; W251-F299 AromaticContact CD1-CD2 3.42Å; W251-F299 VanDerWaalsContact CD1-CD2 3.42Å; W251-F299 AromaticContact CD1-CG 3.96Å; W251-F299 HydrophobicContact CG-CD2 4.15Å; F252-F299 HydrophobicContact CB-CE2 3.86Å; F252-F299 HydrophobicContact CB-CZ 4.02Å; F252-F299 HydrophobicContact CD2-CE1 4.24Å; F252-F299 HydrophobicContact CD2-CE2 4.48Å; F252-F299 AromaticContact CD2-CZ 3.86Å; F252-F299 HydrophobicContact CD2-CZ 3.86Å; F252-F299 HydrophobicContact CG-CZ 4.37Å; L256-F299 HydrophobicContact CD1-CB 3.76Å; L256-F299 HydrophobicContact CD1-CD1 3.33Å; L256-F299 HydrophobicContact CD1-CD2 3.97Å; L256-F299 HydrophobicContact CD1-CE1 3.83Å; L256-F299 HydrophobicContact CD1-CE2 4.4Å; L256-F299 HydrophobicContact CD1-CG 3.4Å; L256-F299 VanDerWaalsContact CD1-CG 3.4Å; L256-F299 HydrophobicContact CD1-CZ 4.33Å; N295-F299 WeakPolarHBondContact O-CB 3.45Å; N295-F299 PolarHBondContact O-N 3.15Å; I296-F299 WeakPolarHBondContact O-CB 3.45Å; I296-F299 PolarHBondContact O-N 3.33Å; I296-F299 VanDerWaalsContact O-N 3.09Å; F299-Y301 VanDerWaalsContact C-N 3.29Å; F299-Y301 PolarHBondContact O-N 2.74Å; F299-I302 WeakPolarHBondContact O-CB 3.49Å; F299-I302 PolarHBondContact O-N 3.38Å; F299-I302 VanDerWaalsContact O-N 3.1Å; F299-V303 HydrophobicContact CD1-CG2 4.03Å; F299-V303 HydrophobicContact CD2-CG2 4.45Å; F299-V303 HydrophobicContact CE1-CG2 3.62Å; F299-V303 HydrophobicContact CE2-CG2 4.09Å; F299-V303 HydrophobicContact CG-CG2 4.44Å; F299-V303 HydrophobicContact CZ-CG2 3.66Å; F299-V303 WeakPolarHBondContact O-CG2 3.33Å; F299-V303 PolarHBondContact O-N 2.86Å |
| 300 | L | 94 | Very high | 92 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 58% | 0.581 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.5 | -38.5 | 174.3 | -63.6 | 174.2 | 0 | 0 | 0 | 111.9 | I296 Y297 W298 V303 A304 | I296-L300 WeakPolarHBondContact O-CG 3.45Å; I296-L300 PolarHBondContact O-N 2.8Å; Y297-L300 WeakPolarHBondContact O-CB 3.44Å; Y297-L300 PolarHBondContact O-N 2.91Å; W298-L300 PolarHBondContact O-N 3.25Å; L300-V303 PolarHBondContact O-N 3.41Å; L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.43Å; L300-A304 PolarHBondContact O-N 3.14Å |
| 301 | Y | 91.1 | Very high | 91.2 | Very high | 92 Ų | 92 | 55 Ų | 55 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 172.5 | -77.7 | -86.3 | 0 | 0 | 0 | 112.5 | Y297 W298 F299 A304 F305 | Y297-Y301 HydrophobicContact CD1-CE2 4.32Å; Y297-Y301 HydrophobicContact CD2-CE2 4.22Å; Y297-Y301 HydrophobicContact CE1-CD2 4.18Å; Y297-Y301 AromaticContact CE1-CE2 3.72Å; Y297-Y301 HydrophobicContact CE1-CE2 3.72Å; Y297-Y301 AromaticContact CE2-CE2 3.63Å; Y297-Y301 HydrophobicContact CE2-CE2 3.63Å; Y297-Y301 AromaticContact CZ-CE2 3.34Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.24Å; Y297-Y301 WeakPolarHBondContact OH-CE2 3.35Å; Y297-Y301 PolarHBondContact OH-OH 3.43Å; W298-Y301 WeakPolarHBondContact O-CB 3.29Å; W298-Y301 PolarHBondContact O-N 3.47Å; F299-Y301 VanDerWaalsContact C-N 3.29Å; F299-Y301 PolarHBondContact O-N 2.74Å; Y301-A304 PolarHBondContact O-N 2.91Å; Y301-F305 WeakPolarHBondContact O-CB 3.43Å; Y301-F305 PolarHBondContact O-N 3.46Å |
| 302 | I | 92.1 | Very high | 90.1 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 177.7 | -62.5 | 170.9 | 0 | 0 | 0 | 110.3 | F247 C248 W251 W298 F299 F305 A306 | F247-I302 HydrophobicContact CD1-CG2 4.45Å; F247-I302 HydrophobicContact CE1-CD1 3.52Å; F247-I302 HydrophobicContact CE1-CG1 3.74Å; F247-I302 HydrophobicContact CE1-CG2 4.21Å; F247-I302 HydrophobicContact CZ-CD1 3.52Å; F247-I302 HydrophobicContact CZ-CG1 4.16Å; C248-I302 HydrophobicContact CB-CG2 3.88Å; W251-I302 HydrophobicContact CB-CD1 3.98Å; W251-I302 HydrophobicContact CD2-CD1 3.38Å; W251-I302 HydrophobicContact CE3-CD1 3.65Å; W251-I302 HydrophobicContact CG-CD1 3.54Å; W251-I302 HydrophobicContact CZ3-CD1 4.33Å; W298-I302 WeakPolarHBondContact O-CG1 3.42Å; W298-I302 PolarHBondContact O-N 3.26Å; F299-I302 WeakPolarHBondContact O-CB 3.49Å; F299-I302 PolarHBondContact O-N 3.38Å; F299-I302 VanDerWaalsContact O-N 3.1Å; I302-F305 WeakPolarHBondContact O-CB 3.28Å; I302-F305 PolarHBondContact O-N 2.85Å; I302-A306 WeakPolarHBondContact O-CB 3.22Å; I302-A306 PolarHBondContact O-N 3.38Å |
| 303 | V | 91.4 | Very high | 88.5 | Confident | 66 Ų | 66 | 64 Ų | 64 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | F299 L300 F305 A306 A307 | F299-V303 HydrophobicContact CD1-CG2 4.03Å; F299-V303 HydrophobicContact CD2-CG2 4.45Å; F299-V303 HydrophobicContact CE1-CG2 3.62Å; F299-V303 HydrophobicContact CE2-CG2 4.09Å; F299-V303 HydrophobicContact CG-CG2 4.44Å; F299-V303 HydrophobicContact CZ-CG2 3.66Å; F299-V303 WeakPolarHBondContact O-CG2 3.33Å; F299-V303 PolarHBondContact O-N 2.86Å; L300-V303 PolarHBondContact O-N 3.41Å; V303-F305 VanDerWaalsContact C-N 3.28Å; V303-F305 PolarHBondContact O-N 2.98Å; V303-A306 PolarHBondContact O-N 3.18Å; V303-A307 WeakPolarHBondContact O-CB 3.44Å; V303-A307 PolarHBondContact O-N 3.32Å |
| 304 | A | 89.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L300 Y301 K308 L320 | L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.43Å; L300-A304 PolarHBondContact O-N 3.14Å; Y301-A304 PolarHBondContact O-N 2.91Å; A304-K308 WeakPolarHBondContact O-CG 3.38Å; A304-K308 PolarHBondContact O-N 3.11Å; A304-K308 VanDerWaalsContact O-N 3.08Å; A304-L320 HydrophobicContact CB-CD1 4.32Å |
| 305 | F | 87.1 | Confident | 84.8 | Confident | 36 Ų | 36 | 72.9 Ų | 72.9 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.7 | -49.6 | 173.6 | 178.5 | -115.4 | 0 | 0 | 0 | 112 | C244 Y301 I302 V303 A307 K308 V309 M314 L317 E318 L320 | C244-F305 VanDerWaalsContact SG-CE1 3.52Å; Y301-F305 WeakPolarHBondContact O-CB 3.43Å; Y301-F305 PolarHBondContact O-N 3.46Å; I302-F305 WeakPolarHBondContact O-CB 3.28Å; I302-F305 PolarHBondContact O-N 2.85Å; V303-F305 VanDerWaalsContact C-N 3.28Å; V303-F305 PolarHBondContact O-N 2.98Å; F305-A307 VanDerWaalsContact C-N 3.29Å; F305-A307 PolarHBondContact O-N 3.32Å; F305-K308 PolarHBondContact O-N 2.84Å; F305-K308 VanDerWaalsContact O-N 3.13Å; F305-V309 HydrophobicContact CD2-CG2 4.33Å; F305-V309 HydrophobicContact CE1-CG2 4.22Å; F305-V309 HydrophobicContact CE2-CG2 4Å; F305-V309 HydrophobicContact CZ-CG2 3.97Å; F305-V309 WeakPolarHBondContact O-CG2 3.08Å; F305-V309 PolarHBondContact O-N 3.45Å; F305-M314 HydrophobicContact CD2-SD 4.25Å; F305-M314 HydrophobicContact CE2-SD 4.12Å; F305-L317 HydrophobicContact CE1-CD2 3.92Å; F305-L317 HydrophobicContact CZ-CB 4.11Å; F305-L317 HydrophobicContact CZ-CD2 3.64Å; F305-L317 HydrophobicContact CZ-CG 4.29Å; F305-E318 WeakPolarHBondContact CE2-O 3.32Å; F305-L320 HydrophobicContact CB-CD1 3.64Å; F305-L320 HydrophobicContact CB-CG 4.12Å; F305-L320 HydrophobicContact CD2-CD1 4.31Å; F305-L320 HydrophobicContact CD2-CD2 4.46Å; F305-L320 HydrophobicContact CD2-CG 3.93Å; F305-L320 HydrophobicContact CG-CD1 4.48Å; F305-L320 HydrophobicContact CG-CG 4.48Å |
| 306 | A | 87.3 | Confident | 83.1 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I302 V303 V309 L310 | I302-A306 WeakPolarHBondContact O-CB 3.22Å; I302-A306 PolarHBondContact O-N 3.38Å; V303-A306 PolarHBondContact O-N 3.18Å; A306-V309 PolarHBondContact O-N 3.08Å; A306-L310 WeakPolarHBondContact O-CB 3.5Å; A306-L310 VanDerWaalsContact O-CG 3.28Å; A306-L310 WeakPolarHBondContact O-CG 3.31Å; A306-L310 PolarHBondContact O-N 2.91Å |
| 307 | A | 86.1 | Confident | 81.4 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V303 F305 V309 L310 T311 | V303-A307 WeakPolarHBondContact O-CB 3.44Å; V303-A307 PolarHBondContact O-N 3.32Å; F305-A307 VanDerWaalsContact C-N 3.29Å; F305-A307 PolarHBondContact O-N 3.32Å; A307-V309 VanDerWaalsContact C-N 3.34Å; A307-V309 PolarHBondContact O-N 3.26Å; A307-L310 PolarHBondContact O-N 3.39Å; A307-T311 WeakPolarHBondContact O-CB 3.37Å; A307-T311 VanDerWaalsContact O-CG2 3.26Å; A307-T311 WeakPolarHBondContact O-CG2 3.18Å; A307-T311 PolarHBondContact O-N 3.34Å; A307-T311 PolarHBondContact O-OG1 2.99Å |
| 308 | K | 83.6 | Confident | 79.9 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 34% | 0.343 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 175.7 | -77.4 | -179.7 | 174.9 | -174 | 0 | 113.1 | A304 F305 T311 G312 Q313 M314 L320 | A304-K308 WeakPolarHBondContact O-CG 3.38Å; A304-K308 PolarHBondContact O-N 3.11Å; A304-K308 VanDerWaalsContact O-N 3.08Å; F305-K308 PolarHBondContact O-N 2.84Å; F305-K308 VanDerWaalsContact O-N 3.13Å; K308-T311 WeakPolarHBondContact CA-OG1 3.39Å; K308-T311 PolarHBondContact O-OG1 3.26Å; K308-G312 PolarHBondContact O-N 3.43Å; K308-Q313 PolarHBondContact O-N 3.1Å; K308-Q313 VanDerWaalsContact O-N 3.15Å; K308-M314 HydrophobicContact CB-CG 4.37Å; K308-M314 HydrophobicContact CB-SD 4.33Å; K308-M314 HydrophobicContact CD-CE 4.49Å; K308-M314 HydrophobicContact CD-SD 4.4Å; K308-M314 PolarHBondContact O-N 3.32Å; K308-L320 HydrophobicContact CD-CD1 4.42Å; K308-L320 HydrophobicContact CD-CD2 3.9Å |
| 309 | V | 82.2 | Confident | 78.4 | Confident | 55 Ų | 55 | 77.7 Ų | 77.7 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | F305 A306 A307 G312 | F305-V309 HydrophobicContact CD2-CG2 4.33Å; F305-V309 HydrophobicContact CE1-CG2 4.22Å; F305-V309 HydrophobicContact CE2-CG2 4Å; F305-V309 HydrophobicContact CZ-CG2 3.97Å; F305-V309 WeakPolarHBondContact O-CG2 3.08Å; F305-V309 PolarHBondContact O-N 3.45Å; A306-V309 PolarHBondContact O-N 3.08Å; A307-V309 VanDerWaalsContact C-N 3.34Å; A307-V309 PolarHBondContact O-N 3.26Å; V309-G312 PolarHBondContact O-N 3.45Å |
| 310 | L | 80.6 | Confident | 77.2 | Confident | 146 Ų | 146 | 77.5 Ų | 77.5 | 76% | 0.764 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.7 | -34.8 | -179.6 | -70.9 | 172.3 | 0 | 0 | 0 | 113.4 | A306 A307 G312 | A306-L310 WeakPolarHBondContact O-CB 3.5Å; A306-L310 VanDerWaalsContact O-CG 3.28Å; A306-L310 WeakPolarHBondContact O-CG 3.31Å; A306-L310 PolarHBondContact O-N 2.91Å; A307-L310 PolarHBondContact O-N 3.39Å; L310-G312 PolarHBondContact O-N 3.15Å |
| 311 | T | 81.4 | Confident | 76 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.4 | 176.8 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | A307 K308 Q313 | A307-T311 WeakPolarHBondContact O-CB 3.37Å; A307-T311 VanDerWaalsContact O-CG2 3.26Å; A307-T311 WeakPolarHBondContact O-CG2 3.18Å; A307-T311 PolarHBondContact O-N 3.34Å; A307-T311 PolarHBondContact O-OG1 2.99Å; K308-T311 WeakPolarHBondContact CA-OG1 3.39Å; K308-T311 PolarHBondContact O-OG1 3.26Å; T311-Q313 PolarHBondContact O-N 3.06Å |
| 312 | G | 72.7 | Confident | 75.2 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 63% | 0.629 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 9.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K308 V309 L310 M314 | K308-G312 PolarHBondContact O-N 3.43Å; V309-G312 PolarHBondContact O-N 3.45Å; L310-G312 PolarHBondContact O-N 3.15Å; G312-M314 PolarHBondContact O-N 3.05Å |
| 313 | Q | 65.6 | Low | 73.7 | Confident | 148 Ų | 148 | 76 Ų | 76 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | trans | -71.6 | -19.4 | 178.8 | -69.5 | -173.8 | -26.1 | 0 | 0 | 112.7 | K308 T311 | K308-Q313 PolarHBondContact O-N 3.1Å; K308-Q313 VanDerWaalsContact O-N 3.15Å; T311-Q313 PolarHBondContact O-N 3.06Å | ||
| 314 | M | 60.6 | Low | 72 | Confident | 52 Ų | 52 | 77.2 Ų | 77.2 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | trans | -119 | 113.6 | 174.4 | -79.6 | -172 | 156.9 | 0 | 0 | 111.2 | F305 K308 G312 L320 | F305-M314 HydrophobicContact CD2-SD 4.25Å; F305-M314 HydrophobicContact CE2-SD 4.12Å; K308-M314 HydrophobicContact CB-CG 4.37Å; K308-M314 HydrophobicContact CB-SD 4.33Å; K308-M314 HydrophobicContact CD-CE 4.49Å; K308-M314 HydrophobicContact CD-SD 4.4Å; K308-M314 PolarHBondContact O-N 3.32Å; G312-M314 PolarHBondContact O-N 3.05Å; M314-L320 HydrophobicContact CE-CD2 3.53Å; M314-L320 HydrophobicContact SD-CD2 4.13Å | ||
| 315 | R | 54 | Low | 70.1 | Confident | 252 Ų | 252 | 80.7 Ų | 80.7 | 95% | 0.951 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -82.5 | -17.3 | 174.6 | -134.9 | 174.9 | 79.3 | 171.9 | 3.6 | 112.8 | ||
| 316 | E | 62 | Low | 67.9 | Low | 122 Ų | 122 | 85.9 Ų | 85.9 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -127.6 | 138.1 | 174.5 | -61.7 | -161.1 | 147.8 | 0 | 0 | 110.4 | E318 | E316-E318 VanDerWaalsContact C-N 3.26Å; E316-E318 HydrophobicContact CB-CG 4.46Å; E316-E318 PolarHBondContact O-N 2.96Å |
| 317 | L | 61.3 | Low | 65.6 | Low | 28 Ų | 28 | 90.7 Ų | 90.7 | 15% | 0.147 | 46% | 0.463 | C | S | . | . | trans | -68.8 | 81.9 | 174.5 | -68.5 | 128.2 | 0 | 0 | 0 | 109.7 | I223 N241 C244 F305 | I223-L317 HydrophobicContact CD1-CB 3.83Å; I223-L317 HydrophobicContact CD1-CD1 4.43Å; I223-L317 HydrophobicContact CG1-CD1 4.47Å; N241-L317 WeakPolarHBondContact OD1-CD1 3.45Å; C244-L317 HydrophobicContact CB-CD2 3.96Å; F305-L317 HydrophobicContact CE1-CD2 3.92Å; F305-L317 HydrophobicContact CZ-CB 4.11Å; F305-L317 HydrophobicContact CZ-CD2 3.64Å; F305-L317 HydrophobicContact CZ-CG 4.29Å | ||
| 318 | E | 62.9 | Low | 63.4 | Low | 78 Ų | 78 | 92.2 Ų | 92.2 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | trans | -95.2 | 141 | 171.3 | -67.5 | -162.7 | 126 | 0 | 0 | 111.1 | R94 F305 E316 L320 | R94-E318 IonicContact CZ-OE1 2.76Å; R94-E318 IonicContact NH1-OE1 2.8Å; R94-E318 PolarHBondContact NH1-OE1 2.6Å; R94-E318 IonicContact NH2-OE1 3.7Å; R94-E318 PolarHBondContact NH2-OE1 3.39Å; F305-E318 WeakPolarHBondContact CE2-O 3.32Å; E316-E318 VanDerWaalsContact C-N 3.26Å; E316-E318 HydrophobicContact CB-CG 4.46Å; E316-E318 PolarHBondContact O-N 2.96Å; E318-L320 PolarHBondContact O-N 3.1Å | ||
| 319 | D | 64.8 | Low | 61 | Low | 42 Ų | 42 | 96.5 Ų | 96.5 | 23% | 0.225 | 50% | 0.497 | C | S | . | . | trans | -72.5 | 117.7 | -179.3 | -171.8 | -22.4 | 0 | 0 | 0 | 110.4 | R321 E322 | D319-R321 PolarHBondContact O-N 3.49Å; D319-R321 WeakPolarHBondContact OD1-CB 3.42Å; D319-R321 WeakPolarHBondContact OD1-CG 2.95Å; D319-R321 IonicContact OD1-CZ 2.83Å; D319-R321 PolarHBondContact OD1-N 2.83Å; D319-R321 VanDerWaalsContact OD1-N 3.12Å; D319-R321 IonicContact OD1-NE 3.16Å; D319-R321 PolarHBondContact OD1-NE 3.44Å; D319-R321 IonicContact OD1-NH2 3.44Å; D319-R321 IonicContact OD2-CZ 3.82Å; D319-R321 IonicContact OD2-NE 3.24Å; D319-R321 PolarHBondContact OD2-NE 2.84Å; D319-R321 IonicContact OD2-NH2 3.83Å; D319-R321 PolarHBondContact OD2-NH2 3.22Å; D319-E322 HydrophobicContact CB-CG 4.17Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.14Å | ||
| 320 | L | 70.6 | Confident | 58.7 | Low | 34 Ų | 34 | 99.1 Ų | 99.1 | 18% | 0.178 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -13.8 | -177.7 | -69.3 | -174.2 | 0 | 0 | 0 | 114.9 | A304 F305 K308 M314 E318 | A304-L320 HydrophobicContact CB-CD1 4.32Å; F305-L320 HydrophobicContact CB-CD1 3.64Å; F305-L320 HydrophobicContact CB-CG 4.12Å; F305-L320 HydrophobicContact CD2-CD1 4.31Å; F305-L320 HydrophobicContact CD2-CD2 4.46Å; F305-L320 HydrophobicContact CD2-CG 3.93Å; F305-L320 HydrophobicContact CG-CD1 4.48Å; F305-L320 HydrophobicContact CG-CG 4.48Å; K308-L320 HydrophobicContact CD-CD1 4.42Å; K308-L320 HydrophobicContact CD-CD2 3.9Å; M314-L320 HydrophobicContact CE-CD2 3.53Å; M314-L320 HydrophobicContact SD-CD2 4.13Å; E318-L320 PolarHBondContact O-N 3.1Å |
| 321 | R | 70.3 | Confident | 56.6 | Low | 40 Ų | 40 | 97.8 Ų | 97.8 | 15% | 0.151 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -9.4 | -175.9 | -54.9 | 172.5 | -64 | 170.9 | -8.5 | 112.4 | R173 K174 D175 D319 | R173-R321 WeakPolarHBondContact CB-O 3.49Å; K174-R321 WeakPolarHBondContact CB-O 3.11Å; K174-R321 WeakPolarHBondContact CG-O 3.42Å; K174-R321 PolarHBondContact N-O 3.27Å; D175-R321 VanDerWaalsContact OD2-CD 3.28Å; D175-R321 WeakPolarHBondContact OD2-CD 3.34Å; D175-R321 IonicContact OD2-CZ 2.64Å; D175-R321 IonicContact OD2-NE 3.7Å; D175-R321 IonicContact OD2-NH1 3.07Å; D175-R321 PolarHBondContact OD2-NH1 2.94Å; D319-R321 PolarHBondContact O-N 3.49Å; D319-R321 WeakPolarHBondContact OD1-CB 3.42Å; D319-R321 WeakPolarHBondContact OD1-CG 2.95Å; D319-R321 IonicContact OD1-CZ 2.83Å; D319-R321 PolarHBondContact OD1-N 2.83Å; D319-R321 VanDerWaalsContact OD1-N 3.12Å; D319-R321 IonicContact OD1-NE 3.16Å; D319-R321 PolarHBondContact OD1-NE 3.44Å; D319-R321 IonicContact OD1-NH2 3.44Å; D319-R321 IonicContact OD2-CZ 3.82Å; D319-R321 IonicContact OD2-NE 3.24Å; D319-R321 PolarHBondContact OD2-NE 2.84Å; D319-R321 IonicContact OD2-NH2 3.83Å; D319-R321 PolarHBondContact OD2-NH2 3.22Å |
| 322 | E | 72.3 | Confident | 54.2 | Low | 31 Ų | 31 | 102.6 Ų | 102.6 | 15% | 0.145 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -64.7 | 144.5 | 175.2 | -68.4 | -178.1 | -168 | 0 | 0 | 110.6 | R94 R98 K174 D319 D324 | R94-E322 IonicContact CZ-OE2 2.92Å; R94-E322 IonicContact NH2-OE2 3.24Å; R94-E322 PolarHBondContact NH2-OE2 3.5Å; R98-E322 IonicContact CZ-OE1 3.37Å; R98-E322 IonicContact CZ-OE2 2.78Å; R98-E322 VanDerWaalsContact NH1-CD 3.29Å; R98-E322 IonicContact NH1-OE1 3.15Å; R98-E322 PolarHBondContact NH1-OE1 3.01Å; R98-E322 IonicContact NH1-OE2 3.35Å; R98-E322 PolarHBondContact NH1-OE2 3.18Å; R98-E322 VanDerWaalsContact NH1-OE2 3.12Å; R98-E322 IonicContact NH2-OE1 2.73Å; R98-E322 PolarHBondContact NH2-OE1 3.39Å; R98-E322 IonicContact NH2-OE2 3.02Å; R98-E322 PolarHBondContact NH2-OE2 2.81Å; K174-E322 WeakPolarHBondContact CE-O 3.36Å; K174-E322 PolarHBondContact NZ-O 2.8Å; D319-E322 HydrophobicContact CB-CG 4.17Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.14Å; E322-D324 PolarHBondContact O-N 3.46Å |
| 323 | Y | 61.9 | Low | 52.2 | Low | 118 Ų | 118 | 105.1 Ų | 105.1 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 129.8 | 166.4 | -68.6 | -76.3 | 0 | 0 | 0 | 108 | W172 R173 K174 T325 | W172-Y323 WeakPolarHBondContact O-CD2 3.4Å; W172-Y323 WeakPolarHBondContact O-CE2 3.4Å; R173-Y323 VanDerWaalsContact CA-CE2 3.47Å; R173-Y323 PolarHBondContact O-OH 3.15Å; K174-Y323 HydrophobicContact CG-CD1 3.94Å; K174-Y323 HydrophobicContact CG-CE1 3.85Å; K174-Y323 HydrophobicContact CG-CG 4.49Å; Y323-T325 PolarHBondContact O-N 2.81Å; Y323-T325 VanDerWaalsContact O-N 3.1Å |
| 324 | D | 56.2 | Low | 50.6 | Low | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 119.3 | 175.9 | -61.1 | -67.1 | 0 | 0 | 0 | 107.2 | K174 E322 L326 E327 | K174-D324 IonicContact NZ-OD2 2.84Å; K174-D324 PolarHBondContact NZ-OD2 3.33Å; E322-D324 PolarHBondContact O-N 3.46Å; D324-L326 PolarHBondContact O-N 3.26Å; D324-E327 PolarHBondContact O-N 3.04Å |
| 325 | T | 48.6 | Very low | 49.3 | Very low | 117 Ų | 117 | 111 Ų | 111 | 72% | 0.718 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -9.8 | -174.5 | 38.9 | 0 | 0 | 0 | 0 | 113.5 | Y323 | Y323-T325 PolarHBondContact O-N 2.81Å; Y323-T325 VanDerWaalsContact O-N 3.1Å |
| 326 | L | 42 | Very low | 48.4 | Very low | 144 Ų | 144 | 103.3 Ų | 103.3 | 75% | 0.754 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -26.6 | 175.1 | -64.5 | 171.6 | 0 | 0 | 0 | 113.8 | D324 | D324-L326 PolarHBondContact O-N 3.26Š|
| 327 | E | 37.9 | Very low | 47.1 | Very low | 128 Ų | 128 | 106.5 Ų | 106.5 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -21.2 | -179.9 | -68.9 | -171 | 161.4 | 0 | 0 | 113 | D324 Q329 T330 | D324-E327 PolarHBondContact O-N 3.04Å; E327-Q329 VanDerWaalsContact C-N 3.29Å; E327-Q329 PolarHBondContact O-N 2.58Å; E327-T330 PolarHBondContact O-N 3.41Å; E327-T330 PolarHBondContact O-OG1 3.38Å |
| 328 | A | 39.8 | Very low | 45.7 | Very low | 79 Ų | 79 | 114.2 Ų | 114.2 | 65% | 0.653 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -14.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 329 | Q | 34.3 | Very low | 44.1 | Very low | 170 Ų | 170 | 116.5 Ų | 116.5 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12.3 | 174.3 | -72.3 | -169.6 | 1.7 | 0 | 0 | 113.5 | E327 | E327-Q329 VanDerWaalsContact C-N 3.29Å; E327-Q329 PolarHBondContact O-N 2.58Å |
| 330 | T | 33.8 | Very low | 42.7 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -92.9 | -7.2 | -176.7 | 38.3 | 0 | 0 | 0 | 0 | 114.5 | E327 | E327-T330 PolarHBondContact O-N 3.41Å; E327-T330 PolarHBondContact O-OG1 3.38Å |
| 331 | T | 35.1 | Very low | 40.9 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -106.6 | 33 | 178.3 | 11.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 332 | K | 31.7 | Very low | 39.1 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -130.6 | 90.1 | 153.3 | -77.6 | -172.2 | 179.3 | 178.8 | 0 | 110.5 | C334 | K332-C334 PolarHBondContact O-N 2.94Š| ||
| 333 | P | 30.5 | Very low | 37.3 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -68.5 | 108.3 | 158.6 | 26 | -22.7 | 0 | 0 | 0 | 106.9 | K335 | P333-K335 PolarHBondContact O-N 3.03Å; P333-K335 VanDerWaalsContact O-N 3.11Å | ||
| 334 | C | 32.9 | Very low | 35.9 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -48.6 | 117.3 | 160.4 | -171.4 | 0 | 0 | 0 | 0 | 106.9 | K332 A336 | K332-C334 PolarHBondContact O-N 2.94Å; C334-A336 VanDerWaalsContact C-N 3.26Å; C334-A336 PolarHBondContact O-N 3.41Å | ||
| 335 | K | 32.4 | Very low | 35 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 96.9 | 170.7 | -74.5 | -175.1 | 179.1 | -179.9 | 0 | 106.6 | P333 E337 | P333-K335 PolarHBondContact O-N 3.03Å; P333-K335 VanDerWaalsContact O-N 3.11Å; K335-E337 PolarHBondContact O-N 3.15Å | ||
| 336 | A | 35.6 | Very low | 34.2 | Very low | 90 Ų | 90 | 147.9 Ų | 147.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 104.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | C334 K338 | C334-A336 VanDerWaalsContact C-N 3.26Å; C334-A336 PolarHBondContact O-N 3.41Å; A336-K338 PolarHBondContact O-N 3.09Å | ||
| 337 | E | 34.6 | Very low | 33.9 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -57 | 124.7 | 163.3 | -103.2 | 176.2 | 158.5 | 0 | 0 | 108.4 | K335 | K335-E337 PolarHBondContact O-N 3.15Š| ||
| 338 | K | 32.4 | Very low | 33.6 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -63.2 | 139.2 | 174.8 | -72.9 | 176.3 | 176.2 | 178 | 0 | 109.2 | A336 L340 | A336-K338 PolarHBondContact O-N 3.09Å; K338-L340 PolarHBondContact O-N 3.28Å; K338-L340 VanDerWaalsContact O-N 3.12Å | ||
| 339 | P | 29.8 | Very low | 33.4 | Very low | 127 Ų | 127 | 154 Ų | 154 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -71.9 | 110.6 | 172.3 | 29.2 | -29.7 | 0 | 0 | 0 | 108.6 | R341 | P339-R341 PolarHBondContact O-N 3.22Š| ||
| 340 | L | 34.2 | Very low | 33.5 | Very low | 180 Ų | 180 | 158.7 Ų | 158.7 | 94% | 0.942 | 83% | 0.827 | S | S | * | * | trans | -68.9 | 99.7 | 166 | -93 | 156.2 | 0 | 0 | 0 | 108.2 | K338 | K338-L340 PolarHBondContact O-N 3.28Å; K338-L340 VanDerWaalsContact O-N 3.12Å | ||
| 341 | R | 32.7 | Very low | 33.4 | Very low | 227 Ų | 227 | 161.2 Ų | 161.2 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -81.2 | 111.2 | 162.4 | -163.2 | -178 | -172.6 | -167.7 | 1.9 | 106.9 | P339 | P339-R341 PolarHBondContact O-N 3.22Š| ||
| 342 | N | 33 | Very low | 33.4 | Very low | 158 Ų | 158 | 163.4 Ų | 163.4 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -168.1 | 123.7 | 140 | -91.1 | -13.2 | 0 | 0 | 0 | 108.9 | ||||
| 343 | G | 34 | Very low | 33.5 | Very low | 73 Ų | 73 | 161.8 Ų | 161.8 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | trans | -73 | 149.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 344 | L | 31.7 | Very low | 33.6 | Very low | 173 Ų | 173 | 164.6 Ų | 164.6 | 91% | 0.906 | 85% | 0.847 | S | S | * | * | trans | -158.9 | 111.5 | 140.5 | -108 | 157.3 | 0 | 0 | 0 | 107.4 | ||||
| 345 | V | 38.6 | Very low | 33.7 | Very low | 119 Ų | 119 | 167.4 Ų | 167.4 | 72% | 0.721 | 85% | 0.849 | S | S | * | * | trans | -53.6 | 131.3 | 166.4 | 172.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 346 | K | 31.2 | Very low | 33.7 | Very low | 202 Ų | 202 | 165 Ų | 165 | 88% | 0.878 | 85% | 0.847 | S | S | * | * | trans | -154.6 | 116.3 | 142.1 | -111.1 | 172.7 | -172.4 | -179.6 | 0 | 110.1 | ||||
| 347 | D | 36.1 | Very low | 33.6 | Very low | 140 Ų | 140 | 170.4 Ų | 170.4 | 75% | 0.749 | 85% | 0.854 | S | S | * | * | trans | -47.5 | 145.9 | 166 | -55 | -63.5 | 0 | 0 | 0 | 112.1 | ||||
| 348 | K | 31.9 | Very low | 33.5 | Very low | 199 Ų | 199 | 168.9 Ų | 168.9 | 87% | 0.865 | 85% | 0.852 | S | S | * | * | -173.5 | 131.9 | 117.2 | -99.1 | 175.9 | -172.4 | -167.2 | 0 | 111.7 | |||||
| 349 | L | 34.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 167.2 Ų | 167.2 | 73% | 0.728 | 85% | 0.854 | S | S | * | * | trans | -32.4 | 137.7 | 153.7 | -84.7 | 77.4 | 0 | 0 | 0 | 112.1 | ||||
| 350 | F | 36.3 | Very low | 34 | Very low | 269 Ų | 269 | 170.8 Ų | 170.8 | 100% | 1.18 | 86% | 0.857 | S | S | * | * | -166.4 | 0 | 88.1 | -93.8 | -76.2 | 0 | 0 | 0 | 110.3 |
Retrieved 350 of 350 residues in 445.8 ms
(Link to these results)