| 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 | 32.8 | Very low | 28.8 | Very low | 252 Ų | 252 | 152.9 Ų | 152.9 | 100% | 1.241 | 86% | 0.855 | S | S | * | * | 0 | 118.5 | 0 | -70.4 | -166.5 | -91.9 | 0 | 0 | 106.6 | |||||
| 2 | A | 29.3 | Very low | 28.8 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | cis | -147.3 | 145.3 | 8.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | Q | 28.8 | Very low | 29.3 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -73 | 140.5 | 165.3 | -72.2 | 166.1 | -21.5 | 0 | 0 | 108.7 | ||||
| 4 | S | 27.4 | Very low | 29.5 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | trans | -119.1 | 115.6 | 165.8 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 5 | L | 30.1 | Very low | 30 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -69.4 | 142.7 | 179.3 | -74.2 | 99.9 | 0 | 0 | 0 | 112.4 | ||||
| 6 | E | 30.1 | Very low | 30.4 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -68.8 | 150.1 | 156.2 | -70.7 | -165.7 | 152 | 0 | 0 | 111.2 | ||||
| 7 | P | 32.6 | Very low | 31.2 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -105.9 | 102.4 | 158.6 | 24.5 | -7.5 | 0 | 0 | 0 | 110.4 | ||||
| 8 | G | 26.3 | Very low | 32 | Very low | 61 Ų | 61 | 141.4 Ų | 141.4 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | trans | -70.6 | 129 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | H10 | G8-H10 PolarHBondContact O-N 3.35Š| ||
| 9 | L | 25.6 | Very low | 33 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -98.6 | 79.3 | 171.3 | -144.3 | 87.8 | 0 | 0 | 0 | 109 | ||||
| 10 | H | 26 | Very low | 34.9 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -82.6 | 109.1 | 165.4 | -77.5 | -76.4 | 0 | 0 | 0 | 109 | G8 L12 | G8-H10 PolarHBondContact O-N 3.35Å; H10-L12 HydrophobicContact CB-CG 4.21Å; H10-L12 PolarHBondContact O-N 2.81Å | ||
| 11 | L | 27.9 | Very low | 37 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -79.3 | 95.8 | 160 | -94.5 | 138.4 | 0 | 0 | 0 | 107.7 | ||||
| 12 | L | 29.2 | Very low | 39.4 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -82.8 | 127.5 | 175.5 | -70.8 | 160.8 | 0 | 0 | 0 | 110 | H10 | H10-L12 HydrophobicContact CB-CG 4.21Å; H10-L12 PolarHBondContact O-N 2.81Å | ||
| 13 | D | 34.6 | Very low | 42.2 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | trans | -83 | 135.6 | 159.3 | -169.3 | 8.9 | 0 | 0 | 0 | 108.3 | A15 | D13-A15 PolarHBondContact O-N 3.14Š| ||
| 14 | P | 32.6 | Very low | 45 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 86% | 0.857 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -71.9 | 24.8 | -170.4 | -17.4 | 32.7 | 0 | 0 | 0 | 116.7 | ||
| 15 | A | 36.4 | Very low | 48.1 | Very low | 77 Ų | 77 | 112.1 Ų | 112.1 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -135.9 | 78.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | D13 | D13-A15 PolarHBondContact O-N 3.14Š|
| 16 | G | 36.9 | Very low | 51.1 | Low | 66 Ų | 66 | 108.8 Ų | 108.8 | 68% | 0.68 | 62% | 0.617 | S | S | * | * | trans | 42.3 | 90.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | V18 | G16-V18 PolarHBondContact O-N 2.81Š| ||
| 17 | H | 44.3 | Very low | 54.1 | Low | 191 Ų | 191 | 100.3 Ų | 100.3 | 88% | 0.884 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -70.5 | 58.3 | 170.7 | -107.4 | 70.8 | 0 | 0 | 0 | 113.6 | ||
| 18 | V | 44.2 | Very low | 57.1 | Low | 123 Ų | 123 | 94.3 Ų | 94.3 | 75% | 0.745 | 54% | 0.538 | S | S | * | . | trans | -145.3 | 65.9 | 160.7 | -170.8 | 0 | 0 | 0 | 0 | 108.2 | G16 S20 | G16-V18 PolarHBondContact O-N 2.81Å; V18-S20 PolarHBondContact O-N 2.88Å | ||
| 19 | M | 51.5 | Low | 60.4 | Low | 112 Ų | 112 | 96 Ų | 96 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | trans | -71.7 | 81.3 | 150.9 | -70 | -172.3 | 74.3 | 0 | 0 | 106.4 | S21 H136 | M19-S21 PolarHBondContact O-N 2.75Å; M19-H136 WeakPolarHBondContact CE-O 3.35Å | ||
| 20 | S | 71.3 | Confident | 63.8 | Low | 39 Ų | 39 | 92 Ų | 92 | 27% | 0.273 | 50% | 0.504 | S | S | . | . | trans | -40.4 | 131.5 | -168.6 | 167.7 | 0 | 0 | 0 | 0 | 112.1 | V18 Q22 V23 Q24 | V18-S20 PolarHBondContact O-N 2.88Å; S20-Q22 CarbonylContact O-C 3.58Å; S20-Q22 PolarHBondContact O-N 3.01Å; S20-Q22 VanDerWaalsContact OG-CB 3.25Å; S20-Q22 WeakPolarHBondContact OG-CB 3.47Å; S20-Q22 PolarHBondContact OG-N 3.09Å; S20-V23 WeakPolarHBondContact O-CA 3.4Å; S20-V23 WeakPolarHBondContact O-CB 3.45Å; S20-V23 PolarHBondContact O-N 3.38Å; S20-Q24 PolarHBondContact O-N 2.79Å | ||
| 21 | S | 79.1 | Confident | 67.2 | Low | 63 Ų | 63 | 84.3 Ų | 84.3 | 44% | 0.441 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -47.9 | -27.6 | 172.4 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | M19 Q24 W25 | M19-S21 PolarHBondContact O-N 2.75Å; S21-Q24 PolarHBondContact O-N 3.15Å; S21-W25 WeakPolarHBondContact O-CB 3.49Å; S21-W25 PolarHBondContact O-N 2.84Å |
| 22 | Q | 83.4 | Confident | 70.4 | Confident | 130 Ų | 130 | 77.4 Ų | 77.4 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 172.1 | -165.9 | 169.3 | 3 | 0 | 0 | 113.2 | S20 W25 Q26 | S20-Q22 CarbonylContact O-C 3.58Å; S20-Q22 PolarHBondContact O-N 3.01Å; S20-Q22 VanDerWaalsContact OG-CB 3.25Å; S20-Q22 WeakPolarHBondContact OG-CB 3.47Å; S20-Q22 PolarHBondContact OG-N 3.09Å; Q22-W25 PolarHBondContact O-N 2.81Å; Q22-Q26 WeakPolarHBondContact O-CB 3.25Å; Q22-Q26 WeakPolarHBondContact O-CG 3.5Å; Q22-Q26 PolarHBondContact O-N 2.94Å |
| 23 | V | 87.1 | Confident | 73.6 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 35% | 0.352 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | S20 Q26 N27 H136 | S20-V23 WeakPolarHBondContact O-CA 3.4Å; S20-V23 WeakPolarHBondContact O-CB 3.45Å; S20-V23 PolarHBondContact O-N 3.38Å; V23-Q26 PolarHBondContact O-N 3.16Å; V23-N27 WeakPolarHBondContact O-CB 3.48Å; V23-N27 VanDerWaalsContact O-CG 3.22Å; V23-N27 PolarHBondContact O-N 2.93Å; V23-H136 HydrophobicContact CG1-CB 4.12Å |
| 24 | Q | 89.4 | Confident | 76.5 | Confident | 15 Ų | 15 | 67.6 Ų | 67.6 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59 | -49.3 | 174.6 | -59.2 | -173.4 | -12.5 | 0 | 0 | 110.9 | S20 S21 Q26 N27 L28 C74 R77 Y138 | S20-Q24 PolarHBondContact O-N 2.79Å; S21-Q24 PolarHBondContact O-N 3.15Å; Q24-Q26 PolarHBondContact O-N 2.82Å; Q24-N27 PolarHBondContact O-N 3.22Å; Q24-L28 WeakPolarHBondContact O-CG 3.43Å; Q24-L28 PolarHBondContact O-N 2.73Å; Q24-C74 HydrophobicContact CB-CB 4.35Å; Q24-R77 PolarHBondContact NE2-O 3.05Å; Q24-Y138 HydrophobicContact CB-CD2 4.19Å; Q24-Y138 HydrophobicContact CB-CE2 3.86Å; Q24-Y138 HydrophobicContact CG-CD2 3.69Å; Q24-Y138 HydrophobicContact CG-CE2 3.63Å |
| 25 | W | 91.3 | Very high | 79.5 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 177.2 | -170.5 | 80.9 | 0 | 0 | 0 | 112.7 | S21 Q22 N27 L28 K29 C70 C74 D194 L196 | S21-W25 WeakPolarHBondContact O-CB 3.49Å; S21-W25 PolarHBondContact O-N 2.84Å; Q22-W25 PolarHBondContact O-N 2.81Å; W25-N27 PolarHBondContact O-N 3.41Å; W25-L28 PolarHBondContact O-N 2.9Å; W25-K29 HydrophobicContact CE3-CD 4.3Å; W25-K29 HydrophobicContact CH2-CD 3.52Å; W25-K29 HydrophobicContact CZ2-CD 4.2Å; W25-K29 HydrophobicContact CZ3-CD 3.55Å; W25-K29 WeakPolarHBondContact O-CB 3.41Å; W25-K29 PolarHBondContact O-N 3.44Å; W25-C70 HydrophobicContact CB-CB 4.48Å; W25-C70 VanDerWaalsContact CD1-SG 3.57Å; W25-C70 HydrophobicContact CG-CB 4.38Å; W25-C74 WeakPolarHBondContact CB-SG 3.41Å; W25-D194 PolarHBondContact NE1-O 3.39Å; W25-L196 HydrophobicContact CZ2-CD2 3.89Å; W25-L196 HydrophobicContact CZ2-CG 4.4Å |
| 26 | Q | 92.4 | Very high | 82.2 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 179 | -69.1 | -66.1 | -11.3 | 0 | 0 | 111.8 | Q22 V23 Q24 K29 K30 | Q22-Q26 WeakPolarHBondContact O-CB 3.25Å; Q22-Q26 WeakPolarHBondContact O-CG 3.5Å; Q22-Q26 PolarHBondContact O-N 2.94Å; V23-Q26 PolarHBondContact O-N 3.16Å; Q24-Q26 PolarHBondContact O-N 2.82Å; Q26-K29 PolarHBondContact O-N 3.44Å; Q26-K30 VanDerWaalsContact O-CB 3.3Å; Q26-K30 WeakPolarHBondContact O-CB 3.42Å; Q26-K30 PolarHBondContact O-N 3.25Å |
| 27 | N | 94.3 | Very high | 84.9 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.032 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.1 | -71.3 | -10.6 | 0 | 0 | 0 | 111.1 | V23 Q24 W25 K30 F31 L135 H136 Y138 | V23-N27 WeakPolarHBondContact O-CB 3.48Å; V23-N27 VanDerWaalsContact O-CG 3.22Å; V23-N27 PolarHBondContact O-N 2.93Å; Q24-N27 PolarHBondContact O-N 3.22Å; W25-N27 PolarHBondContact O-N 3.41Å; N27-K30 PolarHBondContact O-N 2.95Å; N27-F31 WeakPolarHBondContact O-CB 3.33Å; N27-F31 PolarHBondContact O-N 3.46Å; N27-L135 HydrophobicContact CB-CD2 4.34Å; N27-L135 PolarHBondContact ND2-O 2.87Å; N27-L135 VanDerWaalsContact OD1-CD2 3.28Å; N27-L135 WeakPolarHBondContact OD1-CD2 3.46Å; N27-H136 PolarHBondContact OD1-ND1 3.27Å; N27-H136 VanDerWaalsContact OD1-ND1 3.11Å; N27-Y138 HydrophobicContact CB-CD1 4.4Å |
| 28 | L | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 176 | -75.5 | 171.7 | 0 | 0 | 0 | 112 | Q24 W25 K30 F31 L32 L73 T80 F82 Y138 I140 L196 | Q24-L28 WeakPolarHBondContact O-CG 3.43Å; Q24-L28 PolarHBondContact O-N 2.73Å; W25-L28 PolarHBondContact O-N 2.9Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 2.92Å; L28-F31 PolarHBondContact O-N 3.01Å; L28-L32 WeakPolarHBondContact O-CB 3.06Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.28Å; L28-L73 HydrophobicContact CD1-CB 3.82Å; L28-T80 HydrophobicContact CD2-CG2 4.22Å; L28-F82 HydrophobicContact CD2-CE2 3.95Å; L28-F82 HydrophobicContact CD2-CZ 4.32Å; L28-Y138 HydrophobicContact CD1-CE1 4.49Å; L28-Y138 HydrophobicContact CD2-CE1 4.05Å; L28-Y138 HydrophobicContact CG-CE1 3.99Å; L28-I140 HydrophobicContact CD2-CD1 4Å; L28-I140 HydrophobicContact CD2-CG1 4.11Å; L28-L196 HydrophobicContact CB-CD1 4.23Å |
| 29 | K | 95.7 | Very high | 89.5 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.6 | -46.1 | 176.3 | -178.7 | 175.3 | -178.8 | 177.3 | 0 | 111.5 | W25 Q26 F31 A33 L196 | W25-K29 HydrophobicContact CE3-CD 4.3Å; W25-K29 HydrophobicContact CH2-CD 3.52Å; W25-K29 HydrophobicContact CZ2-CD 4.2Å; W25-K29 HydrophobicContact CZ3-CD 3.55Å; W25-K29 WeakPolarHBondContact O-CB 3.41Å; W25-K29 PolarHBondContact O-N 3.44Å; Q26-K29 PolarHBondContact O-N 3.44Å; K29-F31 PolarHBondContact O-N 2.9Å; K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.43Å; K29-A33 PolarHBondContact O-N 3.36Å; K29-L196 HydrophobicContact CB-CD1 4.48Å; K29-L196 HydrophobicContact CB-CD2 3.82Å; K29-L196 HydrophobicContact CD-CD2 4.29Å; K29-L196 HydrophobicContact CG-CD2 3.84Å |
| 30 | K | 96.8 | Very high | 91.5 | Very high | 79 Ų | 79 | 63 Ų | 63 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 178.5 | -166.9 | -177.5 | -156.1 | -178.8 | 0 | 111.6 | Q26 N27 L28 L34 K102 F104 L135 | Q26-K30 VanDerWaalsContact O-CB 3.3Å; Q26-K30 WeakPolarHBondContact O-CB 3.42Å; Q26-K30 PolarHBondContact O-N 3.25Å; N27-K30 PolarHBondContact O-N 2.95Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 2.92Å; K30-L34 WeakPolarHBondContact O-CG 3.4Å; K30-L34 PolarHBondContact O-N 3.35Å; K30-K102 HydrophobicContact CD-CB 4.3Å; K30-K102 WeakPolarHBondContact CE-O 3.45Å; K30-K102 PolarHBondContact NZ-O 2.85Å; K30-F104 HydrophobicContact CB-CZ 4.41Å; K30-F104 HydrophobicContact CD-CE2 3.99Å; K30-F104 HydrophobicContact CD-CZ 4.37Å; K30-F104 HydrophobicContact CG-CE2 4.14Å; K30-L135 HydrophobicContact CD-CD2 4.08Å |
| 31 | F | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -46.4 | 178.9 | 177.8 | -97.2 | 0 | 0 | 0 | 112.6 | N27 L28 K29 A33 L34 A35 L42 F82 F95 F104 F133 I140 V142 | N27-F31 WeakPolarHBondContact O-CB 3.33Å; N27-F31 PolarHBondContact O-N 3.46Å; L28-F31 PolarHBondContact O-N 3.01Å; K29-F31 PolarHBondContact O-N 2.9Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 2.96Å; F31-L34 WeakPolarHBondContact O-CB 3.47Å; F31-L34 PolarHBondContact O-N 2.98Å; F31-A35 PolarHBondContact O-N 3.44Å; F31-L42 HydrophobicContact CD1-CD1 4.45Å; F31-L42 HydrophobicContact CE1-CD1 3.47Å; F31-L42 VanDerWaalsContact CE1-CD1 3.47Å; F31-L42 HydrophobicContact CZ-CD1 3.93Å; F31-F82 HydrophobicContact CE1-CD2 4.5Å; F31-F95 HydrophobicContact CE2-CE1 4.48Å; F31-F95 AromaticContact CE2-CZ 3.76Å; F31-F95 HydrophobicContact CE2-CZ 3.76Å; F31-F95 HydrophobicContact CZ-CZ 4.12Å; F31-F104 HydrophobicContact CB-CE1 4.34Å; F31-F104 HydrophobicContact CB-CE2 4.49Å; F31-F104 HydrophobicContact CB-CZ 3.81Å; F31-F104 HydrophobicContact CD2-CZ 4.5Å; F31-F133 HydrophobicContact CD2-CD2 4.42Å; F31-F133 HydrophobicContact CD2-CG 4.33Å; F31-F133 HydrophobicContact CE2-CD1 4.26Å; F31-F133 AromaticContact CE2-CD2 3.56Å; F31-F133 HydrophobicContact CE2-CD2 3.56Å; F31-F133 HydrophobicContact CE2-CE1 4.42Å; F31-F133 AromaticContact CE2-CE2 3.76Å; F31-F133 HydrophobicContact CE2-CE2 3.76Å; F31-F133 AromaticContact CE2-CG 3.85Å; F31-F133 HydrophobicContact CE2-CG 3.85Å; F31-F133 HydrophobicContact CE2-CZ 4.21Å; F31-F133 HydrophobicContact CZ-CD2 4.14Å; F31-F133 HydrophobicContact CZ-CE2 4.18Å; F31-I140 HydrophobicContact CB-CD1 3.36Å; F31-I140 HydrophobicContact CD1-CD1 3.9Å; F31-I140 HydrophobicContact CD1-CG2 3.78Å; F31-I140 HydrophobicContact CD2-CD1 4.08Å; F31-I140 HydrophobicContact CD2-CG2 4.45Å; F31-I140 HydrophobicContact CE1-CG2 3.62Å; F31-I140 HydrophobicContact CE2-CG2 4.33Å; F31-I140 HydrophobicContact CG-CD1 3.51Å; F31-I140 HydrophobicContact CG-CG2 4.2Å; F31-I140 HydrophobicContact CZ-CG2 3.93Å; F31-V142 HydrophobicContact CE1-CG2 4.31Å; F31-V142 HydrophobicContact CZ-CG2 3.63Å |
| 32 | L | 96.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 179.1 | -70.2 | 179.1 | 0 | 0 | 0 | 112 | L28 L34 A35 Q36 F82 L196 V198 | L28-L32 WeakPolarHBondContact O-CB 3.06Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.28Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.75Å; L32-A35 PolarHBondContact O-N 3.32Å; L32-Q36 WeakPolarHBondContact O-CB 2.92Å; L32-Q36 PolarHBondContact O-N 2.75Å; L32-F82 HydrophobicContact CD1-CZ 4.4Å; L32-F82 HydrophobicContact CD2-CE1 3.88Å; L32-F82 HydrophobicContact CD2-CZ 3.89Å; L32-F82 HydrophobicContact CG-CZ 4.46Å; L32-L196 HydrophobicContact CD1-CB 4.17Å; L32-L196 HydrophobicContact CD1-CD1 4.12Å; L32-V198 HydrophobicContact CD1-CG2 3.99Å |
| 33 | A | 96.4 | Very high | 93.9 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -40 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | K29 F31 F37 | K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.43Å; K29-A33 PolarHBondContact O-N 3.36Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 2.96Å; A33-F37 WeakPolarHBondContact O-CB 3.39Å; A33-F37 PolarHBondContact O-N 2.91Å |
| 34 | L | 95.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -49.6 | 171.8 | -74.8 | 171.7 | 0 | 0 | 0 | 111 | K30 F31 L32 Q36 F37 F38 F95 A98 A99 K102 F104 | K30-L34 WeakPolarHBondContact O-CG 3.4Å; K30-L34 PolarHBondContact O-N 3.35Å; F31-L34 WeakPolarHBondContact O-CB 3.47Å; F31-L34 PolarHBondContact O-N 2.98Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.75Å; L34-Q36 VanDerWaalsContact C-N 3.27Å; L34-Q36 PolarHBondContact O-N 2.9Å; L34-F37 PolarHBondContact O-N 3.39Å; L34-F37 VanDerWaalsContact O-N 3.16Å; L34-F38 WeakPolarHBondContact O-CD2 3.45Å; L34-F38 PolarHBondContact O-N 3.14Å; L34-F95 HydrophobicContact CB-CE2 4Å; L34-A98 HydrophobicContact CD2-CB 4.09Å; L34-A99 HydrophobicContact CD1-CB 4.27Å; L34-K102 HydrophobicContact CD1-CB 4.1Å; L34-K102 HydrophobicContact CD1-CG 3.93Å; L34-K102 HydrophobicContact CD2-CG 4.09Å; L34-K102 HydrophobicContact CG-CG 4.36Å; L34-F104 HydrophobicContact CD1-CD2 4.44Å; L34-F104 HydrophobicContact CD1-CE2 4.18Å |
| 35 | A | 94.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.8 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F31 L32 F38 R39 L40 L42 F95 | F31-A35 PolarHBondContact O-N 3.44Å; L32-A35 PolarHBondContact O-N 3.32Å; A35-F38 CarbonylContact O-C 3.53Å; A35-F38 PolarHBondContact O-N 2.02Å; A35-R39 PolarHBondContact O-N 3.42Å; A35-L40 HydrophobicContact CB-CB 4.22Å; A35-L40 PolarHBondContact O-N 3.35Å; A35-L42 HydrophobicContact CB-CD1 3.49Å; A35-L42 VanDerWaalsContact CB-CD1 3.49Å; A35-L42 HydrophobicContact CB-CG 4.23Å; A35-F95 HydrophobicContact CB-CE2 4.39Å |
| 36 | Q | 93.9 | Very high | 95 | Very high | 135 Ų | 135 | 47.8 Ų | 47.8 | 63% | 0.631 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64 | -44.4 | 175.6 | -175 | -179.3 | 9.9 | 0 | 0 | 112.3 | L32 L34 F38 R39 | L32-Q36 WeakPolarHBondContact O-CB 2.92Å; L32-Q36 PolarHBondContact O-N 2.75Å; L34-Q36 VanDerWaalsContact C-N 3.27Å; L34-Q36 PolarHBondContact O-N 2.9Å; Q36-F38 VanDerWaalsContact C-N 3.31Å; Q36-F38 PolarHBondContact O-N 2.95Å; Q36-R39 WeakPolarHBondContact O-CA 3.35Å; Q36-R39 PolarHBondContact O-N 3.25Å |
| 37 | F | 93.9 | Very high | 95.1 | Very high | 162 Ų | 162 | 44.2 Ų | 44.2 | 71% | 0.711 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -58.9 | -43 | 177 | 178.5 | -94.2 | 0 | 0 | 0 | 111.8 | A33 L34 R39 | A33-F37 WeakPolarHBondContact O-CB 3.39Å; A33-F37 PolarHBondContact O-N 2.91Å; L34-F37 PolarHBondContact O-N 3.39Å; L34-F37 VanDerWaalsContact O-N 3.16Å; F37-R39 PolarHBondContact O-N 2.96Å |
| 38 | F | 93.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 26% | 0.263 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 6.4 | 175 | -73.7 | -85.3 | 0 | 0 | 0 | 113.8 | L34 A35 Q36 L40 G94 F95 A98 | L34-F38 WeakPolarHBondContact O-CD2 3.45Å; L34-F38 PolarHBondContact O-N 3.14Å; A35-F38 CarbonylContact O-C 3.53Å; A35-F38 PolarHBondContact O-N 2.02Å; Q36-F38 VanDerWaalsContact C-N 3.31Å; Q36-F38 PolarHBondContact O-N 2.95Å; F38-L40 HydrophobicContact CB-CG 4.23Å; F38-L40 PolarHBondContact O-N 3.49Å; F38-G94 VanDerWaalsContact CE1-C 3.48Å; F38-G94 VanDerWaalsContact CZ-C 3.45Å; F38-G94 VanDerWaalsContact CZ-O 3.26Å; F38-G94 WeakPolarHBondContact CZ-O 3.28Å; F38-F95 HydrophobicContact CB-CB 4.33Å; F38-F95 HydrophobicContact CB-CD2 4.02Å; F38-F95 HydrophobicContact CD1-CB 4.01Å; F38-F95 HydrophobicContact CD2-CB 4.11Å; F38-F95 AromaticContact CD2-CD2 3.66Å; F38-F95 HydrophobicContact CD2-CD2 3.66Å; F38-F95 HydrophobicContact CD2-CG 4.38Å; F38-F95 HydrophobicContact CE1-CB 4.35Å; F38-F95 HydrophobicContact CE2-CB 4.45Å; F38-F95 HydrophobicContact CE2-CD2 4.37Å; F38-F95 HydrophobicContact CG-CB 3.89Å; F38-F95 AromaticContact CG-CD2 3.95Å; F38-F95 HydrophobicContact CG-CD2 3.95Å; F38-F95 HydrophobicContact CG-CG 4.41Å; F38-A98 HydrophobicContact CE2-CB 3.59Å; F38-A98 HydrophobicContact CZ-CB 3.78Å |
| 39 | R | 92.1 | Very high | 95 | Very high | 222 Ų | 222 | 45.6 Ų | 45.6 | 84% | 0.838 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 32.2 | 179.3 | -55.3 | -178.4 | -177.4 | 176.2 | 0.4 | 114.2 | A35 Q36 F37 P41 | A35-R39 PolarHBondContact O-N 3.42Å; Q36-R39 WeakPolarHBondContact O-CA 3.35Å; Q36-R39 PolarHBondContact O-N 3.25Å; F37-R39 PolarHBondContact O-N 2.96Å; R39-P41 WeakPolarHBondContact O-CD 3.44Å |
| 40 | L | 92.1 | Very high | 95 | Very high | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | trans | -74.5 | 118.4 | 176 | -64.7 | -180 | 0 | 0 | 0 | 110 | A35 F38 L42 L84 W89 F95 | A35-L40 HydrophobicContact CB-CB 4.22Å; A35-L40 PolarHBondContact O-N 3.35Å; F38-L40 HydrophobicContact CB-CG 4.23Å; F38-L40 PolarHBondContact O-N 3.49Å; L40-L42 HydrophobicContact CB-CG 4.34Å; L40-L42 PolarHBondContact O-N 3.31Å; L40-L84 HydrophobicContact CB-CD1 4.41Å; L40-W89 HydrophobicContact CD1-CE3 4.48Å; L40-W89 HydrophobicContact CD1-CZ3 4Å; L40-W89 HydrophobicContact CD2-CE3 4.08Å; L40-W89 HydrophobicContact CD2-CZ3 4.33Å; L40-F95 HydrophobicContact CD1-CB 4.5Å; L40-F95 HydrophobicContact CD1-CD1 3.81Å; L40-F95 HydrophobicContact CD1-CD2 3.6Å; L40-F95 HydrophobicContact CD1-CE1 3.83Å; L40-F95 HydrophobicContact CD1-CE2 3.64Å; L40-F95 HydrophobicContact CD1-CG 3.69Å; L40-F95 HydrophobicContact CD1-CZ 3.75Å | ||
| 41 | P | 92.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | trans | -81.1 | 60.8 | -176.8 | 33.7 | -35.9 | 0 | 0 | 0 | 111.7 | R39 L84 Q88 | R39-P41 WeakPolarHBondContact O-CD 3.44Å; P41-L84 HydrophobicContact CG-CD1 4.13Å; P41-Q88 HydrophobicContact CG-CB 3.56Å; P41-Q88 HydrophobicContact CG-CG 3.75Å | ||
| 42 | L | 95.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | trans | -65.2 | 144.2 | 175.9 | -61.9 | 178.8 | 0 | 0 | 0 | 111 | F31 A35 L40 F82 A83 L84 V142 R199 | F31-L42 HydrophobicContact CD1-CD1 4.45Å; F31-L42 HydrophobicContact CE1-CD1 3.47Å; F31-L42 VanDerWaalsContact CE1-CD1 3.47Å; F31-L42 HydrophobicContact CZ-CD1 3.93Å; A35-L42 HydrophobicContact CB-CD1 3.49Å; A35-L42 VanDerWaalsContact CB-CD1 3.49Å; A35-L42 HydrophobicContact CB-CG 4.23Å; L40-L42 HydrophobicContact CB-CG 4.34Å; L40-L42 PolarHBondContact O-N 3.31Å; L42-F82 HydrophobicContact CB-CB 4.46Å; L42-F82 HydrophobicContact CB-CD1 4.34Å; L42-F82 HydrophobicContact CD2-CB 4.47Å; L42-A83 WeakPolarHBondContact CA-O 3.37Å; L42-L84 HydrophobicContact CD2-CB 3.8Å; L42-L84 HydrophobicContact CD2-CD1 3.95Å; L42-L84 HydrophobicContact CD2-CD2 4.48Å; L42-L84 HydrophobicContact CD2-CG 4.28Å; L42-V142 HydrophobicContact CD2-CG1 3.91Å; L42-R199 WeakPolarHBondContact O-CB 3.4Å | ||
| 43 | F | 97.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149 | 166.8 | 71.6 | -88.8 | 0 | 0 | 0 | 111.1 | A45 F82 A83 L145 P186 L188 R199 P201 F207 | F43-A45 PolarHBondContact O-N 3.48Å; F43-F82 CarbonylContact O-C 3.58Å; F43-F82 VanDerWaalsContact O-CA 3.27Å; F43-F82 WeakPolarHBondContact O-CA 3.4Å; F43-A83 HydrophobicContact CD1-CB 4.02Å; F43-A83 WeakPolarHBondContact CD1-O 3.24Å; F43-A83 HydrophobicContact CD2-CB 4.33Å; F43-A83 HydrophobicContact CE1-CB 3.44Å; F43-A83 VanDerWaalsContact CE1-CB 3.44Å; F43-A83 HydrophobicContact CE2-CB 3.79Å; F43-A83 HydrophobicContact CG-CB 4.45Å; F43-A83 HydrophobicContact CZ-CB 3.33Å; F43-A83 PolarHBondContact N-O 3.4Å; F43-A83 PolarHBondContact O-N 2.85Å; F43-L145 HydrophobicContact CE1-CD1 3.9Å; F43-L145 HydrophobicContact CZ-CD1 3.62Å; F43-P186 HydrophobicContact CE2-CG 4.4Å; F43-P186 HydrophobicContact CZ-CG 4.15Å; F43-L188 HydrophobicContact CB-CD1 3.98Å; F43-L188 HydrophobicContact CB-CD2 3.84Å; F43-L188 HydrophobicContact CD1-CD1 3.84Å; F43-L188 HydrophobicContact CD1-CD2 4.13Å; F43-L188 HydrophobicContact CD2-CD2 3.8Å; F43-L188 HydrophobicContact CE2-CD2 4.32Å; F43-L188 HydrophobicContact CG-CD1 4.03Å; F43-L188 HydrophobicContact CG-CD2 3.67Å; F43-R199 CarbonylContact C-O 3.6Å; F43-R199 VanDerWaalsContact CA-O 3.24Å; F43-R199 WeakPolarHBondContact CA-O 3.4Å; F43-R199 HydrophobicContact CB-CB 3.74Å; F43-R199 WeakPolarHBondContact CB-O 3.43Å; F43-P201 HydrophobicContact CD2-CG 4.37Å; F43-P201 HydrophobicContact CE2-CG 4.47Å; F43-F207 HydrophobicContact CE2-CE2 4.14Å; F43-F207 HydrophobicContact CE2-CZ 4.04Å |
| 44 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 123.3 | -179.9 | -175.1 | 65.3 | 0 | 0 | 0 | 109.6 | D46 A49 L50 L53 L73 T80 F82 V198 R199 V200 | L44-D46 HydrophobicContact CD1-CB 3.89Å; L44-A49 HydrophobicContact CD1-CB 4.45Å; L44-A49 HydrophobicContact CD2-CB 4.02Å; L44-L50 HydrophobicContact CB-CD2 4.48Å; L44-L50 HydrophobicContact CD2-CD2 3.99Å; L44-L50 HydrophobicContact CD2-CG 4.25Å; L44-L50 HydrophobicContact CG-CD2 4.23Å; L44-L50 HydrophobicContact CG-CG 4.24Å; L44-L53 HydrophobicContact CD2-CD1 3.87Å; L44-L73 HydrophobicContact CD1-CD2 3.82Å; L44-L73 HydrophobicContact CD2-CD2 3.93Å; L44-T80 HydrophobicContact CD1-CG2 3.92Å; L44-F82 HydrophobicContact CB-CE1 4.4Å; L44-F82 HydrophobicContact CD1-CE1 4.03Å; L44-F82 HydrophobicContact CD1-CZ 4.21Å; L44-V198 HydrophobicContact CB-CG1 3.72Å; L44-V198 HydrophobicContact CD2-CG1 4.47Å; L44-R199 PolarHBondContact N-O 2.82Å; L44-V200 HydrophobicContact CB-CG1 4.21Å; L44-V200 HydrophobicContact CD2-CG1 4.28Å |
| 45 | A | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -118 | -5.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F43 S47 S81 A83 Y176 | F43-A45 PolarHBondContact O-N 3.48Å; A45-S47 PolarHBondContact O-N 3.4Å; A45-S81 CarbonylContact C-O 3.49Å; A45-S81 PolarHBondContact N-O 3.41Å; A45-A83 HydrophobicContact CB-CB 3.88Å; A45-Y176 HydrophobicContact CB-CE2 3.85Å; A45-Y176 WeakPolarHBondContact O-CE2 3.48Å; A45-Y176 PolarHBondContact O-OH 3.31Å; A45-Y176 VanDerWaalsContact O-OH 3.07Å | ||
| 46 | D | 96.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -61.2 | 116.9 | 178.1 | -168.7 | -79.8 | 0 | 0 | 0 | 111.1 | L44 A48 A49 L50 R77 T80 S81 | L44-D46 HydrophobicContact CD1-CB 3.89Å; D46-A48 VanDerWaalsContact C-N 3.33Å; D46-A48 PolarHBondContact O-N 3.46Å; D46-A48 WeakPolarHBondContact OD1-CB 3.47Å; D46-A48 PolarHBondContact OD1-N 3.5Å; D46-A48 VanDerWaalsContact OD1-N 3.08Å; D46-A49 HydrophobicContact CB-CB 4.03Å; D46-A49 PolarHBondContact O-N 3.49Å; D46-A49 PolarHBondContact OD1-N 2.8Å; D46-L50 VanDerWaalsContact O-CB 3.26Å; D46-L50 WeakPolarHBondContact O-CB 3.5Å; D46-L50 WeakPolarHBondContact O-CG 3.35Å; D46-L50 PolarHBondContact O-N 3.18Å; D46-R77 VanDerWaalsContact CG-NH1 3.34Å; D46-R77 IonicContact OD1-NH1 3.13Å; D46-R77 PolarHBondContact OD1-NH1 2.86Å; D46-R77 IonicContact OD2-CZ 3.99Å; D46-R77 IonicContact OD2-NH1 3.15Å; D46-R77 PolarHBondContact OD2-NH1 3.16Å; D46-R77 VanDerWaalsContact OD2-NH1 3.13Å; D46-T80 HydrophobicContact CB-CG2 4.08Å; D46-T80 WeakPolarHBondContact OD2-CA 3.18Å; D46-S81 PolarHBondContact N-O 2.95Å; D46-S81 PolarHBondContact OD2-N 3.36Å | ||
| 47 | S | 94.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 42 Ų | 42 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.5 | -30.2 | -171.4 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | A45 A51 D175 R211 | A45-S47 PolarHBondContact O-N 3.4Å; S47-A51 VanDerWaalsContact O-CB 3.24Å; S47-A51 WeakPolarHBondContact O-CB 3.3Å; S47-A51 PolarHBondContact O-N 2.9Å; S47-D175 WeakPolarHBondContact CB-OD2 3.47Å; S47-D175 PolarHBondContact N-OD2 3.27Å; S47-D175 PolarHBondContact OG-OD1 2.87Å; S47-D175 PolarHBondContact OG-OD2 2.83Å; S47-R211 PolarHBondContact OG-NH2 2.96Å |
| 48 | A | 93.5 | Very high | 90 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.6 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D46 L50 A51 L52 R77 | D46-A48 VanDerWaalsContact C-N 3.33Å; D46-A48 PolarHBondContact O-N 3.46Å; D46-A48 WeakPolarHBondContact OD1-CB 3.47Å; D46-A48 PolarHBondContact OD1-N 3.5Å; D46-A48 VanDerWaalsContact OD1-N 3.08Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 2.73Å; A48-A51 PolarHBondContact O-N 2.97Å; A48-L52 WeakPolarHBondContact O-CG 3.28Å; A48-L52 PolarHBondContact O-N 2.97Å; A48-R77 VanDerWaalsContact CB-NH1 3.31Å |
| 49 | A | 93.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L44 D46 L52 L53 L73 | L44-A49 HydrophobicContact CD1-CB 4.45Å; L44-A49 HydrophobicContact CD2-CB 4.02Å; D46-A49 HydrophobicContact CB-CB 4.03Å; D46-A49 PolarHBondContact O-N 3.49Å; D46-A49 PolarHBondContact OD1-N 2.8Å; A49-L52 PolarHBondContact O-N 3.35Å; A49-L53 WeakPolarHBondContact O-CG 3.27Å; A49-L53 PolarHBondContact O-N 3.44Å; A49-L73 HydrophobicContact CB-CD2 4.26Å |
| 50 | L | 95.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -40 | 174.2 | -74.3 | 176.1 | 0 | 0 | 0 | 112.5 | L44 D46 A48 L53 S54 V200 I204 F207 L208 | L44-L50 HydrophobicContact CB-CD2 4.48Å; L44-L50 HydrophobicContact CD2-CD2 3.99Å; L44-L50 HydrophobicContact CD2-CG 4.25Å; L44-L50 HydrophobicContact CG-CD2 4.23Å; L44-L50 HydrophobicContact CG-CG 4.24Å; D46-L50 VanDerWaalsContact O-CB 3.26Å; D46-L50 WeakPolarHBondContact O-CB 3.5Å; D46-L50 WeakPolarHBondContact O-CG 3.35Å; D46-L50 PolarHBondContact O-N 3.18Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 2.73Å; L50-L53 PolarHBondContact O-N 2.93Å; L50-S54 WeakPolarHBondContact O-CB 3.41Å; L50-S54 PolarHBondContact O-N 3.5Å; L50-V200 HydrophobicContact CD2-CB 4.41Å; L50-V200 HydrophobicContact CD2-CG1 4.43Å; L50-I204 HydrophobicContact CB-CG2 3.8Å; L50-I204 HydrophobicContact CD2-CD1 4.3Å; L50-I204 HydrophobicContact CD2-CG1 4.33Å; L50-I204 HydrophobicContact CD2-CG2 4.13Å; L50-I204 HydrophobicContact CG-CG2 4.47Å; L50-I204 WeakPolarHBondContact O-CG2 3.42Å; L50-F207 HydrophobicContact CD1-CD1 3.77Å; L50-F207 HydrophobicContact CD1-CE1 3.82Å; L50-L208 HydrophobicContact CB-CD2 4.07Å; L50-L208 HydrophobicContact CB-CG 4.48Å |
| 51 | A | 93.2 | Very high | 84.9 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S47 A48 S54 Q55 L208 | S47-A51 VanDerWaalsContact O-CB 3.24Å; S47-A51 WeakPolarHBondContact O-CB 3.3Å; S47-A51 PolarHBondContact O-N 2.9Å; A48-A51 PolarHBondContact O-N 2.97Å; A51-S54 PolarHBondContact O-N 3.34Å; A51-Q55 WeakPolarHBondContact O-CG 3.42Å; A51-Q55 PolarHBondContact O-N 3.3Å; A51-L208 HydrophobicContact CB-CD1 4.19Å |
| 52 | L | 91.2 | Very high | 82.8 | Confident | 61 Ų | 61 | 56 Ų | 56 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.6 | -68.9 | 172.3 | 0 | 0 | 0 | 111.5 | A48 A49 S54 Q55 D56 F72 A75 | A48-L52 WeakPolarHBondContact O-CG 3.28Å; A48-L52 PolarHBondContact O-N 2.97Å; A49-L52 PolarHBondContact O-N 3.35Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.18Å; L52-Q55 PolarHBondContact O-N 3.34Å; L52-D56 WeakPolarHBondContact O-CB 3.24Å; L52-D56 PolarHBondContact O-N 3.05Å; L52-F72 HydrophobicContact CB-CD1 3.77Å; L52-F72 HydrophobicContact CB-CE1 4.31Å; L52-A75 HydrophobicContact CD1-CB 3.99Å |
| 53 | L | 90.7 | Very high | 80.6 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -39.3 | 176.5 | -73 | 169.4 | 0 | 0 | 0 | 112.6 | L44 A49 L50 D56 A57 F72 V193 V200 I204 | L44-L53 HydrophobicContact CD2-CD1 3.87Å; A49-L53 WeakPolarHBondContact O-CG 3.27Å; A49-L53 PolarHBondContact O-N 3.44Å; L50-L53 PolarHBondContact O-N 2.93Å; L53-D56 PolarHBondContact O-N 3.48Å; L53-A57 WeakPolarHBondContact O-CB 2.75Å; L53-A57 PolarHBondContact O-N 2.57Å; L53-F72 HydrophobicContact CD2-CB 4.35Å; L53-F72 HydrophobicContact CD2-CD1 3.6Å; L53-F72 HydrophobicContact CD2-CD2 4.21Å; L53-F72 HydrophobicContact CD2-CE1 3.88Å; L53-F72 HydrophobicContact CD2-CE2 4.45Å; L53-F72 HydrophobicContact CD2-CG 3.79Å; L53-F72 HydrophobicContact CD2-CZ 4.3Å; L53-F72 HydrophobicContact CG-CB 4.46Å; L53-F72 HydrophobicContact CG-CD1 3.84Å; L53-F72 HydrophobicContact CG-CE1 4.4Å; L53-F72 HydrophobicContact CG-CG 4.24Å; L53-V193 HydrophobicContact CD1-CG1 4.43Å; L53-V193 HydrophobicContact CD1-CG2 4.1Å; L53-V193 HydrophobicContact CD2-CG1 4.04Å; L53-V193 HydrophobicContact CD2-CG2 4.1Å; L53-V200 HydrophobicContact CD1-CG1 4.27Å; L53-I204 HydrophobicContact CB-CD1 4.01Å |
| 54 | S | 87.8 | Confident | 78.1 | Confident | 20 Ų | 20 | 70.3 Ų | 70.3 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.5 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | L50 A51 L52 L58 S205 | L50-S54 WeakPolarHBondContact O-CB 3.41Å; L50-S54 PolarHBondContact O-N 3.5Å; A51-S54 PolarHBondContact O-N 3.34Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.18Å; S54-L58 WeakPolarHBondContact O-CG 3.47Å; S54-L58 PolarHBondContact O-N 3.11Å; S54-S205 PolarHBondContact OG-OG 2.79Å; S54-S205 VanDerWaalsContact OG-OG 3.05Å |
| 55 | Q | 83.8 | Confident | 75.6 | Confident | 97 Ų | 97 | 78.9 Ų | 78.9 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.8 | -70 | 173.6 | 15.5 | 0 | 0 | 112.4 | A51 L52 L58 R59 | A51-Q55 WeakPolarHBondContact O-CG 3.42Å; A51-Q55 PolarHBondContact O-N 3.3Å; L52-Q55 PolarHBondContact O-N 3.34Å; Q55-L58 WeakPolarHBondContact O-CB 3.32Å; Q55-L58 PolarHBondContact O-N 3.06Å; Q55-R59 WeakPolarHBondContact O-CG 3.26Å; Q55-R59 PolarHBondContact O-N 2.92Å; Q55-R59 VanDerWaalsContact O-N 3.09Å |
| 56 | D | 76.6 | Confident | 73.2 | Confident | 26 Ų | 26 | 86 Ų | 86 | 14% | 0.139 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 178.3 | -173.5 | 63.7 | 0 | 0 | 0 | 112 | L52 L53 L58 R59 Q60 F72 | L52-D56 WeakPolarHBondContact O-CB 3.24Å; L52-D56 PolarHBondContact O-N 3.05Å; L53-D56 PolarHBondContact O-N 3.48Å; D56-L58 PolarHBondContact O-N 2.95Å; D56-L58 VanDerWaalsContact O-N 3.15Å; D56-R59 CarbonylContact O-C 3.57Å; D56-R59 WeakPolarHBondContact O-CA 3.2Å; D56-R59 PolarHBondContact O-N 3.3Å; D56-Q60 WeakPolarHBondContact O-CG 3.24Å; D56-Q60 PolarHBondContact O-N 2.82Å; D56-Q60 WeakPolarHBondContact OD2-CG 3.41Å; D56-Q60 PolarHBondContact OD2-NE2 3.19Å; D56-F72 HydrophobicContact CB-CE1 3.64Å; D56-F72 HydrophobicContact CB-CZ 3.79Å |
| 57 | A | 71.2 | Confident | 70.8 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.6 | -30.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L53 | L53-A57 WeakPolarHBondContact O-CB 2.75Å; L53-A57 PolarHBondContact O-N 2.57Å |
| 58 | L | 65.3 | Low | 68.8 | Low | 124 Ų | 124 | 98.4 Ų | 98.4 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.8 | -35.3 | 172 | -66.5 | 168.2 | 0 | 0 | 0 | 112.3 | S54 Q55 D56 | S54-L58 WeakPolarHBondContact O-CG 3.47Å; S54-L58 PolarHBondContact O-N 3.11Å; Q55-L58 WeakPolarHBondContact O-CB 3.32Å; Q55-L58 PolarHBondContact O-N 3.06Å; D56-L58 PolarHBondContact O-N 2.95Å; D56-L58 VanDerWaalsContact O-N 3.15Å |
| 59 | R | 62.7 | Low | 67.5 | Low | 175 Ų | 175 | 103 Ų | 103 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -84 | -26.4 | -178.2 | -71.2 | 177.6 | 177.9 | -178.6 | 1.2 | 114.5 | Q55 D56 R61 D62 | Q55-R59 WeakPolarHBondContact O-CG 3.26Å; Q55-R59 PolarHBondContact O-N 2.92Å; Q55-R59 VanDerWaalsContact O-N 3.09Å; D56-R59 CarbonylContact O-C 3.57Å; D56-R59 WeakPolarHBondContact O-CA 3.2Å; D56-R59 PolarHBondContact O-N 3.3Å; R59-R61 PolarHBondContact O-N 2.8Å; R59-R61 VanDerWaalsContact O-N 3.14Å; R59-D62 WeakPolarHBondContact O-CA 3.28Å; R59-D62 WeakPolarHBondContact O-CB 3.3Å; R59-D62 PolarHBondContact O-N 3.02Å |
| 60 | Q | 55.6 | Low | 66.6 | Low | 123 Ų | 123 | 104.2 Ų | 104.2 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -6.8 | 174.4 | -73.7 | -166.4 | 5.8 | 0 | 0 | 113.1 | D56 D62 | D56-Q60 WeakPolarHBondContact O-CG 3.24Å; D56-Q60 PolarHBondContact O-N 2.82Å; D56-Q60 WeakPolarHBondContact OD2-CG 3.41Å; D56-Q60 PolarHBondContact OD2-NE2 3.19Å; Q60-D62 PolarHBondContact O-N 2.65Å |
| 61 | R | 52.7 | Low | 65.9 | Low | 222 Ų | 222 | 106.9 Ų | 106.9 | 84% | 0.838 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.3 | 160.1 | -82.8 | -176.3 | 166.5 | 179.9 | -3.7 | 113.2 | R59 | R59-R61 PolarHBondContact O-N 2.8Å; R59-R61 VanDerWaalsContact O-N 3.14Å |
| 62 | D | 48.2 | Very low | 65.6 | Low | 132 Ų | 132 | 107.3 Ų | 107.3 | 71% | 0.706 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -124.2 | 0.3 | -168.9 | -76.9 | -33.8 | 0 | 0 | 0 | 117.3 | R59 Q60 | R59-D62 WeakPolarHBondContact O-CA 3.28Å; R59-D62 WeakPolarHBondContact O-CB 3.3Å; R59-D62 PolarHBondContact O-N 3.02Å; Q60-D62 PolarHBondContact O-N 2.65Å |
| 63 | R | 49 | Very low | 65.4 | Low | 230 Ų | 230 | 104.7 Ų | 104.7 | 87% | 0.868 | 52% | 0.522 | S | S | * | . | trans | -174.3 | 155.1 | 167.3 | -104.5 | 144 | -162.6 | -147.1 | 6.9 | 115.1 | ||||
| 64 | A | 45 | Very low | 64.9 | Low | 88 Ų | 88 | 103.8 Ų | 103.8 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | trans | -96.7 | 153.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 65 | M | 43.9 | Very low | 64.2 | Low | 180 Ų | 180 | 105.7 Ų | 105.7 | 89% | 0.887 | 54% | 0.535 | S | S | * | . | trans | 75.6 | 108.8 | 166.4 | -57.5 | -123.6 | 77.1 | 0 | 0 | 117.1 | ||||
| 66 | H | 47.9 | Very low | 63.8 | Low | 149 Ų | 149 | 103.9 Ų | 103.9 | 69% | 0.69 | 54% | 0.542 | S | S | * | . | trans | -113.5 | 132.4 | 163.1 | -81.2 | 83.6 | 0 | 0 | 0 | 110 | ||||
| 67 | E | 46 | Very low | 64.4 | Low | 146 Ų | 146 | 105.6 Ų | 105.6 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | trans | -60.1 | 160.7 | 171 | -83.2 | -177.9 | 156.1 | 0 | 0 | 112.4 | H69 | E67-H69 PolarHBondContact O-N 2.97Å; E67-H69 IonicContact OE2-CD2 3.33Å | ||
| 68 | P | 51.5 | Low | 65.3 | Low | 132 Ų | 132 | 104.8 Ų | 104.8 | 86% | 0.857 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -78.6 | 49.4 | -171 | 35.3 | -37.8 | 0 | 0 | 0 | 113.4 | ||
| 69 | H | 66.6 | Low | 66.7 | Low | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | trans | -98.5 | 133 | 173.4 | -69.2 | -60.4 | 0 | 0 | 0 | 110.3 | E67 S71 | E67-H69 PolarHBondContact O-N 2.97Å; E67-H69 IonicContact OE2-CD2 3.33Å; H69-S71 PolarHBondContact O-N 2.79Å; H69-S71 PolarHBondContact O-OG 2.84Å | ||
| 70 | C | 74.1 | Confident | 68.3 | Low | 29 Ų | 29 | 90.8 Ų | 90.8 | 20% | 0.196 | 48% | 0.475 | C | S | . | . | trans | -63.9 | 106.4 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | W25 C74 D194 | W25-C70 HydrophobicContact CB-CB 4.48Å; W25-C70 VanDerWaalsContact CD1-SG 3.57Å; W25-C70 HydrophobicContact CG-CB 4.38Å; C70-C74 HydrophobicContact CB-CB 3.64Å; C70-C74 WeakPolarHBondContact CB-SG 3.23Å; C70-C74 WeakPolarHBondContact SG-CB 3.45Å; C70-C74 PolarHBondContact SG-N 2.83Å; C70-C74 CovalentContact SG-SG 2.02Å; C70-C74 PolarHBondContact SG-SG 3.27Å; C70-D194 HydrophobicContact CB-CB 4.19Å; C70-D194 VanDerWaalsContact SG-CG 3.5Å; C70-D194 PolarHBondContact SG-OD2 3.04Å | ||
| 71 | S | 81.9 | Confident | 70.3 | Confident | 57 Ų | 57 | 85 Ų | 85 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | trans | -108.1 | -25.9 | -166.5 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | H69 D194 | H69-S71 PolarHBondContact O-N 2.79Å; H69-S71 PolarHBondContact O-OG 2.84Å; S71-D194 VanDerWaalsContact N-CG 3.3Å; S71-D194 PolarHBondContact N-OD1 2.8Å; S71-D194 PolarHBondContact N-OD2 3.4Å | ||
| 72 | F | 86.9 | Confident | 72.5 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -110.5 | -50 | -172.5 | -59.4 | -84.3 | 0 | 0 | 0 | 112.4 | L52 L53 D56 V193 D194 | L52-F72 HydrophobicContact CB-CD1 3.77Å; L52-F72 HydrophobicContact CB-CE1 4.31Å; L53-F72 HydrophobicContact CD2-CB 4.35Å; L53-F72 HydrophobicContact CD2-CD1 3.6Å; L53-F72 HydrophobicContact CD2-CD2 4.21Å; L53-F72 HydrophobicContact CD2-CE1 3.88Å; L53-F72 HydrophobicContact CD2-CE2 4.45Å; L53-F72 HydrophobicContact CD2-CG 3.79Å; L53-F72 HydrophobicContact CD2-CZ 4.3Å; L53-F72 HydrophobicContact CG-CB 4.46Å; L53-F72 HydrophobicContact CG-CD1 3.84Å; L53-F72 HydrophobicContact CG-CE1 4.4Å; L53-F72 HydrophobicContact CG-CG 4.24Å; D56-F72 HydrophobicContact CB-CE1 3.64Å; D56-F72 HydrophobicContact CB-CZ 3.79Å; F72-V193 HydrophobicContact CB-CG1 3.65Å; F72-V193 HydrophobicContact CD2-CG1 4.04Å; F72-V193 HydrophobicContact CG-CG1 4.08Å; F72-D194 WeakPolarHBondContact CA-OD2 3.47Å; F72-D194 WeakPolarHBondContact CD2-OD1 3.48Å; F72-D194 PolarHBondContact N-OD1 3.48Å; F72-D194 PolarHBondContact N-OD2 3.18Å |
| 73 | L | 86.4 | Confident | 74.8 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.2 | -174 | -62.2 | 175.6 | 0 | 0 | 0 | 113.1 | L28 L44 A49 V193 D194 L196 V198 | L28-L73 HydrophobicContact CD1-CB 3.82Å; L44-L73 HydrophobicContact CD1-CD2 3.82Å; L44-L73 HydrophobicContact CD2-CD2 3.93Å; A49-L73 HydrophobicContact CB-CD2 4.26Å; L73-V193 HydrophobicContact CD1-CB 4.13Å; L73-V193 HydrophobicContact CD1-CG1 3.98Å; L73-V193 HydrophobicContact CD2-CG1 4.33Å; L73-V193 HydrophobicContact CG-CB 4.43Å; L73-V193 HydrophobicContact CG-CG1 3.77Å; L73-D194 PolarHBondContact N-OD2 3.22Å; L73-L196 HydrophobicContact CD1-CD1 4.21Å; L73-V198 HydrophobicContact CD1-CG2 4.19Å |
| 74 | C | 79.6 | Confident | 77.1 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 33.3 | -178.7 | -40.3 | 0 | 0 | 0 | 0 | 112.6 | Q24 W25 C70 G76 | Q24-C74 HydrophobicContact CB-CB 4.35Å; W25-C74 WeakPolarHBondContact CB-SG 3.41Å; C70-C74 HydrophobicContact CB-CB 3.64Å; C70-C74 WeakPolarHBondContact CB-SG 3.23Å; C70-C74 WeakPolarHBondContact SG-CB 3.45Å; C70-C74 PolarHBondContact SG-N 2.83Å; C70-C74 CovalentContact SG-SG 2.02Å; C70-C74 PolarHBondContact SG-SG 3.27Å; C74-G76 PolarHBondContact O-N 3.24Å |
| 75 | A | 73.3 | Confident | 79.4 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 49% | 0.488 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -70.2 | 28.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L52 R77 | L52-A75 HydrophobicContact CD1-CB 3.99Å; A75-R77 PolarHBondContact O-N 2.89Å |
| 76 | G | 76 | Confident | 81.7 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 73.6 | 2.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C74 | C74-G76 PolarHBondContact O-N 3.24Š|
| 77 | R | 87.5 | Confident | 83.7 | Confident | 62 Ų | 62 | 44.2 Ų | 44.2 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | trans | -69.8 | 144.9 | 172.8 | -67.3 | -172.6 | 74.3 | -169.6 | 6 | 110 | Q24 D46 A48 A75 I79 Y138 L173 D175 | Q24-R77 PolarHBondContact NE2-O 3.05Å; D46-R77 VanDerWaalsContact CG-NH1 3.34Å; D46-R77 IonicContact OD1-NH1 3.13Å; D46-R77 PolarHBondContact OD1-NH1 2.86Å; D46-R77 IonicContact OD2-CZ 3.99Å; D46-R77 IonicContact OD2-NH1 3.15Å; D46-R77 PolarHBondContact OD2-NH1 3.16Å; D46-R77 VanDerWaalsContact OD2-NH1 3.13Å; A48-R77 VanDerWaalsContact CB-NH1 3.31Å; A75-R77 PolarHBondContact O-N 2.89Å; R77-I79 PolarHBondContact O-N 3.02Å; R77-Y138 VanDerWaalsContact O-CE2 3.24Å; R77-Y138 WeakPolarHBondContact O-CE2 3.35Å; R77-L173 PolarHBondContact NH2-O 2.99Å; R77-D175 IonicContact CZ-OD1 2.79Å; R77-D175 IonicContact CZ-OD2 3.67Å; R77-D175 IonicContact NH1-OD1 3.81Å; R77-D175 IonicContact NH1-OD2 3.53Å; R77-D175 PolarHBondContact NH1-OD2 3.33Å; R77-D175 VanDerWaalsContact NH1-OD2 3.15Å; R77-D175 IonicContact NH2-OD1 3.93Å; R77-D175 PolarHBondContact NH2-OD1 3.42Å; R77-D175 IonicContact NH2-OD2 2.82Å | ||
| 78 | P | 91.7 | Very high | 85.7 | Confident | 51 Ų | 51 | 42 Ų | 42 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -78 | -3.9 | 176.6 | 31.6 | -35.5 | 0 | 0 | 0 | 113.4 | I139 P170 L173 | P78-I139 PolarHBondContact O-N 2.81Å; P78-P170 HydrophobicContact CB-CG 4.4Å; P78-P170 HydrophobicContact CG-CG 4.15Å; P78-L173 HydrophobicContact CG-CD1 3.81Å |
| 79 | I | 94.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.5 | -174.4 | -61.2 | 153.8 | 0 | 0 | 0 | 109.6 | R77 I139 H141 P170 L173 L174 | R77-I79 PolarHBondContact O-N 3.02Å; I79-I139 CarbonylContact C-O 3.52Å; I79-I139 VanDerWaalsContact CA-O 3.24Å; I79-I139 WeakPolarHBondContact CA-O 3.38Å; I79-I139 HydrophobicContact CB-CB 4.48Å; I79-I139 HydrophobicContact CG1-CB 3.86Å; I79-I139 HydrophobicContact CG1-CG1 4.39Å; I79-I139 HydrophobicContact CG1-CG2 4.25Å; I79-I139 HydrophobicContact CG2-CG2 4.46Å; I79-H141 HydrophobicContact CG2-CB 4.22Å; I79-P170 HydrophobicContact CD1-CG 3.85Å; I79-P170 HydrophobicContact CG1-CG 4.2Å; I79-L173 HydrophobicContact CD1-CB 3.62Å; I79-L174 HydrophobicContact CD1-CD2 3.82Å; I79-L174 HydrophobicContact CD1-CG 4.34Å; I79-L174 HydrophobicContact CG1-CD2 4.32Å; I79-L174 HydrophobicContact CG2-CD2 4.01Å |
| 80 | T | 95.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.4 | 156.2 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | L28 L44 D46 F82 Y138 I139 I140 H141 | L28-T80 HydrophobicContact CD2-CG2 4.22Å; L44-T80 HydrophobicContact CD1-CG2 3.92Å; D46-T80 HydrophobicContact CB-CG2 4.08Å; D46-T80 WeakPolarHBondContact OD2-CA 3.18Å; T80-F82 HydrophobicContact CG2-CD2 4.15Å; T80-F82 HydrophobicContact CG2-CE2 3.52Å; T80-F82 HydrophobicContact CG2-CZ 3.97Å; T80-Y138 PolarHBondContact OG1-OH 2.96Å; T80-I139 PolarHBondContact N-O 2.99Å; T80-I140 WeakPolarHBondContact O-CA 3.37Å; T80-H141 PolarHBondContact O-N 3.39Å |
| 81 | S | 97.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.8 | 174.5 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | A45 D46 H141 | A45-S81 CarbonylContact C-O 3.49Å; A45-S81 PolarHBondContact N-O 3.41Å; D46-S81 PolarHBondContact N-O 2.95Å; D46-S81 PolarHBondContact OD2-N 3.36Å; S81-H141 CarbonylContact C-O 3.24Å; S81-H141 VanDerWaalsContact CA-O 3.29Å; S81-H141 WeakPolarHBondContact CA-O 3.25Å; S81-H141 PolarHBondContact OG-ND1 2.88Å |
| 82 | F | 98.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 157.2 | 166.6 | -67.3 | -90.2 | 0 | 0 | 0 | 109.4 | L28 F31 L32 L42 F43 L44 T80 I140 H141 V142 V143 V198 | L28-F82 HydrophobicContact CD2-CE2 3.95Å; L28-F82 HydrophobicContact CD2-CZ 4.32Å; F31-F82 HydrophobicContact CE1-CD2 4.5Å; L32-F82 HydrophobicContact CD1-CZ 4.4Å; L32-F82 HydrophobicContact CD2-CE1 3.88Å; L32-F82 HydrophobicContact CD2-CZ 3.89Å; L32-F82 HydrophobicContact CG-CZ 4.46Å; L42-F82 HydrophobicContact CB-CB 4.46Å; L42-F82 HydrophobicContact CB-CD1 4.34Å; L42-F82 HydrophobicContact CD2-CB 4.47Å; F43-F82 CarbonylContact O-C 3.58Å; F43-F82 VanDerWaalsContact O-CA 3.27Å; F43-F82 WeakPolarHBondContact O-CA 3.4Å; L44-F82 HydrophobicContact CB-CE1 4.4Å; L44-F82 HydrophobicContact CD1-CE1 4.03Å; L44-F82 HydrophobicContact CD1-CZ 4.21Å; T80-F82 HydrophobicContact CG2-CD2 4.15Å; T80-F82 HydrophobicContact CG2-CE2 3.52Å; T80-F82 HydrophobicContact CG2-CZ 3.97Å; F82-I140 HydrophobicContact CD2-CG2 3.83Å; F82-I140 HydrophobicContact CE2-CG2 4.1Å; F82-H141 PolarHBondContact N-O 3.25Å; F82-V142 CarbonylContact O-C 3.48Å; F82-V142 WeakPolarHBondContact O-CA 3.36Å; F82-V143 PolarHBondContact O-N 3.35Å; F82-V198 HydrophobicContact CE1-CG1 4.41Å |
| 83 | A | 98 | Very high | 85.6 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L42 F43 A45 V143 L145 | L42-A83 WeakPolarHBondContact CA-O 3.37Å; F43-A83 HydrophobicContact CD1-CB 4.02Å; F43-A83 WeakPolarHBondContact CD1-O 3.24Å; F43-A83 HydrophobicContact CD2-CB 4.33Å; F43-A83 HydrophobicContact CE1-CB 3.44Å; F43-A83 VanDerWaalsContact CE1-CB 3.44Å; F43-A83 HydrophobicContact CE2-CB 3.79Å; F43-A83 HydrophobicContact CG-CB 4.45Å; F43-A83 HydrophobicContact CZ-CB 3.33Å; F43-A83 PolarHBondContact N-O 3.4Å; F43-A83 PolarHBondContact O-N 2.85Å; A45-A83 HydrophobicContact CB-CB 3.88Å; A83-V143 CarbonylContact C-O 3.51Å; A83-V143 VanDerWaalsContact CA-O 3.31Å; A83-V143 WeakPolarHBondContact CA-O 3.19Å; A83-L145 HydrophobicContact CB-CD1 3.87Å; A83-L145 HydrophobicContact CB-CG 4.12Å |
| 84 | L | 95.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 123.7 | -178.4 | -179.9 | 63.9 | 0 | 0 | 0 | 109.6 | L40 P41 L42 A86 W89 V142 V143 L144 L145 | L40-L84 HydrophobicContact CB-CD1 4.41Å; P41-L84 HydrophobicContact CG-CD1 4.13Å; L42-L84 HydrophobicContact CD2-CB 3.8Å; L42-L84 HydrophobicContact CD2-CD1 3.95Å; L42-L84 HydrophobicContact CD2-CD2 4.48Å; L42-L84 HydrophobicContact CD2-CG 4.28Å; L84-A86 PolarHBondContact O-N 2.82Å; L84-A86 VanDerWaalsContact O-N 3.16Å; L84-W89 HydrophobicContact CD2-CB 4.01Å; L84-W89 HydrophobicContact CD2-CD2 4.21Å; L84-W89 HydrophobicContact CD2-CE3 3.52Å; L84-W89 HydrophobicContact CD2-CG 4.45Å; L84-W89 HydrophobicContact CD2-CZ3 4.33Å; L84-V142 HydrophobicContact CB-CG1 3.86Å; L84-V143 PolarHBondContact N-O 3.08Å; L84-L144 HydrophobicContact CB-CD2 4.45Å; L84-L144 HydrophobicContact CD2-CD2 4.01Å; L84-L144 HydrophobicContact CG-CD2 4.36Å; L84-L144 WeakPolarHBondContact O-CA 3.31Å; L84-L145 PolarHBondContact O-N 3.36Å |
| 85 | P | 94.3 | Very high | 86.2 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 118.9 | 166.9 | -23.1 | 34.2 | 0 | 0 | 0 | 110.1 | S87 Q88 W89 | P85-S87 PolarHBondContact O-N 3.42Å; P85-Q88 HydrophobicContact CB-CB 4.49Å; P85-Q88 HydrophobicContact CB-CG 4.18Å; P85-Q88 WeakPolarHBondContact O-CB 3.5Å; P85-Q88 PolarHBondContact O-N 2.71Å; P85-W89 PolarHBondContact O-N 2.97Å |
| 86 | A | 92.6 | Very high | 87.1 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -64.4 | -25.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L84 Q88 W89 L144 L145 Y146 | L84-A86 PolarHBondContact O-N 2.82Å; L84-A86 VanDerWaalsContact O-N 3.16Å; A86-Q88 PolarHBondContact O-N 3.15Å; A86-W89 WeakPolarHBondContact O-CB 3.33Å; A86-W89 PolarHBondContact O-N 3.13Å; A86-W89 VanDerWaalsContact O-N 3.09Å; A86-L144 HydrophobicContact CB-CB 4.4Å; A86-L144 HydrophobicContact CB-CD2 3.96Å; A86-L145 WeakPolarHBondContact CB-O 3.4Å; A86-L145 PolarHBondContact N-O 3.49Å; A86-Y146 HydrophobicContact CB-CD1 3.41Å; A86-Y146 VanDerWaalsContact CB-CD1 3.41Å; A86-Y146 HydrophobicContact CB-CD2 4.02Å; A86-Y146 HydrophobicContact CB-CE1 3.28Å; A86-Y146 HydrophobicContact CB-CE2 3.88Å; A86-Y146 HydrophobicContact CB-CG 3.79Å; A86-Y146 VanDerWaalsContact CB-CZ 3.5Å |
| 87 | S | 89.7 | Confident | 87.9 | Confident | 95 Ų | 95 | 47.2 Ų | 47.2 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -64.7 | -20.9 | 172.2 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | P85 | P85-S87 PolarHBondContact O-N 3.42Š|
| 88 | Q | 87.8 | Confident | 88.3 | Confident | 99 Ų | 99 | 45 Ų | 45 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -96.4 | -5.8 | 176.4 | -60.5 | -70 | -25.5 | 0 | 0 | 111.9 | P41 P85 A86 Q90 | P41-Q88 HydrophobicContact CG-CB 3.56Å; P41-Q88 HydrophobicContact CG-CG 3.75Å; P85-Q88 HydrophobicContact CB-CB 4.49Å; P85-Q88 HydrophobicContact CB-CG 4.18Å; P85-Q88 WeakPolarHBondContact O-CB 3.5Å; P85-Q88 PolarHBondContact O-N 2.71Å; A86-Q88 PolarHBondContact O-N 3.15Å; Q88-Q90 VanDerWaalsContact C-N 3.33Å; Q88-Q90 PolarHBondContact O-N 3.08Å; Q88-Q90 VanDerWaalsContact O-N 3.08Å |
| 89 | W | 87.3 | Confident | 88.5 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | trans | -77.7 | 89.1 | 166.2 | -177 | -107.1 | 0 | 0 | 0 | 108.5 | L40 L84 P85 A86 L91 F95 L96 F131 L144 | L40-W89 HydrophobicContact CD1-CE3 4.48Å; L40-W89 HydrophobicContact CD1-CZ3 4Å; L40-W89 HydrophobicContact CD2-CE3 4.08Å; L40-W89 HydrophobicContact CD2-CZ3 4.33Å; L84-W89 HydrophobicContact CD2-CB 4.01Å; L84-W89 HydrophobicContact CD2-CD2 4.21Å; L84-W89 HydrophobicContact CD2-CE3 3.52Å; L84-W89 HydrophobicContact CD2-CG 4.45Å; L84-W89 HydrophobicContact CD2-CZ3 4.33Å; P85-W89 PolarHBondContact O-N 2.97Å; A86-W89 WeakPolarHBondContact O-CB 3.33Å; A86-W89 PolarHBondContact O-N 3.13Å; A86-W89 VanDerWaalsContact O-N 3.09Å; W89-L91 PolarHBondContact O-N 2.92Å; W89-F95 AromaticContact CH2-CD1 3.79Å; W89-F95 HydrophobicContact CH2-CD1 3.79Å; W89-F95 HydrophobicContact CH2-CE1 4.43Å; W89-F95 AromaticContact CZ3-CD1 3.8Å; W89-F95 HydrophobicContact CZ3-CD1 3.8Å; W89-F95 HydrophobicContact CZ3-CE1 4.27Å; W89-L96 HydrophobicContact CH2-CD1 4.47Å; W89-L96 HydrophobicContact CH2-CD2 3.71Å; W89-L96 HydrophobicContact CH2-CG 4.01Å; W89-L96 HydrophobicContact CZ2-CD1 4.19Å; W89-L96 HydrophobicContact CZ2-CD2 4.19Å; W89-L96 HydrophobicContact CZ2-CG 4.21Å; W89-F131 HydrophobicContact CD2-CE2 4.2Å; W89-F131 AromaticContact CE2-CE2 3.68Å; W89-F131 AromaticContact CE2-CZ 3.74Å; W89-F131 AromaticContact CH2-CE2 3.86Å; W89-F131 HydrophobicContact CH2-CE2 3.86Å; W89-F131 AromaticContact CH2-CZ 3.96Å; W89-F131 HydrophobicContact CH2-CZ 3.96Å; W89-F131 HydrophobicContact CZ2-CE1 4.21Å; W89-F131 AromaticContact CZ2-CE2 3.51Å; W89-F131 HydrophobicContact CZ2-CE2 3.51Å; W89-F131 AromaticContact CZ2-CZ 3.32Å; W89-F131 HydrophobicContact CZ2-CZ 3.32Å; W89-F131 HydrophobicContact CZ3-CE2 4.37Å; W89-L144 HydrophobicContact CB-CD2 3.9Å; W89-L144 HydrophobicContact CG-CD2 4.15Å | ||
| 90 | Q | 69.8 | Low | 88.6 | Confident | 147 Ų | 147 | 47.6 Ų | 47.6 | 69% | 0.687 | 27% | 0.268 | S | S | * | . | trans | -64 | 131.6 | 163.5 | -60.1 | -178.6 | 10.5 | 0 | 0 | 106.3 | Q88 S92 | Q88-Q90 VanDerWaalsContact C-N 3.33Å; Q88-Q90 PolarHBondContact O-N 3.08Å; Q88-Q90 VanDerWaalsContact O-N 3.08Å; Q90-S92 PolarHBondContact O-N 3.41Å | ||
| 91 | L | 64.2 | Low | 88.6 | Confident | 161 Ų | 161 | 54.4 Ų | 54.4 | 84% | 0.843 | 30% | 0.299 | S | S | * | . | trans | -60.4 | 78.9 | 168.4 | -87.5 | 116.5 | 0 | 0 | 0 | 108.3 | W89 P93 | W89-L91 PolarHBondContact O-N 2.92Å; L91-P93 VanDerWaalsContact O-CD 3.3Å; L91-P93 WeakPolarHBondContact O-CD 3.39Å | ||
| 92 | S | 62.5 | Low | 88.6 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | trans | -112.8 | 97.5 | -177.2 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | Q90 G94 F95 | Q90-S92 PolarHBondContact O-N 3.41Å; S92-G94 PolarHBondContact O-N 2.98Å; S92-G94 PolarHBondContact OG-N 3.21Å; S92-F95 PolarHBondContact O-N 3.4Å | ||
| 93 | P | 74.4 | Confident | 88.6 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 66% | 0.656 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -52 | -25.1 | 167.8 | -24.5 | 32.9 | 0 | 0 | 0 | 112 | L91 F95 L96 L97 | L91-P93 VanDerWaalsContact O-CD 3.3Å; L91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-F95 PolarHBondContact O-N 3.42Å; P93-L96 PolarHBondContact O-N 3.47Å; P93-L97 VanDerWaalsContact O-CB 3.23Å; P93-L97 WeakPolarHBondContact O-CB 3.47Å; P93-L97 PolarHBondContact O-N 2.96Å |
| 94 | G | 88.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F38 S92 A98 | F38-G94 VanDerWaalsContact CE1-C 3.48Å; F38-G94 VanDerWaalsContact CZ-C 3.45Å; F38-G94 VanDerWaalsContact CZ-O 3.26Å; F38-G94 WeakPolarHBondContact CZ-O 3.28Å; S92-G94 PolarHBondContact O-N 2.98Å; S92-G94 PolarHBondContact OG-N 3.21Å; G94-A98 WeakPolarHBondContact O-CB 3.44Å; G94-A98 PolarHBondContact O-N 2.97Å |
| 95 | F | 91.4 | Very high | 88.6 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 2% | 0.022 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 178.9 | 172.2 | -101.5 | 0 | 0 | 0 | 111.5 | F31 L34 A35 F38 L40 W89 S92 P93 A98 A99 F133 | F31-F95 HydrophobicContact CE2-CE1 4.48Å; F31-F95 AromaticContact CE2-CZ 3.76Å; F31-F95 HydrophobicContact CE2-CZ 3.76Å; F31-F95 HydrophobicContact CZ-CZ 4.12Å; L34-F95 HydrophobicContact CB-CE2 4Å; A35-F95 HydrophobicContact CB-CE2 4.39Å; F38-F95 HydrophobicContact CB-CB 4.33Å; F38-F95 HydrophobicContact CB-CD2 4.02Å; F38-F95 HydrophobicContact CD1-CB 4.01Å; F38-F95 HydrophobicContact CD2-CB 4.11Å; F38-F95 AromaticContact CD2-CD2 3.66Å; F38-F95 HydrophobicContact CD2-CD2 3.66Å; F38-F95 HydrophobicContact CD2-CG 4.38Å; F38-F95 HydrophobicContact CE1-CB 4.35Å; F38-F95 HydrophobicContact CE2-CB 4.45Å; F38-F95 HydrophobicContact CE2-CD2 4.37Å; F38-F95 HydrophobicContact CG-CB 3.89Å; F38-F95 AromaticContact CG-CD2 3.95Å; F38-F95 HydrophobicContact CG-CD2 3.95Å; F38-F95 HydrophobicContact CG-CG 4.41Å; L40-F95 HydrophobicContact CD1-CB 4.5Å; L40-F95 HydrophobicContact CD1-CD1 3.81Å; L40-F95 HydrophobicContact CD1-CD2 3.6Å; L40-F95 HydrophobicContact CD1-CE1 3.83Å; L40-F95 HydrophobicContact CD1-CE2 3.64Å; L40-F95 HydrophobicContact CD1-CG 3.69Å; L40-F95 HydrophobicContact CD1-CZ 3.75Å; W89-F95 AromaticContact CH2-CD1 3.79Å; W89-F95 HydrophobicContact CH2-CD1 3.79Å; W89-F95 HydrophobicContact CH2-CE1 4.43Å; W89-F95 AromaticContact CZ3-CD1 3.8Å; W89-F95 HydrophobicContact CZ3-CD1 3.8Å; W89-F95 HydrophobicContact CZ3-CE1 4.27Å; S92-F95 PolarHBondContact O-N 3.4Å; P93-F95 PolarHBondContact O-N 3.42Å; F95-A98 PolarHBondContact O-N 3.09Å; F95-A99 WeakPolarHBondContact O-CB 3.39Å; F95-A99 PolarHBondContact O-N 2.91Å; F95-F133 HydrophobicContact CE1-CE1 4.1Å; F95-F133 HydrophobicContact CE1-CE2 4.37Å; F95-F133 AromaticContact CE1-CZ 3.61Å; F95-F133 HydrophobicContact CE1-CZ 3.61Å; F95-F133 HydrophobicContact CZ-CZ 4.32Å |
| 96 | L | 92.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 179.8 | -60.8 | -178.6 | 0 | 0 | 0 | 110.8 | W89 P93 A98 A99 E100 L106 F131 F133 | W89-L96 HydrophobicContact CH2-CD1 4.47Å; W89-L96 HydrophobicContact CH2-CD2 3.71Å; W89-L96 HydrophobicContact CH2-CG 4.01Å; W89-L96 HydrophobicContact CZ2-CD1 4.19Å; W89-L96 HydrophobicContact CZ2-CD2 4.19Å; W89-L96 HydrophobicContact CZ2-CG 4.21Å; P93-L96 PolarHBondContact O-N 3.47Å; L96-A98 PolarHBondContact O-N 3.33Å; L96-A99 WeakPolarHBondContact O-CB 3.34Å; L96-A99 PolarHBondContact O-N 3.13Å; L96-E100 PolarHBondContact O-N 3.17Å; L96-L106 HydrophobicContact CB-CD2 4.02Å; L96-L106 HydrophobicContact CD1-CD2 4.03Å; L96-L106 HydrophobicContact CD2-CD1 4.29Å; L96-L106 HydrophobicContact CD2-CD2 3.68Å; L96-L106 HydrophobicContact CG-CD2 4.11Å; L96-F131 HydrophobicContact CD1-CE1 4.08Å; L96-F131 HydrophobicContact CD2-CD1 4.18Å; L96-F131 HydrophobicContact CD2-CE1 4.04Å; L96-F133 HydrophobicContact CD2-CE1 4.16Å; L96-F133 HydrophobicContact CD2-CZ 3.93Å |
| 97 | L | 93.2 | Very high | 88.8 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.2 | -176.8 | 67.1 | 0 | 0 | 0 | 111.9 | P93 A99 E100 Q101 | P93-L97 VanDerWaalsContact O-CB 3.23Å; P93-L97 WeakPolarHBondContact O-CB 3.47Å; P93-L97 PolarHBondContact O-N 2.96Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 2.82Å; L97-E100 PolarHBondContact O-N 3.39Å; L97-Q101 VanDerWaalsContact O-CG 3.3Å; L97-Q101 WeakPolarHBondContact O-CG 3.42Å; L97-Q101 PolarHBondContact O-N 2.89Å |
| 98 | A | 95.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 12% | 0.116 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L34 F38 G94 F95 L96 Q101 K102 | L34-A98 HydrophobicContact CD2-CB 4.09Å; F38-A98 HydrophobicContact CE2-CB 3.59Å; F38-A98 HydrophobicContact CZ-CB 3.78Å; G94-A98 WeakPolarHBondContact O-CB 3.44Å; G94-A98 PolarHBondContact O-N 2.97Å; F95-A98 PolarHBondContact O-N 3.09Å; L96-A98 PolarHBondContact O-N 3.33Å; A98-Q101 PolarHBondContact O-N 3.07Å; A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 VanDerWaalsContact O-CG 3.28Å; A98-K102 WeakPolarHBondContact O-CG 3.42Å; A98-K102 PolarHBondContact O-N 2.98Å |
| 99 | A | 95.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L34 F95 L96 L97 Q101 K102 G103 F104 F133 | L34-A99 HydrophobicContact CD1-CB 4.27Å; F95-A99 WeakPolarHBondContact O-CB 3.39Å; F95-A99 PolarHBondContact O-N 2.91Å; L96-A99 WeakPolarHBondContact O-CB 3.34Å; L96-A99 PolarHBondContact O-N 3.13Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 2.82Å; A99-Q101 PolarHBondContact O-N 2.87Å; A99-K102 CarbonylContact O-C 3.51Å; A99-K102 WeakPolarHBondContact O-CA 3.45Å; A99-K102 WeakPolarHBondContact O-CB 3.24Å; A99-K102 PolarHBondContact O-N 2.86Å; A99-G103 PolarHBondContact O-N 3.05Å; A99-F104 HydrophobicContact CB-CB 4.22Å; A99-F104 HydrophobicContact CB-CD2 4.25Å; A99-F104 WeakPolarHBondContact O-CB 3.39Å; A99-F104 WeakPolarHBondContact O-CD2 3.35Å; A99-F104 PolarHBondContact O-N 3.31Å; A99-F133 HydrophobicContact CB-CD1 4.03Å; A99-F133 HydrophobicContact CB-CE1 3.84Å |
| 100 | E | 96.3 | Very high | 89.8 | Confident | 107 Ų | 107 | 65 Ų | 65 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.2 | -69.5 | 179.9 | 142.2 | 0 | 0 | 112.4 | L96 L97 K102 G103 F104 | L96-E100 PolarHBondContact O-N 3.17Å; L97-E100 PolarHBondContact O-N 3.39Å; E100-K102 PolarHBondContact O-N 3.02Å; E100-G103 WeakPolarHBondContact O-CA 3.49Å; E100-G103 PolarHBondContact O-N 2.94Å; E100-F104 WeakPolarHBondContact CA-O 3.47Å |
| 101 | Q | 96.6 | Very high | 90.8 | Very high | 148 Ų | 148 | 58.6 Ų | 58.6 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.4 | -26.3 | 173.4 | -72.5 | 174.2 | -4.1 | 0 | 0 | 112.8 | L97 A98 A99 | L97-Q101 VanDerWaalsContact O-CG 3.3Å; L97-Q101 WeakPolarHBondContact O-CG 3.42Å; L97-Q101 PolarHBondContact O-N 2.89Å; A98-Q101 PolarHBondContact O-N 3.07Å; A99-Q101 PolarHBondContact O-N 2.87Å |
| 102 | K | 96.8 | Very high | 92 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 47% | 0.47 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 8 | 170.8 | -70.9 | -57 | -178.4 | -177.3 | 0 | 112.5 | K30 L34 A98 A99 E100 F104 | K30-K102 HydrophobicContact CD-CB 4.3Å; K30-K102 WeakPolarHBondContact CE-O 3.45Å; K30-K102 PolarHBondContact NZ-O 2.85Å; L34-K102 HydrophobicContact CD1-CB 4.1Å; L34-K102 HydrophobicContact CD1-CG 3.93Å; L34-K102 HydrophobicContact CD2-CG 4.09Å; L34-K102 HydrophobicContact CG-CG 4.36Å; A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 VanDerWaalsContact O-CG 3.28Å; A98-K102 WeakPolarHBondContact O-CG 3.42Å; A98-K102 PolarHBondContact O-N 2.98Å; A99-K102 CarbonylContact O-C 3.51Å; A99-K102 WeakPolarHBondContact O-CA 3.45Å; A99-K102 WeakPolarHBondContact O-CB 3.24Å; A99-K102 PolarHBondContact O-N 2.86Å; E100-K102 PolarHBondContact O-N 3.02Å; K102-F104 HydrophobicContact CB-CD2 4.11Å; K102-F104 HydrophobicContact CB-CE2 4.28Å |
| 103 | G | 97.4 | Very high | 93.2 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A99 E100 L135 | A99-G103 PolarHBondContact O-N 3.05Å; E100-G103 WeakPolarHBondContact O-CA 3.49Å; E100-G103 PolarHBondContact O-N 2.94Å; G103-L135 WeakPolarHBondContact O-CD1 3.42Å |
| 104 | F | 97.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -72.2 | 130.3 | 173.1 | -69.4 | -86.1 | 0 | 0 | 0 | 109.7 | K30 F31 L34 A99 E100 K102 F133 R134 L135 I140 | K30-F104 HydrophobicContact CB-CZ 4.41Å; K30-F104 HydrophobicContact CD-CE2 3.99Å; K30-F104 HydrophobicContact CD-CZ 4.37Å; K30-F104 HydrophobicContact CG-CE2 4.14Å; F31-F104 HydrophobicContact CB-CE1 4.34Å; F31-F104 HydrophobicContact CB-CE2 4.49Å; F31-F104 HydrophobicContact CB-CZ 3.81Å; F31-F104 HydrophobicContact CD2-CZ 4.5Å; L34-F104 HydrophobicContact CD1-CD2 4.44Å; L34-F104 HydrophobicContact CD1-CE2 4.18Å; A99-F104 HydrophobicContact CB-CB 4.22Å; A99-F104 HydrophobicContact CB-CD2 4.25Å; A99-F104 WeakPolarHBondContact O-CB 3.39Å; A99-F104 WeakPolarHBondContact O-CD2 3.35Å; A99-F104 PolarHBondContact O-N 3.31Å; E100-F104 WeakPolarHBondContact CA-O 3.47Å; K102-F104 HydrophobicContact CB-CD2 4.11Å; K102-F104 HydrophobicContact CB-CE2 4.28Å; F104-F133 HydrophobicContact CB-CB 4.41Å; F104-F133 HydrophobicContact CB-CD1 4.21Å; F104-F133 HydrophobicContact CD1-CB 3.79Å; F104-F133 HydrophobicContact CE1-CB 4.48Å; F104-F133 HydrophobicContact CG-CB 4.37Å; F104-R134 WeakPolarHBondContact CA-O 3.47Å; F104-L135 HydrophobicContact CD1-CB 3.49Å; F104-L135 VanDerWaalsContact CD1-CB 3.49Å; F104-L135 HydrophobicContact CD1-CD2 4.12Å; F104-L135 HydrophobicContact CD1-CG 4.38Å; F104-L135 HydrophobicContact CD2-CD2 4.43Å; F104-L135 HydrophobicContact CE1-CB 3.57Å; F104-L135 HydrophobicContact CE1-CD2 3.66Å; F104-L135 HydrophobicContact CE1-CG 4.25Å; F104-L135 HydrophobicContact CE2-CD2 4.01Å; F104-L135 HydrophobicContact CG-CB 4.27Å; F104-L135 HydrophobicContact CG-CD2 4.48Å; F104-L135 HydrophobicContact CZ-CB 4.38Å; F104-L135 HydrophobicContact CZ-CD2 3.59Å; F104-I140 HydrophobicContact CE1-CD1 4.11Å | ||
| 105 | Q | 97.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 47% | 0.467 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 140.3 | 163.1 | -63 | 173 | -7.4 | 0 | 0 | 108.3 | F133 R134 F168 | Q105-F133 CarbonylContact O-C 3.52Å; Q105-F133 WeakPolarHBondContact O-CA 3.3Å; Q105-R134 HydrophobicContact CB-CB 4.29Å; Q105-R134 PolarHBondContact N-O 3.2Å; Q105-R134 PolarHBondContact O-N 2.96Å; Q105-F168 HydrophobicContact CB-CE2 4.02Å; Q105-F168 HydrophobicContact CB-CZ 4.25Å |
| 106 | L | 95.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.8 | -174.4 | 178.1 | 62.7 | 0 | 0 | 0 | 111.3 | L96 F131 L132 F133 | L96-L106 HydrophobicContact CB-CD2 4.02Å; L96-L106 HydrophobicContact CD1-CD2 4.03Å; L96-L106 HydrophobicContact CD2-CD1 4.29Å; L96-L106 HydrophobicContact CD2-CD2 3.68Å; L96-L106 HydrophobicContact CG-CD2 4.11Å; L106-F131 HydrophobicContact CD1-CB 4.27Å; L106-F131 HydrophobicContact CD1-CD1 3.9Å; L106-L132 WeakPolarHBondContact CA-O 3.15Å; L106-F133 HydrophobicContact CD1-CD1 3.86Å; L106-F133 HydrophobicContact CD1-CE1 3.48Å; L106-F133 VanDerWaalsContact CD1-CE1 3.48Å; L106-F133 HydrophobicContact CD1-CE2 4.24Å; L106-F133 HydrophobicContact CD1-CG 4.38Å; L106-F133 HydrophobicContact CD1-CZ 3.66Å |
| 107 | L | 95.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 113.8 | 161.9 | 176.4 | 65 | 0 | 0 | 0 | 109.1 | V109 F131 L132 L160 F168 F171 | L107-V109 HydrophobicContact CD2-CG2 4.35Å; L107-V109 HydrophobicContact CG-CG2 4.19Å; L107-F131 WeakPolarHBondContact O-CA 3.26Å; L107-L132 HydrophobicContact CB-CB 4.32Å; L107-L132 PolarHBondContact N-O 3.38Å; L107-L132 PolarHBondContact O-N 2.95Å; L107-L160 HydrophobicContact CD2-CD2 4.07Å; L107-F168 HydrophobicContact CB-CD1 3.73Å; L107-F168 HydrophobicContact CB-CD2 4.28Å; L107-F168 HydrophobicContact CB-CE1 3.52Å; L107-F168 HydrophobicContact CB-CE2 4.07Å; L107-F168 HydrophobicContact CB-CG 4.12Å; L107-F168 HydrophobicContact CB-CZ 3.69Å; L107-F168 HydrophobicContact CD2-CB 4.2Å; L107-F168 HydrophobicContact CD2-CD1 3.82Å; L107-F168 HydrophobicContact CD2-CE1 4.44Å; L107-F168 HydrophobicContact CD2-CG 4.02Å; L107-F168 HydrophobicContact CG-CD1 4.45Å; L107-F171 HydrophobicContact CD2-CE1 4.14Å; L107-F171 HydrophobicContact CD2-CZ 3.79Å |
| 108 | E | 94.8 | Very high | 90.8 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.4 | 167.8 | -178 | -177.2 | 151.7 | 0 | 0 | 109.6 | R110 P128 F131 | E108-R110 HydrophobicContact CG-CG 4.01Å; E108-R110 WeakPolarHBondContact OE1-CD 3.48Å; E108-R110 WeakPolarHBondContact OE1-CG 3.29Å; E108-R110 IonicContact OE1-CZ 4Å; E108-R110 IonicContact OE1-NE 3.58Å; E108-R110 IonicContact OE1-NH1 3.89Å; E108-R110 PolarHBondContact OE1-NH1 2.77Å; E108-P128 HydrophobicContact CG-CB 4.35Å; E108-F131 HydrophobicContact CB-CD1 3.83Å; E108-F131 HydrophobicContact CB-CE1 3.71Å; E108-F131 HydrophobicContact CG-CD1 3.88Å; E108-F131 HydrophobicContact CG-CE1 3.41Å; E108-F131 VanDerWaalsContact CG-CE1 3.41Å; E108-F131 HydrophobicContact CG-CZ 4.1Å |
| 109 | V | 95.5 | Very high | 90 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119 | 171.2 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | L107 L129 H130 L132 L158 R159 L160 | L107-V109 HydrophobicContact CD2-CG2 4.35Å; L107-V109 HydrophobicContact CG-CG2 4.19Å; V109-L129 PolarHBondContact O-N 3.31Å; V109-H130 HydrophobicContact CB-CB 4.25Å; V109-H130 PolarHBondContact N-O 3.01Å; V109-H130 PolarHBondContact O-N 3.21Å; V109-L132 HydrophobicContact CG2-CD1 4.13Å; V109-L158 HydrophobicContact CB-CG 4.3Å; V109-L158 HydrophobicContact CG1-CD2 4.37Å; V109-L158 HydrophobicContact CG1-CG 4.02Å; V109-L158 HydrophobicContact CG2-CD1 4.32Å; V109-L158 HydrophobicContact CG2-CD2 4.23Å; V109-L158 HydrophobicContact CG2-CG 3.99Å; V109-R159 WeakPolarHBondContact CG1-O 3.4Å; V109-L160 HydrophobicContact CG2-CD2 4.21Å |
| 110 | R | 94.3 | Very high | 88.9 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 158.6 | 176 | -57.7 | -177.5 | 74.7 | 101.1 | -8.8 | 111 | E108 E126 I127 | E108-R110 HydrophobicContact CG-CG 4.01Å; E108-R110 WeakPolarHBondContact OE1-CD 3.48Å; E108-R110 WeakPolarHBondContact OE1-CG 3.29Å; E108-R110 IonicContact OE1-CZ 4Å; E108-R110 IonicContact OE1-NE 3.58Å; E108-R110 IonicContact OE1-NH1 3.89Å; E108-R110 PolarHBondContact OE1-NH1 2.77Å; R110-E126 HydrophobicContact CB-CB 4.44Å; R110-E126 PolarHBondContact NH2-O 2.8Å; R110-I127 CarbonylContact C-O 3.51Å; R110-I127 WeakPolarHBondContact CA-O 3.49Å; R110-I127 WeakPolarHBondContact CB-O 3.43Å |
| 111 | G | 91.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 174.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | E126 I127 | G111-E126 WeakPolarHBondContact CA-OE1 3.44Å; G111-E126 WeakPolarHBondContact CA-OE2 3.34Å; G111-E126 PolarHBondContact N-OE2 3.22Å; G111-E126 CarbonylContact O-C 3.42Å; G111-E126 WeakPolarHBondContact O-CA 3.5Å; G111-I127 PolarHBondContact N-O 3.18Å; G111-I127 WeakPolarHBondContact O-CG1 3.42Å; G111-I127 PolarHBondContact O-N 3.05Å |
| 112 | R | 89.1 | Confident | 86.8 | Confident | 161 Ų | 161 | 59.1 Ų | 59.1 | 61% | 0.608 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 137.4 | -176.5 | -62.7 | -174.3 | -178 | -157.7 | 2 | 111.6 | P114 L122 E125 E126 | R112-P114 WeakPolarHBondContact O-CD 3.27Å; R112-L122 PolarHBondContact NH1-O 2.92Å; R112-L122 VanDerWaalsContact NH1-O 3.1Å; R112-E125 CarbonylContact C-O 3.55Å; R112-E126 WeakPolarHBondContact CG-OE1 3.47Å; R112-E126 PolarHBondContact N-OE1 2.85Å |
| 113 | D | 87.1 | Confident | 85 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | trans | -74.5 | 108.4 | 171.3 | -167.4 | -15.4 | 0 | 0 | 0 | 110.5 | R115 L116 A117 E125 I127 | D113-R115 PolarHBondContact O-N 3.49Å; D113-R115 WeakPolarHBondContact OD1-CB 3.38Å; D113-R115 VanDerWaalsContact OD1-CG 3.26Å; D113-R115 WeakPolarHBondContact OD1-CG 3.43Å; D113-R115 IonicContact OD1-CZ 2.88Å; D113-R115 PolarHBondContact OD1-N 3.49Å; D113-R115 IonicContact OD1-NE 2.8Å; D113-R115 PolarHBondContact OD1-NE 2.9Å; D113-R115 IonicContact OD1-NH2 3.37Å; D113-R115 IonicContact OD2-CZ 2.56Å; D113-R115 IonicContact OD2-NE 2.79Å; D113-R115 PolarHBondContact OD2-NE 3.01Å; D113-R115 IonicContact OD2-NH2 3.59Å; D113-R115 PolarHBondContact OD2-NH2 3.45Å; D113-L116 HydrophobicContact CB-CD1 4.38Å; D113-L116 HydrophobicContact CB-CG 4.4Å; D113-L116 PolarHBondContact O-N 3.28Å; D113-A117 PolarHBondContact O-N 3.18Å; D113-E125 WeakPolarHBondContact CB-O 3.48Å; D113-E125 PolarHBondContact N-O 2.98Å; D113-I127 HydrophobicContact CB-CD1 3.71Å; D113-I127 HydrophobicContact CB-CG1 3.89Å; D113-I127 HydrophobicContact CB-CG2 3.86Å | ||
| 114 | P | 81.4 | Confident | 83.6 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 7% | 0.071 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -9.7 | 178.8 | 32.5 | -37.9 | 0 | 0 | 0 | 112.9 | R112 R148 W154 E218 | R112-P114 WeakPolarHBondContact O-CD 3.27Å; P114-R148 PolarHBondContact O-NH1 3.1Å; P114-W154 HydrophobicContact CG-CD2 4.12Å; P114-W154 HydrophobicContact CG-CE3 4.16Å; P114-W154 HydrophobicContact CG-CH2 3.59Å; P114-W154 HydrophobicContact CG-CZ2 3.55Å; P114-W154 HydrophobicContact CG-CZ3 3.91Å; P114-E218 HydrophobicContact CB-CG 4.31Å; P114-E218 WeakPolarHBondContact CB-OE2 3.32Å |
| 115 | R | 80.9 | Confident | 82.9 | Confident | 110 Ų | 110 | 63 Ų | 63 | 42% | 0.415 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -25.3 | 179.7 | -56.9 | 172.6 | -63.1 | 159 | 7.3 | 112.2 | D113 E147 | D113-R115 PolarHBondContact O-N 3.49Å; D113-R115 WeakPolarHBondContact OD1-CB 3.38Å; D113-R115 VanDerWaalsContact OD1-CG 3.26Å; D113-R115 WeakPolarHBondContact OD1-CG 3.43Å; D113-R115 IonicContact OD1-CZ 2.88Å; D113-R115 PolarHBondContact OD1-N 3.49Å; D113-R115 IonicContact OD1-NE 2.8Å; D113-R115 PolarHBondContact OD1-NE 2.9Å; D113-R115 IonicContact OD1-NH2 3.37Å; D113-R115 IonicContact OD2-CZ 2.56Å; D113-R115 IonicContact OD2-NE 2.79Å; D113-R115 PolarHBondContact OD2-NE 3.01Å; D113-R115 IonicContact OD2-NH2 3.59Å; D113-R115 PolarHBondContact OD2-NH2 3.45Å; R115-E147 WeakPolarHBondContact CD-O 3.35Å |
| 116 | L | 75.5 | Confident | 82.5 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -13 | 176.3 | -57.9 | 179.5 | 0 | 0 | 0 | 111.7 | D113 S118 E125 | D113-L116 HydrophobicContact CB-CD1 4.38Å; D113-L116 HydrophobicContact CB-CG 4.4Å; D113-L116 PolarHBondContact O-N 3.28Å; L116-S118 PolarHBondContact O-N 3.22Å; L116-E125 HydrophobicContact CD1-CB 4.3Å; L116-E125 HydrophobicContact CD1-CG 4.19Å |
| 117 | A | 73.7 | Confident | 82.4 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | trans | -70.1 | 124.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D113 T121 Y221 | D113-A117 PolarHBondContact O-N 3.18Å; A117-T121 WeakPolarHBondContact CA-O 3.36Å; A117-Y221 HydrophobicContact CB-CD2 4.15Å; A117-Y221 HydrophobicContact CB-CE2 4.2Å | ||
| 118 | S | 77.9 | Confident | 82.3 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | trans | -141.5 | 176.6 | 175.9 | 74.4 | 0 | 0 | 0 | 0 | 110.2 | L116 D120 T121 L122 | L116-S118 PolarHBondContact O-N 3.22Å; S118-D120 PolarHBondContact O-N 3.42Å; S118-D120 PolarHBondContact OG-N 3.36Å; S118-T121 PolarHBondContact N-O 3.34Å; S118-T121 CarbonylContact O-C 3.55Å; S118-T121 PolarHBondContact O-N 3.34Å; S118-T121 PolarHBondContact OG-N 2.9Å; S118-L122 WeakPolarHBondContact O-CD2 3.44Å | ||
| 119 | L | 77.9 | Confident | 82.4 | Confident | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -58.2 | -30.9 | 172.1 | -69.8 | 170.3 | 0 | 0 | 0 | 112.2 | A224 R225 L228 | L119-A224 HydrophobicContact CD2-CB 3.77Å; L119-R225 HydrophobicContact CD2-CB 4.35Å; L119-R225 VanDerWaalsContact O-CD 3.24Å; L119-R225 WeakPolarHBondContact O-CD 3.35Å; L119-L228 HydrophobicContact CD1-CD1 3.49Å; L119-L228 VanDerWaalsContact CD1-CD1 3.49Å; L119-L228 HydrophobicContact CD2-CD1 3.97Å; L119-L228 HydrophobicContact CG-CD1 4.35Å |
| 120 | D | 73.4 | Confident | 82.5 | Confident | 152 Ų | 152 | 56.7 Ų | 56.7 | 81% | 0.813 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -87.5 | -32.7 | -179.3 | -56.6 | -45.7 | 0 | 0 | 0 | 112.3 | S118 | S118-D120 PolarHBondContact O-N 3.42Å; S118-D120 PolarHBondContact OG-N 3.36Å |
| 121 | T | 76.4 | Confident | 82.6 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | trans | -121.2 | 92.9 | -175.4 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | A117 S118 | A117-T121 WeakPolarHBondContact CA-O 3.36Å; S118-T121 PolarHBondContact N-O 3.34Å; S118-T121 CarbonylContact O-C 3.55Å; S118-T121 PolarHBondContact O-N 3.34Å; S118-T121 PolarHBondContact OG-N 2.9Å | ||
| 122 | L | 71.5 | Confident | 82.9 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | trans | -82.2 | -18.3 | 178 | -67 | -162.6 | 0 | 0 | 0 | 114.3 | R112 S118 G124 H222 R225 | R112-L122 PolarHBondContact NH1-O 2.92Å; R112-L122 VanDerWaalsContact NH1-O 3.1Å; S118-L122 WeakPolarHBondContact O-CD2 3.44Å; L122-G124 PolarHBondContact O-N 2.86Å; L122-H222 HydrophobicContact CD1-CB 4.27Å; L122-R225 VanDerWaalsContact CD1-NH1 3.34Å | ||
| 123 | S | 60.7 | Low | 83.3 | Confident | 91 Ų | 91 | 44.1 Ų | 44.1 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | trans | -90.8 | 81.4 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 124 | G | 66.8 | Low | 83.8 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 139.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.6 | L122 | L122-G124 PolarHBondContact O-N 2.86Š|
| 125 | E | 83.4 | Confident | 84.5 | Confident | 139 Ų | 139 | 46.8 Ų | 46.8 | 65% | 0.65 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -59.5 | 145.9 | 172.4 | -66.1 | -168.8 | 153.9 | 0 | 0 | 110.2 | R112 D113 L116 I127 | R112-E125 CarbonylContact C-O 3.55Å; D113-E125 WeakPolarHBondContact CB-O 3.48Å; D113-E125 PolarHBondContact N-O 2.98Å; L116-E125 HydrophobicContact CD1-CB 4.3Å; L116-E125 HydrophobicContact CD1-CG 4.19Å; E125-I127 PolarHBondContact O-N 3.49Å |
| 126 | E | 89.1 | Confident | 85.1 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 121.8 | 173.5 | -74.3 | -78.4 | 117.8 | 0 | 0 | 109 | R110 G111 R112 | R110-E126 HydrophobicContact CB-CB 4.44Å; R110-E126 PolarHBondContact NH2-O 2.8Å; G111-E126 WeakPolarHBondContact CA-OE1 3.44Å; G111-E126 WeakPolarHBondContact CA-OE2 3.34Å; G111-E126 PolarHBondContact N-OE2 3.22Å; G111-E126 CarbonylContact O-C 3.42Å; G111-E126 WeakPolarHBondContact O-CA 3.5Å; R112-E126 WeakPolarHBondContact CG-OE1 3.47Å; R112-E126 PolarHBondContact N-OE1 2.85Å |
| 127 | I | 92.5 | Very high | 85.8 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 152.2 | 176.5 | 52.6 | 167.1 | 0 | 0 | 0 | 110.1 | R110 G111 D113 E125 L129 Y146 W154 | R110-I127 CarbonylContact C-O 3.51Å; R110-I127 WeakPolarHBondContact CA-O 3.49Å; R110-I127 WeakPolarHBondContact CB-O 3.43Å; G111-I127 PolarHBondContact N-O 3.18Å; G111-I127 WeakPolarHBondContact O-CG1 3.42Å; G111-I127 PolarHBondContact O-N 3.05Å; D113-I127 HydrophobicContact CB-CD1 3.71Å; D113-I127 HydrophobicContact CB-CG1 3.89Å; D113-I127 HydrophobicContact CB-CG2 3.86Å; E125-I127 PolarHBondContact O-N 3.49Å; I127-L129 HydrophobicContact CD1-CD2 3.92Å; I127-L129 HydrophobicContact CG1-CD2 3.93Å; I127-L129 PolarHBondContact O-N 3.48Å; I127-Y146 HydrophobicContact CD1-CD1 4.25Å; I127-Y146 HydrophobicContact CD1-CD2 4.16Å; I127-Y146 HydrophobicContact CD1-CE1 3.83Å; I127-Y146 HydrophobicContact CD1-CE2 3.77Å; I127-Y146 HydrophobicContact CD1-CG 4.39Å; I127-W154 HydrophobicContact CD1-CZ3 4.41Å |
| 128 | P | 94.5 | Very high | 86.8 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 135.1 | 171.3 | 28 | -33.4 | 0 | 0 | 0 | 109.7 | E108 F131 L144 Y146 | E108-P128 HydrophobicContact CG-CB 4.35Å; P128-F131 HydrophobicContact CB-CE2 4.12Å; P128-F131 HydrophobicContact CB-CZ 3.89Å; P128-L144 VanDerWaalsContact C-CD1 3.45Å; P128-L144 HydrophobicContact CB-CD1 3.55Å; P128-L144 HydrophobicContact CG-CD1 3.85Å; P128-L144 WeakPolarHBondContact O-CD1 3.39Å; P128-Y146 WeakPolarHBondContact O-CE2 3.33Å; P128-Y146 PolarHBondContact O-OH 3.02Å |
| 129 | L | 96.2 | Very high | 87.7 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -39.4 | 179.1 | -62 | 178.5 | 0 | 0 | 0 | 111.1 | V109 I127 L144 Y146 W154 | V109-L129 PolarHBondContact O-N 3.31Å; I127-L129 HydrophobicContact CD1-CD2 3.92Å; I127-L129 HydrophobicContact CG1-CD2 3.93Å; I127-L129 PolarHBondContact O-N 3.48Å; L129-L144 PolarHBondContact O-N 3.42Å; L129-Y146 HydrophobicContact CD2-CE2 4.25Å; L129-W154 HydrophobicContact CD2-CH2 3.93Å; L129-W154 HydrophobicContact CD2-CZ3 3.79Å |
| 130 | H | 97.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.8 | 179.9 | -53.3 | -82.9 | 0 | 0 | 0 | 110.4 | V109 L132 H141 V142 G156 L158 | V109-H130 HydrophobicContact CB-CB 4.25Å; V109-H130 PolarHBondContact N-O 3.01Å; V109-H130 PolarHBondContact O-N 3.21Å; H130-L132 HydrophobicContact CB-CD1 4.17Å; H130-H141 AromaticContact CG-NE2 3.58Å; H130-H141 AromaticContact ND1-CE1 3.72Å; H130-H141 AromaticContact ND1-NE2 3.09Å; H130-H141 PolarHBondContact ND1-NE2 2.86Å; H130-V142 WeakPolarHBondContact CA-O 3.49Å; H130-G156 PolarHBondContact NE2-O 3.42Å; H130-G156 VanDerWaalsContact NE2-O 3.16Å; H130-L158 HydrophobicContact CB-CD1 4.39Å |
| 131 | F | 96.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.2 | 162.5 | -65.3 | -78.9 | 0 | 0 | 0 | 109.2 | W89 L96 L106 L107 E108 P128 F133 V142 L144 | W89-F131 HydrophobicContact CD2-CE2 4.2Å; W89-F131 AromaticContact CE2-CE2 3.68Å; W89-F131 AromaticContact CE2-CZ 3.74Å; W89-F131 AromaticContact CH2-CE2 3.86Å; W89-F131 HydrophobicContact CH2-CE2 3.86Å; W89-F131 AromaticContact CH2-CZ 3.96Å; W89-F131 HydrophobicContact CH2-CZ 3.96Å; W89-F131 HydrophobicContact CZ2-CE1 4.21Å; W89-F131 AromaticContact CZ2-CE2 3.51Å; W89-F131 HydrophobicContact CZ2-CE2 3.51Å; W89-F131 AromaticContact CZ2-CZ 3.32Å; W89-F131 HydrophobicContact CZ2-CZ 3.32Å; W89-F131 HydrophobicContact CZ3-CE2 4.37Å; L96-F131 HydrophobicContact CD1-CE1 4.08Å; L96-F131 HydrophobicContact CD2-CD1 4.18Å; L96-F131 HydrophobicContact CD2-CE1 4.04Å; L106-F131 HydrophobicContact CD1-CB 4.27Å; L106-F131 HydrophobicContact CD1-CD1 3.9Å; L107-F131 WeakPolarHBondContact O-CA 3.26Å; E108-F131 HydrophobicContact CB-CD1 3.83Å; E108-F131 HydrophobicContact CB-CE1 3.71Å; E108-F131 HydrophobicContact CG-CD1 3.88Å; E108-F131 HydrophobicContact CG-CE1 3.41Å; E108-F131 VanDerWaalsContact CG-CE1 3.41Å; E108-F131 HydrophobicContact CG-CZ 4.1Å; P128-F131 HydrophobicContact CB-CE2 4.12Å; P128-F131 HydrophobicContact CB-CZ 3.89Å; F131-F133 HydrophobicContact CB-CD2 4.31Å; F131-F133 HydrophobicContact CB-CE2 3.49Å; F131-F133 VanDerWaalsContact CB-CE2 3.49Å; F131-F133 HydrophobicContact CB-CZ 3.96Å; F131-F133 HydrophobicContact CG-CE2 4.4Å; F131-F133 HydrophobicContact CG-CZ 4.46Å; F131-V142 HydrophobicContact CB-CB 4.27Å; F131-V142 PolarHBondContact N-O 2.9Å; F131-V142 PolarHBondContact O-N 2.82Å; F131-L144 HydrophobicContact CD2-CD1 4.02Å; F131-L144 HydrophobicContact CE2-CD1 3.7Å |
| 132 | L | 98 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123 | 172.4 | -65.1 | 83.7 | 0 | 0 | 0 | 108 | L106 L107 V109 H130 I139 L158 F168 A169 F171 L174 | L106-L132 WeakPolarHBondContact CA-O 3.15Å; L107-L132 HydrophobicContact CB-CB 4.32Å; L107-L132 PolarHBondContact N-O 3.38Å; L107-L132 PolarHBondContact O-N 2.95Å; V109-L132 HydrophobicContact CG2-CD1 4.13Å; H130-L132 HydrophobicContact CB-CD1 4.17Å; L132-I139 HydrophobicContact CB-CG2 4.42Å; L132-I139 HydrophobicContact CD2-CG2 4.23Å; L132-L158 HydrophobicContact CD1-CD1 4.12Å; L132-F168 HydrophobicContact CB-CD1 4.27Å; L132-F168 HydrophobicContact CB-CE1 3.74Å; L132-A169 HydrophobicContact CD2-CB 3.63Å; L132-F171 HydrophobicContact CD2-CD1 4.38Å; L132-F171 HydrophobicContact CD2-CE1 3.83Å; L132-L174 HydrophobicContact CD2-CD1 4.24Å; L132-L174 HydrophobicContact CD2-CD2 4.34Å |
| 133 | F | 97.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.9 | 176.9 | -60.9 | -93.5 | 0 | 0 | 0 | 108.6 | F31 F95 L96 A99 F104 Q105 L106 F131 I139 I140 V142 | F31-F133 HydrophobicContact CD2-CD2 4.42Å; F31-F133 HydrophobicContact CD2-CG 4.33Å; F31-F133 HydrophobicContact CE2-CD1 4.26Å; F31-F133 AromaticContact CE2-CD2 3.56Å; F31-F133 HydrophobicContact CE2-CD2 3.56Å; F31-F133 HydrophobicContact CE2-CE1 4.42Å; F31-F133 AromaticContact CE2-CE2 3.76Å; F31-F133 HydrophobicContact CE2-CE2 3.76Å; F31-F133 AromaticContact CE2-CG 3.85Å; F31-F133 HydrophobicContact CE2-CG 3.85Å; F31-F133 HydrophobicContact CE2-CZ 4.21Å; F31-F133 HydrophobicContact CZ-CD2 4.14Å; F31-F133 HydrophobicContact CZ-CE2 4.18Å; F95-F133 HydrophobicContact CE1-CE1 4.1Å; F95-F133 HydrophobicContact CE1-CE2 4.37Å; F95-F133 AromaticContact CE1-CZ 3.61Å; F95-F133 HydrophobicContact CE1-CZ 3.61Å; F95-F133 HydrophobicContact CZ-CZ 4.32Å; L96-F133 HydrophobicContact CD2-CE1 4.16Å; L96-F133 HydrophobicContact CD2-CZ 3.93Å; A99-F133 HydrophobicContact CB-CD1 4.03Å; A99-F133 HydrophobicContact CB-CE1 3.84Å; F104-F133 HydrophobicContact CB-CB 4.41Å; F104-F133 HydrophobicContact CB-CD1 4.21Å; F104-F133 HydrophobicContact CD1-CB 3.79Å; F104-F133 HydrophobicContact CE1-CB 4.48Å; F104-F133 HydrophobicContact CG-CB 4.37Å; Q105-F133 CarbonylContact O-C 3.52Å; Q105-F133 WeakPolarHBondContact O-CA 3.3Å; L106-F133 HydrophobicContact CD1-CD1 3.86Å; L106-F133 HydrophobicContact CD1-CE1 3.48Å; L106-F133 VanDerWaalsContact CD1-CE1 3.48Å; L106-F133 HydrophobicContact CD1-CE2 4.24Å; L106-F133 HydrophobicContact CD1-CG 4.38Å; L106-F133 HydrophobicContact CD1-CZ 3.66Å; F131-F133 HydrophobicContact CB-CD2 4.31Å; F131-F133 HydrophobicContact CB-CE2 3.49Å; F131-F133 VanDerWaalsContact CB-CE2 3.49Å; F131-F133 HydrophobicContact CB-CZ 3.96Å; F131-F133 HydrophobicContact CG-CE2 4.4Å; F131-F133 HydrophobicContact CG-CZ 4.46Å; F133-I139 WeakPolarHBondContact O-CA 3.48Å; F133-I140 HydrophobicContact CB-CB 4.34Å; F133-I140 PolarHBondContact N-O 2.79Å; F133-I140 PolarHBondContact O-N 2.92Å; F133-V142 HydrophobicContact CD2-CG2 4.26Å; F133-V142 HydrophobicContact CE2-CG2 3.94Å |
| 134 | R | 97.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 24.8 Ų | 24.8 | 22% | 0.223 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.7 | 177.1 | -179.3 | 169.6 | 69.7 | -177.2 | 1.3 | 110.5 | F104 Q105 Y138 I139 T167 F168 | F104-R134 WeakPolarHBondContact CA-O 3.47Å; Q105-R134 HydrophobicContact CB-CB 4.29Å; Q105-R134 PolarHBondContact N-O 3.2Å; Q105-R134 PolarHBondContact O-N 2.96Å; R134-Y138 WeakPolarHBondContact CA-O 3.34Å; R134-I139 HydrophobicContact CB-CD1 3.58Å; R134-I139 HydrophobicContact CG-CD1 3.72Å; R134-T167 PolarHBondContact NH1-O 3.46Å; R134-F168 HydrophobicContact CB-CE1 4.05Å; R134-F168 HydrophobicContact CB-CE2 4.43Å; R134-F168 HydrophobicContact CB-CZ 3.84Å; R134-F168 WeakPolarHBondContact CD-O 3.43Å; R134-F168 PolarHBondContact NH1-O 3.36Å |
| 135 | L | 96.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.6 | 172.6 | 178.2 | 63.2 | 0 | 0 | 0 | 109.5 | N27 K30 G103 F104 G137 Y138 | N27-L135 HydrophobicContact CB-CD2 4.34Å; N27-L135 PolarHBondContact ND2-O 2.87Å; N27-L135 VanDerWaalsContact OD1-CD2 3.28Å; N27-L135 WeakPolarHBondContact OD1-CD2 3.46Å; K30-L135 HydrophobicContact CD-CD2 4.08Å; G103-L135 WeakPolarHBondContact O-CD1 3.42Å; F104-L135 HydrophobicContact CD1-CB 3.49Å; F104-L135 VanDerWaalsContact CD1-CB 3.49Å; F104-L135 HydrophobicContact CD1-CD2 4.12Å; F104-L135 HydrophobicContact CD1-CG 4.38Å; F104-L135 HydrophobicContact CD2-CD2 4.43Å; F104-L135 HydrophobicContact CE1-CB 3.57Å; F104-L135 HydrophobicContact CE1-CD2 3.66Å; F104-L135 HydrophobicContact CE1-CG 4.25Å; F104-L135 HydrophobicContact CE2-CD2 4.01Å; F104-L135 HydrophobicContact CG-CB 4.27Å; F104-L135 HydrophobicContact CG-CD2 4.48Å; F104-L135 HydrophobicContact CZ-CB 4.38Å; F104-L135 HydrophobicContact CZ-CD2 3.59Å; L135-G137 PolarHBondContact O-N 3.22Å; L135-Y138 PolarHBondContact N-O 2.84Å; L135-Y138 WeakPolarHBondContact O-CB 3.3Å; L135-Y138 PolarHBondContact O-N 3.29Å |
| 136 | H | 93.6 | Very high | 95.9 | Very high | 121 Ų | 121 | 18.8 Ų | 18.8 | 56% | 0.56 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 46.4 | -175.3 | -49 | 119.8 | 0 | 0 | 0 | 112.2 | M19 V23 N27 Y138 | M19-H136 WeakPolarHBondContact CE-O 3.35Å; V23-H136 HydrophobicContact CG1-CB 4.12Å; N27-H136 PolarHBondContact OD1-ND1 3.27Å; N27-H136 VanDerWaalsContact OD1-ND1 3.11Å; H136-Y138 PolarHBondContact O-N 3.21Å |
| 137 | G | 90.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 19.7 Ų | 19.7 | 51% | 0.505 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | -11.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L135 | L135-G137 PolarHBondContact O-N 3.22Š|
| 138 | Y | 94.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 140.5 | 177.8 | -167.5 | -104.4 | 0 | 0 | 0 | 111.9 | Q24 N27 L28 R77 T80 R134 L135 H136 I140 | Q24-Y138 HydrophobicContact CB-CD2 4.19Å; Q24-Y138 HydrophobicContact CB-CE2 3.86Å; Q24-Y138 HydrophobicContact CG-CD2 3.69Å; Q24-Y138 HydrophobicContact CG-CE2 3.63Å; N27-Y138 HydrophobicContact CB-CD1 4.4Å; L28-Y138 HydrophobicContact CD1-CE1 4.49Å; L28-Y138 HydrophobicContact CD2-CE1 4.05Å; L28-Y138 HydrophobicContact CG-CE1 3.99Å; R77-Y138 VanDerWaalsContact O-CE2 3.24Å; R77-Y138 WeakPolarHBondContact O-CE2 3.35Å; T80-Y138 PolarHBondContact OG1-OH 2.96Å; R134-Y138 WeakPolarHBondContact CA-O 3.34Å; L135-Y138 PolarHBondContact N-O 2.84Å; L135-Y138 WeakPolarHBondContact O-CB 3.3Å; L135-Y138 PolarHBondContact O-N 3.29Å; H136-Y138 PolarHBondContact O-N 3.21Å; Y138-I140 HydrophobicContact CD1-CG1 4.04Å; Y138-I140 HydrophobicContact CE1-CG1 3.99Å |
| 139 | I | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.9 | -178.6 | -55.7 | -59.7 | 0 | 0 | 0 | 111.2 | P78 I79 T80 L132 F133 R134 A169 | P78-I139 PolarHBondContact O-N 2.81Å; I79-I139 CarbonylContact C-O 3.52Å; I79-I139 VanDerWaalsContact CA-O 3.24Å; I79-I139 WeakPolarHBondContact CA-O 3.38Å; I79-I139 HydrophobicContact CB-CB 4.48Å; I79-I139 HydrophobicContact CG1-CB 3.86Å; I79-I139 HydrophobicContact CG1-CG1 4.39Å; I79-I139 HydrophobicContact CG1-CG2 4.25Å; I79-I139 HydrophobicContact CG2-CG2 4.46Å; T80-I139 PolarHBondContact N-O 2.99Å; L132-I139 HydrophobicContact CB-CG2 4.42Å; L132-I139 HydrophobicContact CD2-CG2 4.23Å; F133-I139 WeakPolarHBondContact O-CA 3.48Å; R134-I139 HydrophobicContact CB-CD1 3.58Å; R134-I139 HydrophobicContact CG-CD1 3.72Å; I139-A169 HydrophobicContact CD1-CB 3.9Å; I139-A169 HydrophobicContact CG1-CB 3.88Å; I139-A169 HydrophobicContact CG2-CB 4.25Å |
| 140 | I | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.8 | 165.5 | -56.7 | 173.5 | 0 | 0 | 0 | 107.5 | L28 F31 T80 F82 F104 F133 Y138 | L28-I140 HydrophobicContact CD2-CD1 4Å; L28-I140 HydrophobicContact CD2-CG1 4.11Å; F31-I140 HydrophobicContact CB-CD1 3.36Å; F31-I140 HydrophobicContact CD1-CD1 3.9Å; F31-I140 HydrophobicContact CD1-CG2 3.78Å; F31-I140 HydrophobicContact CD2-CD1 4.08Å; F31-I140 HydrophobicContact CD2-CG2 4.45Å; F31-I140 HydrophobicContact CE1-CG2 3.62Å; F31-I140 HydrophobicContact CE2-CG2 4.33Å; F31-I140 HydrophobicContact CG-CD1 3.51Å; F31-I140 HydrophobicContact CG-CG2 4.2Å; F31-I140 HydrophobicContact CZ-CG2 3.93Å; T80-I140 WeakPolarHBondContact O-CA 3.37Å; F82-I140 HydrophobicContact CD2-CG2 3.83Å; F82-I140 HydrophobicContact CE2-CG2 4.1Å; F104-I140 HydrophobicContact CE1-CD1 4.11Å; F133-I140 HydrophobicContact CB-CB 4.34Å; F133-I140 PolarHBondContact N-O 2.79Å; F133-I140 PolarHBondContact O-N 2.92Å; Y138-I140 HydrophobicContact CD1-CG1 4.04Å; Y138-I140 HydrophobicContact CE1-CG1 3.99Å |
| 141 | H | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.9 | -178.7 | 177.4 | -154.6 | 0 | 0 | 0 | 110 | I79 T80 S81 F82 H130 L174 | I79-H141 HydrophobicContact CG2-CB 4.22Å; T80-H141 PolarHBondContact O-N 3.39Å; S81-H141 CarbonylContact C-O 3.24Å; S81-H141 VanDerWaalsContact CA-O 3.29Å; S81-H141 WeakPolarHBondContact CA-O 3.25Å; S81-H141 PolarHBondContact OG-ND1 2.88Å; F82-H141 PolarHBondContact N-O 3.25Å; H130-H141 AromaticContact CG-NE2 3.58Å; H130-H141 AromaticContact ND1-CE1 3.72Å; H130-H141 AromaticContact ND1-NE2 3.09Å; H130-H141 PolarHBondContact ND1-NE2 2.86Å; H141-L174 HydrophobicContact CB-CD2 4.11Å |
| 142 | V | 98.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.9 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | F31 L42 F82 L84 H130 F131 F133 | F31-V142 HydrophobicContact CE1-CG2 4.31Å; F31-V142 HydrophobicContact CZ-CG2 3.63Å; L42-V142 HydrophobicContact CD2-CG1 3.91Å; F82-V142 CarbonylContact O-C 3.48Å; F82-V142 WeakPolarHBondContact O-CA 3.36Å; L84-V142 HydrophobicContact CB-CG1 3.86Å; H130-V142 WeakPolarHBondContact CA-O 3.49Å; F131-V142 HydrophobicContact CB-CB 4.27Å; F131-V142 PolarHBondContact N-O 2.9Å; F131-V142 PolarHBondContact O-N 2.82Å; F133-V142 HydrophobicContact CD2-CG2 4.26Å; F133-V142 HydrophobicContact CE2-CG2 3.94Å |
| 143 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.5 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | F82 A83 L84 L145 H155 Y176 | F82-V143 PolarHBondContact O-N 3.35Å; A83-V143 CarbonylContact C-O 3.51Å; A83-V143 VanDerWaalsContact CA-O 3.31Å; A83-V143 WeakPolarHBondContact CA-O 3.19Å; L84-V143 PolarHBondContact N-O 3.08Å; V143-L145 HydrophobicContact CG1-CD2 4.16Å; V143-H155 HydrophobicContact CG1-CB 3.65Å; V143-Y176 HydrophobicContact CG1-CD1 4.46Å; V143-Y176 HydrophobicContact CG2-CD1 4.35Å; V143-Y176 HydrophobicContact CG2-CD2 3.83Å; V143-Y176 HydrophobicContact CG2-CG 3.7Å |
| 144 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128 | 175 | -75.9 | 148.5 | 0 | 0 | 0 | 110.4 | L84 A86 W89 P128 L129 F131 Y146 H155 | L84-L144 HydrophobicContact CB-CD2 4.45Å; L84-L144 HydrophobicContact CD2-CD2 4.01Å; L84-L144 HydrophobicContact CG-CD2 4.36Å; L84-L144 WeakPolarHBondContact O-CA 3.31Å; A86-L144 HydrophobicContact CB-CB 4.4Å; A86-L144 HydrophobicContact CB-CD2 3.96Å; W89-L144 HydrophobicContact CB-CD2 3.9Å; W89-L144 HydrophobicContact CG-CD2 4.15Å; P128-L144 VanDerWaalsContact C-CD1 3.45Å; P128-L144 HydrophobicContact CB-CD1 3.55Å; P128-L144 HydrophobicContact CG-CD1 3.85Å; P128-L144 WeakPolarHBondContact O-CD1 3.39Å; L129-L144 PolarHBondContact O-N 3.42Å; F131-L144 HydrophobicContact CD2-CD1 4.02Å; F131-L144 HydrophobicContact CE2-CD1 3.7Å; L144-Y146 HydrophobicContact CB-CD2 4.41Å; L144-Y146 HydrophobicContact CB-CE2 3.69Å; L144-H155 WeakPolarHBondContact O-CB 3.43Å |
| 145 | L | 96.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.3 | 177.8 | -60.3 | -171.2 | 0 | 0 | 0 | 109.9 | F43 A83 L84 A86 V143 L153 W154 H155 | F43-L145 HydrophobicContact CE1-CD1 3.9Å; F43-L145 HydrophobicContact CZ-CD1 3.62Å; A83-L145 HydrophobicContact CB-CD1 3.87Å; A83-L145 HydrophobicContact CB-CG 4.12Å; L84-L145 PolarHBondContact O-N 3.36Å; A86-L145 WeakPolarHBondContact CB-O 3.4Å; A86-L145 PolarHBondContact N-O 3.49Å; V143-L145 HydrophobicContact CG1-CD2 4.16Å; L145-L153 HydrophobicContact CB-CB 4.28Å; L145-L153 HydrophobicContact CB-CD1 4.35Å; L145-L153 HydrophobicContact CB-CD2 4.48Å; L145-L153 HydrophobicContact CD1-CB 4.49Å; L145-L153 HydrophobicContact CD1-CD1 3.86Å; L145-W154 CarbonylContact C-O 3.47Å; L145-W154 WeakPolarHBondContact CA-O 3.3Å; L145-H155 HydrophobicContact CD2-CB 3.85Å |
| 146 | Y | 95.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135 | 179.7 | -69.7 | -88.5 | 0 | 0 | 0 | 111 | A86 I127 P128 L129 L144 L153 W154 | A86-Y146 HydrophobicContact CB-CD1 3.41Å; A86-Y146 VanDerWaalsContact CB-CD1 3.41Å; A86-Y146 HydrophobicContact CB-CD2 4.02Å; A86-Y146 HydrophobicContact CB-CE1 3.28Å; A86-Y146 HydrophobicContact CB-CE2 3.88Å; A86-Y146 HydrophobicContact CB-CG 3.79Å; A86-Y146 VanDerWaalsContact CB-CZ 3.5Å; I127-Y146 HydrophobicContact CD1-CD1 4.25Å; I127-Y146 HydrophobicContact CD1-CD2 4.16Å; I127-Y146 HydrophobicContact CD1-CE1 3.83Å; I127-Y146 HydrophobicContact CD1-CE2 3.77Å; I127-Y146 HydrophobicContact CD1-CG 4.39Å; P128-Y146 WeakPolarHBondContact O-CE2 3.33Å; P128-Y146 PolarHBondContact O-OH 3.02Å; L129-Y146 HydrophobicContact CD2-CE2 4.25Å; L144-Y146 HydrophobicContact CB-CD2 4.41Å; L144-Y146 HydrophobicContact CB-CE2 3.69Å; Y146-L153 CarbonylContact O-C 3.51Å; Y146-L153 WeakPolarHBondContact O-CA 3.23Å; Y146-W154 HydrophobicContact CD2-CE3 4.05Å; Y146-W154 HydrophobicContact CD2-CZ3 4.09Å; Y146-W154 HydrophobicContact CG-CE3 4.43Å; Y146-W154 PolarHBondContact N-O 3.44Å; Y146-W154 PolarHBondContact O-N 3.19Å |
| 147 | E | 94.1 | Very high | 94.9 | Very high | 96 Ų | 96 | 19.6 Ų | 19.6 | 45% | 0.449 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 134.6 | 172.9 | -172.8 | 163.5 | -171.9 | 0 | 0 | 110.8 | R115 R185 | R115-E147 WeakPolarHBondContact CD-O 3.35Å; E147-R185 IonicContact OE1-CZ 3Å; E147-R185 IonicContact OE1-NH2 3.83Å; E147-R185 PolarHBondContact OE1-NH2 3.45Å; E147-R185 IonicContact OE2-NH2 2.7Å; E147-R185 PolarHBondContact OE2-NH2 3.24Å |
| 148 | R | 93.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 18 Ų | 18 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 154.7 | 174.3 | -68.3 | -73 | -69.2 | -161.1 | -3.7 | 110.1 | P114 G150 G151 Y152 W154 E218 E371 | P114-R148 PolarHBondContact O-NH1 3.1Å; R148-G150 PolarHBondContact O-N 3Å; R148-G150 VanDerWaalsContact O-N 3.1Å; R148-G151 PolarHBondContact O-N 2.89Å; R148-Y152 HydrophobicContact CB-CD1 3.88Å; R148-Y152 HydrophobicContact CB-CD2 4.21Å; R148-Y152 HydrophobicContact CB-CE1 3.43Å; R148-Y152 VanDerWaalsContact CB-CE1 3.43Å; R148-Y152 HydrophobicContact CB-CE2 3.81Å; R148-Y152 HydrophobicContact CB-CG 4.24Å; R148-Y152 HydrophobicContact CG-CD2 4.25Å; R148-Y152 HydrophobicContact CG-CE1 4.13Å; R148-Y152 HydrophobicContact CG-CE2 3.61Å; R148-Y152 PolarHBondContact N-O 3.16Å; R148-Y152 PolarHBondContact NE-OH 2.82Å; R148-W154 HydrophobicContact CG-CB 3.76Å; R148-E218 IonicContact NH1-OE2 3.38Å; R148-E218 IonicContact NH2-OE1 3.39Å; R148-E371 IonicContact CZ-OE1 2.85Å; R148-E371 IonicContact CZ-OE2 2.76Å; R148-E371 IonicContact NE-OE1 2.93Å; R148-E371 IonicContact NE-OE2 3.82Å; R148-E371 PolarHBondContact NE-OE2 3.05Å; R148-E371 IonicContact NH2-OE1 2.57Å; R148-E371 PolarHBondContact NH2-OE1 3.25Å; R148-E371 IonicContact NH2-OE2 3.79Å |
| 149 | S | 87.2 | Confident | 95.1 | Very high | 78 Ų | 78 | 24.6 Ų | 24.6 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.8 | -177.9 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | G151 E374 | S149-G151 PolarHBondContact O-N 3.46Å; S149-E374 WeakPolarHBondContact OG-CB 3.41Å |
| 150 | G | 85.5 | Confident | 94.9 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 6.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | R148 E374 | R148-G150 PolarHBondContact O-N 3Å; R148-G150 VanDerWaalsContact O-N 3.1Å; G150-E374 WeakPolarHBondContact CA-O 3.46Å; G150-E374 PolarHBondContact N-O 3.04Å |
| 151 | G | 91 | Very high | 94.6 | Very high | 51 Ų | 51 | 33.7 Ų | 33.7 | 53% | 0.526 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 29.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R148 S149 | R148-G151 PolarHBondContact O-N 2.89Å; S149-G151 PolarHBondContact O-N 3.46Å |
| 152 | Y | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 167 | -180 | 68.9 | -85 | 0 | 0 | 0 | 111.6 | R148 W154 A182 Y183 F216 E371 K376 | R148-Y152 HydrophobicContact CB-CD1 3.88Å; R148-Y152 HydrophobicContact CB-CD2 4.21Å; R148-Y152 HydrophobicContact CB-CE1 3.43Å; R148-Y152 VanDerWaalsContact CB-CE1 3.43Å; R148-Y152 HydrophobicContact CB-CE2 3.81Å; R148-Y152 HydrophobicContact CB-CG 4.24Å; R148-Y152 HydrophobicContact CG-CD2 4.25Å; R148-Y152 HydrophobicContact CG-CE1 4.13Å; R148-Y152 HydrophobicContact CG-CE2 3.61Å; R148-Y152 PolarHBondContact N-O 3.16Å; R148-Y152 PolarHBondContact NE-OH 2.82Å; Y152-W154 HydrophobicContact CE2-CB 4.4Å; Y152-A182 HydrophobicContact CD2-CB 3.74Å; Y152-A182 HydrophobicContact CE2-CB 3.77Å; Y152-Y183 WeakPolarHBondContact CB-O 3.41Å; Y152-F216 AromaticContact CE2-CE2 3.97Å; Y152-F216 HydrophobicContact CE2-CE2 3.97Å; Y152-F216 WeakPolarHBondContact OH-CE2 3.25Å; Y152-E371 VanDerWaalsContact CE1-OE2 3.26Å; Y152-E371 WeakPolarHBondContact CE1-OE2 3.35Å; Y152-E371 VanDerWaalsContact CZ-OE2 3.32Å; Y152-E371 PolarHBondContact OH-OE2 2.92Å; Y152-K376 HydrophobicContact CD1-CB 3.64Å; Y152-K376 HydrophobicContact CD1-CD 3.95Å; Y152-K376 HydrophobicContact CD1-CG 4.07Å; Y152-K376 HydrophobicContact CD2-CD 4.11Å; Y152-K376 HydrophobicContact CE1-CB 3.81Å; Y152-K376 HydrophobicContact CE1-CG 4.3Å; Y152-K376 HydrophobicContact CG-CB 4.26Å; Y152-K376 HydrophobicContact CG-CD 3.67Å; Y152-K376 HydrophobicContact CG-CG 4.21Å |
| 153 | L | 96.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.7 | 178.7 | -63.1 | 179 | 0 | 0 | 0 | 110.4 | L145 Y146 A182 Y183 | L145-L153 HydrophobicContact CB-CB 4.28Å; L145-L153 HydrophobicContact CB-CD1 4.35Å; L145-L153 HydrophobicContact CB-CD2 4.48Å; L145-L153 HydrophobicContact CD1-CB 4.49Å; L145-L153 HydrophobicContact CD1-CD1 3.86Å; Y146-L153 CarbonylContact O-C 3.51Å; Y146-L153 WeakPolarHBondContact O-CA 3.23Å; L153-A182 CarbonylContact O-C 3.53Å; L153-A182 VanDerWaalsContact O-CA 3.24Å; L153-A182 WeakPolarHBondContact O-CA 3.24Å; L153-Y183 PolarHBondContact N-O 3.18Å; L153-Y183 PolarHBondContact O-N 2.86Å |
| 154 | W | 97 | Very high | 93.3 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.9 | 177.7 | 175 | 93.9 | 0 | 0 | 0 | 111 | P114 I127 L129 L145 Y146 R148 Y152 G156 A180 G181 F216 | P114-W154 HydrophobicContact CG-CD2 4.12Å; P114-W154 HydrophobicContact CG-CE3 4.16Å; P114-W154 HydrophobicContact CG-CH2 3.59Å; P114-W154 HydrophobicContact CG-CZ2 3.55Å; P114-W154 HydrophobicContact CG-CZ3 3.91Å; I127-W154 HydrophobicContact CD1-CZ3 4.41Å; L129-W154 HydrophobicContact CD2-CH2 3.93Å; L129-W154 HydrophobicContact CD2-CZ3 3.79Å; L145-W154 CarbonylContact C-O 3.47Å; L145-W154 WeakPolarHBondContact CA-O 3.3Å; Y146-W154 HydrophobicContact CD2-CE3 4.05Å; Y146-W154 HydrophobicContact CD2-CZ3 4.09Å; Y146-W154 HydrophobicContact CG-CE3 4.43Å; Y146-W154 PolarHBondContact N-O 3.44Å; Y146-W154 PolarHBondContact O-N 3.19Å; R148-W154 HydrophobicContact CG-CB 3.76Å; Y152-W154 HydrophobicContact CE2-CB 4.4Å; W154-G156 VanDerWaalsContact CZ2-CA 3.41Å; W154-A180 HydrophobicContact CZ2-CB 4.17Å; W154-G181 CarbonylContact C-O 3.36Å; W154-G181 VanDerWaalsContact CA-O 3.27Å; W154-G181 WeakPolarHBondContact CA-O 3.27Å; W154-F216 AromaticContact CD1-CD1 3.73Å; W154-F216 AromaticContact CD1-CE1 4Å; W154-F216 AromaticContact CD1-CG 3.93Å; W154-F216 AromaticContact NE1-CD1 3.57Å; W154-F216 AromaticContact NE1-CE1 3.94Å |
| 155 | H | 97.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151.3 | 162.3 | 70.4 | 75.7 | 0 | 0 | 0 | 111.4 | V143 L144 L145 Y176 H179 A180 G181 Y183 | V143-H155 HydrophobicContact CG1-CB 3.65Å; L144-H155 WeakPolarHBondContact O-CB 3.43Å; L145-H155 HydrophobicContact CD2-CB 3.85Å; H155-Y176 AromaticContact NE2-CD1 3.64Å; H155-H179 PolarHBondContact CE1-O 2.63Å; H155-A180 CarbonylContact O-C 3.56Å; H155-A180 WeakPolarHBondContact O-CA 3.21Å; H155-A180 WeakPolarHBondContact O-CB 3.46Å; H155-G181 PolarHBondContact CE1-N 3.37Å; H155-G181 VanDerWaalsContact CE1-N 3.33Å; H155-G181 PolarHBondContact N-O 2.93Å; H155-G181 PolarHBondContact O-N 3.43Å; H155-Y183 AromaticContact CD2-CE2 3.28Å; H155-Y183 WeakPolarHBondContact CD2-CE2 3.28Å; H155-Y183 AromaticContact CD2-CZ 3.99Å; H155-Y183 AromaticContact NE2-CE2 3.41Å; H155-Y183 WeakPolarHBondContact NE2-CE2 3.27Å; H155-Y183 AromaticContact NE2-CZ 3.76Å; H155-Y183 PolarHBondContact NE2-OH 3.29Å |
| 156 | G | 96.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | trans | -76.7 | 169.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H130 W154 | H130-G156 PolarHBondContact NE2-O 3.42Å; H130-G156 VanDerWaalsContact NE2-O 3.16Å; W154-G156 VanDerWaalsContact CZ2-CA 3.41Å | ||
| 157 | A | 96.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 17% | 0.174 | 35% | 0.35 | C | S | . | . | trans | -82.5 | 147.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R159 | A157-R159 PolarHBondContact O-N 2.89Š| ||
| 158 | L | 95.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | trans | -84.6 | 115.7 | 175.7 | -168.1 | 162 | 0 | 0 | 0 | 108.5 | V109 H130 L132 L160 F171 L174 G177 | V109-L158 HydrophobicContact CB-CG 4.3Å; V109-L158 HydrophobicContact CG1-CD2 4.37Å; V109-L158 HydrophobicContact CG1-CG 4.02Å; V109-L158 HydrophobicContact CG2-CD1 4.32Å; V109-L158 HydrophobicContact CG2-CD2 4.23Å; V109-L158 HydrophobicContact CG2-CG 3.99Å; H130-L158 HydrophobicContact CB-CD1 4.39Å; L132-L158 HydrophobicContact CD1-CD1 4.12Å; L158-L160 HydrophobicContact CD2-CD2 3.78Å; L158-L160 HydrophobicContact CD2-CG 3.97Å; L158-F171 HydrophobicContact CD1-CD1 4.13Å; L158-F171 HydrophobicContact CD1-CE1 4.28Å; L158-F171 HydrophobicContact CD2-CD1 4.03Å; L158-F171 HydrophobicContact CD2-CE1 4.13Å; L158-L174 HydrophobicContact CD1-CD1 3.69Å; L158-G177 PolarHBondContact N-O 3.19Å | ||
| 159 | R | 94.6 | Very high | 92.9 | Very high | 145 Ų | 145 | 54.2 Ų | 54.2 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | trans | -126.6 | 116.5 | 174.7 | -60.3 | -64 | 175.6 | -101.8 | 2.8 | 108.6 | V109 A157 G177 R178 | V109-R159 WeakPolarHBondContact CG1-O 3.4Å; A157-R159 PolarHBondContact O-N 2.89Å; R159-G177 PolarHBondContact NH1-O 3.49Å; R159-R178 PolarHBondContact NH1-O 3.23Å; R159-R178 PolarHBondContact NH2-O 2.83Å | ||
| 160 | L | 93 | Very high | 93.3 | Very high | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.335 | 32% | 0.323 | S | S | . | . | trans | -74.7 | 138 | 178.9 | -64.8 | 179.8 | 0 | 0 | 0 | 109.9 | L107 V109 L158 A164 F171 | L107-L160 HydrophobicContact CD2-CD2 4.07Å; V109-L160 HydrophobicContact CG2-CD2 4.21Å; L158-L160 HydrophobicContact CD2-CD2 3.78Å; L158-L160 HydrophobicContact CD2-CG 3.97Å; L160-A164 HydrophobicContact CB-CB 4.13Å; L160-A164 HydrophobicContact CD2-CB 4.15Å; L160-F171 HydrophobicContact CD1-CD2 4.08Å; L160-F171 HydrophobicContact CD1-CE1 4.22Å; L160-F171 HydrophobicContact CD1-CE2 3.65Å; L160-F171 HydrophobicContact CD1-CZ 3.73Å; L160-F171 HydrophobicContact CD2-CE1 3.92Å; L160-F171 HydrophobicContact CD2-CZ 3.84Å; L160-F171 HydrophobicContact CG-CE1 4.48Å; L160-F171 HydrophobicContact CG-CZ 4.35Å | ||
| 161 | K | 89.7 | Confident | 93.7 | Very high | 131 Ų | 131 | 53.8 Ų | 53.8 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | trans | -68.8 | 155.1 | 167.1 | -65 | -175.8 | 179.5 | -179.2 | 0 | 109 | T163 A164 | K161-T163 PolarHBondContact O-N 2.7Å; K161-A164 WeakPolarHBondContact O-CB 3.07Å; K161-A164 PolarHBondContact O-N 2.94Å | ||
| 162 | A | 89.3 | Confident | 93.8 | Very high | 114 Ų | 114 | 63.3 Ų | 63.3 | 94% | 0.942 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 163 | T | 89.6 | Confident | 93.7 | Very high | 135 Ų | 135 | 67.6 Ų | 67.6 | 83% | 0.828 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.9 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | K161 | K161-T163 PolarHBondContact O-N 2.7Š|
| 164 | A | 90 | Very high | 93.7 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 21% | 0.207 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -78 | 142.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L160 K161 P166 | L160-A164 HydrophobicContact CB-CB 4.13Å; L160-A164 HydrophobicContact CD2-CB 4.15Å; K161-A164 WeakPolarHBondContact O-CB 3.07Å; K161-A164 PolarHBondContact O-N 2.94Å; A164-P166 VanDerWaalsContact O-CD 3.25Å; A164-P166 WeakPolarHBondContact O-CD 3.37Å |
| 165 | D | 91.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 68.6 Ų | 68.6 | 35% | 0.348 | 37% | 0.367 | S | S | . | . | trans | -68.4 | 111.2 | 174.9 | 173.8 | 13.7 | 0 | 0 | 0 | 110.6 | T167 F168 | D165-T167 VanDerWaalsContact CG-OG1 3.29Å; D165-T167 PolarHBondContact O-N 3.28Å; D165-T167 WeakPolarHBondContact OD1-CA 3.41Å; D165-T167 WeakPolarHBondContact OD1-CB 3.47Å; D165-T167 PolarHBondContact OD1-N 3.08Å; D165-T167 PolarHBondContact OD1-OG1 3.44Å; D165-T167 PolarHBondContact OD2-OG1 3.09Å; D165-F168 HydrophobicContact CB-CB 4.33Å; D165-F168 VanDerWaalsContact O-CB 3.3Å; D165-F168 WeakPolarHBondContact O-CB 3.48Å; D165-F168 PolarHBondContact O-N 2.62Å; D165-F168 PolarHBondContact OD2-N 3.47Å | ||
| 166 | P | 90.8 | Very high | 93.5 | Very high | 93 Ų | 93 | 68.9 Ų | 68.9 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13 | -179.9 | 32.1 | -35.9 | 0 | 0 | 0 | 112.6 | A164 F171 | A164-P166 VanDerWaalsContact O-CD 3.25Å; A164-P166 WeakPolarHBondContact O-CD 3.37Å; P166-F171 WeakPolarHBondContact O-CE2 3.38Å |
| 167 | T | 93.6 | Very high | 93.5 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.3 | 176.9 | 75.1 | 0 | 0 | 0 | 0 | 112.8 | R134 D165 A169 | R134-T167 PolarHBondContact NH1-O 3.46Å; D165-T167 VanDerWaalsContact CG-OG1 3.29Å; D165-T167 PolarHBondContact O-N 3.28Å; D165-T167 WeakPolarHBondContact OD1-CA 3.41Å; D165-T167 WeakPolarHBondContact OD1-CB 3.47Å; D165-T167 PolarHBondContact OD1-N 3.08Å; D165-T167 PolarHBondContact OD1-OG1 3.44Å; D165-T167 PolarHBondContact OD2-OG1 3.09Å; T167-A169 VanDerWaalsContact C-N 3.28Å; T167-A169 PolarHBondContact O-N 3.05Å |
| 168 | F | 96.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 77.8 Ų | 77.8 | 8% | 0.075 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -56.9 | -41.9 | -177.8 | -173.2 | -88.1 | 0 | 0 | 0 | 112.5 | Q105 L107 L132 R134 D165 F171 | Q105-F168 HydrophobicContact CB-CE2 4.02Å; Q105-F168 HydrophobicContact CB-CZ 4.25Å; L107-F168 HydrophobicContact CB-CD1 3.73Å; L107-F168 HydrophobicContact CB-CD2 4.28Å; L107-F168 HydrophobicContact CB-CE1 3.52Å; L107-F168 HydrophobicContact CB-CE2 4.07Å; L107-F168 HydrophobicContact CB-CG 4.12Å; L107-F168 HydrophobicContact CB-CZ 3.69Å; L107-F168 HydrophobicContact CD2-CB 4.2Å; L107-F168 HydrophobicContact CD2-CD1 3.82Å; L107-F168 HydrophobicContact CD2-CE1 4.44Å; L107-F168 HydrophobicContact CD2-CG 4.02Å; L107-F168 HydrophobicContact CG-CD1 4.45Å; L132-F168 HydrophobicContact CB-CD1 4.27Å; L132-F168 HydrophobicContact CB-CE1 3.74Å; R134-F168 HydrophobicContact CB-CE1 4.05Å; R134-F168 HydrophobicContact CB-CE2 4.43Å; R134-F168 HydrophobicContact CB-CZ 3.84Å; R134-F168 WeakPolarHBondContact CD-O 3.43Å; R134-F168 PolarHBondContact NH1-O 3.36Å; D165-F168 HydrophobicContact CB-CB 4.33Å; D165-F168 VanDerWaalsContact O-CB 3.3Å; D165-F168 WeakPolarHBondContact O-CB 3.48Å; D165-F168 PolarHBondContact O-N 2.62Å; D165-F168 PolarHBondContact OD2-N 3.47Å; F168-F171 HydrophobicContact CB-CZ 4.32Å |
| 169 | A | 95.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 80.3 Ų | 80.3 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -144.2 | 158.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L132 I139 T167 F171 | L132-A169 HydrophobicContact CD2-CB 3.63Å; I139-A169 HydrophobicContact CD1-CB 3.9Å; I139-A169 HydrophobicContact CG1-CB 3.88Å; I139-A169 HydrophobicContact CG2-CB 4.25Å; T167-A169 VanDerWaalsContact C-N 3.28Å; T167-A169 PolarHBondContact O-N 3.05Å; A169-F171 HydrophobicContact CB-CE1 4.27Å; A169-F171 HydrophobicContact CB-CE2 4.43Å; A169-F171 HydrophobicContact CB-CZ 4.22Å; A169-F171 WeakPolarHBondContact O-CD2 3.28Å; A169-F171 WeakPolarHBondContact O-CE2 3.28Å; A169-F171 PolarHBondContact O-N 3.21Å |
| 170 | P | 94.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 74.3 Ų | 74.3 | 34% | 0.338 | 39% | 0.391 | S | S | . | . | trans | -76.2 | 74.7 | 171.3 | 28.7 | -26.7 | 0 | 0 | 0 | 110 | P78 I79 R172 L173 | P78-P170 HydrophobicContact CB-CG 4.4Å; P78-P170 HydrophobicContact CG-CG 4.15Å; I79-P170 HydrophobicContact CD1-CG 3.85Å; I79-P170 HydrophobicContact CG1-CG 4.2Å; P170-R172 PolarHBondContact O-N 3.46Å; P170-L173 HydrophobicContact CB-CB 4.47Å; P170-L173 HydrophobicContact CB-CD1 3.95Å; P170-L173 HydrophobicContact CB-CG 4.22Å; P170-L173 HydrophobicContact CG-CD1 4.19Å; P170-L173 WeakPolarHBondContact O-CB 3.4Å; P170-L173 PolarHBondContact O-N 2.87Å | ||
| 171 | F | 94.9 | Very high | 93.8 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -53.6 | -28.4 | -170.2 | -67.4 | -77.8 | 0 | 0 | 0 | 114.9 | L107 L132 L158 L160 P166 F168 A169 L173 L174 | L107-F171 HydrophobicContact CD2-CE1 4.14Å; L107-F171 HydrophobicContact CD2-CZ 3.79Å; L132-F171 HydrophobicContact CD2-CD1 4.38Å; L132-F171 HydrophobicContact CD2-CE1 3.83Å; L158-F171 HydrophobicContact CD1-CD1 4.13Å; L158-F171 HydrophobicContact CD1-CE1 4.28Å; L158-F171 HydrophobicContact CD2-CD1 4.03Å; L158-F171 HydrophobicContact CD2-CE1 4.13Å; L160-F171 HydrophobicContact CD1-CD2 4.08Å; L160-F171 HydrophobicContact CD1-CE1 4.22Å; L160-F171 HydrophobicContact CD1-CE2 3.65Å; L160-F171 HydrophobicContact CD1-CZ 3.73Å; L160-F171 HydrophobicContact CD2-CE1 3.92Å; L160-F171 HydrophobicContact CD2-CZ 3.84Å; L160-F171 HydrophobicContact CG-CE1 4.48Å; L160-F171 HydrophobicContact CG-CZ 4.35Å; P166-F171 WeakPolarHBondContact O-CE2 3.38Å; F168-F171 HydrophobicContact CB-CZ 4.32Å; A169-F171 HydrophobicContact CB-CE1 4.27Å; A169-F171 HydrophobicContact CB-CE2 4.43Å; A169-F171 HydrophobicContact CB-CZ 4.22Å; A169-F171 WeakPolarHBondContact O-CD2 3.28Å; A169-F171 WeakPolarHBondContact O-CE2 3.28Å; A169-F171 PolarHBondContact O-N 3.21Å; F171-L173 PolarHBondContact O-N 3.25Å; F171-L174 HydrophobicContact CB-CD1 4.34Å; F171-L174 HydrophobicContact CD1-CD1 3.7Å; F171-L174 HydrophobicContact CG-CD1 4.47Å; F171-L174 PolarHBondContact O-N 3.36Å |
| 172 | R | 92.8 | Very high | 94.2 | Very high | 252 Ų | 252 | 65 Ų | 65 | 95% | 0.951 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -68.7 | -20.1 | 177.1 | -64.6 | -175.4 | -178.6 | -177.8 | 0.7 | 113.7 | P170 | P170-R172 PolarHBondContact O-N 3.46Š|
| 173 | L | 93.9 | Very high | 94.5 | Very high | 93 Ų | 93 | 60 Ų | 60 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -94.8 | -2.6 | 180 | -59.6 | -176.6 | 0 | 0 | 0 | 113 | R77 P78 I79 P170 F171 | R77-L173 PolarHBondContact NH2-O 2.99Å; P78-L173 HydrophobicContact CG-CD1 3.81Å; I79-L173 HydrophobicContact CD1-CB 3.62Å; P170-L173 HydrophobicContact CB-CB 4.47Å; P170-L173 HydrophobicContact CB-CD1 3.95Å; P170-L173 HydrophobicContact CB-CG 4.22Å; P170-L173 HydrophobicContact CG-CD1 4.19Å; P170-L173 WeakPolarHBondContact O-CB 3.4Å; P170-L173 PolarHBondContact O-N 2.87Å; F171-L173 PolarHBondContact O-N 3.25Å |
| 174 | L | 95.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | trans | -68.6 | 132.8 | 176.6 | -62.8 | 172.3 | 0 | 0 | 0 | 110.1 | I79 L132 H141 L158 F171 Y176 | I79-L174 HydrophobicContact CD1-CD2 3.82Å; I79-L174 HydrophobicContact CD1-CG 4.34Å; I79-L174 HydrophobicContact CG1-CD2 4.32Å; I79-L174 HydrophobicContact CG2-CD2 4.01Å; L132-L174 HydrophobicContact CD2-CD1 4.24Å; L132-L174 HydrophobicContact CD2-CD2 4.34Å; H141-L174 HydrophobicContact CB-CD2 4.11Å; L158-L174 HydrophobicContact CD1-CD1 3.69Å; F171-L174 HydrophobicContact CB-CD1 4.34Å; F171-L174 HydrophobicContact CD1-CD1 3.7Å; F171-L174 HydrophobicContact CG-CD1 4.47Å; F171-L174 PolarHBondContact O-N 3.36Å; L174-Y176 WeakPolarHBondContact CB-O 3.3Å; L174-Y176 PolarHBondContact O-N 2.84Å | ||
| 175 | D | 94.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -69.3 | -17.2 | 177.2 | -70.7 | -9.3 | 0 | 0 | 0 | 112.3 | S47 R77 | S47-D175 WeakPolarHBondContact CB-OD2 3.47Å; S47-D175 PolarHBondContact N-OD2 3.27Å; S47-D175 PolarHBondContact OG-OD1 2.87Å; S47-D175 PolarHBondContact OG-OD2 2.83Å; R77-D175 IonicContact CZ-OD1 2.79Å; R77-D175 IonicContact CZ-OD2 3.67Å; R77-D175 IonicContact NH1-OD1 3.81Å; R77-D175 IonicContact NH1-OD2 3.53Å; R77-D175 PolarHBondContact NH1-OD2 3.33Å; R77-D175 VanDerWaalsContact NH1-OD2 3.15Å; R77-D175 IonicContact NH2-OD1 3.93Å; R77-D175 PolarHBondContact NH2-OD1 3.42Å; R77-D175 IonicContact NH2-OD2 2.82Å |
| 176 | Y | 96.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -134.3 | 153.5 | -175.9 | -59 | -94.7 | 0 | 0 | 0 | 111.7 | A45 V143 H155 L174 Y183 R211 | A45-Y176 HydrophobicContact CB-CE2 3.85Å; A45-Y176 WeakPolarHBondContact O-CE2 3.48Å; A45-Y176 PolarHBondContact O-OH 3.31Å; A45-Y176 VanDerWaalsContact O-OH 3.07Å; V143-Y176 HydrophobicContact CG1-CD1 4.46Å; V143-Y176 HydrophobicContact CG2-CD1 4.35Å; V143-Y176 HydrophobicContact CG2-CD2 3.83Å; V143-Y176 HydrophobicContact CG2-CG 3.7Å; H155-Y176 AromaticContact NE2-CD1 3.64Å; L174-Y176 WeakPolarHBondContact CB-O 3.3Å; L174-Y176 PolarHBondContact O-N 2.84Å; Y176-Y183 AromaticContact CE1-CZ 3.99Å; Y176-Y183 VanDerWaalsContact CE1-OH 3.3Å; Y176-Y183 WeakPolarHBondContact CE1-OH 3.45Å; Y176-R211 HydrophobicContact CE1-CG 4.25Å |
| 177 | G | 94.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 106.9 | -13.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L158 R159 H179 | L158-G177 PolarHBondContact N-O 3.19Å; R159-G177 PolarHBondContact NH1-O 3.49Å; G177-H179 VanDerWaalsContact C-N 3.34Å; G177-H179 PolarHBondContact O-N 3.22Å |
| 178 | R | 95.5 | Very high | 95.3 | Very high | 203 Ų | 203 | 59 Ų | 59 | 77% | 0.766 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -58.7 | -48.7 | 172.6 | -171.1 | -178.4 | 178.9 | 173.6 | -0.4 | 111 | R159 | R159-R178 PolarHBondContact NH1-O 3.23Å; R159-R178 PolarHBondContact NH2-O 2.83Å |
| 179 | H | 96.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -127.7 | 162.7 | 174.1 | -55.4 | -71.6 | 0 | 0 | 0 | 109.8 | H155 G177 R215 | H155-H179 PolarHBondContact CE1-O 2.63Å; G177-H179 VanDerWaalsContact C-N 3.34Å; G177-H179 PolarHBondContact O-N 3.22Å; H179-R215 HydrophobicContact CB-CG 4.06Å |
| 180 | A | 97.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 66.7 Ų | 66.7 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | trans | -64.8 | 156.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | W154 H155 F216 | W154-A180 HydrophobicContact CZ2-CB 4.17Å; H155-A180 CarbonylContact O-C 3.56Å; H155-A180 WeakPolarHBondContact O-CA 3.21Å; H155-A180 WeakPolarHBondContact O-CB 3.46Å; A180-F216 HydrophobicContact CB-CB 4.28Å; A180-F216 PolarHBondContact O-N 3.11Å | ||
| 181 | G | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 154.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | W154 H155 A214 | W154-G181 CarbonylContact C-O 3.36Å; W154-G181 VanDerWaalsContact CA-O 3.27Å; W154-G181 WeakPolarHBondContact CA-O 3.27Å; H155-G181 PolarHBondContact CE1-N 3.37Å; H155-G181 VanDerWaalsContact CE1-N 3.33Å; H155-G181 PolarHBondContact N-O 2.93Å; H155-G181 PolarHBondContact O-N 3.43Å; G181-A214 CarbonylContact C-O 3.48Å; G181-A214 WeakPolarHBondContact CA-O 3.23Å |
| 182 | A | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y152 L153 A214 F216 W369 | Y152-A182 HydrophobicContact CD2-CB 3.74Å; Y152-A182 HydrophobicContact CE2-CB 3.77Å; L153-A182 CarbonylContact O-C 3.53Å; L153-A182 VanDerWaalsContact O-CA 3.24Å; L153-A182 WeakPolarHBondContact O-CA 3.24Å; A182-A214 PolarHBondContact N-O 3.3Å; A182-F216 HydrophobicContact CB-CB 4.34Å; A182-F216 HydrophobicContact CB-CD2 3.56Å; A182-F216 HydrophobicContact CB-CE2 4.28Å; A182-F216 HydrophobicContact CB-CG 4.31Å; A182-W369 HydrophobicContact CB-CB 3.95Å; A182-W369 HydrophobicContact CB-CG 4.14Å |
| 183 | Y | 95.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.9 | -173.3 | -57.6 | -101 | 0 | 0 | 0 | 109.7 | Y152 L153 H155 Y176 F207 Q210 R211 A214 | Y152-Y183 WeakPolarHBondContact CB-O 3.41Å; L153-Y183 PolarHBondContact N-O 3.18Å; L153-Y183 PolarHBondContact O-N 2.86Å; H155-Y183 AromaticContact CD2-CE2 3.28Å; H155-Y183 WeakPolarHBondContact CD2-CE2 3.28Å; H155-Y183 AromaticContact CD2-CZ 3.99Å; H155-Y183 AromaticContact NE2-CE2 3.41Å; H155-Y183 WeakPolarHBondContact NE2-CE2 3.27Å; H155-Y183 AromaticContact NE2-CZ 3.76Å; H155-Y183 PolarHBondContact NE2-OH 3.29Å; Y176-Y183 AromaticContact CE1-CZ 3.99Å; Y176-Y183 VanDerWaalsContact CE1-OH 3.3Å; Y176-Y183 WeakPolarHBondContact CE1-OH 3.45Å; Y183-F207 HydrophobicContact CD1-CE2 4.13Å; Y183-Q210 HydrophobicContact CD1-CB 4.43Å; Y183-R211 HydrophobicContact CE1-CB 4.01Å; Y183-R211 HydrophobicContact CE1-CG 4.28Å; Y183-A214 HydrophobicContact CE1-CB 3.8Å; Y183-A214 HydrophobicContact CE2-CB 3.76Å; Y183-A214 VanDerWaalsContact OH-CB 3.27Å; Y183-A214 WeakPolarHBondContact OH-CB 3.29Å |
| 184 | D | 94.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -64 | 152.2 | 161.7 | -58.1 | -17.6 | 0 | 0 | 0 | 108.8 | P186 R206 K376 | D184-P186 WeakPolarHBondContact O-CD 3.48Å; D184-P186 VanDerWaalsContact O-N 3.14Å; D184-R206 IonicContact OD2-NH2 2.92Å; D184-R206 PolarHBondContact OD2-NH2 2.78Å; D184-K376 IonicContact OD1-NZ 2.94Å; D184-K376 PolarHBondContact OD1-NZ 3.13Å | ||
| 185 | R | 93.1 | Very high | 94.3 | Very high | 150 Ų | 150 | 55.9 Ų | 55.9 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | trans | -63.9 | 115.2 | 175.8 | 179.8 | 176.7 | -69.8 | 172 | -0 | 109.3 | E147 | E147-R185 IonicContact OE1-CZ 3Å; E147-R185 IonicContact OE1-NH2 3.83Å; E147-R185 PolarHBondContact OE1-NH2 3.45Å; E147-R185 IonicContact OE2-NH2 2.7Å; E147-R185 PolarHBondContact OE2-NH2 3.24Å | ||
| 186 | P | 94 | Very high | 94.2 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | trans | -75.1 | 140 | 178.1 | 31.4 | -33 | 0 | 0 | 0 | 109.8 | F43 D184 L188 P201 F207 | F43-P186 HydrophobicContact CE2-CG 4.4Å; F43-P186 HydrophobicContact CZ-CG 4.15Å; D184-P186 WeakPolarHBondContact O-CD 3.48Å; D184-P186 VanDerWaalsContact O-N 3.14Å; P186-L188 HydrophobicContact CB-CD2 4.23Å; P186-L188 HydrophobicContact CG-CD2 4.02Å; P186-P201 HydrophobicContact CB-CB 4.35Å; P186-F207 HydrophobicContact CB-CD2 4.46Å | ||
| 187 | E | 95.3 | Very high | 94.1 | Very high | 114 Ų | 114 | 59.1 Ų | 59.1 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | trans | -72.8 | 133.3 | 159.4 | -164 | -169.4 | 158.6 | 0 | 0 | 108.4 | R202 | E187-R202 HydrophobicContact CB-CB 4.25Å; E187-R202 PolarHBondContact O-N 2.84Å; E187-R202 IonicContact OE1-CZ 3.93Å; E187-R202 IonicContact OE1-NE 2.97Å; E187-R202 PolarHBondContact OE1-NE 3.41Å; E187-R202 IonicContact OE1-NH2 3.16Å; E187-R202 PolarHBondContact OE1-NH2 2.85Å; E187-R202 VanDerWaalsContact OE2-CD 3.25Å; E187-R202 WeakPolarHBondContact OE2-CD 3.21Å; E187-R202 IonicContact OE2-CZ 3.99Å; E187-R202 IonicContact OE2-NE 2.73Å; E187-R202 PolarHBondContact OE2-NE 3.24Å | ||
| 188 | L | 95.7 | Very high | 94.1 | Very high | 55 Ų | 55 | 59 Ų | 59 | 29% | 0.288 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.1 | -175.1 | -60.1 | 177.5 | 0 | 0 | 0 | 110.7 | F43 P186 V200 | F43-L188 HydrophobicContact CB-CD1 3.98Å; F43-L188 HydrophobicContact CB-CD2 3.84Å; F43-L188 HydrophobicContact CD1-CD1 3.84Å; F43-L188 HydrophobicContact CD1-CD2 4.13Å; F43-L188 HydrophobicContact CD2-CD2 3.8Å; F43-L188 HydrophobicContact CE2-CD2 4.32Å; F43-L188 HydrophobicContact CG-CD1 4.03Å; F43-L188 HydrophobicContact CG-CD2 3.67Å; P186-L188 HydrophobicContact CB-CD2 4.23Å; P186-L188 HydrophobicContact CG-CD2 4.02Å; L188-V200 WeakPolarHBondContact CA-O 3.48Å |
| 189 | L | 95.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 37% | 0.366 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.3 | 174.5 | -176.5 | 110.3 | 0 | 0 | 0 | 109.1 | R199 V200 | L189-R199 CarbonylContact O-C 3.48Å; L189-R199 VanDerWaalsContact O-CA 3.28Å; L189-R199 WeakPolarHBondContact O-CA 3.36Å; L189-V200 HydrophobicContact CB-CG2 4.4Å; L189-V200 HydrophobicContact CD2-CG2 4.4Å; L189-V200 PolarHBondContact N-O 3.16Å; L189-V200 PolarHBondContact O-N 3.33Å |
| 190 | L | 94.7 | Very high | 94.2 | Very high | 116 Ų | 116 | 51.5 Ų | 51.5 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 128 | 168.2 | -176.3 | 66.3 | 0 | 0 | 0 | 109.1 | D197 R199 | L190-D197 HydrophobicContact CD1-CB 4.35Å; L190-R199 HydrophobicContact CD1-CG 3.93Å |
| 191 | T | 92.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 172.8 | 178.5 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | V193 V198 V200 | T191-V193 HydrophobicContact CG2-CG2 3.92Å; T191-V198 PolarHBondContact N-O 3.04Å; T191-V198 PolarHBondContact O-N 3.09Å; T191-V198 VanDerWaalsContact O-O 3.04Å; T191-V200 HydrophobicContact CG2-CG1 4.17Å; T191-V200 HydrophobicContact CG2-CG2 3.89Å |
| 192 | V | 91.7 | Very high | 94 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.8 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | L196 | V192-L196 WeakPolarHBondContact CA-O 3.34Å |
| 193 | V | 90.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 108 | L53 F72 L73 T191 G195 L196 V198 | L53-V193 HydrophobicContact CD1-CG1 4.43Å; L53-V193 HydrophobicContact CD1-CG2 4.1Å; L53-V193 HydrophobicContact CD2-CG1 4.04Å; L53-V193 HydrophobicContact CD2-CG2 4.1Å; F72-V193 HydrophobicContact CB-CG1 3.65Å; F72-V193 HydrophobicContact CD2-CG1 4.04Å; F72-V193 HydrophobicContact CG-CG1 4.08Å; L73-V193 HydrophobicContact CD1-CB 4.13Å; L73-V193 HydrophobicContact CD1-CG1 3.98Å; L73-V193 HydrophobicContact CD2-CG1 4.33Å; L73-V193 HydrophobicContact CG-CB 4.43Å; L73-V193 HydrophobicContact CG-CG1 3.77Å; T191-V193 HydrophobicContact CG2-CG2 3.92Å; V193-G195 PolarHBondContact O-N 3.19Å; V193-G195 VanDerWaalsContact O-N 3.16Å; V193-L196 PolarHBondContact N-O 3.01Å; V193-L196 WeakPolarHBondContact O-CB 3.39Å; V193-L196 PolarHBondContact O-N 2.82Å; V193-V198 HydrophobicContact CB-CG2 4.47Å; V193-V198 HydrophobicContact CG2-CB 4.36Å |
| 194 | D | 89.8 | Confident | 93.9 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 15% | 0.15 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.5 | -176.9 | -59.7 | -37.6 | 0 | 0 | 0 | 113.4 | W25 C70 S71 F72 L73 L196 | W25-D194 PolarHBondContact NE1-O 3.39Å; C70-D194 HydrophobicContact CB-CB 4.19Å; C70-D194 VanDerWaalsContact SG-CG 3.5Å; C70-D194 PolarHBondContact SG-OD2 3.04Å; S71-D194 VanDerWaalsContact N-CG 3.3Å; S71-D194 PolarHBondContact N-OD1 2.8Å; S71-D194 PolarHBondContact N-OD2 3.4Å; F72-D194 WeakPolarHBondContact CA-OD2 3.47Å; F72-D194 WeakPolarHBondContact CD2-OD1 3.48Å; F72-D194 PolarHBondContact N-OD1 3.48Å; F72-D194 PolarHBondContact N-OD2 3.18Å; L73-D194 PolarHBondContact N-OD2 3.22Å; D194-L196 VanDerWaalsContact C-N 3.28Å; D194-L196 PolarHBondContact O-N 2.88Å |
| 195 | G | 89.1 | Confident | 93.9 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 64% | 0.639 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 11.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V193 | V193-G195 PolarHBondContact O-N 3.19Å; V193-G195 VanDerWaalsContact O-N 3.16Å |
| 196 | L | 92.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.7 | 176.9 | -55.7 | 177.5 | 0 | 0 | 0 | 110.5 | W25 L28 K29 L32 L73 V192 V193 D194 V198 | W25-L196 HydrophobicContact CZ2-CD2 3.89Å; W25-L196 HydrophobicContact CZ2-CG 4.4Å; L28-L196 HydrophobicContact CB-CD1 4.23Å; K29-L196 HydrophobicContact CB-CD1 4.48Å; K29-L196 HydrophobicContact CB-CD2 3.82Å; K29-L196 HydrophobicContact CD-CD2 4.29Å; K29-L196 HydrophobicContact CG-CD2 3.84Å; L32-L196 HydrophobicContact CD1-CB 4.17Å; L32-L196 HydrophobicContact CD1-CD1 4.12Å; L73-L196 HydrophobicContact CD1-CD1 4.21Å; V192-L196 WeakPolarHBondContact CA-O 3.34Å; V193-L196 PolarHBondContact N-O 3.01Å; V193-L196 WeakPolarHBondContact O-CB 3.39Å; V193-L196 PolarHBondContact O-N 2.82Å; D194-L196 VanDerWaalsContact C-N 3.28Å; D194-L196 PolarHBondContact O-N 2.88Å; L196-V198 HydrophobicContact CB-CG2 4.25Å; L196-V198 PolarHBondContact O-N 3.33Å |
| 197 | D | 92.9 | Very high | 94 | Very high | 95 Ų | 95 | 61.1 Ų | 61.1 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 117.1 | 172.1 | -70.9 | -36.8 | 0 | 0 | 0 | 110.1 | L190 | L190-D197 HydrophobicContact CD1-CB 4.35Å |
| 198 | V | 94.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.3 | -175.5 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | L32 L44 L73 F82 T191 V193 L196 V200 | L32-V198 HydrophobicContact CD1-CG2 3.99Å; L44-V198 HydrophobicContact CB-CG1 3.72Å; L44-V198 HydrophobicContact CD2-CG1 4.47Å; L73-V198 HydrophobicContact CD1-CG2 4.19Å; F82-V198 HydrophobicContact CE1-CG1 4.41Å; T191-V198 PolarHBondContact N-O 3.04Å; T191-V198 PolarHBondContact O-N 3.09Å; T191-V198 VanDerWaalsContact O-O 3.04Å; V193-V198 HydrophobicContact CB-CG2 4.47Å; V193-V198 HydrophobicContact CG2-CB 4.36Å; L196-V198 HydrophobicContact CB-CG2 4.25Å; L196-V198 PolarHBondContact O-N 3.33Å; V198-V200 HydrophobicContact CG1-CG1 4.15Å |
| 199 | R | 97 | Very high | 94 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133.6 | 168.2 | -60.6 | 179.1 | -173.5 | -167.2 | 1.3 | 109.6 | L42 F43 L44 L189 L190 | L42-R199 WeakPolarHBondContact O-CB 3.4Å; F43-R199 CarbonylContact C-O 3.6Å; F43-R199 VanDerWaalsContact CA-O 3.24Å; F43-R199 WeakPolarHBondContact CA-O 3.4Å; F43-R199 HydrophobicContact CB-CB 3.74Å; F43-R199 WeakPolarHBondContact CB-O 3.43Å; L44-R199 PolarHBondContact N-O 2.82Å; L189-R199 CarbonylContact O-C 3.48Å; L189-R199 VanDerWaalsContact O-CA 3.28Å; L189-R199 WeakPolarHBondContact O-CA 3.36Å; L190-R199 HydrophobicContact CD1-CG 3.93Å |
| 200 | V | 97.1 | Very high | 94 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.7 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | L44 L50 L53 L188 L189 T191 V198 R202 | L44-V200 HydrophobicContact CB-CG1 4.21Å; L44-V200 HydrophobicContact CD2-CG1 4.28Å; L50-V200 HydrophobicContact CD2-CB 4.41Å; L50-V200 HydrophobicContact CD2-CG1 4.43Å; L53-V200 HydrophobicContact CD1-CG1 4.27Å; L188-V200 WeakPolarHBondContact CA-O 3.48Å; L189-V200 HydrophobicContact CB-CG2 4.4Å; L189-V200 HydrophobicContact CD2-CG2 4.4Å; L189-V200 PolarHBondContact N-O 3.16Å; L189-V200 PolarHBondContact O-N 3.33Å; T191-V200 HydrophobicContact CG2-CG1 4.17Å; T191-V200 HydrophobicContact CG2-CG2 3.89Å; V198-V200 HydrophobicContact CG1-CG1 4.15Å; V200-R202 PolarHBondContact O-N 2.98Å |
| 201 | P | 96.8 | Very high | 94 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 131.6 | 169.7 | -21.7 | 33.3 | 0 | 0 | 0 | 110.8 | F43 P186 N203 I204 F207 | F43-P201 HydrophobicContact CD2-CG 4.37Å; F43-P201 HydrophobicContact CE2-CG 4.47Å; P186-P201 HydrophobicContact CB-CB 4.35Å; P201-N203 VanDerWaalsContact C-N 3.27Å; P201-N203 PolarHBondContact O-N 3.41Å; P201-I204 VanDerWaalsContact O-CG1 3.23Å; P201-I204 WeakPolarHBondContact O-CG1 3.47Å; P201-F207 HydrophobicContact CB-CB 3.89Å; P201-F207 HydrophobicContact CB-CD2 4.31Å; P201-F207 HydrophobicContact CB-CG 4.05Å; P201-F207 HydrophobicContact CG-CB 4.05Å; P201-F207 HydrophobicContact CG-CD1 3.89Å; P201-F207 HydrophobicContact CG-CD2 3.96Å; P201-F207 HydrophobicContact CG-CE1 4.32Å; P201-F207 HydrophobicContact CG-CE2 4.38Å; P201-F207 HydrophobicContact CG-CG 3.69Å |
| 202 | R | 95.2 | Very high | 94.1 | Very high | 149 Ų | 149 | 57.9 Ų | 57.9 | 56% | 0.562 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -57 | -41.8 | 179.2 | -177.5 | -173.1 | -76.5 | -95.1 | 5.6 | 111.6 | E187 V200 | E187-R202 HydrophobicContact CB-CB 4.25Å; E187-R202 PolarHBondContact O-N 2.84Å; E187-R202 IonicContact OE1-CZ 3.93Å; E187-R202 IonicContact OE1-NE 2.97Å; E187-R202 PolarHBondContact OE1-NE 3.41Å; E187-R202 IonicContact OE1-NH2 3.16Å; E187-R202 PolarHBondContact OE1-NH2 2.85Å; E187-R202 VanDerWaalsContact OE2-CD 3.25Å; E187-R202 WeakPolarHBondContact OE2-CD 3.21Å; E187-R202 IonicContact OE2-CZ 3.99Å; E187-R202 IonicContact OE2-NE 2.73Å; E187-R202 PolarHBondContact OE2-NE 3.24Å; V200-R202 PolarHBondContact O-N 2.98Å |
| 203 | N | 94.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 57.9 Ų | 57.9 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -106.7 | 84.4 | 174.4 | -169.9 | -25.1 | 0 | 0 | 0 | 109.9 | P201 S205 R206 F207 | P201-N203 VanDerWaalsContact C-N 3.27Å; P201-N203 PolarHBondContact O-N 3.41Å; N203-S205 PolarHBondContact O-N 3.3Å; N203-R206 HydrophobicContact CB-CB 4.1Å; N203-R206 VanDerWaalsContact CG-CB 3.41Å; N203-R206 PolarHBondContact O-N 2.87Å; N203-R206 VanDerWaalsContact OD1-CB 3.3Å; N203-R206 WeakPolarHBondContact OD1-CB 3.36Å; N203-R206 PolarHBondContact OD1-N 2.83Å; N203-F207 PolarHBondContact O-N 2.86Å |
| 204 | I | 95.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | -177.2 | -61.1 | 179.2 | 0 | 0 | 0 | 111.3 | L50 L53 P201 R206 F207 L208 | L50-I204 HydrophobicContact CB-CG2 3.8Å; L50-I204 HydrophobicContact CD2-CD1 4.3Å; L50-I204 HydrophobicContact CD2-CG1 4.33Å; L50-I204 HydrophobicContact CD2-CG2 4.13Å; L50-I204 HydrophobicContact CG-CG2 4.47Å; L50-I204 WeakPolarHBondContact O-CG2 3.42Å; L53-I204 HydrophobicContact CB-CD1 4.01Å; P201-I204 VanDerWaalsContact O-CG1 3.23Å; P201-I204 WeakPolarHBondContact O-CG1 3.47Å; I204-R206 PolarHBondContact O-N 2.77Å; I204-F207 WeakPolarHBondContact O-CB 3.48Å; I204-F207 PolarHBondContact O-N 3.22Å; I204-F207 VanDerWaalsContact O-N 3.13Å; I204-L208 HydrophobicContact CG2-CD1 3.95Å; I204-L208 HydrophobicContact CG2-CG 4.26Å; I204-L208 WeakPolarHBondContact O-CG 3.48Å; I204-L208 PolarHBondContact O-N 3.02Å |
| 205 | S | 94.4 | Very high | 95 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | -178.9 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | S54 N203 F207 L208 V209 | S54-S205 PolarHBondContact OG-OG 2.79Å; S54-S205 VanDerWaalsContact OG-OG 3.05Å; N203-S205 PolarHBondContact O-N 3.3Å; S205-F207 VanDerWaalsContact C-N 3.35Å; S205-F207 PolarHBondContact O-N 3.47Å; S205-L208 PolarHBondContact O-N 2.93Å; S205-V209 WeakPolarHBondContact O-CG2 3.3Å; S205-V209 PolarHBondContact O-N 2.91Å; S205-V209 VanDerWaalsContact O-N 3.09Å |
| 206 | R | 93.6 | Very high | 95.4 | Very high | 122 Ų | 122 | 58.2 Ų | 58.2 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175 | -177.6 | 178.1 | 169.8 | 162.7 | -0.9 | 111.9 | D184 N203 I204 V209 Q210 | D184-R206 IonicContact OD2-NH2 2.92Å; D184-R206 PolarHBondContact OD2-NH2 2.78Å; N203-R206 HydrophobicContact CB-CB 4.1Å; N203-R206 VanDerWaalsContact CG-CB 3.41Å; N203-R206 PolarHBondContact O-N 2.87Å; N203-R206 VanDerWaalsContact OD1-CB 3.3Å; N203-R206 WeakPolarHBondContact OD1-CB 3.36Å; N203-R206 PolarHBondContact OD1-N 2.83Å; I204-R206 PolarHBondContact O-N 2.77Å; R206-V209 PolarHBondContact O-N 3.19Å; R206-Q210 WeakPolarHBondContact O-CB 3.31Å; R206-Q210 WeakPolarHBondContact O-CG 3.48Å; R206-Q210 PolarHBondContact O-N 2.8Å |
| 207 | F | 95.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 177.1 | -177.7 | -96.2 | 0 | 0 | 0 | 112 | F43 L50 Y183 P186 P201 N203 I204 S205 Q210 R211 | F43-F207 HydrophobicContact CE2-CE2 4.14Å; F43-F207 HydrophobicContact CE2-CZ 4.04Å; L50-F207 HydrophobicContact CD1-CD1 3.77Å; L50-F207 HydrophobicContact CD1-CE1 3.82Å; Y183-F207 HydrophobicContact CD1-CE2 4.13Å; P186-F207 HydrophobicContact CB-CD2 4.46Å; P201-F207 HydrophobicContact CB-CB 3.89Å; P201-F207 HydrophobicContact CB-CD2 4.31Å; P201-F207 HydrophobicContact CB-CG 4.05Å; P201-F207 HydrophobicContact CG-CB 4.05Å; P201-F207 HydrophobicContact CG-CD1 3.89Å; P201-F207 HydrophobicContact CG-CD2 3.96Å; P201-F207 HydrophobicContact CG-CE1 4.32Å; P201-F207 HydrophobicContact CG-CE2 4.38Å; P201-F207 HydrophobicContact CG-CG 3.69Å; N203-F207 PolarHBondContact O-N 2.86Å; I204-F207 WeakPolarHBondContact O-CB 3.48Å; I204-F207 PolarHBondContact O-N 3.22Å; I204-F207 VanDerWaalsContact O-N 3.13Å; S205-F207 VanDerWaalsContact C-N 3.35Å; S205-F207 PolarHBondContact O-N 3.47Å; F207-Q210 PolarHBondContact O-N 2.69Å; F207-R211 PolarHBondContact O-N 2.85Å |
| 208 | L | 96.2 | Very high | 95.6 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177.1 | -71 | 173.2 | 0 | 0 | 0 | 112.5 | L50 A51 I204 S205 R211 Q212 | L50-L208 HydrophobicContact CB-CD2 4.07Å; L50-L208 HydrophobicContact CB-CG 4.48Å; A51-L208 HydrophobicContact CB-CD1 4.19Å; I204-L208 HydrophobicContact CG2-CD1 3.95Å; I204-L208 HydrophobicContact CG2-CG 4.26Å; I204-L208 WeakPolarHBondContact O-CG 3.48Å; I204-L208 PolarHBondContact O-N 3.02Å; S205-L208 PolarHBondContact O-N 2.93Å; L208-R211 PolarHBondContact O-N 2.91Å; L208-Q212 PolarHBondContact O-N 3.17Å |
| 209 | V | 94.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 57.8 Ų | 57.8 | 44% | 0.442 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 173.4 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | S205 R206 R211 Q212 E213 | S205-V209 WeakPolarHBondContact O-CG2 3.3Å; S205-V209 PolarHBondContact O-N 2.91Å; S205-V209 VanDerWaalsContact O-N 3.09Å; R206-V209 PolarHBondContact O-N 3.19Å; V209-R211 PolarHBondContact O-N 3.32Å; V209-Q212 WeakPolarHBondContact O-CB 3.09Å; V209-Q212 PolarHBondContact O-N 3.01Å; V209-E213 PolarHBondContact O-N 3.47Å |
| 210 | Q | 94.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 13% | 0.131 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.3 | -38.4 | 177.6 | -80.1 | -171.3 | 68 | 0 | 0 | 112.3 | Y183 R206 F207 Q212 E213 A214 | Y183-Q210 HydrophobicContact CD1-CB 4.43Å; R206-Q210 WeakPolarHBondContact O-CB 3.31Å; R206-Q210 WeakPolarHBondContact O-CG 3.48Å; R206-Q210 PolarHBondContact O-N 2.8Å; F207-Q210 PolarHBondContact O-N 2.69Å; Q210-Q212 PolarHBondContact O-N 3.23Å; Q210-E213 CarbonylContact O-C 3.5Å; Q210-E213 PolarHBondContact O-N 2.73Å; Q210-A214 VanDerWaalsContact O-CA 3.28Å; Q210-A214 WeakPolarHBondContact O-CA 3.13Å; Q210-A214 VanDerWaalsContact O-CB 3.28Å; Q210-A214 WeakPolarHBondContact O-CB 3.31Å; Q210-A214 PolarHBondContact O-N 2.94Å |
| 211 | R | 95.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.5 | -171 | -168.2 | 67.6 | 101 | -4.2 | 112.7 | S47 Y176 Y183 F207 L208 V209 E213 A214 | S47-R211 PolarHBondContact OG-NH2 2.96Å; Y176-R211 HydrophobicContact CE1-CG 4.25Å; Y183-R211 HydrophobicContact CE1-CB 4.01Å; Y183-R211 HydrophobicContact CE1-CG 4.28Å; F207-R211 PolarHBondContact O-N 2.85Å; L208-R211 PolarHBondContact O-N 2.91Å; V209-R211 PolarHBondContact O-N 3.32Å; R211-E213 VanDerWaalsContact C-N 3.26Å; R211-E213 PolarHBondContact O-N 2.9Å; R211-A214 WeakPolarHBondContact O-CB 3.44Å; R211-A214 PolarHBondContact O-N 3.2Å |
| 212 | Q | 94.3 | Very high | 94.8 | Very high | 149 Ų | 149 | 63.1 Ų | 63.1 | 70% | 0.696 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.3 | -34.4 | 177.7 | -67.6 | 174.9 | -0.6 | 0 | 0 | 111.4 | L208 V209 Q210 | L208-Q212 PolarHBondContact O-N 3.17Å; V209-Q212 WeakPolarHBondContact O-CB 3.09Å; V209-Q212 PolarHBondContact O-N 3.01Å; Q210-Q212 PolarHBondContact O-N 3.23Å |
| 213 | E | 95.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 59 Ų | 59 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 6.6 | 178.4 | -60.9 | -177.8 | -169.9 | 0 | 0 | 113.7 | V209 Q210 R211 R215 W369 R378 | V209-E213 PolarHBondContact O-N 3.47Å; Q210-E213 CarbonylContact O-C 3.5Å; Q210-E213 PolarHBondContact O-N 2.73Å; R211-E213 VanDerWaalsContact C-N 3.26Å; R211-E213 PolarHBondContact O-N 2.9Å; E213-R215 PolarHBondContact O-N 3.39Å; E213-W369 PolarHBondContact O-NE1 3Å; E213-R378 IonicContact OE2-NH2 2.68Å; E213-R378 PolarHBondContact OE2-NH2 2.95Å |
| 214 | A | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | trans | -72.2 | -17.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G181 A182 Y183 Q210 R211 F216 | G181-A214 CarbonylContact C-O 3.48Å; G181-A214 WeakPolarHBondContact CA-O 3.23Å; A182-A214 PolarHBondContact N-O 3.3Å; Y183-A214 HydrophobicContact CE1-CB 3.8Å; Y183-A214 HydrophobicContact CE2-CB 3.76Å; Y183-A214 VanDerWaalsContact OH-CB 3.27Å; Y183-A214 WeakPolarHBondContact OH-CB 3.29Å; Q210-A214 VanDerWaalsContact O-CA 3.28Å; Q210-A214 WeakPolarHBondContact O-CA 3.13Å; Q210-A214 VanDerWaalsContact O-CB 3.28Å; Q210-A214 WeakPolarHBondContact O-CB 3.31Å; Q210-A214 PolarHBondContact O-N 2.94Å; R211-A214 WeakPolarHBondContact O-CB 3.44Å; R211-A214 PolarHBondContact O-N 3.2Å; A214-F216 PolarHBondContact O-N 3.46Å; A214-F216 VanDerWaalsContact O-N 3.16Å | ||
| 215 | R | 98.1 | Very high | 94.7 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -47.9 | 123.5 | -170.2 | -178 | 174.4 | 172 | -175.7 | -2.5 | 110.8 | H179 E213 C368 W369 | H179-R215 HydrophobicContact CB-CG 4.06Å; E213-R215 PolarHBondContact O-N 3.39Å; R215-C368 WeakPolarHBondContact CD-SG 3.13Å; R215-C368 VanDerWaalsContact CG-SG 3.57Å; R215-C368 CarbonylContact O-C 3.53Å; R215-C368 WeakPolarHBondContact O-CA 3.15Å; R215-W369 PolarHBondContact O-N 2.8Å |
| 216 | F | 97.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -112.3 | 134.1 | -176.7 | -172.5 | -90 | 0 | 0 | 0 | 111 | Y152 W154 A180 A182 A214 E218 W369 E371 | Y152-F216 AromaticContact CE2-CE2 3.97Å; Y152-F216 HydrophobicContact CE2-CE2 3.97Å; Y152-F216 WeakPolarHBondContact OH-CE2 3.25Å; W154-F216 AromaticContact CD1-CD1 3.73Å; W154-F216 AromaticContact CD1-CE1 4Å; W154-F216 AromaticContact CD1-CG 3.93Å; W154-F216 AromaticContact NE1-CD1 3.57Å; W154-F216 AromaticContact NE1-CE1 3.94Å; A180-F216 HydrophobicContact CB-CB 4.28Å; A180-F216 PolarHBondContact O-N 3.11Å; A182-F216 HydrophobicContact CB-CB 4.34Å; A182-F216 HydrophobicContact CB-CD2 3.56Å; A182-F216 HydrophobicContact CB-CE2 4.28Å; A182-F216 HydrophobicContact CB-CG 4.31Å; A214-F216 PolarHBondContact O-N 3.46Å; A214-F216 VanDerWaalsContact O-N 3.16Å; F216-E218 HydrophobicContact CE1-CB 4.4Å; F216-E218 WeakPolarHBondContact CE1-OE2 3.47Å; F216-W369 CarbonylContact C-O 3.52Å; F216-W369 VanDerWaalsContact CA-O 3.28Å; F216-W369 WeakPolarHBondContact CA-O 3.23Å; F216-W369 HydrophobicContact CD2-CB 3.74Å; F216-E371 HydrophobicContact CZ-CB 4.22Å |
| 217 | L | 97 | Very high | 94.9 | Very high | 37 Ų | 37 | 52 Ų | 52 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | trans | -107.9 | 120.2 | 171.3 | -60.6 | -175.7 | 0 | 0 | 0 | 109.1 | W274 C368 W369 V379 | L217-W274 HydrophobicContact CB-CH2 3.98Å; L217-W274 HydrophobicContact CB-CZ2 4.26Å; L217-W274 HydrophobicContact CD1-CH2 4.43Å; L217-C368 HydrophobicContact CD1-CB 3.9Å; L217-C368 HydrophobicContact CG-CB 3.77Å; L217-W369 PolarHBondContact N-O 2.65Å; L217-V379 HydrophobicContact CD1-CG2 4.03Å | ||
| 218 | E | 93.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 53 Ų | 53 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | -75.8 | 153.7 | 173 | -166.9 | 53.6 | -101.2 | 0 | 0 | 110.4 | P114 R148 F216 Y221 | P114-E218 HydrophobicContact CB-CG 4.31Å; P114-E218 WeakPolarHBondContact CB-OE2 3.32Å; R148-E218 IonicContact NH1-OE2 3.38Å; R148-E218 IonicContact NH2-OE1 3.39Å; F216-E218 HydrophobicContact CE1-CB 4.4Å; F216-E218 WeakPolarHBondContact CE1-OE2 3.47Å; E218-Y221 HydrophobicContact CG-CE2 4.17Å | ||
| 219 | C | 91.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | trans | -62.7 | 146.5 | 170.4 | -161.6 | 0 | 0 | 0 | 0 | 111.7 | Y221 W274 C278 | C219-Y221 HydrophobicContact CB-CD2 4.28Å; C219-Y221 HydrophobicContact CB-CE1 4.42Å; C219-Y221 HydrophobicContact CB-CE2 3.99Å; C219-Y221 WeakPolarHBondContact O-CD2 3.27Å; C219-Y221 PolarHBondContact O-N 3.17Å; C219-W274 PolarHBondContact SG-O 3.12Å; C219-W274 VanDerWaalsContact SG-O 3.37Å; C219-C278 HydrophobicContact CB-CB 3.97Å; C219-C278 WeakPolarHBondContact CB-SG 3.44Å; C219-C278 WeakPolarHBondContact SG-CA 3.46Å; C219-C278 WeakPolarHBondContact SG-CB 3.38Å; C219-C278 CovalentContact SG-SG 2.01Å; C219-C278 PolarHBondContact SG-SG 3.03Å | ||
| 220 | R | 93.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 29% | 0.291 | 28% | 0.284 | S | S | . | . | trans | -79.8 | 63.4 | 176 | -64.8 | 171.3 | 56.7 | -146.1 | 5.5 | 111.1 | H222 D223 A224 Y275 | R220-H222 PolarHBondContact O-N 3.49Å; R220-H222 VanDerWaalsContact O-N 3.13Å; R220-D223 HydrophobicContact CB-CB 4.15Å; R220-D223 IonicContact CZ-OD2 3.56Å; R220-D223 IonicContact NE-OD2 2.81Å; R220-D223 PolarHBondContact NE-OD2 3.35Å; R220-D223 IonicContact NH2-OD2 3.85Å; R220-D223 PolarHBondContact NH2-OD2 3.47Å; R220-D223 PolarHBondContact O-N 2.88Å; R220-A224 WeakPolarHBondContact O-CB 3.25Å; R220-A224 PolarHBondContact O-N 2.89Å; R220-Y275 VanDerWaalsContact NH1-CZ 3.28Å; R220-Y275 PolarHBondContact NH1-OH 3.45Å | ||
| 221 | Y | 91.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52.5 | -38.7 | -174.7 | -71.5 | -73.5 | 0 | 0 | 0 | 113.9 | A117 E218 C219 R225 C278 | A117-Y221 HydrophobicContact CB-CD2 4.15Å; A117-Y221 HydrophobicContact CB-CE2 4.2Å; E218-Y221 HydrophobicContact CG-CE2 4.17Å; C219-Y221 HydrophobicContact CB-CD2 4.28Å; C219-Y221 HydrophobicContact CB-CE1 4.42Å; C219-Y221 HydrophobicContact CB-CE2 3.99Å; C219-Y221 WeakPolarHBondContact O-CD2 3.27Å; C219-Y221 PolarHBondContact O-N 3.17Å; Y221-R225 VanDerWaalsContact O-CB 3.27Å; Y221-R225 WeakPolarHBondContact O-CB 3.47Å; Y221-R225 PolarHBondContact O-N 3.23Å; Y221-C278 HydrophobicContact CD1-CB 4.37Å; Y221-C278 HydrophobicContact CE1-CB 4.27Å |
| 222 | H | 91.1 | Very high | 94.8 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 176.5 | -179.8 | -85.6 | 0 | 0 | 0 | 111.8 | L122 R220 R225 S226 | L122-H222 HydrophobicContact CD1-CB 4.27Å; R220-H222 PolarHBondContact O-N 3.49Å; R220-H222 VanDerWaalsContact O-N 3.13Å; H222-R225 PolarHBondContact O-N 2.8Å; H222-S226 PolarHBondContact O-N 2.77Å; H222-S226 VanDerWaalsContact O-N 3.09Å; H222-S226 PolarHBondContact O-OG 2.98Å |
| 223 | D | 94.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.6 | -36.8 | -175.8 | -55.5 | -32.6 | 0 | 0 | 0 | 111.3 | R220 R225 S226 F227 | R220-D223 HydrophobicContact CB-CB 4.15Å; R220-D223 IonicContact CZ-OD2 3.56Å; R220-D223 IonicContact NE-OD2 2.81Å; R220-D223 PolarHBondContact NE-OD2 3.35Å; R220-D223 IonicContact NH2-OD2 3.85Å; R220-D223 PolarHBondContact NH2-OD2 3.47Å; R220-D223 PolarHBondContact O-N 2.88Å; D223-R225 VanDerWaalsContact C-N 3.33Å; D223-R225 PolarHBondContact O-N 3.26Å; D223-S226 PolarHBondContact O-N 3.16Å; D223-F227 WeakPolarHBondContact O-CB 3.07Å; D223-F227 PolarHBondContact O-N 2.82Å |
| 224 | A | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L119 R220 F227 L228 R276 C278 | L119-A224 HydrophobicContact CD2-CB 3.77Å; R220-A224 WeakPolarHBondContact O-CB 3.25Å; R220-A224 PolarHBondContact O-N 2.89Å; A224-F227 PolarHBondContact O-N 3Å; A224-L228 WeakPolarHBondContact O-CB 3.43Å; A224-L228 VanDerWaalsContact O-CG 3.3Å; A224-L228 WeakPolarHBondContact O-CG 3.48Å; A224-L228 PolarHBondContact O-N 3.25Å; A224-R276 WeakPolarHBondContact CA-O 3.42Å; A224-C278 HydrophobicContact CB-CB 4.19Å; A224-C278 WeakPolarHBondContact CB-SG 3.44Å |
| 225 | R | 93.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.3 | -170.9 | -179.7 | 71.7 | 169.4 | 1.9 | 111.5 | L119 L122 Y221 H222 D223 F227 L228 Q229 | L119-R225 HydrophobicContact CD2-CB 4.35Å; L119-R225 VanDerWaalsContact O-CD 3.24Å; L119-R225 WeakPolarHBondContact O-CD 3.35Å; L122-R225 VanDerWaalsContact CD1-NH1 3.34Å; Y221-R225 VanDerWaalsContact O-CB 3.27Å; Y221-R225 WeakPolarHBondContact O-CB 3.47Å; Y221-R225 PolarHBondContact O-N 3.23Å; H222-R225 PolarHBondContact O-N 2.8Å; D223-R225 VanDerWaalsContact C-N 3.33Å; D223-R225 PolarHBondContact O-N 3.26Å; R225-F227 VanDerWaalsContact C-N 3.33Å; R225-F227 PolarHBondContact O-N 3.5Å; R225-L228 PolarHBondContact O-N 3.39Å; R225-Q229 WeakPolarHBondContact O-CG 3.28Å; R225-Q229 PolarHBondContact O-N 2.96Å |
| 226 | S | 94.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.4 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | H222 D223 Q229 | H222-S226 PolarHBondContact O-N 2.77Å; H222-S226 VanDerWaalsContact O-N 3.09Å; H222-S226 PolarHBondContact O-OG 2.98Å; D223-S226 PolarHBondContact O-N 3.16Å; S226-Q229 PolarHBondContact O-N 2.91Å |
| 227 | F | 96.1 | Very high | 94 | Very high | 21 Ų | 21 | 68.5 Ų | 68.5 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 174.4 | 169.2 | -93.9 | 0 | 0 | 0 | 111.6 | D223 A224 R225 Q229 L230 Y231 R276 Q277 S396 P398 | D223-F227 WeakPolarHBondContact O-CB 3.07Å; D223-F227 PolarHBondContact O-N 2.82Å; A224-F227 PolarHBondContact O-N 3Å; R225-F227 VanDerWaalsContact C-N 3.33Å; R225-F227 PolarHBondContact O-N 3.5Å; F227-Q229 VanDerWaalsContact C-N 3.27Å; F227-Q229 PolarHBondContact O-N 3.09Å; F227-L230 PolarHBondContact O-N 2.92Å; F227-L230 VanDerWaalsContact O-N 3.08Å; F227-Y231 AromaticContact CD2-CD2 3.6Å; F227-Y231 HydrophobicContact CD2-CD2 3.6Å; F227-Y231 HydrophobicContact CD2-CE2 4.2Å; F227-Y231 AromaticContact CE2-CD2 3.39Å; F227-Y231 HydrophobicContact CE2-CD2 3.39Å; F227-Y231 HydrophobicContact CE2-CE2 4.05Å; F227-Y231 HydrophobicContact CE2-CG 4.11Å; F227-Y231 HydrophobicContact CG-CD2 4.39Å; F227-Y231 HydrophobicContact CZ-CD2 4.04Å; F227-Y231 HydrophobicContact CZ-CG 4.34Å; F227-Y231 PolarHBondContact O-N 3.28Å; F227-R276 HydrophobicContact CD1-CG 4.19Å; F227-R276 HydrophobicContact CD2-CG 3.75Å; F227-R276 HydrophobicContact CE1-CG 4.22Å; F227-R276 VanDerWaalsContact CE2-CD 3.43Å; F227-R276 HydrophobicContact CE2-CG 3.78Å; F227-R276 HydrophobicContact CG-CG 3.97Å; F227-R276 HydrophobicContact CZ-CG 4.01Å; F227-R276 VanDerWaalsContact CZ-NE 3.35Å; F227-Q277 HydrophobicContact CD1-CB 3.81Å; F227-Q277 HydrophobicContact CE1-CB 3.82Å; F227-Q277 HydrophobicContact CE1-CG 4.5Å; F227-S396 VanDerWaalsContact CE2-O 3.22Å; F227-S396 WeakPolarHBondContact CE2-O 3.31Å; F227-P398 HydrophobicContact CE2-CG 3.86Å; F227-P398 HydrophobicContact CZ-CG 3.8Å |
| 228 | L | 95.2 | Very high | 93.9 | Very high | 30 Ų | 30 | 70.3 Ų | 70.3 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.1 | -20.5 | -178.1 | -68.8 | 174.6 | 0 | 0 | 0 | 113.7 | L119 A224 R225 L230 Y231 P232 D233 Q277 | L119-L228 HydrophobicContact CD1-CD1 3.49Å; L119-L228 VanDerWaalsContact CD1-CD1 3.49Å; L119-L228 HydrophobicContact CD2-CD1 3.97Å; L119-L228 HydrophobicContact CG-CD1 4.35Å; A224-L228 WeakPolarHBondContact O-CB 3.43Å; A224-L228 VanDerWaalsContact O-CG 3.3Å; A224-L228 WeakPolarHBondContact O-CG 3.48Å; A224-L228 PolarHBondContact O-N 3.25Å; R225-L228 PolarHBondContact O-N 3.39Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-Y231 CarbonylContact O-C 3.43Å; L228-P232 VanDerWaalsContact O-CA 3.3Å; L228-P232 WeakPolarHBondContact O-CA 3.34Å; L228-D233 HydrophobicContact CD2-CB 4.01Å; L228-Q277 HydrophobicContact CD2-CB 4.29Å |
| 229 | Q | 94.6 | Very high | 94 | Very high | 139 Ų | 139 | 67.9 Ų | 67.9 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.9 | -34 | 169.4 | -76 | 173.7 | -21.2 | 0 | 0 | 112.4 | R225 S226 F227 | R225-Q229 WeakPolarHBondContact O-CG 3.28Å; R225-Q229 PolarHBondContact O-N 2.96Å; S226-Q229 PolarHBondContact O-N 2.91Å; F227-Q229 VanDerWaalsContact C-N 3.27Å; F227-Q229 PolarHBondContact O-N 3.09Å |
| 230 | L | 96.2 | Very high | 94.1 | Very high | 132 Ų | 132 | 71.1 Ų | 71.1 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -87.6 | -35 | 177.9 | -64.8 | 175.5 | 0 | 0 | 0 | 112.3 | F227 L228 | F227-L230 PolarHBondContact O-N 2.92Å; F227-L230 VanDerWaalsContact O-N 3.08Å; L228-L230 VanDerWaalsContact C-N 3.34Å |
| 231 | Y | 95.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 70.9 Ų | 70.9 | 37% | 0.373 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -126.8 | 81.6 | -178.3 | -53.6 | -70.9 | 0 | 0 | 0 | 109.3 | F227 L228 P398 | F227-Y231 AromaticContact CD2-CD2 3.6Å; F227-Y231 HydrophobicContact CD2-CD2 3.6Å; F227-Y231 HydrophobicContact CD2-CE2 4.2Å; F227-Y231 AromaticContact CE2-CD2 3.39Å; F227-Y231 HydrophobicContact CE2-CD2 3.39Å; F227-Y231 HydrophobicContact CE2-CE2 4.05Å; F227-Y231 HydrophobicContact CE2-CG 4.11Å; F227-Y231 HydrophobicContact CG-CD2 4.39Å; F227-Y231 HydrophobicContact CZ-CD2 4.04Å; F227-Y231 HydrophobicContact CZ-CG 4.34Å; F227-Y231 PolarHBondContact O-N 3.28Å; L228-Y231 CarbonylContact O-C 3.43Å; Y231-P398 HydrophobicContact CD1-CG 3.65Å; Y231-P398 HydrophobicContact CD2-CG 3.89Å; Y231-P398 HydrophobicContact CE1-CG 4.04Å; Y231-P398 HydrophobicContact CE2-CG 4.25Å; Y231-P398 HydrophobicContact CG-CG 3.55Å |
| 232 | P | 93 | Very high | 94.4 | Very high | 107 Ų | 107 | 69.5 Ų | 69.5 | 70% | 0.695 | 39% | 0.393 | S | S | * | . | trans | -53 | 141.4 | -176.8 | -28.5 | 36 | 0 | 0 | 0 | 112.8 | L228 | L228-P232 VanDerWaalsContact O-CA 3.3Å; L228-P232 WeakPolarHBondContact O-CA 3.34Å | ||
| 233 | D | 89.5 | Confident | 94.5 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | trans | -64.9 | 148.2 | 179.3 | -161.6 | 20 | 0 | 0 | 0 | 111.2 | L228 S235 R243 | L228-D233 HydrophobicContact CD2-CB 4.01Å; D233-S235 PolarHBondContact O-N 3.34Å; D233-R243 IonicContact OD1-CZ 3.27Å; D233-R243 IonicContact OD1-NH2 2.85Å; D233-R243 PolarHBondContact OD1-NH2 3.41Å; D233-R243 IonicContact OD2-CZ 3.2Å; D233-R243 VanDerWaalsContact OD2-CZ 3.27Å; D233-R243 IonicContact OD2-NE 3.73Å; D233-R243 IonicContact OD2-NH2 2.9Å; D233-R243 PolarHBondContact OD2-NH2 2.68Å | ||
| 234 | D | 91.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 68.5 Ų | 68.5 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | trans | -77.7 | 104.4 | 178.8 | -176.1 | -8.6 | 0 | 0 | 0 | 109.9 | S236 A239 R243 S282 | D234-S236 VanDerWaalsContact C-N 3.31Å; D234-S236 WeakPolarHBondContact OD1-CB 3.2Å; D234-S236 PolarHBondContact OD1-N 2.58Å; D234-S236 PolarHBondContact OD1-OG 3Å; D234-S236 PolarHBondContact OD2-OG 3.42Å; D234-A239 HydrophobicContact CB-CB 3.83Å; D234-A239 VanDerWaalsContact CG-CB 3.47Å; D234-A239 WeakPolarHBondContact O-CB 3.45Å; D234-R243 VanDerWaalsContact O-CZ 3.31Å; D234-R243 PolarHBondContact O-NH1 3.28Å; D234-R243 PolarHBondContact O-NH2 3.02Å; D234-S282 WeakPolarHBondContact CB-OG 3.46Å | ||
| 235 | S | 93.4 | Very high | 94.7 | Very high | 108 Ų | 108 | 70.4 Ų | 70.4 | 76% | 0.755 | 39% | 0.389 | S | S | * | . | trans | -89.2 | 8.7 | 179.6 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | D233 | D233-S235 PolarHBondContact O-N 3.34Š| ||
| 236 | S | 96.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -61 | 152.5 | 176.5 | 68 | 0 | 0 | 0 | 0 | 112 | D234 A238 A239 V240 | D234-S236 VanDerWaalsContact C-N 3.31Å; D234-S236 WeakPolarHBondContact OD1-CB 3.2Å; D234-S236 PolarHBondContact OD1-N 2.58Å; D234-S236 PolarHBondContact OD1-OG 3Å; D234-S236 PolarHBondContact OD2-OG 3.42Å; S236-A238 PolarHBondContact O-N 3.46Å; S236-A239 PolarHBondContact O-N 3.26Å; S236-A239 WeakPolarHBondContact OG-CB 3.44Å; S236-A239 PolarHBondContact OG-N 2.89Å; S236-V240 WeakPolarHBondContact O-CG2 3.39Å; S236-V240 PolarHBondContact O-N 3.49Å |
| 237 | A | 96.3 | Very high | 94.9 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -55.8 | -36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V240 E241 | A237-V240 PolarHBondContact O-N 2.66Å; A237-E241 VanDerWaalsContact O-CB 3.31Å; A237-E241 WeakPolarHBondContact O-CB 3.45Å; A237-E241 PolarHBondContact O-N 3.25Å |
| 238 | A | 94.7 | Very high | 94.9 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S236 E241 F242 | S236-A238 PolarHBondContact O-N 3.46Å; A238-E241 PolarHBondContact O-N 2.9Å; A238-F242 WeakPolarHBondContact O-CB 3.47Å; A238-F242 PolarHBondContact O-N 3.49Å |
| 239 | A | 94.7 | Very high | 95 | Very high | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D234 S236 F242 R243 | D234-A239 HydrophobicContact CB-CB 3.83Å; D234-A239 VanDerWaalsContact CG-CB 3.47Å; D234-A239 WeakPolarHBondContact O-CB 3.45Å; S236-A239 PolarHBondContact O-N 3.26Å; S236-A239 WeakPolarHBondContact OG-CB 3.44Å; S236-A239 PolarHBondContact OG-N 2.89Å; A239-F242 PolarHBondContact O-N 3.24Å; A239-R243 WeakPolarHBondContact O-CG 3.42Å; A239-R243 PolarHBondContact O-N 3.2Å |
| 240 | V | 94.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | S236 A237 R243 R244 | S236-V240 WeakPolarHBondContact O-CG2 3.39Å; S236-V240 PolarHBondContact O-N 3.49Å; A237-V240 PolarHBondContact O-N 2.66Å; V240-R243 PolarHBondContact O-N 2.9Å; V240-R244 PolarHBondContact O-N 3.37Å |
| 241 | E | 95.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 178.4 | -178.3 | 55.7 | -162.5 | 0 | 0 | 112 | A237 A238 R243 R244 K245 | A237-E241 VanDerWaalsContact O-CB 3.31Å; A237-E241 WeakPolarHBondContact O-CB 3.45Å; A237-E241 PolarHBondContact O-N 3.25Å; A238-E241 PolarHBondContact O-N 2.9Å; E241-R243 PolarHBondContact O-N 2.96Å; E241-R244 WeakPolarHBondContact O-CB 3.31Å; E241-R244 PolarHBondContact O-N 2.67Å; E241-R244 IonicContact OE1-CZ 2.66Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 3.57Å; E241-R244 PolarHBondContact OE1-NE 3.11Å; E241-R244 VanDerWaalsContact OE1-NE 3.1Å; E241-R244 IonicContact OE1-NH2 3.83Å; E241-R244 PolarHBondContact OE1-NH2 2.58Å; E241-R244 IonicContact OE2-CZ 3.72Å; E241-R244 IonicContact OE2-NE 3.24Å; E241-R244 PolarHBondContact OE2-NE 3.24Å; E241-K245 HydrophobicContact CG-CD 4.25Å; E241-K245 WeakPolarHBondContact O-CG 3.18Å; E241-K245 PolarHBondContact O-N 2.96Å; E241-K245 WeakPolarHBondContact OE1-CE 3.19Å |
| 242 | F | 95.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 173.1 | 174.4 | -105.9 | 0 | 0 | 0 | 112 | A238 A239 R244 K245 A246 V280 R285 V331 | A238-F242 WeakPolarHBondContact O-CB 3.47Å; A238-F242 PolarHBondContact O-N 3.49Å; A239-F242 PolarHBondContact O-N 3.24Å; F242-R244 VanDerWaalsContact C-N 3.3Å; F242-R244 PolarHBondContact O-N 3.1Å; F242-K245 PolarHBondContact O-N 2.92Å; F242-A246 HydrophobicContact CZ-CB 4.47Å; F242-A246 VanDerWaalsContact O-CB 3.27Å; F242-A246 WeakPolarHBondContact O-CB 3.09Å; F242-A246 PolarHBondContact O-N 3.06Å; F242-V280 HydrophobicContact CD1-CG2 4.17Å; F242-V280 HydrophobicContact CE1-CB 4.24Å; F242-V280 HydrophobicContact CE1-CG2 3.83Å; F242-R285 VanDerWaalsContact CE2-C 3.41Å; F242-R285 VanDerWaalsContact CE2-CA 3.49Å; F242-V331 HydrophobicContact CD2-CG1 4.49Å; F242-V331 HydrophobicContact CD2-CG2 4.1Å; F242-V331 HydrophobicContact CE2-CG1 3.91Å; F242-V331 HydrophobicContact CE2-CG2 4.32Å |
| 243 | R | 95.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 18% | 0.177 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 176.4 | -69.2 | 178.1 | -164.8 | 100.7 | 6.6 | 111.7 | D233 D234 A239 V240 E241 K247 V280 | D233-R243 IonicContact OD1-CZ 3.27Å; D233-R243 IonicContact OD1-NH2 2.85Å; D233-R243 PolarHBondContact OD1-NH2 3.41Å; D233-R243 IonicContact OD2-CZ 3.2Å; D233-R243 VanDerWaalsContact OD2-CZ 3.27Å; D233-R243 IonicContact OD2-NE 3.73Å; D233-R243 IonicContact OD2-NH2 2.9Å; D233-R243 PolarHBondContact OD2-NH2 2.68Å; D234-R243 VanDerWaalsContact O-CZ 3.31Å; D234-R243 PolarHBondContact O-NH1 3.28Å; D234-R243 PolarHBondContact O-NH2 3.02Å; A239-R243 WeakPolarHBondContact O-CG 3.42Å; A239-R243 PolarHBondContact O-N 3.2Å; V240-R243 PolarHBondContact O-N 2.9Å; E241-R243 PolarHBondContact O-N 2.96Å; R243-K247 WeakPolarHBondContact O-CB 3.27Å; R243-K247 PolarHBondContact O-N 3.35Å; R243-V280 HydrophobicContact CB-CG2 4.45Å; R243-V280 HydrophobicContact CG-CG2 3.79Å |
| 244 | R | 96 | Very high | 95.8 | Very high | 100 Ų | 100 | 49 Ų | 49 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -51.1 | 175.8 | -171.3 | -160 | 69.2 | 73.5 | 0.6 | 110.9 | V240 E241 F242 K247 V248 E329 | V240-R244 PolarHBondContact O-N 3.37Å; E241-R244 WeakPolarHBondContact O-CB 3.31Å; E241-R244 PolarHBondContact O-N 2.67Å; E241-R244 IonicContact OE1-CZ 2.66Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 3.57Å; E241-R244 PolarHBondContact OE1-NE 3.11Å; E241-R244 VanDerWaalsContact OE1-NE 3.1Å; E241-R244 IonicContact OE1-NH2 3.83Å; E241-R244 PolarHBondContact OE1-NH2 2.58Å; E241-R244 IonicContact OE2-CZ 3.72Å; E241-R244 IonicContact OE2-NE 3.24Å; E241-R244 PolarHBondContact OE2-NE 3.24Å; F242-R244 VanDerWaalsContact C-N 3.3Å; F242-R244 PolarHBondContact O-N 3.1Å; R244-K247 WeakPolarHBondContact O-CB 3.5Å; R244-K247 PolarHBondContact O-N 3.38Å; R244-V248 WeakPolarHBondContact O-CG2 3.48Å; R244-V248 PolarHBondContact O-N 3.25Å; R244-V248 VanDerWaalsContact O-N 3.15Å; R244-E329 IonicContact CZ-OE2 3.97Å; R244-E329 IonicContact NH1-OE2 3.1Å; R244-E329 PolarHBondContact NH1-OE2 3.33Å; R244-E329 IonicContact NH2-OE2 2.71Å; R244-E329 PolarHBondContact NH2-OE2 3.04Å |
| 245 | K | 96.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 179.5 | -70.8 | 179.4 | 170.7 | -159.3 | 0 | 112 | E241 F242 K247 V248 L249 E329 D330 V331 | E241-K245 HydrophobicContact CG-CD 4.25Å; E241-K245 WeakPolarHBondContact O-CG 3.18Å; E241-K245 PolarHBondContact O-N 2.96Å; E241-K245 WeakPolarHBondContact OE1-CE 3.19Å; F242-K245 PolarHBondContact O-N 2.92Å; K245-K247 VanDerWaalsContact C-N 3.31Å; K245-K247 PolarHBondContact O-N 3.48Å; K245-V248 PolarHBondContact O-N 2.87Å; K245-L249 VanDerWaalsContact O-CB 3.3Å; K245-L249 WeakPolarHBondContact O-CB 3.47Å; K245-L249 PolarHBondContact O-N 2.8Å; K245-E329 VanDerWaalsContact CD-O 3.3Å; K245-E329 WeakPolarHBondContact CD-O 3.47Å; K245-E329 VanDerWaalsContact CE-O 3.27Å; K245-E329 WeakPolarHBondContact CE-O 3.5Å; K245-E329 PolarHBondContact NZ-O 3.37Å; K245-D330 IonicContact NZ-OD2 2.75Å; K245-D330 PolarHBondContact NZ-OD2 3.25Å; K245-V331 HydrophobicContact CB-CG2 3.61Å; K245-V331 HydrophobicContact CD-CG2 3.88Å; K245-V331 HydrophobicContact CG-CG2 4.39Å |
| 246 | A | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F242 L249 L250 V280 V287 L373 | F242-A246 HydrophobicContact CZ-CB 4.47Å; F242-A246 VanDerWaalsContact O-CB 3.27Å; F242-A246 WeakPolarHBondContact O-CB 3.09Å; F242-A246 PolarHBondContact O-N 3.06Å; A246-L249 PolarHBondContact O-N 3.18Å; A246-L250 VanDerWaalsContact O-CB 3.23Å; A246-L250 WeakPolarHBondContact O-CB 3.35Å; A246-L250 PolarHBondContact O-N 3.37Å; A246-V280 HydrophobicContact CB-CG2 4.42Å; A246-V287 HydrophobicContact CB-CG2 3.76Å; A246-L373 HydrophobicContact CB-CD1 4.2Å |
| 247 | K | 96.1 | Very high | 96.4 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 24% | 0.243 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 174.2 | 178.9 | 175.7 | 179.8 | -178.9 | 0 | 112.4 | R243 R244 K245 R251 L373 E374 | R243-K247 WeakPolarHBondContact O-CB 3.27Å; R243-K247 PolarHBondContact O-N 3.35Å; R244-K247 WeakPolarHBondContact O-CB 3.5Å; R244-K247 PolarHBondContact O-N 3.38Å; K245-K247 VanDerWaalsContact C-N 3.31Å; K245-K247 PolarHBondContact O-N 3.48Å; K247-R251 WeakPolarHBondContact O-CB 3.11Å; K247-R251 PolarHBondContact O-N 2.82Å; K247-L373 HydrophobicContact CB-CB 3.96Å; K247-L373 HydrophobicContact CB-CD1 3.97Å; K247-L373 HydrophobicContact CD-CB 4.3Å; K247-L373 WeakPolarHBondContact CD-O 3.3Å; K247-L373 VanDerWaalsContact CE-O 3.25Å; K247-L373 WeakPolarHBondContact CE-O 3.46Å; K247-L373 HydrophobicContact CG-CB 3.99Å; K247-L373 WeakPolarHBondContact CG-O 3.31Å; K247-E374 VanDerWaalsContact CE-OE2 3.3Å; K247-E374 WeakPolarHBondContact CE-OE2 3.33Å; K247-E374 IonicContact NZ-OE2 3.31Å; K247-E374 PolarHBondContact NZ-OE2 3.36Å |
| 248 | V | 96.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 41 Ų | 41 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 178 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | R244 K245 R251 L252 | R244-V248 WeakPolarHBondContact O-CG2 3.48Å; R244-V248 PolarHBondContact O-N 3.25Å; R244-V248 VanDerWaalsContact O-N 3.15Å; K245-V248 PolarHBondContact O-N 2.87Å; V248-R251 PolarHBondContact O-N 3.26Å; V248-L252 WeakPolarHBondContact O-CB 3.26Å; V248-L252 PolarHBondContact O-N 3.37Å |
| 249 | L | 96.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -49 | 178.8 | -173 | 64.9 | 0 | 0 | 0 | 112.2 | K245 A246 R251 L252 A253 V287 M309 V331 L333 | K245-L249 VanDerWaalsContact O-CB 3.3Å; K245-L249 WeakPolarHBondContact O-CB 3.47Å; K245-L249 PolarHBondContact O-N 2.8Å; A246-L249 PolarHBondContact O-N 3.18Å; L249-R251 VanDerWaalsContact C-N 3.34Å; L249-R251 PolarHBondContact O-N 2.85Å; L249-L252 PolarHBondContact O-N 2.79Å; L249-A253 WeakPolarHBondContact O-CB 3.38Å; L249-A253 PolarHBondContact O-N 3.21Å; L249-V287 HydrophobicContact CD2-CB 3.94Å; L249-V287 HydrophobicContact CD2-CG2 3.87Å; L249-M309 HydrophobicContact CD1-CE 3.21Å; L249-M309 HydrophobicContact CD1-SD 3.78Å; L249-M309 HydrophobicContact CG-CE 4.46Å; L249-V331 HydrophobicContact CD2-CB 4.02Å; L249-V331 HydrophobicContact CD2-CG1 3.58Å; L249-L333 HydrophobicContact CD1-CB 4.12Å; L249-L333 HydrophobicContact CD2-CB 3.99Å; L249-L333 HydrophobicContact CG-CB 4.16Å |
| 250 | L | 97.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 179.8 | -174 | 61.5 | 0 | 0 | 0 | 111.9 | A246 A253 A254 F264 I266 V287 I289 L372 V375 V377 | A246-L250 VanDerWaalsContact O-CB 3.23Å; A246-L250 WeakPolarHBondContact O-CB 3.35Å; A246-L250 PolarHBondContact O-N 3.37Å; L250-A253 PolarHBondContact O-N 2.97Å; L250-A254 VanDerWaalsContact O-CB 3.31Å; L250-A254 WeakPolarHBondContact O-CB 3.26Å; L250-A254 PolarHBondContact O-N 3.24Å; L250-F264 HydrophobicContact CD1-CE2 4.34Å; L250-I266 HydrophobicContact CD1-CG2 4.05Å; L250-V287 HydrophobicContact CD1-CG1 4.43Å; L250-I289 HydrophobicContact CD1-CG2 4.4Å; L250-L372 HydrophobicContact CD2-CB 4.21Å; L250-L372 HydrophobicContact CD2-CD2 4Å; L250-L372 HydrophobicContact CD2-CG 4.13Å; L250-V375 HydrophobicContact CD2-CB 4.16Å; L250-V375 HydrophobicContact CD2-CG2 4.44Å; L250-V375 HydrophobicContact CG-CB 4.25Å; L250-V375 HydrophobicContact CG-CG1 4.18Å; L250-V375 HydrophobicContact CG-CG2 4.44Å; L250-V377 HydrophobicContact CD1-CG1 4Å; L250-V377 HydrophobicContact CD2-CG1 3.92Å; L250-V377 HydrophobicContact CG-CG1 4.04Å |
| 251 | R | 96.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 51 Ų | 51 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.6 | -177.4 | -177.9 | -67.2 | 153 | -6.5 | 111.4 | K247 V248 L249 A254 Q255 V375 | K247-R251 WeakPolarHBondContact O-CB 3.11Å; K247-R251 PolarHBondContact O-N 2.82Å; V248-R251 PolarHBondContact O-N 3.26Å; L249-R251 VanDerWaalsContact C-N 3.34Å; L249-R251 PolarHBondContact O-N 2.85Å; R251-A254 PolarHBondContact O-N 3.18Å; R251-Q255 VanDerWaalsContact O-CG 3.31Å; R251-Q255 WeakPolarHBondContact O-CG 3.11Å; R251-Q255 PolarHBondContact O-N 2.86Å; R251-V375 HydrophobicContact CB-CG2 4.02Å |
| 252 | L | 97.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 47.9 Ų | 47.9 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.4 | -170.8 | 64.4 | 0 | 0 | 0 | 111.2 | V248 L249 Q255 T256 A307 M309 | V248-L252 WeakPolarHBondContact O-CB 3.26Å; V248-L252 PolarHBondContact O-N 3.37Å; L249-L252 PolarHBondContact O-N 2.79Å; L252-Q255 PolarHBondContact O-N 2.9Å; L252-T256 VanDerWaalsContact O-CB 3.3Å; L252-T256 WeakPolarHBondContact O-CB 3.32Å; L252-T256 PolarHBondContact O-N 3.46Å; L252-T256 PolarHBondContact O-OG1 3.26Å; L252-A307 HydrophobicContact CD1-CB 3.95Å; L252-A307 HydrophobicContact CD2-CB 4.5Å; L252-A307 HydrophobicContact CG-CB 4.22Å; L252-M309 HydrophobicContact CD2-CG 3.58Å; L252-M309 HydrophobicContact CD2-SD 3.55Å; L252-M309 VanDerWaalsContact CD2-SD 3.55Å; L252-M309 HydrophobicContact CG-SD 4.16Å |
| 253 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L249 L250 Q255 T256 L257 F304 L333 | L249-A253 WeakPolarHBondContact O-CB 3.38Å; L249-A253 PolarHBondContact O-N 3.21Å; L250-A253 PolarHBondContact O-N 2.97Å; A253-Q255 VanDerWaalsContact C-N 3.35Å; A253-Q255 PolarHBondContact O-N 3.03Å; A253-T256 PolarHBondContact O-N 3.25Å; A253-L257 WeakPolarHBondContact O-CB 3.34Å; A253-L257 WeakPolarHBondContact O-CG 3.44Å; A253-L257 PolarHBondContact O-N 3.06Å; A253-F304 HydrophobicContact CB-CE1 3.98Å; A253-F304 HydrophobicContact CB-CZ 4.05Å; A253-L333 HydrophobicContact CB-CD2 3.77Å |
| 254 | A | 97.5 | Very high | 96.9 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L250 R251 G258 F264 V375 | L250-A254 VanDerWaalsContact O-CB 3.31Å; L250-A254 WeakPolarHBondContact O-CB 3.26Å; L250-A254 PolarHBondContact O-N 3.24Å; R251-A254 PolarHBondContact O-N 3.18Å; A254-G258 WeakPolarHBondContact O-CA 3.46Å; A254-G258 PolarHBondContact O-N 3.29Å; A254-F264 HydrophobicContact CB-CE1 3.98Å; A254-F264 HydrophobicContact CB-CZ 3.68Å; A254-V375 HydrophobicContact CB-CG1 3.91Å |
| 255 | Q | 96.8 | Very high | 97 | Very high | 100 Ų | 100 | 42 Ų | 42 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.4 | -42.8 | 176.9 | -71.6 | 175.1 | 6.6 | 0 | 0 | 112.1 | R251 L252 A253 G258 R259 | R251-Q255 VanDerWaalsContact O-CG 3.31Å; R251-Q255 WeakPolarHBondContact O-CG 3.11Å; R251-Q255 PolarHBondContact O-N 2.86Å; L252-Q255 PolarHBondContact O-N 2.9Å; A253-Q255 VanDerWaalsContact C-N 3.35Å; A253-Q255 PolarHBondContact O-N 3.03Å; Q255-G258 PolarHBondContact O-N 3.21Å; Q255-R259 WeakPolarHBondContact O-CG 3.45Å; Q255-R259 PolarHBondContact O-N 2.65Å; Q255-R259 VanDerWaalsContact O-N 3.1Å |
| 256 | T | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -50 | -178.1 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | L252 A253 G258 R259 A303 F304 A307 | L252-T256 VanDerWaalsContact O-CB 3.3Å; L252-T256 WeakPolarHBondContact O-CB 3.32Å; L252-T256 PolarHBondContact O-N 3.46Å; L252-T256 PolarHBondContact O-OG1 3.26Å; A253-T256 PolarHBondContact O-N 3.25Å; T256-G258 VanDerWaalsContact C-N 3.34Å; T256-R259 PolarHBondContact O-N 2.03Å; T256-A303 HydrophobicContact CG2-CB 3.69Å; T256-F304 HydrophobicContact CG2-CD1 4.22Å; T256-F304 HydrophobicContact CG2-CD2 3.99Å; T256-F304 HydrophobicContact CG2-CE1 4.39Å; T256-F304 HydrophobicContact CG2-CE2 4.15Å; T256-F304 HydrophobicContact CG2-CG 4.03Å; T256-F304 HydrophobicContact CG2-CZ 4.35Å; T256-A307 WeakPolarHBondContact OG1-CB 3.4Å |
| 257 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.5 | -34.6 | 177.8 | -66.4 | 170.6 | 0 | 0 | 0 | 111.9 | A253 R259 L260 D261 I262 F264 I289 I291 F304 | A253-L257 WeakPolarHBondContact O-CB 3.34Å; A253-L257 WeakPolarHBondContact O-CG 3.44Å; A253-L257 PolarHBondContact O-N 3.06Å; L257-R259 VanDerWaalsContact C-N 3.33Å; L257-R259 PolarHBondContact O-N 3.03Å; L257-L260 CarbonylContact O-C 3.54Å; L257-L260 PolarHBondContact O-N 2.65Å; L257-L260 VanDerWaalsContact O-N 3.08Å; L257-D261 PolarHBondContact O-N 2.97Å; L257-I262 HydrophobicContact CB-CB 4.42Å; L257-I262 HydrophobicContact CD2-CB 4.21Å; L257-I262 HydrophobicContact CD2-CD1 4.26Å; L257-I262 HydrophobicContact CD2-CG2 4.17Å; L257-I262 PolarHBondContact O-N 2.83Å; L257-F264 HydrophobicContact CB-CD1 4.11Å; L257-F264 HydrophobicContact CD1-CB 3.8Å; L257-F264 HydrophobicContact CD1-CD1 3.71Å; L257-F264 HydrophobicContact CD1-CD2 4.45Å; L257-F264 HydrophobicContact CD1-CE1 4.47Å; L257-F264 HydrophobicContact CD1-CG 3.71Å; L257-I289 HydrophobicContact CD1-CD1 3.64Å; L257-I291 HydrophobicContact CD1-CD1 4.07Å; L257-I291 HydrophobicContact CD2-CD1 3.84Å; L257-F304 HydrophobicContact CD1-CZ 4.29Å; L257-F304 HydrophobicContact CD2-CE2 3.89Å; L257-F304 HydrophobicContact CD2-CZ 4.38Å; L257-F304 HydrophobicContact CG-CE2 4.06Å; L257-F304 HydrophobicContact CG-CZ 4.05Å |
| 258 | G | 95.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 42% | 0.423 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.1 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | A254 Q255 T256 L260 D261 | A254-G258 WeakPolarHBondContact O-CA 3.46Å; A254-G258 PolarHBondContact O-N 3.29Å; Q255-G258 PolarHBondContact O-N 3.21Å; T256-G258 VanDerWaalsContact C-N 3.34Å; G258-L260 PolarHBondContact O-N 2.96Å; G258-D261 PolarHBondContact O-N 2.92Å |
| 259 | R | 96 | Very high | 97.3 | Very high | 197 Ų | 197 | 36.4 Ų | 36.4 | 74% | 0.743 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -67.7 | -21.8 | 174 | -72.3 | 173.8 | -172.4 | 175.2 | 4.2 | 113.5 | Q255 T256 L257 | Q255-R259 WeakPolarHBondContact O-CG 3.45Å; Q255-R259 PolarHBondContact O-N 2.65Å; Q255-R259 VanDerWaalsContact O-N 3.1Å; T256-R259 PolarHBondContact O-N 2.03Å; L257-R259 VanDerWaalsContact C-N 3.33Å; L257-R259 PolarHBondContact O-N 3.03Å |
| 260 | L | 97.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.2 | 177.7 | -59.8 | -179.7 | 0 | 0 | 0 | 112.4 | L257 G258 I262 Q299 I300 A303 | L257-L260 CarbonylContact O-C 3.54Å; L257-L260 PolarHBondContact O-N 2.65Å; L257-L260 VanDerWaalsContact O-N 3.08Å; G258-L260 PolarHBondContact O-N 2.96Å; L260-I262 HydrophobicContact CB-CD1 3.62Å; L260-I262 HydrophobicContact CB-CG1 3.73Å; L260-I262 HydrophobicContact CD1-CD1 3.8Å; L260-I262 HydrophobicContact CG-CD1 4.38Å; L260-I262 PolarHBondContact O-N 2.93Å; L260-Q299 HydrophobicContact CD2-CB 4.32Å; L260-I300 HydrophobicContact CD1-CG1 4.21Å; L260-A303 HydrophobicContact CD1-CB 3.86Å; L260-A303 HydrophobicContact CG-CB 4.43Å |
| 261 | D | 94.6 | Very high | 97.4 | Very high | 123 Ų | 123 | 36.1 Ų | 36.1 | 66% | 0.658 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 37.5 | -171.9 | -65.6 | -54 | 0 | 0 | 0 | 112.8 | L257 G258 P263 | L257-D261 PolarHBondContact O-N 2.97Å; G258-D261 PolarHBondContact O-N 2.92Å; D261-P263 WeakPolarHBondContact O-CD 3.27Å |
| 262 | I | 97.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | trans | -97.1 | 116.1 | -179.7 | -62.2 | 173.5 | 0 | 0 | 0 | 110 | L257 L260 I291 D295 R297 I300 | L257-I262 HydrophobicContact CB-CB 4.42Å; L257-I262 HydrophobicContact CD2-CB 4.21Å; L257-I262 HydrophobicContact CD2-CD1 4.26Å; L257-I262 HydrophobicContact CD2-CG2 4.17Å; L257-I262 PolarHBondContact O-N 2.83Å; L260-I262 HydrophobicContact CB-CD1 3.62Å; L260-I262 HydrophobicContact CB-CG1 3.73Å; L260-I262 HydrophobicContact CD1-CD1 3.8Å; L260-I262 HydrophobicContact CG-CD1 4.38Å; L260-I262 PolarHBondContact O-N 2.93Å; I262-I291 HydrophobicContact CG2-CD1 4.01Å; I262-I291 HydrophobicContact CG2-CG1 4.45Å; I262-I291 HydrophobicContact CG2-CG2 3.8Å; I262-D295 HydrophobicContact CG2-CB 4.24Å; I262-R297 HydrophobicContact CD1-CB 3.85Å; I262-R297 HydrophobicContact CD1-CG 3.65Å; I262-R297 HydrophobicContact CG1-CG 4.02Å; I262-I300 HydrophobicContact CD1-CD1 3.82Å; I262-I300 HydrophobicContact CD1-CG1 3.55Å | ||
| 263 | P | 96.9 | Very high | 97.5 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 20% | 0.195 | 16% | 0.157 | C | C | . | . | trans | -65.4 | 134.1 | 170.5 | -18.9 | 33 | 0 | 0 | 0 | 111.2 | D261 | D261-P263 WeakPolarHBondContact O-CD 3.27Š| ||
| 264 | F | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | trans | -136.8 | 160.5 | 170.8 | 77.2 | -81.6 | 0 | 0 | 0 | 109.9 | L250 A254 L257 I289 G290 I291 V377 R378 | L250-F264 HydrophobicContact CD1-CE2 4.34Å; A254-F264 HydrophobicContact CB-CE1 3.98Å; A254-F264 HydrophobicContact CB-CZ 3.68Å; L257-F264 HydrophobicContact CB-CD1 4.11Å; L257-F264 HydrophobicContact CD1-CB 3.8Å; L257-F264 HydrophobicContact CD1-CD1 3.71Å; L257-F264 HydrophobicContact CD1-CD2 4.45Å; L257-F264 HydrophobicContact CD1-CE1 4.47Å; L257-F264 HydrophobicContact CD1-CG 3.71Å; F264-I289 HydrophobicContact CB-CD1 4.46Å; F264-I289 HydrophobicContact CD2-CB 4.12Å; F264-I289 HydrophobicContact CD2-CD1 4.19Å; F264-I289 HydrophobicContact CD2-CG2 3.94Å; F264-I289 HydrophobicContact CE2-CG2 4.27Å; F264-I289 HydrophobicContact CG-CD1 4.48Å; F264-G290 VanDerWaalsContact CA-O 3.25Å; F264-G290 WeakPolarHBondContact CA-O 3.27Å; F264-G290 WeakPolarHBondContact CB-O 3.49Å; F264-I291 HydrophobicContact CB-CG1 3.93Å; F264-V377 HydrophobicContact CE2-CG1 4.17Å; F264-V377 HydrophobicContact CZ-CG1 4.23Å; F264-R378 VanDerWaalsContact O-CB 3.27Å; F264-R378 WeakPolarHBondContact O-CB 3.3Å | ||
| 265 | W | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 158 | 170.2 | 64.2 | 101 | 0 | 0 | 0 | 110.8 | I289 G290 F292 F338 F365 L367 R378 | W265-I289 CarbonylContact O-C 3.57Å; W265-I289 WeakPolarHBondContact O-CA 3.19Å; W265-I289 WeakPolarHBondContact O-CB 3.23Å; W265-G290 WeakPolarHBondContact CZ3-O 3.28Å; W265-G290 PolarHBondContact N-O 3.38Å; W265-G290 PolarHBondContact O-N 2.83Å; W265-F292 HydrophobicContact CH2-CD1 4.09Å; W265-F292 HydrophobicContact CH2-CD2 4.2Å; W265-F292 HydrophobicContact CH2-CE1 4.14Å; W265-F292 HydrophobicContact CH2-CE2 4.25Å; W265-F292 HydrophobicContact CH2-CG 4.11Å; W265-F292 HydrophobicContact CH2-CZ 4.21Å; W265-F292 AromaticContact CZ3-CD2 3.83Å; W265-F292 HydrophobicContact CZ3-CD2 3.83Å; W265-F292 AromaticContact CZ3-CE2 3.98Å; W265-F292 HydrophobicContact CZ3-CE2 3.98Å; W265-F292 HydrophobicContact CZ3-CG 4.11Å; W265-F292 HydrophobicContact CZ3-CZ 4.38Å; W265-F338 HydrophobicContact CH2-CB 3.88Å; W265-F338 AromaticContact CH2-CD2 3.69Å; W265-F338 HydrophobicContact CH2-CD2 3.69Å; W265-F338 HydrophobicContact CH2-CE2 4.38Å; W265-F338 AromaticContact CH2-CG 3.84Å; W265-F338 HydrophobicContact CH2-CG 3.84Å; W265-F338 HydrophobicContact CZ2-CB 4.05Å; W265-F338 AromaticContact CZ2-CD1 3.96Å; W265-F338 HydrophobicContact CZ2-CD1 3.96Å; W265-F338 AromaticContact CZ2-CD2 3.27Å; W265-F338 HydrophobicContact CZ2-CD2 3.27Å; W265-F338 HydrophobicContact CZ2-CE1 4.2Å; W265-F338 AromaticContact CZ2-CE2 3.57Å; W265-F338 HydrophobicContact CZ2-CE2 3.57Å; W265-F338 AromaticContact CZ2-CG 3.49Å; W265-F338 HydrophobicContact CZ2-CG 3.49Å; W265-F338 VanDerWaalsContact CZ2-CG 3.49Å; W265-F338 HydrophobicContact CZ2-CZ 4.03Å; W265-F365 HydrophobicContact CH2-CZ 4.39Å; W265-F365 HydrophobicContact CZ2-CE2 4.07Å; W265-F365 AromaticContact CZ2-CZ 3.74Å; W265-F365 HydrophobicContact CZ2-CZ 3.74Å; W265-L367 HydrophobicContact CB-CD2 3.95Å; W265-L367 HydrophobicContact CD2-CD2 3.93Å; W265-L367 HydrophobicContact CE3-CD1 3.92Å; W265-L367 HydrophobicContact CE3-CD2 3.88Å; W265-L367 HydrophobicContact CG-CD2 3.97Å; W265-L367 HydrophobicContact CZ3-CD1 4.42Å; W265-R378 CarbonylContact C-O 3.51Å; W265-R378 WeakPolarHBondContact CA-O 3.39Å; W265-R378 HydrophobicContact CB-CB 3.96Å; W265-R378 VanDerWaalsContact CB-O 3.23Å; W265-R378 WeakPolarHBondContact CB-O 3.19Å |
| 266 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.1 | 168.8 | 56.2 | 173.6 | 0 | 0 | 0 | 109.4 | L250 T270 C271 W274 L372 V377 R378 V379 | L250-I266 HydrophobicContact CD1-CG2 4.05Å; I266-T270 HydrophobicContact CB-CG2 3.77Å; I266-T270 HydrophobicContact CG2-CG2 3.8Å; I266-C271 HydrophobicContact CG1-CB 4.43Å; I266-C271 VanDerWaalsContact O-CB 3.31Å; I266-C271 WeakPolarHBondContact O-CB 3.45Å; I266-W274 HydrophobicContact CD1-CB 3.49Å; I266-W274 VanDerWaalsContact CD1-CB 3.49Å; I266-W274 HydrophobicContact CD1-CD2 4.32Å; I266-W274 HydrophobicContact CD1-CG 3.79Å; I266-L372 HydrophobicContact CD1-CB 4.4Å; I266-L372 HydrophobicContact CD1-CD2 3.83Å; I266-L372 HydrophobicContact CG2-CD2 4.24Å; I266-V377 HydrophobicContact CD1-CG2 4.26Å; I266-V377 HydrophobicContact CG1-CG2 4.45Å; I266-V377 HydrophobicContact CG2-CB 4.13Å; I266-V377 HydrophobicContact CG2-CG1 4.14Å; I266-V377 HydrophobicContact CG2-CG2 4.18Å; I266-R378 PolarHBondContact N-O 3.04Å; I266-V379 HydrophobicContact CD1-CG1 3.75Å; I266-V379 HydrophobicContact CG1-CG1 3.6Å |
| 267 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -117.1 | 176.4 | -173.2 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | G269 T270 C271 D288 Y386 | S267-G269 PolarHBondContact O-N 2.96Å; S267-T270 WeakPolarHBondContact O-CA 3.35Å; S267-T270 WeakPolarHBondContact O-CB 3.1Å; S267-T270 PolarHBondContact O-N 3.06Å; S267-C271 PolarHBondContact O-N 2.85Å; S267-D288 PolarHBondContact N-O 3.18Å; S267-Y386 PolarHBondContact OG-OH 2.83Å | ||
| 268 | S | 96.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | 43 | -127.2 | 168 | -50.8 | 0 | 0 | 0 | 0 | 113.6 | T270 C271 L272 D288 Y391 | S268-T270 PolarHBondContact O-N 2.96Å; S268-C271 PolarHBondContact O-N 3.17Å; S268-L272 PolarHBondContact O-N 3.02Å; S268-D288 WeakPolarHBondContact CB-OD2 3.32Å; S268-Y391 PolarHBondContact O-OH 2.74Å |
| 269 | G | 97 | Very high | 97.4 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.3 | -27.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S267 G273 I281 D288 Y391 | S267-G269 PolarHBondContact O-N 2.96Å; G269-G273 PolarHBondContact O-N 2.81Å; G269-I281 WeakPolarHBondContact O-CD1 3.28Å; G269-D288 PolarHBondContact N-OD2 2.56Å; G269-Y391 VanDerWaalsContact CA-OH 3.26Å; G269-Y391 WeakPolarHBondContact CA-OH 3.36Å; G269-Y391 PolarHBondContact N-OH 2.87Å |
| 270 | T | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.9 | -43.8 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | I266 S267 S268 G273 W274 V287 D288 L372 | I266-T270 HydrophobicContact CB-CG2 3.77Å; I266-T270 HydrophobicContact CG2-CG2 3.8Å; S267-T270 WeakPolarHBondContact O-CA 3.35Å; S267-T270 WeakPolarHBondContact O-CB 3.1Å; S267-T270 PolarHBondContact O-N 3.06Å; S268-T270 PolarHBondContact O-N 2.96Å; T270-G273 PolarHBondContact O-N 3.39Å; T270-W274 PolarHBondContact O-N 2.78Å; T270-W274 VanDerWaalsContact O-N 3.09Å; T270-V287 HydrophobicContact CG2-CG1 4.21Å; T270-D288 PolarHBondContact OG1-N 3.15Å; T270-L372 HydrophobicContact CG2-CD2 3.64Å |
| 271 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 174.5 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | I266 S267 S268 G273 W274 Y275 Y386 | I266-C271 HydrophobicContact CG1-CB 4.43Å; I266-C271 VanDerWaalsContact O-CB 3.31Å; I266-C271 WeakPolarHBondContact O-CB 3.45Å; S267-C271 PolarHBondContact O-N 2.85Å; S268-C271 PolarHBondContact O-N 3.17Å; C271-G273 VanDerWaalsContact C-N 3.34Å; C271-G273 PolarHBondContact O-N 3.08Å; C271-W274 PolarHBondContact O-N 3.11Å; C271-Y275 WeakPolarHBondContact O-CB 3.37Å; C271-Y275 PolarHBondContact O-N 3.01Å; C271-Y386 HydrophobicContact CB-CE1 4.36Å |
| 272 | L | 98.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 3% | 0.026 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 175.8 | 175.5 | 62.9 | 0 | 0 | 0 | 111.3 | S268 W274 Y275 R276 I281 V387 Y391 W395 | S268-L272 PolarHBondContact O-N 3.02Å; L272-W274 VanDerWaalsContact C-N 3.35Å; L272-W274 PolarHBondContact O-N 2.82Å; L272-Y275 PolarHBondContact O-N 2.87Å; L272-R276 HydrophobicContact CD1-CB 4.19Å; L272-R276 WeakPolarHBondContact O-CB 3.44Å; L272-R276 PolarHBondContact O-N 3.02Å; L272-I281 HydrophobicContact CB-CD1 4.24Å; L272-I281 HydrophobicContact CD2-CD1 3.8Å; L272-I281 HydrophobicContact CG-CD1 3.95Å; L272-V387 HydrophobicContact CD1-CG1 3.75Å; L272-Y391 HydrophobicContact CB-CD2 4.32Å; L272-Y391 HydrophobicContact CB-CE2 3.76Å; L272-Y391 HydrophobicContact CD1-CD2 4.36Å; L272-Y391 HydrophobicContact CD2-CD1 3.74Å; L272-Y391 HydrophobicContact CD2-CD2 3.98Å; L272-Y391 HydrophobicContact CD2-CE1 3.6Å; L272-Y391 HydrophobicContact CD2-CE2 3.84Å; L272-Y391 HydrophobicContact CD2-CG 3.94Å; L272-Y391 HydrophobicContact CG-CD2 4.45Å; L272-Y391 HydrophobicContact CG-CE2 4.28Å; L272-W395 HydrophobicContact CD1-CE3 4.09Å |
| 273 | G | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G269 T270 C271 Q277 C278 G279 | G269-G273 PolarHBondContact O-N 2.81Å; T270-G273 PolarHBondContact O-N 3.39Å; C271-G273 VanDerWaalsContact C-N 3.34Å; C271-G273 PolarHBondContact O-N 3.08Å; G273-Q277 CarbonylContact O-C 3.55Å; G273-Q277 WeakPolarHBondContact O-CG 3.35Å; G273-Q277 PolarHBondContact O-N 3.31Å; G273-C278 PolarHBondContact O-N 2.88Å; G273-G279 CarbonylContact C-O 3.57Å; G273-G279 VanDerWaalsContact CA-O 3.29Å; G273-G279 WeakPolarHBondContact CA-O 3.09Å; G273-G279 PolarHBondContact O-N 3.32Å; G273-G279 VanDerWaalsContact O-O 3.13Å |
| 274 | W | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.3 | -51.5 | 177 | 171.5 | 79.5 | 0 | 0 | 0 | 111.3 | L217 C219 I266 T270 C271 L272 R276 C278 G279 A370 E371 L372 V379 T383 | L217-W274 HydrophobicContact CB-CH2 3.98Å; L217-W274 HydrophobicContact CB-CZ2 4.26Å; L217-W274 HydrophobicContact CD1-CH2 4.43Å; C219-W274 PolarHBondContact SG-O 3.12Å; C219-W274 VanDerWaalsContact SG-O 3.37Å; I266-W274 HydrophobicContact CD1-CB 3.49Å; I266-W274 VanDerWaalsContact CD1-CB 3.49Å; I266-W274 HydrophobicContact CD1-CD2 4.32Å; I266-W274 HydrophobicContact CD1-CG 3.79Å; T270-W274 PolarHBondContact O-N 2.78Å; T270-W274 VanDerWaalsContact O-N 3.09Å; C271-W274 PolarHBondContact O-N 3.11Å; L272-W274 VanDerWaalsContact C-N 3.35Å; L272-W274 PolarHBondContact O-N 2.82Å; W274-R276 PolarHBondContact O-N 3.34Å; W274-C278 WeakPolarHBondContact O-CA 3.49Å; W274-C278 PolarHBondContact O-N 3.48Å; W274-C278 VanDerWaalsContact O-N 3.13Å; W274-G279 PolarHBondContact N-O 3.21Å; W274-A370 HydrophobicContact CH2-CB 4.31Å; W274-A370 HydrophobicContact CZ2-CB 3.6Å; W274-E371 VanDerWaalsContact CD1-O 3.26Å; W274-E371 PolarHBondContact NE1-O 2.75Å; W274-E371 VanDerWaalsContact NE1-O 3.11Å; W274-L372 HydrophobicContact CB-CD1 4.27Å; W274-L372 HydrophobicContact CB-CD2 4.5Å; W274-V379 HydrophobicContact CD2-CG1 3.97Å; W274-V379 HydrophobicContact CE3-CB 4.37Å; W274-V379 HydrophobicContact CE3-CG1 3.66Å; W274-V379 HydrophobicContact CH2-CB 4.34Å; W274-V379 HydrophobicContact CH2-CG1 4.13Å; W274-V379 HydrophobicContact CH2-CG2 3.76Å; W274-V379 HydrophobicContact CZ2-CG1 4.4Å; W274-V379 HydrophobicContact CZ2-CG2 4.4Å; W274-V379 HydrophobicContact CZ3-CB 3.98Å; W274-V379 HydrophobicContact CZ3-CG1 3.73Å; W274-V379 HydrophobicContact CZ3-CG2 3.89Å; W274-T383 HydrophobicContact CE3-CG2 4.21Å; W274-T383 HydrophobicContact CZ3-CG2 3.7Å |
| 275 | Y | 98.1 | Very high | 95.4 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 13% | 0.129 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.1 | -34.5 | -174.1 | -172.3 | -107.7 | 0 | 0 | 0 | 113.8 | R220 C271 L272 T383 L384 V387 W395 | R220-Y275 VanDerWaalsContact NH1-CZ 3.28Å; R220-Y275 PolarHBondContact NH1-OH 3.45Å; C271-Y275 WeakPolarHBondContact O-CB 3.37Å; C271-Y275 PolarHBondContact O-N 3.01Å; L272-Y275 PolarHBondContact O-N 2.87Å; Y275-T383 HydrophobicContact CD2-CG2 3.49Å; Y275-T383 VanDerWaalsContact CD2-CG2 3.49Å; Y275-T383 HydrophobicContact CE2-CG2 4.11Å; Y275-T383 HydrophobicContact CG-CG2 3.79Å; Y275-L384 HydrophobicContact CE1-CB 4.44Å; Y275-L384 HydrophobicContact CE1-CD1 3.87Å; Y275-V387 HydrophobicContact CD1-CG2 4.3Å; Y275-W395 HydrophobicContact CD1-CE3 4.5Å; Y275-W395 HydrophobicContact CD1-CH2 4.22Å; Y275-W395 AromaticContact CD1-CZ3 3.99Å; Y275-W395 HydrophobicContact CD1-CZ3 3.99Å; Y275-W395 AromaticContact CE1-CH2 3.83Å; Y275-W395 HydrophobicContact CE1-CH2 3.83Å; Y275-W395 HydrophobicContact CE1-CZ2 4.22Å; Y275-W395 HydrophobicContact CE1-CZ3 4.08Å |
| 276 | R | 97.5 | Very high | 95.1 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -90 | -38.8 | -174.8 | -173.8 | 173.8 | 69 | -170.6 | 1.2 | 113.4 | A224 F227 L272 W274 W395 | A224-R276 WeakPolarHBondContact CA-O 3.42Å; F227-R276 HydrophobicContact CD1-CG 4.19Å; F227-R276 HydrophobicContact CD2-CG 3.75Å; F227-R276 HydrophobicContact CE1-CG 4.22Å; F227-R276 VanDerWaalsContact CE2-CD 3.43Å; F227-R276 HydrophobicContact CE2-CG 3.78Å; F227-R276 HydrophobicContact CG-CG 3.97Å; F227-R276 HydrophobicContact CZ-CG 4.01Å; F227-R276 VanDerWaalsContact CZ-NE 3.35Å; L272-R276 HydrophobicContact CD1-CB 4.19Å; L272-R276 WeakPolarHBondContact O-CB 3.44Å; L272-R276 PolarHBondContact O-N 3.02Å; W274-R276 PolarHBondContact O-N 3.34Å; R276-W395 HydrophobicContact CB-CZ3 4.2Å; R276-W395 HydrophobicContact CG-CZ3 4.15Å; R276-W395 PolarHBondContact NH1-O 3.19Å |
| 277 | Q | 96.1 | Very high | 95.1 | Very high | 17 Ų | 17 | 24.6 Ų | 24.6 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -139.1 | 14.8 | -166.4 | 60.9 | -177.6 | 90.5 | 0 | 0 | 114.3 | F227 L228 G273 G279 V280 | F227-Q277 HydrophobicContact CD1-CB 3.81Å; F227-Q277 HydrophobicContact CE1-CB 3.82Å; F227-Q277 HydrophobicContact CE1-CG 4.5Å; L228-Q277 HydrophobicContact CD2-CB 4.29Å; G273-Q277 CarbonylContact O-C 3.55Å; G273-Q277 WeakPolarHBondContact O-CG 3.35Å; G273-Q277 PolarHBondContact O-N 3.31Å; Q277-G279 PolarHBondContact O-N 2.92Å; Q277-G279 VanDerWaalsContact O-N 3.11Å; Q277-V280 PolarHBondContact NE2-O 2.76Å |
| 278 | C | 95.8 | Very high | 95.1 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 20% | 0.196 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 52.1 | 32.4 | 180 | -60.6 | 0 | 0 | 0 | 0 | 114.5 | C219 Y221 A224 G273 W274 | C219-C278 HydrophobicContact CB-CB 3.97Å; C219-C278 WeakPolarHBondContact CB-SG 3.44Å; C219-C278 WeakPolarHBondContact SG-CA 3.46Å; C219-C278 WeakPolarHBondContact SG-CB 3.38Å; C219-C278 CovalentContact SG-SG 2.01Å; C219-C278 PolarHBondContact SG-SG 3.03Å; Y221-C278 HydrophobicContact CD1-CB 4.37Å; Y221-C278 HydrophobicContact CE1-CB 4.27Å; A224-C278 HydrophobicContact CB-CB 4.19Å; A224-C278 WeakPolarHBondContact CB-SG 3.44Å; G273-C278 PolarHBondContact O-N 2.88Å; W274-C278 WeakPolarHBondContact O-CA 3.49Å; W274-C278 PolarHBondContact O-N 3.48Å; W274-C278 VanDerWaalsContact O-N 3.13Å |
| 279 | G | 95.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 12% | 0.124 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -162 | -159.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G273 W274 Q277 | G273-G279 CarbonylContact C-O 3.57Å; G273-G279 VanDerWaalsContact CA-O 3.29Å; G273-G279 WeakPolarHBondContact CA-O 3.09Å; G273-G279 PolarHBondContact O-N 3.32Å; G273-G279 VanDerWaalsContact O-O 3.13Å; W274-G279 PolarHBondContact N-O 3.21Å; Q277-G279 PolarHBondContact O-N 2.92Å; Q277-G279 VanDerWaalsContact O-N 3.11Å |
| 280 | V | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.024 | 11% | 0.111 | C | C | . | . | trans | -107.2 | 150.9 | 172.7 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | F242 R243 A246 Q277 S282 L372 L373 | F242-V280 HydrophobicContact CD1-CG2 4.17Å; F242-V280 HydrophobicContact CE1-CB 4.24Å; F242-V280 HydrophobicContact CE1-CG2 3.83Å; R243-V280 HydrophobicContact CB-CG2 4.45Å; R243-V280 HydrophobicContact CG-CG2 3.79Å; A246-V280 HydrophobicContact CB-CG2 4.42Å; Q277-V280 PolarHBondContact NE2-O 2.76Å; V280-S282 PolarHBondContact O-N 2.96Å; V280-L372 HydrophobicContact CG1-CD1 4.43Å; V280-L372 HydrophobicContact CG1-CD2 4.13Å; V280-L373 HydrophobicContact CG1-CD1 3.86Å; V280-L373 HydrophobicContact CG2-CD1 4.38Å | ||
| 281 | I | 95.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | trans | -79.5 | 107.6 | 176.4 | -58.9 | 174.2 | 0 | 0 | 0 | 107.9 | G269 L272 Y283 S284 | G269-I281 WeakPolarHBondContact O-CD1 3.28Å; L272-I281 HydrophobicContact CB-CD1 4.24Å; L272-I281 HydrophobicContact CD2-CD1 3.8Å; L272-I281 HydrophobicContact CG-CD1 3.95Å; I281-Y283 HydrophobicContact CG2-CD1 3.92Å; I281-Y283 HydrophobicContact CG2-CD2 3.68Å; I281-Y283 HydrophobicContact CG2-CE1 3.57Å; I281-Y283 HydrophobicContact CG2-CE2 3.31Å; I281-Y283 HydrophobicContact CG2-CG 3.96Å; I281-Y283 PolarHBondContact O-N 3.4Å; I281-S284 PolarHBondContact O-N 2.88Å; I281-S284 PolarHBondContact O-OG 3.42Å; I281-S284 VanDerWaalsContact O-OG 3.05Å | ||
| 282 | S | 90.5 | Very high | 95.3 | Very high | 12 Ų | 12 | 24.2 Ų | 24.2 | 8% | 0.084 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.8 | -170.9 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | D234 V280 | D234-S282 WeakPolarHBondContact CB-OG 3.46Å; V280-S282 PolarHBondContact O-N 2.96Å |
| 283 | Y | 88.1 | Confident | 95.3 | Very high | 78 Ų | 78 | 25.6 Ų | 25.6 | 31% | 0.306 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 1.4 | -179.2 | 53.9 | -97.6 | 0 | 0 | 0 | 114.7 | I281 K400 | I281-Y283 HydrophobicContact CG2-CD1 3.92Å; I281-Y283 HydrophobicContact CG2-CD2 3.68Å; I281-Y283 HydrophobicContact CG2-CE1 3.57Å; I281-Y283 HydrophobicContact CG2-CE2 3.31Å; I281-Y283 HydrophobicContact CG2-CG 3.96Å; I281-Y283 PolarHBondContact O-N 3.4Å; Y283-K400 HydrophobicContact CD2-CG 4.28Å; Y283-K400 HydrophobicContact CE1-CG 4.45Å; Y283-K400 HydrophobicContact CE2-CG 4.15Å; Y283-K400 HydrophobicContact CG-CG 4.5Å |
| 284 | S | 84.5 | Confident | 95.3 | Very high | 35 Ų | 35 | 29.7 Ų | 29.7 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -37 | 170.3 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | I281 D286 | I281-S284 PolarHBondContact O-N 2.88Å; I281-S284 PolarHBondContact O-OG 3.42Å; I281-S284 VanDerWaalsContact O-OG 3.05Å; S284-D286 PolarHBondContact O-N 3.21Å; S284-D286 PolarHBondContact OG-O 2.8Å |
| 285 | R | 85.6 | Confident | 95.3 | Very high | 194 Ų | 194 | 31.1 Ų | 31.1 | 73% | 0.732 | 16% | 0.157 | S | C | * | . | trans | 68.5 | 3.5 | 178 | -54 | -179.3 | 176.2 | 175.6 | -1.4 | 115.9 | F242 | F242-R285 VanDerWaalsContact CE2-C 3.41Å; F242-R285 VanDerWaalsContact CE2-CA 3.49Å | ||
| 286 | D | 93 | Very high | 95.3 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 168 | 173.4 | 47.6 | 15.9 | 0 | 0 | 0 | 111.7 | S284 K332 | S284-D286 PolarHBondContact O-N 3.21Å; S284-D286 PolarHBondContact OG-O 2.8Å; D286-K332 WeakPolarHBondContact CA-O 3.36Å; D286-K332 HydrophobicContact CB-CB 4.28Å; D286-K332 WeakPolarHBondContact CB-O 3.43Å |
| 287 | V | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.6 | 170.8 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | A246 L249 L250 T270 V331 K332 L333 D334 | A246-V287 HydrophobicContact CB-CG2 3.76Å; L249-V287 HydrophobicContact CD2-CB 3.94Å; L249-V287 HydrophobicContact CD2-CG2 3.87Å; L250-V287 HydrophobicContact CD1-CG1 4.43Å; T270-V287 HydrophobicContact CG2-CG1 4.21Å; V287-V331 HydrophobicContact CG2-CG1 4.38Å; V287-K332 PolarHBondContact N-O 2.87Å; V287-L333 HydrophobicContact CB-CD1 4.15Å; V287-L333 HydrophobicContact CG1-CD1 3.87Å; V287-L333 CarbonylContact O-C 3.52Å; V287-L333 VanDerWaalsContact O-CA 3.31Å; V287-L333 WeakPolarHBondContact O-CA 3.25Å; V287-D334 PolarHBondContact O-N 2.99Å |
| 288 | D | 98.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.9 | -177.6 | -51 | -76.6 | 0 | 0 | 0 | 109.9 | S267 S268 G269 T270 F336 | S267-D288 PolarHBondContact N-O 3.18Å; S268-D288 WeakPolarHBondContact CB-OD2 3.32Å; G269-D288 PolarHBondContact N-OD2 2.56Å; T270-D288 PolarHBondContact OG1-N 3.15Å; D288-F336 HydrophobicContact CB-CE2 4.24Å; D288-F336 WeakPolarHBondContact OD1-CE2 3.36Å |
| 289 | I | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154.5 | 169.4 | 64.5 | 172.2 | 0 | 0 | 0 | 111.2 | L250 L257 F264 W265 L333 D334 I335 F336 | L250-I289 HydrophobicContact CD1-CG2 4.4Å; L257-I289 HydrophobicContact CD1-CD1 3.64Å; F264-I289 HydrophobicContact CB-CD1 4.46Å; F264-I289 HydrophobicContact CD2-CB 4.12Å; F264-I289 HydrophobicContact CD2-CD1 4.19Å; F264-I289 HydrophobicContact CD2-CG2 3.94Å; F264-I289 HydrophobicContact CE2-CG2 4.27Å; F264-I289 HydrophobicContact CG-CD1 4.48Å; W265-I289 CarbonylContact O-C 3.57Å; W265-I289 WeakPolarHBondContact O-CA 3.19Å; W265-I289 WeakPolarHBondContact O-CB 3.23Å; I289-L333 HydrophobicContact CD1-CD1 4.24Å; I289-L333 HydrophobicContact CD1-CD2 4.4Å; I289-L333 HydrophobicContact CG1-CD1 4.07Å; I289-L333 HydrophobicContact CG2-CD1 4.15Å; I289-D334 PolarHBondContact N-O 2.83Å; I289-I335 HydrophobicContact CD1-CD1 4.02Å; I289-I335 HydrophobicContact CD1-CG1 3.86Å; I289-I335 HydrophobicContact CG1-CB 4.24Å; I289-I335 HydrophobicContact CG1-CD1 4.5Å; I289-I335 HydrophobicContact CG1-CG1 3.79Å; I289-I335 HydrophobicContact CG1-CG2 4.26Å; I289-F336 PolarHBondContact O-N 2.86Å |
| 290 | G | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F264 W265 F336 | F264-G290 VanDerWaalsContact CA-O 3.25Å; F264-G290 WeakPolarHBondContact CA-O 3.27Å; F264-G290 WeakPolarHBondContact CB-O 3.49Å; W265-G290 WeakPolarHBondContact CZ3-O 3.28Å; W265-G290 PolarHBondContact N-O 3.38Å; W265-G290 PolarHBondContact O-N 2.83Å; G290-F336 WeakPolarHBondContact CA-O 3.46Å |
| 291 | I | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.7 | 171 | -61.9 | -179.8 | 0 | 0 | 0 | 107.8 | L257 I262 F264 D295 I335 F336 F337 F338 | L257-I291 HydrophobicContact CD1-CD1 4.07Å; L257-I291 HydrophobicContact CD2-CD1 3.84Å; I262-I291 HydrophobicContact CG2-CD1 4.01Å; I262-I291 HydrophobicContact CG2-CG1 4.45Å; I262-I291 HydrophobicContact CG2-CG2 3.8Å; F264-I291 HydrophobicContact CB-CG1 3.93Å; I291-D295 HydrophobicContact CG2-CB 4.17Å; I291-I335 HydrophobicContact CB-CG2 4.4Å; I291-I335 HydrophobicContact CD1-CG2 3.52Å; I291-I335 HydrophobicContact CG1-CG2 3.86Å; I291-F336 PolarHBondContact N-O 3.21Å; I291-F337 HydrophobicContact CB-CD1 4.12Å; I291-F337 HydrophobicContact CB-CE1 3.99Å; I291-F337 HydrophobicContact CG2-CD1 4.16Å; I291-F337 HydrophobicContact CG2-CE1 3.87Å; I291-F337 CarbonylContact O-C 3.56Å; I291-F337 VanDerWaalsContact O-CA 3.32Å; I291-F337 WeakPolarHBondContact O-CA 3.16Å; I291-F338 PolarHBondContact O-N 2.9Å |
| 292 | F | 98.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136.9 | 170.4 | -75.5 | -62.6 | 0 | 0 | 0 | 109.3 | W265 S294 D295 F338 R340 V345 F365 L367 | W265-F292 HydrophobicContact CH2-CD1 4.09Å; W265-F292 HydrophobicContact CH2-CD2 4.2Å; W265-F292 HydrophobicContact CH2-CE1 4.14Å; W265-F292 HydrophobicContact CH2-CE2 4.25Å; W265-F292 HydrophobicContact CH2-CG 4.11Å; W265-F292 HydrophobicContact CH2-CZ 4.21Å; W265-F292 AromaticContact CZ3-CD2 3.83Å; W265-F292 HydrophobicContact CZ3-CD2 3.83Å; W265-F292 AromaticContact CZ3-CE2 3.98Å; W265-F292 HydrophobicContact CZ3-CE2 3.98Å; W265-F292 HydrophobicContact CZ3-CG 4.11Å; W265-F292 HydrophobicContact CZ3-CZ 4.38Å; F292-S294 PolarHBondContact O-N 2.66Å; F292-S294 VanDerWaalsContact O-N 3.12Å; F292-D295 WeakPolarHBondContact O-CA 3.34Å; F292-D295 WeakPolarHBondContact O-CB 3.22Å; F292-D295 PolarHBondContact O-N 2.75Å; F292-F338 HydrophobicContact CD1-CB 4.1Å; F292-F338 HydrophobicContact CE1-CB 4.39Å; F292-R340 HydrophobicContact CE1-CG 4.42Å; F292-V345 HydrophobicContact CE1-CG1 3.95Å; F292-F365 HydrophobicContact CE1-CE2 4.5Å; F292-F365 HydrophobicContact CE1-CZ 4.41Å; F292-F365 AromaticContact CZ-CE2 3.83Å; F292-F365 HydrophobicContact CZ-CE2 3.83Å; F292-F365 HydrophobicContact CZ-CZ 4.18Å; F292-L367 HydrophobicContact CE2-CD1 4.13Å; F292-L367 HydrophobicContact CE2-CG 4.37Å |
| 293 | I | 98.5 | Very high | 96.1 | Very high | 34 Ų | 34 | 47 Ų | 47 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -60.6 | -26.8 | -178.6 | -166.5 | 65.4 | 0 | 0 | 0 | 113.1 | D295 F296 V318 L322 F337 F338 Y339 | I293-D295 PolarHBondContact O-N 2.93Å; I293-F296 HydrophobicContact CD1-CB 4.09Å; I293-F296 VanDerWaalsContact O-CB 3.23Å; I293-F296 WeakPolarHBondContact O-CB 3.14Å; I293-F296 PolarHBondContact O-N 3.25Å; I293-V318 HydrophobicContact CD1-CG1 4.06Å; I293-V318 VanDerWaalsContact CD1-O 3.23Å; I293-V318 WeakPolarHBondContact CD1-O 3.45Å; I293-V318 HydrophobicContact CG1-CG1 4.23Å; I293-V318 WeakPolarHBondContact CG1-O 3.49Å; I293-L322 HydrophobicContact CD1-CB 4.48Å; I293-L322 HydrophobicContact CD1-CD2 4.09Å; I293-F337 HydrophobicContact CD1-CB 3.86Å; I293-F337 HydrophobicContact CD1-CD1 3.77Å; I293-F337 HydrophobicContact CD1-CG 3.96Å; I293-F338 PolarHBondContact N-O 3.39Å; I293-Y339 HydrophobicContact CB-CD1 4.12Å; I293-Y339 HydrophobicContact CB-CE1 3.95Å; I293-Y339 HydrophobicContact CD1-CE1 4.27Å; I293-Y339 HydrophobicContact CG1-CD1 4.29Å; I293-Y339 HydrophobicContact CG1-CE1 3.67Å; I293-Y339 HydrophobicContact CG2-CD1 3.64Å; I293-Y339 HydrophobicContact CG2-CE1 3.93Å; I293-Y339 HydrophobicContact CG2-CG 4.11Å |
| 294 | S | 98 | Very high | 96.5 | Very high | 86 Ų | 86 | 43.3 Ų | 43.3 | 60% | 0.601 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -60.3 | -24.5 | 172.2 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | F292 R297 | F292-S294 PolarHBondContact O-N 2.66Å; F292-S294 VanDerWaalsContact O-N 3.12Å; S294-R297 PolarHBondContact O-NH1 2.85Å |
| 295 | D | 98.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 49 Ų | 49 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -97 | 3.5 | 178.7 | -58 | -42.3 | 0 | 0 | 0 | 112.4 | I262 I291 F292 I293 R297 | I262-D295 HydrophobicContact CG2-CB 4.24Å; I291-D295 HydrophobicContact CG2-CB 4.17Å; F292-D295 WeakPolarHBondContact O-CA 3.34Å; F292-D295 WeakPolarHBondContact O-CB 3.22Å; F292-D295 PolarHBondContact O-N 2.75Å; I293-D295 PolarHBondContact O-N 2.93Å; D295-R297 PolarHBondContact O-N 3.2Å |
| 296 | F | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | trans | -57.9 | 138.1 | 174.2 | 175.2 | -102.8 | 0 | 0 | 0 | 110.9 | I293 P298 I300 V318 L322 F337 | I293-F296 HydrophobicContact CD1-CB 4.09Å; I293-F296 VanDerWaalsContact O-CB 3.23Å; I293-F296 WeakPolarHBondContact O-CB 3.14Å; I293-F296 PolarHBondContact O-N 3.25Å; F296-P298 HydrophobicContact CE1-CG 4.14Å; F296-I300 HydrophobicContact CD2-CD1 3.97Å; F296-I300 HydrophobicContact CE2-CD1 4.4Å; F296-V318 HydrophobicContact CD1-CG1 4.16Å; F296-V318 HydrophobicContact CD1-CG2 3.79Å; F296-V318 HydrophobicContact CE1-CG2 3.49Å; F296-V318 VanDerWaalsContact CE1-CG2 3.49Å; F296-V318 HydrophobicContact CZ-CG2 4.02Å; F296-L322 HydrophobicContact CD2-CD2 3.8Å; F296-L322 HydrophobicContact CE2-CD2 3.77Å; F296-L322 HydrophobicContact CG-CD2 4.47Å; F296-L322 HydrophobicContact CZ-CD2 4.41Å; F296-F337 HydrophobicContact CB-CD1 4.38Å; F296-F337 HydrophobicContact CB-CE1 4.01Å; F296-F337 HydrophobicContact CD2-CD1 4.43Å; F296-F337 AromaticContact CD2-CE1 3.61Å; F296-F337 HydrophobicContact CD2-CE1 3.61Å; F296-F337 AromaticContact CD2-CZ 3.7Å; F296-F337 HydrophobicContact CD2-CZ 3.7Å; F296-F337 HydrophobicContact CE2-CZ 4.31Å; F296-F337 HydrophobicContact CG-CE1 4.28Å | ||
| 297 | R | 97.6 | Very high | 97.8 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | trans | -134.8 | 128.5 | 174.8 | -61.6 | -64.2 | -179.3 | -98 | -2.9 | 107.8 | I262 S294 D295 Q299 I300 | I262-R297 HydrophobicContact CD1-CB 3.85Å; I262-R297 HydrophobicContact CD1-CG 3.65Å; I262-R297 HydrophobicContact CG1-CG 4.02Å; S294-R297 PolarHBondContact O-NH1 2.85Å; D295-R297 PolarHBondContact O-N 3.2Å; R297-Q299 PolarHBondContact O-N 2.89Å; R297-I300 HydrophobicContact CB-CG1 4.32Å; R297-I300 WeakPolarHBondContact O-CB 3.33Å; R297-I300 WeakPolarHBondContact O-CD1 3.43Å; R297-I300 WeakPolarHBondContact O-CG1 3.4Å; R297-I300 PolarHBondContact O-N 3.12Å | ||
| 298 | P | 95.6 | Very high | 97.7 | Very high | 94 Ų | 94 | 48.5 Ų | 48.5 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.2 | 176.8 | -26.6 | 34.5 | 0 | 0 | 0 | 113.8 | F296 I300 | F296-P298 HydrophobicContact CE1-CG 4.14Å; P298-I300 PolarHBondContact O-N 3.23Å |
| 299 | Q | 97.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 48.1 Ų | 48.1 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.5 | -15.1 | 179.3 | -61.2 | 80.9 | 0.5 | 0 | 0 | 113.9 | L260 R297 T301 T302 A303 | L260-Q299 HydrophobicContact CD2-CB 4.32Å; R297-Q299 PolarHBondContact O-N 2.89Å; Q299-T301 VanDerWaalsContact C-N 3.31Å; Q299-T301 PolarHBondContact O-N 3.36Å; Q299-T302 PolarHBondContact O-N 2.89Å; Q299-A303 WeakPolarHBondContact O-CB 3.12Å; Q299-A303 PolarHBondContact O-N 3.08Å |
| 300 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.1 | -51.5 | -178.7 | -71.7 | 167.3 | 0 | 0 | 0 | 110.6 | L260 I262 F296 R297 P298 T302 A303 F304 L324 F326 I335 F337 | L260-I300 HydrophobicContact CD1-CG1 4.21Å; I262-I300 HydrophobicContact CD1-CD1 3.82Å; I262-I300 HydrophobicContact CD1-CG1 3.55Å; F296-I300 HydrophobicContact CD2-CD1 3.97Å; F296-I300 HydrophobicContact CE2-CD1 4.4Å; R297-I300 HydrophobicContact CB-CG1 4.32Å; R297-I300 WeakPolarHBondContact O-CB 3.33Å; R297-I300 WeakPolarHBondContact O-CD1 3.43Å; R297-I300 WeakPolarHBondContact O-CG1 3.4Å; R297-I300 PolarHBondContact O-N 3.12Å; P298-I300 PolarHBondContact O-N 3.23Å; I300-T302 PolarHBondContact O-N 2.9Å; I300-A303 PolarHBondContact O-N 3.23Å; I300-F304 HydrophobicContact CG2-CD2 3.78Å; I300-F304 HydrophobicContact CG2-CE2 3.95Å; I300-F304 WeakPolarHBondContact O-CD2 3.18Å; I300-F304 PolarHBondContact O-N 3.26Å; I300-L324 HydrophobicContact CG2-CD1 4.05Å; I300-F326 HydrophobicContact CG2-CZ 4.38Å; I300-I335 HydrophobicContact CG2-CD1 4.47Å; I300-F337 HydrophobicContact CD1-CE1 4.27Å; I300-F337 HydrophobicContact CD1-CZ 4.04Å |
| 301 | T | 97.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | -176.7 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | Q299 R305 L311 F326 | Q299-T301 VanDerWaalsContact C-N 3.31Å; Q299-T301 PolarHBondContact O-N 3.36Å; T301-R305 WeakPolarHBondContact O-CB 3.33Å; T301-R305 PolarHBondContact O-N 3.07Å; T301-R305 VanDerWaalsContact O-N 3.09Å; T301-L311 HydrophobicContact CG2-CB 4.31Å; T301-L311 HydrophobicContact CG2-CD1 4.44Å; T301-L311 HydrophobicContact CG2-CD2 3.9Å; T301-L311 HydrophobicContact CG2-CG 4.46Å; T301-F326 HydrophobicContact CG2-CE1 4.35Å |
| 302 | T | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 55.8 Ų | 55.8 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | Q299 I300 F304 R305 D306 | Q299-T302 PolarHBondContact O-N 2.89Å; I300-T302 PolarHBondContact O-N 2.9Å; T302-F304 PolarHBondContact O-N 3.38Å; T302-R305 WeakPolarHBondContact O-CB 3.4Å; T302-R305 PolarHBondContact O-N 3.16Å; T302-R305 VanDerWaalsContact O-N 3.17Å; T302-D306 WeakPolarHBondContact O-CB 3.41Å; T302-D306 PolarHBondContact O-N 3.42Å |
| 303 | A | 98.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | T256 L260 Q299 I300 A307 | T256-A303 HydrophobicContact CG2-CB 3.69Å; L260-A303 HydrophobicContact CD1-CB 3.86Å; L260-A303 HydrophobicContact CG-CB 4.43Å; Q299-A303 WeakPolarHBondContact O-CB 3.12Å; Q299-A303 PolarHBondContact O-N 3.08Å; I300-A303 PolarHBondContact O-N 3.23Å; A303-A307 VanDerWaalsContact O-CB 3.31Å; A303-A307 WeakPolarHBondContact O-CB 3.35Å; A303-A307 PolarHBondContact O-N 2.91Å |
| 304 | F | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 174.2 | -88.2 | -77.8 | 0 | 0 | 0 | 112.4 | A253 T256 L257 I300 T302 A307 G308 M309 F326 L333 I335 | A253-F304 HydrophobicContact CB-CE1 3.98Å; A253-F304 HydrophobicContact CB-CZ 4.05Å; T256-F304 HydrophobicContact CG2-CD1 4.22Å; T256-F304 HydrophobicContact CG2-CD2 3.99Å; T256-F304 HydrophobicContact CG2-CE1 4.39Å; T256-F304 HydrophobicContact CG2-CE2 4.15Å; T256-F304 HydrophobicContact CG2-CG 4.03Å; T256-F304 HydrophobicContact CG2-CZ 4.35Å; L257-F304 HydrophobicContact CD1-CZ 4.29Å; L257-F304 HydrophobicContact CD2-CE2 3.89Å; L257-F304 HydrophobicContact CD2-CZ 4.38Å; L257-F304 HydrophobicContact CG-CE2 4.06Å; L257-F304 HydrophobicContact CG-CZ 4.05Å; I300-F304 HydrophobicContact CG2-CD2 3.78Å; I300-F304 HydrophobicContact CG2-CE2 3.95Å; I300-F304 WeakPolarHBondContact O-CD2 3.18Å; I300-F304 PolarHBondContact O-N 3.26Å; T302-F304 PolarHBondContact O-N 3.38Å; F304-A307 CarbonylContact O-C 3.58Å; F304-A307 WeakPolarHBondContact O-CB 3.3Å; F304-A307 PolarHBondContact O-N 2.86Å; F304-G308 PolarHBondContact O-N 2.83Å; F304-M309 CarbonylContact C-O 3.55Å; F304-M309 HydrophobicContact CB-CB 4.44Å; F304-M309 HydrophobicContact CD1-CB 4.37Å; F304-M309 HydrophobicContact CD1-CE 4.17Å; F304-M309 HydrophobicContact CD1-CG 4.44Å; F304-M309 HydrophobicContact CD1-SD 3.55Å; F304-M309 VanDerWaalsContact CD1-SD 3.55Å; F304-M309 HydrophobicContact CE1-CE 4.37Å; F304-M309 HydrophobicContact CE1-SD 3.85Å; F304-M309 WeakPolarHBondContact O-CB 3.42Å; F304-M309 PolarHBondContact O-N 3.24Å; F304-F326 HydrophobicContact CB-CD1 3.68Å; F304-F326 HydrophobicContact CB-CE1 3.47Å; F304-F326 VanDerWaalsContact CB-CE1 3.47Å; F304-F326 HydrophobicContact CB-CG 4.3Å; F304-F326 HydrophobicContact CB-CZ 3.94Å; F304-F326 HydrophobicContact CD2-CE1 4.42Å; F304-F326 HydrophobicContact CD2-CE2 4.05Å; F304-F326 HydrophobicContact CD2-CZ 4.01Å; F304-F326 HydrophobicContact CG-CD1 4.21Å; F304-F326 HydrophobicContact CG-CD2 4.38Å; F304-F326 HydrophobicContact CG-CE1 4.1Å; F304-F326 HydrophobicContact CG-CE2 4.27Å; F304-F326 HydrophobicContact CG-CG 4.36Å; F304-F326 HydrophobicContact CG-CZ 4.13Å; F304-L333 HydrophobicContact CE1-CD2 3.61Å; F304-L333 HydrophobicContact CZ-CD2 3.9Å; F304-I335 HydrophobicContact CD2-CD1 4.42Å; F304-I335 HydrophobicContact CE2-CD1 3.67Å; F304-I335 HydrophobicContact CZ-CD1 3.92Å |
| 305 | R | 96.9 | Very high | 97.2 | Very high | 153 Ų | 153 | 54.1 Ų | 54.1 | 58% | 0.577 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 173.6 | -172.7 | -170.9 | -58.4 | 171.8 | 1.2 | 111.9 | T301 T302 A307 G308 M309 | T301-R305 WeakPolarHBondContact O-CB 3.33Å; T301-R305 PolarHBondContact O-N 3.07Å; T301-R305 VanDerWaalsContact O-N 3.09Å; T302-R305 WeakPolarHBondContact O-CB 3.4Å; T302-R305 PolarHBondContact O-N 3.16Å; T302-R305 VanDerWaalsContact O-N 3.17Å; R305-A307 PolarHBondContact O-N 2.77Å; R305-G308 WeakPolarHBondContact O-CA 3.4Å; R305-G308 PolarHBondContact O-N 3.09Å; R305-M309 VanDerWaalsContact CA-O 3.27Å; R305-M309 WeakPolarHBondContact CA-O 3.25Å; R305-M309 PolarHBondContact N-O 3.04Å |
| 306 | D | 97.3 | Very high | 97.2 | Very high | 128 Ų | 128 | 52.5 Ų | 52.5 | 68% | 0.684 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65 | -27 | 178 | -65.2 | -13.4 | 0 | 0 | 0 | 111.7 | T302 G308 | T302-D306 WeakPolarHBondContact O-CB 3.41Å; T302-D306 PolarHBondContact O-N 3.42Å; D306-G308 PolarHBondContact O-N 2.87Å |
| 307 | A | 96 | Very high | 97.1 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -0 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L252 T256 A303 F304 R305 | L252-A307 HydrophobicContact CD1-CB 3.95Å; L252-A307 HydrophobicContact CD2-CB 4.5Å; L252-A307 HydrophobicContact CG-CB 4.22Å; T256-A307 WeakPolarHBondContact OG1-CB 3.4Å; A303-A307 VanDerWaalsContact O-CB 3.31Å; A303-A307 WeakPolarHBondContact O-CB 3.35Å; A303-A307 PolarHBondContact O-N 2.91Å; F304-A307 CarbonylContact O-C 3.58Å; F304-A307 WeakPolarHBondContact O-CB 3.3Å; F304-A307 PolarHBondContact O-N 2.86Å; R305-A307 PolarHBondContact O-N 2.77Å |
| 308 | G | 95.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 67% | 0.67 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | 12.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F304 R305 D306 | F304-G308 PolarHBondContact O-N 2.83Å; R305-G308 WeakPolarHBondContact O-CA 3.4Å; R305-G308 PolarHBondContact O-N 3.09Å; D306-G308 PolarHBondContact O-N 2.87Å |
| 309 | M | 96.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | trans | -104.7 | 126.1 | 177 | -61.7 | -178.4 | 58 | 0 | 0 | 111.4 | L249 L252 F304 R305 F326 L327 L333 | L249-M309 HydrophobicContact CD1-CE 3.21Å; L249-M309 HydrophobicContact CD1-SD 3.78Å; L249-M309 HydrophobicContact CG-CE 4.46Å; L252-M309 HydrophobicContact CD2-CG 3.58Å; L252-M309 HydrophobicContact CD2-SD 3.55Å; L252-M309 VanDerWaalsContact CD2-SD 3.55Å; L252-M309 HydrophobicContact CG-SD 4.16Å; F304-M309 CarbonylContact C-O 3.55Å; F304-M309 HydrophobicContact CB-CB 4.44Å; F304-M309 HydrophobicContact CD1-CB 4.37Å; F304-M309 HydrophobicContact CD1-CE 4.17Å; F304-M309 HydrophobicContact CD1-CG 4.44Å; F304-M309 HydrophobicContact CD1-SD 3.55Å; F304-M309 VanDerWaalsContact CD1-SD 3.55Å; F304-M309 HydrophobicContact CE1-CE 4.37Å; F304-M309 HydrophobicContact CE1-SD 3.85Å; F304-M309 WeakPolarHBondContact O-CB 3.42Å; F304-M309 PolarHBondContact O-N 3.24Å; R305-M309 VanDerWaalsContact CA-O 3.27Å; R305-M309 WeakPolarHBondContact CA-O 3.25Å; R305-M309 PolarHBondContact N-O 3.04Å; M309-F326 HydrophobicContact CB-CB 4.23Å; M309-F326 HydrophobicContact CE-CB 3.52Å; M309-L327 WeakPolarHBondContact CA-O 3.23Å; M309-L333 HydrophobicContact CE-CB 3.85Å; M309-L333 HydrophobicContact CE-CD2 3.89Å | ||
| 310 | S | 95.4 | Very high | 97.1 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.5 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | K312 F326 L327 | S310-K312 PolarHBondContact O-N 3.37Å; S310-F326 CarbonylContact O-C 3.54Å; S310-F326 VanDerWaalsContact O-CA 3.22Å; S310-F326 WeakPolarHBondContact O-CA 3.31Å; S310-L327 PolarHBondContact N-O 3.25Å; S310-L327 PolarHBondContact O-N 3.36Å |
| 311 | L | 97.6 | Very high | 97.1 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.4 | 167.5 | -176.2 | 70.7 | 0 | 0 | 0 | 107.9 | T301 H313 Q314 L324 F326 Y429 | T301-L311 HydrophobicContact CG2-CB 4.31Å; T301-L311 HydrophobicContact CG2-CD1 4.44Å; T301-L311 HydrophobicContact CG2-CD2 3.9Å; T301-L311 HydrophobicContact CG2-CG 4.46Å; L311-H313 WeakPolarHBondContact CD1-O 3.47Å; L311-Q314 HydrophobicContact CD2-CB 4.35Å; L311-L324 HydrophobicContact CD1-CB 4.47Å; L311-L324 HydrophobicContact CD1-CD2 4.28Å; L311-F326 HydrophobicContact CB-CD1 4.28Å; L311-F326 HydrophobicContact CB-CE1 4.15Å; L311-F326 HydrophobicContact CD1-CD1 4.15Å; L311-F326 HydrophobicContact CD1-CE1 3.73Å; L311-F326 HydrophobicContact CD1-CE2 4.35Å; L311-F326 HydrophobicContact CD1-CZ 3.84Å; L311-Y429 HydrophobicContact CD2-CD2 3.96Å; L311-Y429 HydrophobicContact CD2-CE2 3.45Å; L311-Y429 VanDerWaalsContact CD2-CE2 3.45Å; L311-Y429 HydrophobicContact CG-CD2 4.03Å; L311-Y429 HydrophobicContact CG-CE2 4.02Å; L311-Y429 WeakPolarHBondContact O-CB 3.12Å |
| 312 | K | 96.9 | Very high | 97.1 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -43.2 | 179.9 | -174.6 | 173.6 | -177.3 | 169.3 | 0 | 111.3 | S310 S325 L327 Y429 | S310-K312 PolarHBondContact O-N 3.37Å; K312-S325 PolarHBondContact N-O 2.95Å; K312-L327 HydrophobicContact CD-CB 4.5Å; K312-Y429 PolarHBondContact O-N 3.18Å |
| 313 | H | 97.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.7 | 176.5 | -49 | 135.9 | 0 | 0 | 0 | 111.1 | L311 F315 S325 Q427 | L311-H313 WeakPolarHBondContact CD1-O 3.47Å; H313-F315 HydrophobicContact CB-CD1 4.49Å; H313-F315 HydrophobicContact CB-CD2 4.47Å; H313-F315 HydrophobicContact CB-CE1 3.99Å; H313-F315 HydrophobicContact CB-CE2 3.96Å; H313-F315 HydrophobicContact CB-CZ 3.7Å; H313-F315 AromaticContact CG-CZ 3.75Å; H313-S325 PolarHBondContact N-O 2.89Å; H313-S325 PolarHBondContact ND1-OG 3.05Å; H313-S325 PolarHBondContact O-N 3.37Å; H313-Q427 VanDerWaalsContact CA-O 3.3Å; H313-Q427 WeakPolarHBondContact CA-O 3.3Å |
| 314 | Q | 97.9 | Very high | 97.2 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 116.4 | 161.3 | 171.1 | 178.3 | -46.9 | 0 | 0 | 107.8 | L311 E323 L324 Q427 | L311-Q314 HydrophobicContact CD2-CB 4.35Å; Q314-E323 WeakPolarHBondContact CA-O 3.42Å; Q314-L324 HydrophobicContact CB-CD2 3.94Å; Q314-L324 HydrophobicContact CG-CD2 3.76Å; Q314-Q427 HydrophobicContact CB-CB 4.23Å; Q314-Q427 PolarHBondContact N-O 2.64Å; Q314-Q427 PolarHBondContact O-N 2.57Å |
| 315 | F | 98.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 146 | 178.3 | -57.3 | -33.6 | 0 | 0 | 0 | 111.6 | H313 L322 E323 T350 A352 L425 I426 V428 | H313-F315 HydrophobicContact CB-CD1 4.49Å; H313-F315 HydrophobicContact CB-CD2 4.47Å; H313-F315 HydrophobicContact CB-CE1 3.99Å; H313-F315 HydrophobicContact CB-CE2 3.96Å; H313-F315 HydrophobicContact CB-CZ 3.7Å; H313-F315 AromaticContact CG-CZ 3.75Å; F315-L322 CarbonylContact O-C 3.51Å; F315-L322 VanDerWaalsContact O-CA 3.28Å; F315-L322 WeakPolarHBondContact O-CA 3.17Å; F315-E323 HydrophobicContact CB-CB 4.28Å; F315-E323 PolarHBondContact N-O 2.88Å; F315-E323 PolarHBondContact O-N 2.86Å; F315-T350 HydrophobicContact CB-CG2 4.34Å; F315-T350 HydrophobicContact CG-CG2 4.44Å; F315-A352 HydrophobicContact CE1-CB 4.23Å; F315-A352 HydrophobicContact CZ-CB 4.09Å; F315-L425 CarbonylContact C-O 3.57Å; F315-L425 VanDerWaalsContact CA-O 3.25Å; F315-L425 WeakPolarHBondContact CA-O 3.4Å; F315-I426 HydrophobicContact CD1-CG2 4.09Å; F315-I426 HydrophobicContact CE1-CG2 3.9Å; F315-V428 HydrophobicContact CE1-CG2 4.07Å; F315-V428 HydrophobicContact CZ-CG2 4.34Å |
| 316 | G | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.5 | -158 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L425 | G316-L425 PolarHBondContact N-O 2.84Å |
| 317 | K | 96.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 27% | 0.265 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 164.9 | -176.5 | 56 | -172.5 | -170.3 | 154.7 | 0 | 110.6 | E319 D320 L322 Y339 W417 L425 | K317-E319 VanDerWaalsContact CD-CD 3.46Å; K317-E319 HydrophobicContact CD-CG 4.1Å; K317-E319 WeakPolarHBondContact CD-OE1 3.3Å; K317-E319 WeakPolarHBondContact CE-OE1 3.45Å; K317-E319 HydrophobicContact CG-CG 4.02Å; K317-E319 IonicContact NZ-OE1 2.58Å; K317-E319 PolarHBondContact NZ-OE1 3.44Å; K317-E319 PolarHBondContact O-N 3.09Å; K317-E319 VanDerWaalsContact O-N 3.11Å; K317-D320 HydrophobicContact CG-CB 4.19Å; K317-D320 PolarHBondContact N-O 2.88Å; K317-D320 CarbonylContact O-C 3.59Å; K317-D320 VanDerWaalsContact O-C 3.24Å; K317-D320 PolarHBondContact O-N 2.01Å; K317-L322 WeakPolarHBondContact O-CB 3.43Å; K317-Y339 PolarHBondContact O-OH 3.16Å; K317-W417 HydrophobicContact CG-CH2 4.38Å; K317-L425 HydrophobicContact CB-CD2 3.78Å; K317-L425 HydrophobicContact CD-CD2 3.82Å; K317-L425 HydrophobicContact CG-CD2 4.03Å |
| 318 | V | 97.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 33.5 Ų | 33.5 | 40% | 0.4 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -36.6 | -171.7 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | I293 F296 L322 Y339 | I293-V318 HydrophobicContact CD1-CG1 4.06Å; I293-V318 VanDerWaalsContact CD1-O 3.23Å; I293-V318 WeakPolarHBondContact CD1-O 3.45Å; I293-V318 HydrophobicContact CG1-CG1 4.23Å; I293-V318 WeakPolarHBondContact CG1-O 3.49Å; F296-V318 HydrophobicContact CD1-CG1 4.16Å; F296-V318 HydrophobicContact CD1-CG2 3.79Å; F296-V318 HydrophobicContact CE1-CG2 3.49Å; F296-V318 VanDerWaalsContact CE1-CG2 3.49Å; F296-V318 HydrophobicContact CZ-CG2 4.02Å; V318-L322 HydrophobicContact CG2-CD2 4.34Å; V318-Y339 VanDerWaalsContact O-CE1 3.29Å; V318-Y339 WeakPolarHBondContact O-CE1 3.45Å; V318-Y339 PolarHBondContact O-OH 2.93Å |
| 319 | E | 96.4 | Very high | 96.2 | Very high | 122 Ų | 122 | 35.2 Ų | 35.2 | 57% | 0.57 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.7 | 179.5 | 65.2 | -90.2 | -149.3 | 0 | 0 | 114.3 | K317 | K317-E319 VanDerWaalsContact CD-CD 3.46Å; K317-E319 HydrophobicContact CD-CG 4.1Å; K317-E319 WeakPolarHBondContact CD-OE1 3.3Å; K317-E319 WeakPolarHBondContact CE-OE1 3.45Å; K317-E319 HydrophobicContact CG-CG 4.02Å; K317-E319 IonicContact NZ-OE1 2.58Å; K317-E319 PolarHBondContact NZ-OE1 3.44Å; K317-E319 PolarHBondContact O-N 3.09Å; K317-E319 VanDerWaalsContact O-N 3.11Å |
| 320 | D | 97.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 111.6 | -171.4 | -174.2 | -3.2 | 0 | 0 | 0 | 113.3 | K317 L322 K357 W417 | K317-D320 HydrophobicContact CG-CB 4.19Å; K317-D320 PolarHBondContact N-O 2.88Å; K317-D320 CarbonylContact O-C 3.59Å; K317-D320 VanDerWaalsContact O-C 3.24Å; K317-D320 PolarHBondContact O-N 2.01Å; D320-L322 VanDerWaalsContact C-N 3.3Å; D320-L322 PolarHBondContact O-N 2.93Å; D320-K357 WeakPolarHBondContact OD1-CE 3.35Å; D320-K357 IonicContact OD1-NZ 3.54Å; D320-K357 PolarHBondContact OD1-NZ 3.45Å; D320-K357 IonicContact OD2-NZ 2.83Å; D320-K357 PolarHBondContact OD2-NZ 3.37Å; D320-W417 HydrophobicContact CB-CH2 3.83Å; D320-W417 VanDerWaalsContact CG-CH2 3.42Å; D320-W417 WeakPolarHBondContact O-CH2 3.37Å; D320-W417 VanDerWaalsContact OD2-CH2 3.32Å; D320-W417 WeakPolarHBondContact OD2-CH2 3.2Å |
| 321 | S | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.9 | 30.8 | 166.9 | -52.7 | 0 | 0 | 0 | 0 | 115.4 | E323 Y339 | S321-E323 PolarHBondContact O-N 3.42Å; S321-Y339 PolarHBondContact N-OH 2.82Å |
| 322 | L | 98.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 132.4 | 175.4 | -172.3 | 63.1 | 0 | 0 | 0 | 112.7 | I293 F296 F315 K317 V318 D320 L324 F337 Y339 | I293-L322 HydrophobicContact CD1-CB 4.48Å; I293-L322 HydrophobicContact CD1-CD2 4.09Å; F296-L322 HydrophobicContact CD2-CD2 3.8Å; F296-L322 HydrophobicContact CE2-CD2 3.77Å; F296-L322 HydrophobicContact CG-CD2 4.47Å; F296-L322 HydrophobicContact CZ-CD2 4.41Å; F315-L322 CarbonylContact O-C 3.51Å; F315-L322 VanDerWaalsContact O-CA 3.28Å; F315-L322 WeakPolarHBondContact O-CA 3.17Å; K317-L322 WeakPolarHBondContact O-CB 3.43Å; V318-L322 HydrophobicContact CG2-CD2 4.34Å; D320-L322 VanDerWaalsContact C-N 3.3Å; D320-L322 PolarHBondContact O-N 2.93Å; L322-L324 HydrophobicContact CD1-CD2 4.42Å; L322-F337 HydrophobicContact CB-CB 4.14Å; L322-F337 HydrophobicContact CB-CD2 3.88Å; L322-F337 HydrophobicContact CB-CG 4.16Å; L322-F337 HydrophobicContact CD2-CD1 4.35Å; L322-F337 HydrophobicContact CD2-CD2 3.66Å; L322-F337 HydrophobicContact CD2-CE1 4.41Å; L322-F337 HydrophobicContact CD2-CE2 3.73Å; L322-F337 HydrophobicContact CD2-CG 3.97Å; L322-F337 HydrophobicContact CD2-CZ 4.11Å; L322-F337 HydrophobicContact CG-CD2 3.56Å; L322-F337 HydrophobicContact CG-CE2 3.88Å; L322-F337 HydrophobicContact CG-CG 4.17Å; L322-F337 WeakPolarHBondContact O-CD2 3.49Å; L322-F337 PolarHBondContact O-N 3.1Å; L322-Y339 PolarHBondContact N-OH 3.3Å |
| 323 | E | 98.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 135.5 | 170.7 | -179.2 | -171.8 | 149.3 | 0 | 0 | 109.1 | Q314 F315 S321 S325 I335 F336 | Q314-E323 WeakPolarHBondContact CA-O 3.42Å; F315-E323 HydrophobicContact CB-CB 4.28Å; F315-E323 PolarHBondContact N-O 2.88Å; F315-E323 PolarHBondContact O-N 2.86Å; S321-E323 PolarHBondContact O-N 3.42Å; E323-S325 PolarHBondContact OE1-OG 2.97Å; E323-I335 WeakPolarHBondContact CA-O 3.4Å; E323-F336 HydrophobicContact CG-CD1 4Å; E323-F336 HydrophobicContact CG-CE1 3.92Å |
| 324 | L | 98.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.8 | 171.8 | -60 | 175.7 | 0 | 0 | 0 | 109.2 | I300 L311 Q314 L322 F326 I335 F337 | I300-L324 HydrophobicContact CG2-CD1 4.05Å; L311-L324 HydrophobicContact CD1-CB 4.47Å; L311-L324 HydrophobicContact CD1-CD2 4.28Å; Q314-L324 HydrophobicContact CB-CD2 3.94Å; Q314-L324 HydrophobicContact CG-CD2 3.76Å; L322-L324 HydrophobicContact CD1-CD2 4.42Å; L324-F326 HydrophobicContact CB-CD2 4.45Å; L324-F326 HydrophobicContact CB-CE2 3.66Å; L324-F326 HydrophobicContact CB-CZ 4.23Å; L324-F326 HydrophobicContact CD1-CE2 4.4Å; L324-F326 HydrophobicContact CD1-CZ 4.41Å; L324-I335 HydrophobicContact CB-CB 4.38Å; L324-I335 PolarHBondContact N-O 3.34Å; L324-I335 WeakPolarHBondContact O-CB 3.42Å; L324-I335 PolarHBondContact O-N 3.34Å; L324-F337 HydrophobicContact CB-CE2 4.49Å; L324-F337 HydrophobicContact CD1-CE2 3.91Å; L324-F337 HydrophobicContact CD1-CZ 4.08Å; L324-F337 HydrophobicContact CG-CE2 3.92Å |
| 325 | S | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.8 | 173.2 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | K312 H313 E323 L333 D334 | K312-S325 PolarHBondContact N-O 2.95Å; H313-S325 PolarHBondContact N-O 2.89Å; H313-S325 PolarHBondContact ND1-OG 3.05Å; H313-S325 PolarHBondContact O-N 3.37Å; E323-S325 PolarHBondContact OE1-OG 2.97Å; S325-L333 CarbonylContact C-O 3.54Å; S325-L333 WeakPolarHBondContact CA-O 3.41Å; S325-D334 VanDerWaalsContact CB-OD1 3.27Å; S325-D334 WeakPolarHBondContact CB-OD1 3.29Å; S325-D334 PolarHBondContact OG-OD1 2.76Å |
| 326 | F | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.2 | 175.2 | -61.5 | -93.4 | 0 | 0 | 0 | 111.2 | I300 T301 F304 M309 S310 L311 L324 K332 L333 I335 | I300-F326 HydrophobicContact CG2-CZ 4.38Å; T301-F326 HydrophobicContact CG2-CE1 4.35Å; F304-F326 HydrophobicContact CB-CD1 3.68Å; F304-F326 HydrophobicContact CB-CE1 3.47Å; F304-F326 VanDerWaalsContact CB-CE1 3.47Å; F304-F326 HydrophobicContact CB-CG 4.3Å; F304-F326 HydrophobicContact CB-CZ 3.94Å; F304-F326 HydrophobicContact CD2-CE1 4.42Å; F304-F326 HydrophobicContact CD2-CE2 4.05Å; F304-F326 HydrophobicContact CD2-CZ 4.01Å; F304-F326 HydrophobicContact CG-CD1 4.21Å; F304-F326 HydrophobicContact CG-CD2 4.38Å; F304-F326 HydrophobicContact CG-CE1 4.1Å; F304-F326 HydrophobicContact CG-CE2 4.27Å; F304-F326 HydrophobicContact CG-CG 4.36Å; F304-F326 HydrophobicContact CG-CZ 4.13Å; M309-F326 HydrophobicContact CB-CB 4.23Å; M309-F326 HydrophobicContact CE-CB 3.52Å; S310-F326 CarbonylContact O-C 3.54Å; S310-F326 VanDerWaalsContact O-CA 3.22Å; S310-F326 WeakPolarHBondContact O-CA 3.31Å; L311-F326 HydrophobicContact CB-CD1 4.28Å; L311-F326 HydrophobicContact CB-CE1 4.15Å; L311-F326 HydrophobicContact CD1-CD1 4.15Å; L311-F326 HydrophobicContact CD1-CE1 3.73Å; L311-F326 HydrophobicContact CD1-CE2 4.35Å; L311-F326 HydrophobicContact CD1-CZ 3.84Å; L324-F326 HydrophobicContact CB-CD2 4.45Å; L324-F326 HydrophobicContact CB-CE2 3.66Å; L324-F326 HydrophobicContact CB-CZ 4.23Å; L324-F326 HydrophobicContact CD1-CE2 4.4Å; L324-F326 HydrophobicContact CD1-CZ 4.41Å; F326-K332 CarbonylContact O-C 3.55Å; F326-K332 WeakPolarHBondContact O-CA 3.08Å; F326-L333 PolarHBondContact N-O 2.79Å; F326-L333 PolarHBondContact O-N 3.1Å; F326-I335 HydrophobicContact CD2-CD1 4.08Å; F326-I335 HydrophobicContact CD2-CG1 4.38Å; F326-I335 HydrophobicContact CE2-CD1 3.77Å; F326-I335 HydrophobicContact CE2-CG1 4.36Å |
| 327 | L | 96 | Very high | 95.9 | Very high | 49 Ų | 49 | 33 Ų | 33 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.2 | 177.4 | -170.6 | 68.1 | 0 | 0 | 0 | 110.7 | M309 S310 K312 | M309-L327 WeakPolarHBondContact CA-O 3.23Å; S310-L327 PolarHBondContact N-O 3.25Å; S310-L327 PolarHBondContact O-N 3.36Å; K312-L327 HydrophobicContact CD-CB 4.5Å |
| 328 | G | 89.8 | Confident | 96 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 127.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D330 V331 | G328-D330 PolarHBondContact O-N 3.06Å; G328-V331 PolarHBondContact N-O 2.92Å; G328-V331 PolarHBondContact O-N 3.37Å; G328-V331 VanDerWaalsContact O-O 3.13Å |
| 329 | E | 80.9 | Confident | 96.1 | Very high | 101 Ų | 101 | 27.8 Ų | 27.8 | 47% | 0.472 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 39.8 | -176.4 | -63.8 | -174.2 | -161.7 | 0 | 0 | 113.7 | R244 K245 V331 | R244-E329 IonicContact CZ-OE2 3.97Å; R244-E329 IonicContact NH1-OE2 3.1Å; R244-E329 PolarHBondContact NH1-OE2 3.33Å; R244-E329 IonicContact NH2-OE2 2.71Å; R244-E329 PolarHBondContact NH2-OE2 3.04Å; K245-E329 VanDerWaalsContact CD-O 3.3Å; K245-E329 WeakPolarHBondContact CD-O 3.47Å; K245-E329 VanDerWaalsContact CE-O 3.27Å; K245-E329 WeakPolarHBondContact CE-O 3.5Å; K245-E329 PolarHBondContact NZ-O 3.37Å; E329-V331 VanDerWaalsContact C-N 3.29Å; E329-V331 PolarHBondContact O-N 2.71Å |
| 330 | D | 87.6 | Confident | 96.1 | Very high | 134 Ų | 134 | 29.1 Ų | 29.1 | 72% | 0.717 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 3.6 | -177.4 | -42.4 | -51.1 | 0 | 0 | 0 | 117.1 | K245 G328 | K245-D330 IonicContact NZ-OD2 2.75Å; K245-D330 PolarHBondContact NZ-OD2 3.25Å; G328-D330 PolarHBondContact O-N 3.06Å |
| 331 | V | 94.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.1 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | F242 K245 L249 V287 G328 E329 | F242-V331 HydrophobicContact CD2-CG1 4.49Å; F242-V331 HydrophobicContact CD2-CG2 4.1Å; F242-V331 HydrophobicContact CE2-CG1 3.91Å; F242-V331 HydrophobicContact CE2-CG2 4.32Å; K245-V331 HydrophobicContact CB-CG2 3.61Å; K245-V331 HydrophobicContact CD-CG2 3.88Å; K245-V331 HydrophobicContact CG-CG2 4.39Å; L249-V331 HydrophobicContact CD2-CB 4.02Å; L249-V331 HydrophobicContact CD2-CG1 3.58Å; V287-V331 HydrophobicContact CG2-CG1 4.38Å; G328-V331 PolarHBondContact N-O 2.92Å; G328-V331 PolarHBondContact O-N 3.37Å; G328-V331 VanDerWaalsContact O-O 3.13Å; E329-V331 VanDerWaalsContact C-N 3.29Å; E329-V331 PolarHBondContact O-N 2.71Å |
| 332 | K | 96.6 | Very high | 96 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.2 | 178.4 | -169.5 | -179.5 | 59.5 | 136.1 | 0 | 109.8 | D286 V287 F326 D334 | D286-K332 WeakPolarHBondContact CA-O 3.36Å; D286-K332 HydrophobicContact CB-CB 4.28Å; D286-K332 WeakPolarHBondContact CB-O 3.43Å; V287-K332 PolarHBondContact N-O 2.87Å; F326-K332 CarbonylContact O-C 3.55Å; F326-K332 WeakPolarHBondContact O-CA 3.08Å; K332-D334 VanDerWaalsContact CD-OD1 3.28Å; K332-D334 WeakPolarHBondContact CD-OD1 3.48Å; K332-D334 WeakPolarHBondContact CE-OD1 3.36Å; K332-D334 WeakPolarHBondContact CE-OD2 3.3Å; K332-D334 IonicContact NZ-OD1 2.65Å; K332-D334 PolarHBondContact NZ-OD1 2.85Å; K332-D334 IonicContact NZ-OD2 3.04Å; K332-D334 PolarHBondContact NZ-OD2 2.86Å |
| 333 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 117.6 | 165 | 176.3 | 68.2 | 0 | 0 | 0 | 108 | L249 A253 V287 I289 F304 M309 S325 F326 I335 | L249-L333 HydrophobicContact CD1-CB 4.12Å; L249-L333 HydrophobicContact CD2-CB 3.99Å; L249-L333 HydrophobicContact CG-CB 4.16Å; A253-L333 HydrophobicContact CB-CD2 3.77Å; V287-L333 HydrophobicContact CB-CD1 4.15Å; V287-L333 HydrophobicContact CG1-CD1 3.87Å; V287-L333 CarbonylContact O-C 3.52Å; V287-L333 VanDerWaalsContact O-CA 3.31Å; V287-L333 WeakPolarHBondContact O-CA 3.25Å; I289-L333 HydrophobicContact CD1-CD1 4.24Å; I289-L333 HydrophobicContact CD1-CD2 4.4Å; I289-L333 HydrophobicContact CG1-CD1 4.07Å; I289-L333 HydrophobicContact CG2-CD1 4.15Å; F304-L333 HydrophobicContact CE1-CD2 3.61Å; F304-L333 HydrophobicContact CZ-CD2 3.9Å; M309-L333 HydrophobicContact CE-CB 3.85Å; M309-L333 HydrophobicContact CE-CD2 3.89Å; S325-L333 CarbonylContact C-O 3.54Å; S325-L333 WeakPolarHBondContact CA-O 3.41Å; F326-L333 PolarHBondContact N-O 2.79Å; F326-L333 PolarHBondContact O-N 3.1Å; L333-I335 HydrophobicContact CD2-CD1 4.43Å; L333-I335 HydrophobicContact CD2-CG1 4.37Å; L333-I335 HydrophobicContact CG-CG1 4.29Å |
| 334 | D | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.6 | 171.1 | -66.1 | -38 | 0 | 0 | 0 | 110.3 | V287 I289 S325 K332 F336 | V287-D334 PolarHBondContact O-N 2.99Å; I289-D334 PolarHBondContact N-O 2.83Å; S325-D334 VanDerWaalsContact CB-OD1 3.27Å; S325-D334 WeakPolarHBondContact CB-OD1 3.29Å; S325-D334 PolarHBondContact OG-OD1 2.76Å; K332-D334 VanDerWaalsContact CD-OD1 3.28Å; K332-D334 WeakPolarHBondContact CD-OD1 3.48Å; K332-D334 WeakPolarHBondContact CE-OD1 3.36Å; K332-D334 WeakPolarHBondContact CE-OD2 3.3Å; K332-D334 IonicContact NZ-OD1 2.65Å; K332-D334 PolarHBondContact NZ-OD1 2.85Å; K332-D334 IonicContact NZ-OD2 3.04Å; K332-D334 PolarHBondContact NZ-OD2 2.86Å; D334-F336 HydrophobicContact CB-CD2 4.33Å; D334-F336 HydrophobicContact CB-CE2 3.61Å; D334-F336 HydrophobicContact CB-CZ 3.81Å |
| 335 | I | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106.8 | 173 | -49.9 | -170 | 0 | 0 | 0 | 107.9 | I289 I291 I300 F304 E323 L324 F326 L333 F337 | I289-I335 HydrophobicContact CD1-CD1 4.02Å; I289-I335 HydrophobicContact CD1-CG1 3.86Å; I289-I335 HydrophobicContact CG1-CB 4.24Å; I289-I335 HydrophobicContact CG1-CD1 4.5Å; I289-I335 HydrophobicContact CG1-CG1 3.79Å; I289-I335 HydrophobicContact CG1-CG2 4.26Å; I291-I335 HydrophobicContact CB-CG2 4.4Å; I291-I335 HydrophobicContact CD1-CG2 3.52Å; I291-I335 HydrophobicContact CG1-CG2 3.86Å; I300-I335 HydrophobicContact CG2-CD1 4.47Å; F304-I335 HydrophobicContact CD2-CD1 4.42Å; F304-I335 HydrophobicContact CE2-CD1 3.67Å; F304-I335 HydrophobicContact CZ-CD1 3.92Å; E323-I335 WeakPolarHBondContact CA-O 3.4Å; L324-I335 HydrophobicContact CB-CB 4.38Å; L324-I335 PolarHBondContact N-O 3.34Å; L324-I335 WeakPolarHBondContact O-CB 3.42Å; L324-I335 PolarHBondContact O-N 3.34Å; F326-I335 HydrophobicContact CD2-CD1 4.08Å; F326-I335 HydrophobicContact CD2-CG1 4.38Å; F326-I335 HydrophobicContact CE2-CD1 3.77Å; F326-I335 HydrophobicContact CE2-CG1 4.36Å; L333-I335 HydrophobicContact CD2-CD1 4.43Å; L333-I335 HydrophobicContact CD2-CG1 4.37Å; L333-I335 HydrophobicContact CG-CG1 4.29Å; I335-F337 HydrophobicContact CG2-CD2 4.46Å; I335-F337 HydrophobicContact CG2-CE2 3.86Å; I335-F337 HydrophobicContact CG2-CZ 4.02Å |
| 336 | F | 98.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 11% | 0.114 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.1 | 173.4 | -61.4 | -75.7 | 0 | 0 | 0 | 110.1 | D288 I289 G290 I291 E323 D334 F338 N347 | D288-F336 HydrophobicContact CB-CE2 4.24Å; D288-F336 WeakPolarHBondContact OD1-CE2 3.36Å; I289-F336 PolarHBondContact O-N 2.86Å; G290-F336 WeakPolarHBondContact CA-O 3.46Å; I291-F336 PolarHBondContact N-O 3.21Å; E323-F336 HydrophobicContact CG-CD1 4Å; E323-F336 HydrophobicContact CG-CE1 3.92Å; D334-F336 HydrophobicContact CB-CD2 4.33Å; D334-F336 HydrophobicContact CB-CE2 3.61Å; D334-F336 HydrophobicContact CB-CZ 3.81Å; F336-F338 HydrophobicContact CB-CD2 4.45Å; F336-F338 HydrophobicContact CB-CE2 3.82Å; F336-F338 WeakPolarHBondContact O-CD2 3.31Å; F336-N347 HydrophobicContact CB-CB 4.31Å |
| 337 | F | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.8 | 174.7 | -69.8 | -93.1 | 0 | 0 | 0 | 111.2 | I291 I293 F296 I300 L322 L324 I335 Y339 N347 | I291-F337 HydrophobicContact CB-CD1 4.12Å; I291-F337 HydrophobicContact CB-CE1 3.99Å; I291-F337 HydrophobicContact CG2-CD1 4.16Å; I291-F337 HydrophobicContact CG2-CE1 3.87Å; I291-F337 CarbonylContact O-C 3.56Å; I291-F337 VanDerWaalsContact O-CA 3.32Å; I291-F337 WeakPolarHBondContact O-CA 3.16Å; I293-F337 HydrophobicContact CD1-CB 3.86Å; I293-F337 HydrophobicContact CD1-CD1 3.77Å; I293-F337 HydrophobicContact CD1-CG 3.96Å; F296-F337 HydrophobicContact CB-CD1 4.38Å; F296-F337 HydrophobicContact CB-CE1 4.01Å; F296-F337 HydrophobicContact CD2-CD1 4.43Å; F296-F337 AromaticContact CD2-CE1 3.61Å; F296-F337 HydrophobicContact CD2-CE1 3.61Å; F296-F337 AromaticContact CD2-CZ 3.7Å; F296-F337 HydrophobicContact CD2-CZ 3.7Å; F296-F337 HydrophobicContact CE2-CZ 4.31Å; F296-F337 HydrophobicContact CG-CE1 4.28Å; I300-F337 HydrophobicContact CD1-CE1 4.27Å; I300-F337 HydrophobicContact CD1-CZ 4.04Å; L322-F337 HydrophobicContact CB-CB 4.14Å; L322-F337 HydrophobicContact CB-CD2 3.88Å; L322-F337 HydrophobicContact CB-CG 4.16Å; L322-F337 HydrophobicContact CD2-CD1 4.35Å; L322-F337 HydrophobicContact CD2-CD2 3.66Å; L322-F337 HydrophobicContact CD2-CE1 4.41Å; L322-F337 HydrophobicContact CD2-CE2 3.73Å; L322-F337 HydrophobicContact CD2-CG 3.97Å; L322-F337 HydrophobicContact CD2-CZ 4.11Å; L322-F337 HydrophobicContact CG-CD2 3.56Å; L322-F337 HydrophobicContact CG-CE2 3.88Å; L322-F337 HydrophobicContact CG-CG 4.17Å; L322-F337 WeakPolarHBondContact O-CD2 3.49Å; L322-F337 PolarHBondContact O-N 3.1Å; L324-F337 HydrophobicContact CB-CE2 4.49Å; L324-F337 HydrophobicContact CD1-CE2 3.91Å; L324-F337 HydrophobicContact CD1-CZ 4.08Å; L324-F337 HydrophobicContact CG-CE2 3.92Å; I335-F337 HydrophobicContact CG2-CD2 4.46Å; I335-F337 HydrophobicContact CG2-CE2 3.86Å; I335-F337 HydrophobicContact CG2-CZ 4.02Å; F337-Y339 HydrophobicContact CB-CE2 4.26Å; F337-Y339 WeakPolarHBondContact O-CD2 3.27Å; F337-Y339 VanDerWaalsContact O-CE2 3.27Å; F337-Y339 WeakPolarHBondContact O-CE2 3.1Å; F337-N347 VanDerWaalsContact O-CB 3.3Å; F337-N347 WeakPolarHBondContact O-CB 3.47Å |
| 338 | F | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.8 | -176.5 | -72.1 | -109.7 | 0 | 0 | 0 | 111.4 | W265 I291 F292 I293 F336 V345 W346 N347 F362 Y386 | W265-F338 HydrophobicContact CH2-CB 3.88Å; W265-F338 AromaticContact CH2-CD2 3.69Å; W265-F338 HydrophobicContact CH2-CD2 3.69Å; W265-F338 HydrophobicContact CH2-CE2 4.38Å; W265-F338 AromaticContact CH2-CG 3.84Å; W265-F338 HydrophobicContact CH2-CG 3.84Å; W265-F338 HydrophobicContact CZ2-CB 4.05Å; W265-F338 AromaticContact CZ2-CD1 3.96Å; W265-F338 HydrophobicContact CZ2-CD1 3.96Å; W265-F338 AromaticContact CZ2-CD2 3.27Å; W265-F338 HydrophobicContact CZ2-CD2 3.27Å; W265-F338 HydrophobicContact CZ2-CE1 4.2Å; W265-F338 AromaticContact CZ2-CE2 3.57Å; W265-F338 HydrophobicContact CZ2-CE2 3.57Å; W265-F338 AromaticContact CZ2-CG 3.49Å; W265-F338 HydrophobicContact CZ2-CG 3.49Å; W265-F338 VanDerWaalsContact CZ2-CG 3.49Å; W265-F338 HydrophobicContact CZ2-CZ 4.03Å; I291-F338 PolarHBondContact O-N 2.9Å; F292-F338 HydrophobicContact CD1-CB 4.1Å; F292-F338 HydrophobicContact CE1-CB 4.39Å; I293-F338 PolarHBondContact N-O 3.39Å; F336-F338 HydrophobicContact CB-CD2 4.45Å; F336-F338 HydrophobicContact CB-CE2 3.82Å; F336-F338 WeakPolarHBondContact O-CD2 3.31Å; F338-V345 HydrophobicContact CB-CG1 3.78Å; F338-V345 HydrophobicContact CD1-CG1 3.8Å; F338-V345 HydrophobicContact CG-CG1 4.28Å; F338-W346 CarbonylContact C-O 3.57Å; F338-W346 VanDerWaalsContact CA-O 3.27Å; F338-W346 WeakPolarHBondContact CA-O 3.27Å; F338-N347 HydrophobicContact CD1-CB 3.98Å; F338-N347 HydrophobicContact CD2-CB 4.05Å; F338-N347 HydrophobicContact CE1-CB 3.97Å; F338-N347 HydrophobicContact CE2-CB 4.03Å; F338-N347 HydrophobicContact CG-CB 4.03Å; F338-N347 HydrophobicContact CZ-CB 3.98Å; F338-F362 AromaticContact CE1-CD2 3.96Å; F338-F362 HydrophobicContact CE1-CD2 3.96Å; F338-F362 AromaticContact CE1-CE2 3.75Å; F338-F362 HydrophobicContact CE1-CE2 3.75Å; F338-F362 HydrophobicContact CE1-CZ 4.3Å; F338-Y386 HydrophobicContact CE1-CE2 4.23Å; F338-Y386 WeakPolarHBondContact CZ-OH 3.28Å |
| 339 | Y | 98.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 7% | 0.071 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.4 | -174.7 | -58.6 | -104.3 | 0 | 0 | 0 | 108.3 | I293 K317 V318 S321 L322 F337 V345 W346 | I293-Y339 HydrophobicContact CB-CD1 4.12Å; I293-Y339 HydrophobicContact CB-CE1 3.95Å; I293-Y339 HydrophobicContact CD1-CE1 4.27Å; I293-Y339 HydrophobicContact CG1-CD1 4.29Å; I293-Y339 HydrophobicContact CG1-CE1 3.67Å; I293-Y339 HydrophobicContact CG2-CD1 3.64Å; I293-Y339 HydrophobicContact CG2-CE1 3.93Å; I293-Y339 HydrophobicContact CG2-CG 4.11Å; K317-Y339 PolarHBondContact O-OH 3.16Å; V318-Y339 VanDerWaalsContact O-CE1 3.29Å; V318-Y339 WeakPolarHBondContact O-CE1 3.45Å; V318-Y339 PolarHBondContact O-OH 2.93Å; S321-Y339 PolarHBondContact N-OH 2.82Å; L322-Y339 PolarHBondContact N-OH 3.3Å; F337-Y339 HydrophobicContact CB-CE2 4.26Å; F337-Y339 WeakPolarHBondContact O-CD2 3.27Å; F337-Y339 VanDerWaalsContact O-CE2 3.27Å; F337-Y339 WeakPolarHBondContact O-CE2 3.1Å; Y339-V345 CarbonylContact O-C 3.55Å; Y339-V345 WeakPolarHBondContact O-CA 3.21Å; Y339-W346 VanDerWaalsContact CB-CE2 3.46Å; Y339-W346 HydrophobicContact CD1-CH2 4.39Å; Y339-W346 HydrophobicContact CD1-CZ2 4.1Å; Y339-W346 HydrophobicContact CD2-CD2 4.17Å; Y339-W346 HydrophobicContact CD2-CE3 4.06Å; Y339-W346 AromaticContact CD2-CH2 3.82Å; Y339-W346 HydrophobicContact CD2-CH2 3.82Å; Y339-W346 AromaticContact CD2-CZ2 3.95Å; Y339-W346 HydrophobicContact CD2-CZ2 3.95Å; Y339-W346 AromaticContact CD2-CZ3 3.89Å; Y339-W346 HydrophobicContact CD2-CZ3 3.89Å; Y339-W346 HydrophobicContact CE2-CH2 4.18Å; Y339-W346 HydrophobicContact CE2-CZ3 4.23Å; Y339-W346 HydrophobicContact CG-CD2 4.34Å; Y339-W346 AromaticContact CG-CE2 3.86Å; Y339-W346 AromaticContact CG-CH2 3.99Å; Y339-W346 HydrophobicContact CG-CH2 3.99Å; Y339-W346 AromaticContact CG-CZ2 3.67Å; Y339-W346 HydrophobicContact CG-CZ2 3.67Å; Y339-W346 HydrophobicContact CG-CZ3 4.46Å; Y339-W346 PolarHBondContact N-O 3.48Å; Y339-W346 PolarHBondContact O-N 2.89Å |
| 340 | R | 97.9 | Very high | 96.9 | Very high | 150 Ų | 150 | 35.9 Ų | 35.9 | 57% | 0.566 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 132.8 | 171.7 | -67 | -179.3 | 179.4 | -91.1 | -3.1 | 108.8 | F292 V345 | F292-R340 HydrophobicContact CE1-CG 4.42Å; R340-V345 HydrophobicContact CG-CG2 4.43Å |
| 341 | D | 96.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 31.7 Ų | 31.7 | 44% | 0.439 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 93.3 | -178.7 | -174.4 | 11.3 | 0 | 0 | 0 | 108.1 | D343 V344 K359 | D341-D343 PolarHBondContact O-N 2.82Å; D341-V344 HydrophobicContact CB-CG2 4.22Å; D341-V344 PolarHBondContact N-O 3.49Å; D341-V344 WeakPolarHBondContact O-CG2 3.2Å; D341-V344 PolarHBondContact O-N 2.95Å; D341-V344 VanDerWaalsContact O-N 3.11Å; D341-K359 IonicContact OD2-NZ 2.99Å; D341-K359 PolarHBondContact OD2-NZ 3.32Å |
| 342 | G | 94.6 | Very high | 97.4 | Very high | 79 Ų | 79 | 33 Ų | 33 | 81% | 0.814 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -120.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 343 | D | 93.9 | Very high | 97.3 | Very high | 130 Ų | 130 | 40.2 Ų | 40.2 | 70% | 0.695 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.2 | 179.7 | 65.2 | -29.5 | 0 | 0 | 0 | 113.7 | D341 S364 | D341-D343 PolarHBondContact O-N 2.82Å; D343-S364 VanDerWaalsContact C-OG 3.25Å; D343-S364 WeakPolarHBondContact O-CB 3.31Å; D343-S364 PolarHBondContact O-N 3.43Å; D343-S364 PolarHBondContact O-OG 3.23Å |
| 344 | V | 97.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 42 Ų | 42 | 22% | 0.224 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 160.6 | 177.5 | -60 | 0 | 0 | 0 | 0 | 112.3 | D341 V361 F362 | D341-V344 HydrophobicContact CB-CG2 4.22Å; D341-V344 PolarHBondContact N-O 3.49Å; D341-V344 WeakPolarHBondContact O-CG2 3.2Å; D341-V344 PolarHBondContact O-N 2.95Å; D341-V344 VanDerWaalsContact O-N 3.11Å; V344-V361 HydrophobicContact CB-CG1 3.84Å; V344-V361 HydrophobicContact CG1-CG1 3.98Å; V344-V361 HydrophobicContact CG2-CG1 4.03Å; V344-F362 WeakPolarHBondContact CA-O 3.36Å; V344-F362 WeakPolarHBondContact CB-O 2.94Å |
| 345 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 141.5 | 169.7 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | F292 F338 Y339 R340 F362 F365 | F292-V345 HydrophobicContact CE1-CG1 3.95Å; F338-V345 HydrophobicContact CB-CG1 3.78Å; F338-V345 HydrophobicContact CD1-CG1 3.8Å; F338-V345 HydrophobicContact CG-CG1 4.28Å; Y339-V345 CarbonylContact O-C 3.55Å; Y339-V345 WeakPolarHBondContact O-CA 3.21Å; R340-V345 HydrophobicContact CG-CG2 4.43Å; V345-F362 PolarHBondContact N-O 2.91Å; V345-F362 WeakPolarHBondContact O-CA 3.09Å; V345-F362 PolarHBondContact O-N 3.27Å; V345-F365 HydrophobicContact CB-CE1 4.05Å; V345-F365 HydrophobicContact CG1-CE1 4.08Å; V345-F365 HydrophobicContact CG1-CZ 4.28Å; V345-F365 HydrophobicContact CG2-CE1 4.27Å |
| 346 | W | 98.3 | Very high | 97 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152.9 | 177.7 | 66.3 | -90 | 0 | 0 | 0 | 112.9 | F338 Y339 K359 Y360 V361 | F338-W346 CarbonylContact C-O 3.57Å; F338-W346 VanDerWaalsContact CA-O 3.27Å; F338-W346 WeakPolarHBondContact CA-O 3.27Å; Y339-W346 VanDerWaalsContact CB-CE2 3.46Å; Y339-W346 HydrophobicContact CD1-CH2 4.39Å; Y339-W346 HydrophobicContact CD1-CZ2 4.1Å; Y339-W346 HydrophobicContact CD2-CD2 4.17Å; Y339-W346 HydrophobicContact CD2-CE3 4.06Å; Y339-W346 AromaticContact CD2-CH2 3.82Å; Y339-W346 HydrophobicContact CD2-CH2 3.82Å; Y339-W346 AromaticContact CD2-CZ2 3.95Å; Y339-W346 HydrophobicContact CD2-CZ2 3.95Å; Y339-W346 AromaticContact CD2-CZ3 3.89Å; Y339-W346 HydrophobicContact CD2-CZ3 3.89Å; Y339-W346 HydrophobicContact CE2-CH2 4.18Å; Y339-W346 HydrophobicContact CE2-CZ3 4.23Å; Y339-W346 HydrophobicContact CG-CD2 4.34Å; Y339-W346 AromaticContact CG-CE2 3.86Å; Y339-W346 AromaticContact CG-CH2 3.99Å; Y339-W346 HydrophobicContact CG-CH2 3.99Å; Y339-W346 AromaticContact CG-CZ2 3.67Å; Y339-W346 HydrophobicContact CG-CZ2 3.67Å; Y339-W346 HydrophobicContact CG-CZ3 4.46Å; Y339-W346 PolarHBondContact N-O 3.48Å; Y339-W346 PolarHBondContact O-N 2.89Å; W346-K359 HydrophobicContact CB-CD 4.45Å; W346-K359 HydrophobicContact CB-CG 4Å; W346-K359 VanDerWaalsContact CD1-CE 3.41Å; W346-K359 HydrophobicContact CD2-CD 4.08Å; W346-K359 HydrophobicContact CD2-CG 4.02Å; W346-K359 HydrophobicContact CE3-CD 4.16Å; W346-K359 HydrophobicContact CE3-CG 3.75Å; W346-K359 HydrophobicContact CG-CD 4.21Å; W346-K359 HydrophobicContact CG-CG 4.15Å; W346-Y360 WeakPolarHBondContact CA-O 3.45Å; W346-Y360 WeakPolarHBondContact CB-O 3.38Å; W346-V361 HydrophobicContact CB-CG2 4.48Å |
| 347 | N | 98.5 | Very high | 97 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 157 | 164.5 | 75.3 | -81.9 | 0 | 0 | 0 | 110.3 | F336 F337 F338 Y360 F362 | F336-N347 HydrophobicContact CB-CB 4.31Å; F337-N347 VanDerWaalsContact O-CB 3.3Å; F337-N347 WeakPolarHBondContact O-CB 3.47Å; F338-N347 HydrophobicContact CD1-CB 3.98Å; F338-N347 HydrophobicContact CD2-CB 4.05Å; F338-N347 HydrophobicContact CE1-CB 3.97Å; F338-N347 HydrophobicContact CE2-CB 4.03Å; F338-N347 HydrophobicContact CG-CB 4.03Å; F338-N347 HydrophobicContact CZ-CB 3.98Å; N347-Y360 PolarHBondContact N-O 2.78Å; N347-Y360 VanDerWaalsContact N-O 3.16Å; N347-Y360 PolarHBondContact O-N 3.49Å; N347-Y360 WeakPolarHBondContact OD1-CB 3.36Å; N347-F362 VanDerWaalsContact OD1-CE2 3.31Å; N347-F362 WeakPolarHBondContact OD1-CE2 3.46Å |
| 348 | G | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 164.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F358 | G348-F358 CarbonylContact C-O 2.81Å; G348-F358 VanDerWaalsContact CA-O 3.29Å; G348-F358 WeakPolarHBondContact CA-O 3.27Å |
| 349 | G | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | K357 F358 | G349-K357 CarbonylContact O-C 3.43Å; G349-K357 WeakPolarHBondContact O-CA 3.4Å; G349-F358 PolarHBondContact N-O 3.38Å; G349-F358 PolarHBondContact O-N 3.22Å |
| 350 | T | 97.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.7 | -178.1 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | F315 A352 W417 I426 | F315-T350 HydrophobicContact CB-CG2 4.34Å; F315-T350 HydrophobicContact CG-CG2 4.44Å; T350-A352 PolarHBondContact O-N 3.43Å; T350-W417 PolarHBondContact OG1-NE1 2.69Å; T350-W417 VanDerWaalsContact OG1-NE1 3.07Å; T350-I426 HydrophobicContact CG2-CD1 4.12Å; T350-I426 HydrophobicContact CG2-CG1 4.04Å |
| 351 | Q | 96.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 100.5 | 170.8 | -179.1 | 175 | 31.2 | 0 | 0 | 110 | K353 S354 G355 R356 F358 W404 K405 | Q351-K353 VanDerWaalsContact C-N 3.27Å; Q351-K353 PolarHBondContact O-N 3.29Å; Q351-K353 VanDerWaalsContact O-N 3.09Å; Q351-S354 VanDerWaalsContact CG-OG 3.25Å; Q351-S354 WeakPolarHBondContact CG-OG 3.3Å; Q351-S354 PolarHBondContact O-N 2.86Å; Q351-S354 VanDerWaalsContact O-N 3.1Å; Q351-S354 PolarHBondContact OE1-OG 3.09Å; Q351-G355 PolarHBondContact O-N 2.6Å; Q351-R356 HydrophobicContact CB-CB 4.25Å; Q351-R356 PolarHBondContact N-O 2.88Å; Q351-F358 HydrophobicContact CB-CE2 4.14Å; Q351-W404 HydrophobicContact CB-CH2 4.17Å; Q351-W404 HydrophobicContact CB-CZ2 4.47Å; Q351-K405 HydrophobicContact CB-CD 4.38Å; Q351-K405 VanDerWaalsContact CD-NZ 3.29Å |
| 352 | A | 94.5 | Very high | 97 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -40.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F315 T350 S354 I426 | F315-A352 HydrophobicContact CE1-CB 4.23Å; F315-A352 HydrophobicContact CZ-CB 4.09Å; T350-A352 PolarHBondContact O-N 3.43Å; A352-S354 PolarHBondContact O-N 3.34Å; A352-I426 HydrophobicContact CB-CG2 3.67Å |
| 353 | K | 94.4 | Very high | 97.1 | Very high | 198 Ų | 198 | 37.2 Ų | 37.2 | 86% | 0.861 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.1 | -176.5 | -68.4 | -171.9 | 177.6 | -176.7 | 0 | 114.8 | Q351 | Q351-K353 VanDerWaalsContact C-N 3.27Å; Q351-K353 PolarHBondContact O-N 3.29Å; Q351-K353 VanDerWaalsContact O-N 3.09Å |
| 354 | S | 96.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -9.3 | -171.9 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | Q351 A352 R356 W422 | Q351-S354 VanDerWaalsContact CG-OG 3.25Å; Q351-S354 WeakPolarHBondContact CG-OG 3.3Å; Q351-S354 PolarHBondContact O-N 2.86Å; Q351-S354 VanDerWaalsContact O-N 3.1Å; Q351-S354 PolarHBondContact OE1-OG 3.09Å; A352-S354 PolarHBondContact O-N 3.34Å; S354-R356 PolarHBondContact O-N 3.1Å; S354-R356 VanDerWaalsContact O-N 3.16Å; S354-R356 WeakPolarHBondContact OG-CB 3.4Å; S354-R356 WeakPolarHBondContact OG-CG 3.04Å; S354-R356 PolarHBondContact OG-N 2.83Å; S354-W422 VanDerWaalsContact C-CH2 3.4Å; S354-W422 VanDerWaalsContact C-CZ2 3.42Å; S354-W422 VanDerWaalsContact O-CZ2 3.3Å; S354-W422 WeakPolarHBondContact O-CZ2 3.5Å |
| 355 | G | 96.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 4.9 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q351 V416 W417 | Q351-G355 PolarHBondContact O-N 2.6Å; G355-V416 WeakPolarHBondContact O-CA 3.5Å; G355-W417 PolarHBondContact O-N 2.98Å |
| 356 | R | 97.7 | Very high | 97.3 | Very high | 84 Ų | 84 | 35 Ų | 35 | 32% | 0.317 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 136.9 | 179.3 | -69.2 | 176.8 | 72.9 | -165.7 | 7 | 110.3 | Q351 S354 F358 E413 V416 | Q351-R356 HydrophobicContact CB-CB 4.25Å; Q351-R356 PolarHBondContact N-O 2.88Å; S354-R356 PolarHBondContact O-N 3.1Å; S354-R356 VanDerWaalsContact O-N 3.16Å; S354-R356 WeakPolarHBondContact OG-CB 3.4Å; S354-R356 WeakPolarHBondContact OG-CG 3.04Å; S354-R356 PolarHBondContact OG-N 2.83Å; R356-F358 HydrophobicContact CB-CE2 3.97Å; R356-F358 HydrophobicContact CB-CZ 4.29Å; R356-E413 IonicContact CZ-OE1 3.97Å; R356-E413 IonicContact CZ-OE2 3.79Å; R356-E413 IonicContact NH2-OE1 2.69Å; R356-E413 PolarHBondContact NH2-OE1 2.95Å; R356-E413 IonicContact NH2-OE2 2.73Å; R356-E413 PolarHBondContact NH2-OE2 2.85Å; R356-V416 HydrophobicContact CG-CG2 4.13Å |
| 357 | K | 97.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 8% | 0.078 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.7 | 178.9 | -62.4 | 174.1 | 66.9 | -163.4 | 0 | 110.6 | D320 G349 N414 G415 W417 | D320-K357 WeakPolarHBondContact OD1-CE 3.35Å; D320-K357 IonicContact OD1-NZ 3.54Å; D320-K357 PolarHBondContact OD1-NZ 3.45Å; D320-K357 IonicContact OD2-NZ 2.83Å; D320-K357 PolarHBondContact OD2-NZ 3.37Å; G349-K357 CarbonylContact O-C 3.43Å; G349-K357 WeakPolarHBondContact O-CA 3.4Å; K357-N414 HydrophobicContact CB-CB 4.08Å; K357-N414 WeakPolarHBondContact CB-O 3.16Å; K357-N414 PolarHBondContact O-N 3.19Å; K357-G415 PolarHBondContact N-O 3.48Å; K357-W417 HydrophobicContact CD-CD2 3.65Å; K357-W417 HydrophobicContact CD-CE3 3.95Å; K357-W417 HydrophobicContact CD-CG 4.18Å; K357-W417 HydrophobicContact CD-CH2 4.13Å; K357-W417 HydrophobicContact CD-CZ2 3.82Å; K357-W417 HydrophobicContact CD-CZ3 4.17Å; K357-W417 VanDerWaalsContact CE-CZ2 3.49Å; K357-W417 HydrophobicContact CG-CD2 4.04Å; K357-W417 HydrophobicContact CG-CG 4.14Å; K357-W417 HydrophobicContact CG-CZ2 4.24Å |
| 358 | F | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.5 | 175.7 | -60.4 | -91.3 | 0 | 0 | 0 | 108.9 | G348 G349 Q351 R356 Y360 W404 K405 V411 I412 E413 | G348-F358 CarbonylContact C-O 2.81Å; G348-F358 VanDerWaalsContact CA-O 3.29Å; G348-F358 WeakPolarHBondContact CA-O 3.27Å; G349-F358 PolarHBondContact N-O 3.38Å; G349-F358 PolarHBondContact O-N 3.22Å; Q351-F358 HydrophobicContact CB-CE2 4.14Å; R356-F358 HydrophobicContact CB-CE2 3.97Å; R356-F358 HydrophobicContact CB-CZ 4.29Å; F358-Y360 HydrophobicContact CB-CE2 4.24Å; F358-W404 AromaticContact CD2-CH2 3.99Å; F358-W404 HydrophobicContact CD2-CH2 3.99Å; F358-W404 AromaticContact CD2-CZ3 3.69Å; F358-W404 HydrophobicContact CD2-CZ3 3.69Å; F358-W404 HydrophobicContact CE2-CH2 4.17Å; F358-W404 HydrophobicContact CE2-CZ3 4.25Å; F358-W404 HydrophobicContact CG-CZ3 4.25Å; F358-K405 HydrophobicContact CD1-CB 4.28Å; F358-K405 HydrophobicContact CD1-CG 4.26Å; F358-K405 HydrophobicContact CD2-CD 4.31Å; F358-K405 HydrophobicContact CD2-CG 3.95Å; F358-K405 HydrophobicContact CE1-CB 3.79Å; F358-K405 HydrophobicContact CE1-CD 4.32Å; F358-K405 HydrophobicContact CE1-CG 3.88Å; F358-K405 HydrophobicContact CE2-CB 4.39Å; F358-K405 HydrophobicContact CE2-CD 3.51Å; F358-K405 HydrophobicContact CE2-CG 3.58Å; F358-K405 HydrophobicContact CG-CG 4.29Å; F358-K405 HydrophobicContact CZ-CB 3.86Å; F358-K405 HydrophobicContact CZ-CD 3.51Å; F358-K405 HydrophobicContact CZ-CG 3.53Å; F358-V411 HydrophobicContact CB-CG2 3.88Å; F358-V411 HydrophobicContact CD1-CG2 3.9Å; F358-V411 HydrophobicContact CG-CG2 4.29Å; F358-I412 CarbonylContact C-O 3.55Å; F358-I412 VanDerWaalsContact CA-O 3.31Å; F358-I412 WeakPolarHBondContact CA-O 3.45Å; F358-E413 HydrophobicContact CE1-CG 4.25Å |
| 359 | K | 97.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.5 | 175.8 | -178.1 | 175.5 | -175.1 | 179.7 | 0 | 108 | D341 W346 V361 V411 I412 N414 | D341-K359 IonicContact OD2-NZ 2.99Å; D341-K359 PolarHBondContact OD2-NZ 3.32Å; W346-K359 HydrophobicContact CB-CD 4.45Å; W346-K359 HydrophobicContact CB-CG 4Å; W346-K359 VanDerWaalsContact CD1-CE 3.41Å; W346-K359 HydrophobicContact CD2-CD 4.08Å; W346-K359 HydrophobicContact CD2-CG 4.02Å; W346-K359 HydrophobicContact CE3-CD 4.16Å; W346-K359 HydrophobicContact CE3-CG 3.75Å; W346-K359 HydrophobicContact CG-CD 4.21Å; W346-K359 HydrophobicContact CG-CG 4.15Å; K359-V361 HydrophobicContact CD-CG2 4.34Å; K359-V361 HydrophobicContact CG-CG2 4.06Å; K359-V411 WeakPolarHBondContact O-CA 3.44Å; K359-I412 HydrophobicContact CB-CD1 4.32Å; K359-I412 HydrophobicContact CB-CG1 3.83Å; K359-I412 HydrophobicContact CD-CD1 4.34Å; K359-I412 HydrophobicContact CG-CG1 4.47Å; K359-I412 PolarHBondContact N-O 2.73Å; K359-I412 WeakPolarHBondContact O-CG1 3.35Å; K359-I412 PolarHBondContact O-N 3.04Å; K359-N414 HydrophobicContact CB-CB 3.88Å |
| 360 | Y | 98.4 | Very high | 97.3 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.4 | 174.8 | -58.3 | -90.2 | 0 | 0 | 0 | 108 | W346 N347 F358 W404 P408 N410 V411 | W346-Y360 WeakPolarHBondContact CA-O 3.45Å; W346-Y360 WeakPolarHBondContact CB-O 3.38Å; N347-Y360 PolarHBondContact N-O 2.78Å; N347-Y360 VanDerWaalsContact N-O 3.16Å; N347-Y360 PolarHBondContact O-N 3.49Å; N347-Y360 WeakPolarHBondContact OD1-CB 3.36Å; F358-Y360 HydrophobicContact CB-CE2 4.24Å; Y360-W404 WeakPolarHBondContact CE1-O 3.19Å; Y360-W404 PolarHBondContact OH-O 3Å; Y360-P408 HydrophobicContact CD1-CB 4.12Å; Y360-P408 HydrophobicContact CD1-CG 4.43Å; Y360-P408 HydrophobicContact CE1-CB 3.92Å; Y360-P408 HydrophobicContact CE1-CG 3.81Å; Y360-N410 WeakPolarHBondContact CA-O 3.31Å; Y360-V411 HydrophobicContact CD1-CB 3.84Å; Y360-V411 HydrophobicContact CD1-CG2 4.01Å; Y360-V411 HydrophobicContact CE1-CB 3.5Å; Y360-V411 HydrophobicContact CE1-CG2 3.39Å; Y360-V411 HydrophobicContact CE2-CG2 4.37Å |
| 361 | V | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 37.4 Ų | 37.4 | 26% | 0.255 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.7 | -174.5 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | V344 W346 K359 N410 I412 | V344-V361 HydrophobicContact CB-CG1 3.84Å; V344-V361 HydrophobicContact CG1-CG1 3.98Å; V344-V361 HydrophobicContact CG2-CG1 4.03Å; W346-V361 HydrophobicContact CB-CG2 4.48Å; K359-V361 HydrophobicContact CD-CG2 4.34Å; K359-V361 HydrophobicContact CG-CG2 4.06Å; V361-N410 PolarHBondContact N-O 3.3Å; V361-N410 WeakPolarHBondContact O-CB 3.3Å; V361-N410 PolarHBondContact O-ND2 3.03Å; V361-I412 HydrophobicContact CG2-CD1 4.34Å |
| 362 | F | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.1 | -178.7 | -60.5 | -97.1 | 0 | 0 | 0 | 109.7 | F338 V344 V345 N347 F365 Y386 A389 N390 N410 | F338-F362 AromaticContact CE1-CD2 3.96Å; F338-F362 HydrophobicContact CE1-CD2 3.96Å; F338-F362 AromaticContact CE1-CE2 3.75Å; F338-F362 HydrophobicContact CE1-CE2 3.75Å; F338-F362 HydrophobicContact CE1-CZ 4.3Å; V344-F362 WeakPolarHBondContact CA-O 3.36Å; V344-F362 WeakPolarHBondContact CB-O 2.94Å; V345-F362 PolarHBondContact N-O 2.91Å; V345-F362 WeakPolarHBondContact O-CA 3.09Å; V345-F362 PolarHBondContact O-N 3.27Å; N347-F362 VanDerWaalsContact OD1-CE2 3.31Å; N347-F362 WeakPolarHBondContact OD1-CE2 3.46Å; F362-F365 HydrophobicContact CB-CE1 4.47Å; F362-Y386 HydrophobicContact CB-CD2 4.46Å; F362-Y386 AromaticContact CD1-CD2 3.45Å; F362-Y386 HydrophobicContact CD1-CD2 3.45Å; F362-Y386 VanDerWaalsContact CD1-CD2 3.45Å; F362-Y386 AromaticContact CD1-CE2 3.44Å; F362-Y386 HydrophobicContact CD1-CE2 3.44Å; F362-Y386 VanDerWaalsContact CD1-CE2 3.44Å; F362-Y386 HydrophobicContact CD1-CG 4.08Å; F362-Y386 HydrophobicContact CE1-CD1 4.42Å; F362-Y386 AromaticContact CE1-CD2 3.88Å; F362-Y386 HydrophobicContact CE1-CD2 3.88Å; F362-Y386 HydrophobicContact CE1-CE1 4.1Å; F362-Y386 AromaticContact CE1-CE2 3.52Å; F362-Y386 HydrophobicContact CE1-CE2 3.52Å; F362-Y386 HydrophobicContact CE1-CG 4.32Å; F362-Y386 AromaticContact CE1-CZ 3.63Å; F362-Y386 HydrophobicContact CG-CD2 4.13Å; F362-Y386 AromaticContact CG-CE2 3.99Å; F362-Y386 HydrophobicContact CG-CE2 3.99Å; F362-Y386 HydrophobicContact CZ-CE2 4.17Å; F362-A389 HydrophobicContact CD1-CB 4.08Å; F362-N390 HydrophobicContact CE1-CB 3.9Å; F362-N390 HydrophobicContact CZ-CB 4.38Å; F362-N410 WeakPolarHBondContact CE1-ND2 3.21Å; F362-N410 WeakPolarHBondContact CZ-ND2 3.39Å |
| 363 | P | 97.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 35.7 Ų | 35.7 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 155.6 | 164.6 | 28 | -33.4 | 0 | 0 | 0 | 110.1 | F365 D385 | P363-F365 WeakPolarHBondContact O-CD1 3.46Å; P363-F365 PolarHBondContact O-N 2.86Å; P363-D385 HydrophobicContact CG-CB 3.97Å |
| 364 | S | 97.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 30.4 Ų | 30.4 | 38% | 0.378 | 16% | 0.162 | S | C | . | . | trans | -57.2 | 138.3 | 172.1 | -78.9 | 0 | 0 | 0 | 0 | 112 | D343 | D343-S364 VanDerWaalsContact C-OG 3.25Å; D343-S364 WeakPolarHBondContact O-CB 3.31Å; D343-S364 PolarHBondContact O-N 3.43Å; D343-S364 PolarHBondContact O-OG 3.23Å | ||
| 365 | F | 97.7 | Very high | 97.2 | Very high | 11 Ų | 11 | 29 Ų | 29 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | trans | -137.4 | 156.7 | 175.8 | 58.3 | -94.8 | 0 | 0 | 0 | 112.1 | W265 F292 V345 F362 P363 L367 P380 E382 Y386 | W265-F365 HydrophobicContact CH2-CZ 4.39Å; W265-F365 HydrophobicContact CZ2-CE2 4.07Å; W265-F365 AromaticContact CZ2-CZ 3.74Å; W265-F365 HydrophobicContact CZ2-CZ 3.74Å; F292-F365 HydrophobicContact CE1-CE2 4.5Å; F292-F365 HydrophobicContact CE1-CZ 4.41Å; F292-F365 AromaticContact CZ-CE2 3.83Å; F292-F365 HydrophobicContact CZ-CE2 3.83Å; F292-F365 HydrophobicContact CZ-CZ 4.18Å; V345-F365 HydrophobicContact CB-CE1 4.05Å; V345-F365 HydrophobicContact CG1-CE1 4.08Å; V345-F365 HydrophobicContact CG1-CZ 4.28Å; V345-F365 HydrophobicContact CG2-CE1 4.27Å; F362-F365 HydrophobicContact CB-CE1 4.47Å; P363-F365 WeakPolarHBondContact O-CD1 3.46Å; P363-F365 PolarHBondContact O-N 2.86Å; F365-L367 HydrophobicContact CD2-CD2 4.07Å; F365-L367 HydrophobicContact CE2-CD2 3.88Å; F365-P380 HydrophobicContact CB-CB 3.97Å; F365-P380 HydrophobicContact CD2-CB 3.79Å; F365-P380 HydrophobicContact CD2-CG 4.07Å; F365-P380 HydrophobicContact CE2-CB 4.43Å; F365-P380 HydrophobicContact CE2-CG 4.21Å; F365-P380 HydrophobicContact CG-CB 3.84Å; F365-P380 HydrophobicContact CG-CG 4.36Å; F365-E382 WeakPolarHBondContact CA-OE2 3.1Å; F365-E382 HydrophobicContact CB-CB 4.39Å; F365-E382 WeakPolarHBondContact CB-OE2 3.48Å; F365-Y386 AromaticContact CD1-CD2 3.89Å; F365-Y386 HydrophobicContact CD1-CD2 3.89Å; F365-Y386 HydrophobicContact CD1-CE2 4.38Å; F365-Y386 AromaticContact CE1-CD2 3.77Å; F365-Y386 HydrophobicContact CE1-CD2 3.77Å; F365-Y386 AromaticContact CE1-CE2 3.79Å; F365-Y386 HydrophobicContact CE1-CE2 3.79Å; F365-Y386 HydrophobicContact CZ-CD2 4.4Å; F365-Y386 HydrophobicContact CZ-CE2 4.13Å | ||
| 366 | S | 96.9 | Very high | 97.2 | Very high | 56 Ų | 56 | 30.1 Ų | 30.1 | 39% | 0.392 | 16% | 0.157 | S | C | . | . | trans | -100.8 | 167.8 | 166.6 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | P380 C381 E382 | S366-P380 CarbonylContact O-C 3.36Å; S366-P380 WeakPolarHBondContact O-CA 3.45Å; S366-C381 PolarHBondContact O-N 3.46Å; S366-C381 VanDerWaalsContact OG-CB 3.28Å; S366-C381 WeakPolarHBondContact OG-CB 3.37Å; S366-C381 PolarHBondContact OG-SG 3.35Å; S366-E382 PolarHBondContact N-OE2 3.3Å; S366-E382 PolarHBondContact OG-OE1 2.93Å; S366-E382 PolarHBondContact OG-OE2 3.24Å | ||
| 367 | L | 98.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 20% | 0.199 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.2 | 179.7 | -62.8 | -178.8 | 0 | 0 | 0 | 111.3 | W265 F292 F365 R378 V379 C381 | W265-L367 HydrophobicContact CB-CD2 3.95Å; W265-L367 HydrophobicContact CD2-CD2 3.93Å; W265-L367 HydrophobicContact CE3-CD1 3.92Å; W265-L367 HydrophobicContact CE3-CD2 3.88Å; W265-L367 HydrophobicContact CG-CD2 3.97Å; W265-L367 HydrophobicContact CZ3-CD1 4.42Å; F292-L367 HydrophobicContact CE2-CD1 4.13Å; F292-L367 HydrophobicContact CE2-CG 4.37Å; F365-L367 HydrophobicContact CD2-CD2 4.07Å; F365-L367 HydrophobicContact CE2-CD2 3.88Å; L367-R378 HydrophobicContact CB-CB 4.36Å; L367-V379 WeakPolarHBondContact CA-O 3.47Å; L367-C381 PolarHBondContact O-SG 3.46Å |
| 368 | C | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 146.5 | 175 | -79.6 | 0 | 0 | 0 | 0 | 109.1 | R215 L217 R378 V379 C381 | R215-C368 WeakPolarHBondContact CD-SG 3.13Å; R215-C368 VanDerWaalsContact CG-SG 3.57Å; R215-C368 CarbonylContact O-C 3.53Å; R215-C368 WeakPolarHBondContact O-CA 3.15Å; L217-C368 HydrophobicContact CD1-CB 3.9Å; L217-C368 HydrophobicContact CG-CB 3.77Å; C368-R378 CarbonylContact O-C 3.51Å; C368-R378 WeakPolarHBondContact O-CA 3.44Å; C368-R378 WeakPolarHBondContact O-CB 3.11Å; C368-V379 HydrophobicContact CB-CG2 4.27Å; C368-V379 PolarHBondContact N-O 3.29Å; C368-V379 PolarHBondContact O-N 3Å; C368-C381 VanDerWaalsContact CA-SG 3.54Å; C368-C381 HydrophobicContact CB-CB 4.14Å; C368-C381 WeakPolarHBondContact CB-SG 3.29Å; C368-C381 PolarHBondContact N-SG 3.46Å; C368-C381 WeakPolarHBondContact SG-CB 3.48Å; C368-C381 CovalentContact SG-SG 2.03Å; C368-C381 PolarHBondContact SG-SG 3.35Å |
| 369 | W | 98.3 | Very high | 97.3 | Very high | 26 Ų | 26 | 26.4 Ų | 26.4 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 149.1 | 166.7 | -69.2 | 112.1 | 0 | 0 | 0 | 110.9 | A182 E213 R215 F216 L217 K376 V377 R378 | A182-W369 HydrophobicContact CB-CB 3.95Å; A182-W369 HydrophobicContact CB-CG 4.14Å; E213-W369 PolarHBondContact O-NE1 3Å; R215-W369 PolarHBondContact O-N 2.8Å; F216-W369 CarbonylContact C-O 3.52Å; F216-W369 VanDerWaalsContact CA-O 3.28Å; F216-W369 WeakPolarHBondContact CA-O 3.23Å; F216-W369 HydrophobicContact CD2-CB 3.74Å; L217-W369 PolarHBondContact N-O 2.65Å; W369-K376 HydrophobicContact CD2-CD 4.43Å; W369-K376 HydrophobicContact CD2-CG 4.3Å; W369-K376 HydrophobicContact CE3-CD 4.05Å; W369-K376 VanDerWaalsContact CE3-CE 3.42Å; W369-K376 HydrophobicContact CE3-CG 3.58Å; W369-K376 HydrophobicContact CZ3-CD 4.15Å; W369-K376 HydrophobicContact CZ3-CG 3.84Å; W369-V377 CarbonylContact C-O 3.5Å; W369-V377 WeakPolarHBondContact CA-O 3.26Å; W369-R378 HydrophobicContact CD2-CG 4.05Å; W369-R378 HydrophobicContact CE3-CG 3.59Å; W369-R378 HydrophobicContact CH2-CG 4.11Å; W369-R378 VanDerWaalsContact CH2-CZ 3.41Å; W369-R378 HydrophobicContact CZ3-CG 3.62Å |
| 370 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | -178.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | W274 V377 V379 | W274-A370 HydrophobicContact CH2-CB 4.31Å; W274-A370 HydrophobicContact CZ2-CB 3.6Å; A370-V377 HydrophobicContact CB-CG2 4.4Å; A370-V377 PolarHBondContact N-O 2.86Å; A370-V377 PolarHBondContact O-N 3.13Å; A370-V377 VanDerWaalsContact O-O 3.06Å; A370-V379 HydrophobicContact CB-CG1 3.89Å; A370-V379 HydrophobicContact CB-CG2 3.89Å |
| 371 | E | 96.4 | Very high | 97.3 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.6 | 173.3 | -169.4 | 175.1 | 89.2 | 0 | 0 | 110.4 | R148 Y152 F216 W274 V375 | R148-E371 IonicContact CZ-OE1 2.85Å; R148-E371 IonicContact CZ-OE2 2.76Å; R148-E371 IonicContact NE-OE1 2.93Å; R148-E371 IonicContact NE-OE2 3.82Å; R148-E371 PolarHBondContact NE-OE2 3.05Å; R148-E371 IonicContact NH2-OE1 2.57Å; R148-E371 PolarHBondContact NH2-OE1 3.25Å; R148-E371 IonicContact NH2-OE2 3.79Å; Y152-E371 VanDerWaalsContact CE1-OE2 3.26Å; Y152-E371 WeakPolarHBondContact CE1-OE2 3.35Å; Y152-E371 VanDerWaalsContact CZ-OE2 3.32Å; Y152-E371 PolarHBondContact OH-OE2 2.92Å; F216-E371 HydrophobicContact CZ-CB 4.22Å; W274-E371 VanDerWaalsContact CD1-O 3.26Å; W274-E371 PolarHBondContact NE1-O 2.75Å; W274-E371 VanDerWaalsContact NE1-O 3.11Å; E371-V375 WeakPolarHBondContact CA-O 3.47Å |
| 372 | L | 96.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 126.4 | 171.8 | 176.4 | 61.9 | 0 | 0 | 0 | 108.5 | L250 I266 T270 W274 V280 E374 V375 V377 | L250-L372 HydrophobicContact CD2-CB 4.21Å; L250-L372 HydrophobicContact CD2-CD2 4Å; L250-L372 HydrophobicContact CD2-CG 4.13Å; I266-L372 HydrophobicContact CD1-CB 4.4Å; I266-L372 HydrophobicContact CD1-CD2 3.83Å; I266-L372 HydrophobicContact CG2-CD2 4.24Å; T270-L372 HydrophobicContact CG2-CD2 3.64Å; W274-L372 HydrophobicContact CB-CD1 4.27Å; W274-L372 HydrophobicContact CB-CD2 4.5Å; V280-L372 HydrophobicContact CG1-CD1 4.43Å; V280-L372 HydrophobicContact CG1-CD2 4.13Å; L372-E374 PolarHBondContact O-N 2.91Å; L372-V375 PolarHBondContact N-O 2.96Å; L372-V375 VanDerWaalsContact N-O 3.08Å; L372-V375 WeakPolarHBondContact O-CB 3.39Å; L372-V375 PolarHBondContact O-N 3.11Å; L372-V377 HydrophobicContact CB-CG2 4.13Å |
| 373 | L | 94.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 26 Ų | 26 | 23% | 0.225 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.5 | -179.7 | -55.7 | 175 | 0 | 0 | 0 | 112.9 | A246 K247 V280 V375 | A246-L373 HydrophobicContact CB-CD1 4.2Å; K247-L373 HydrophobicContact CB-CB 3.96Å; K247-L373 HydrophobicContact CB-CD1 3.97Å; K247-L373 HydrophobicContact CD-CB 4.3Å; K247-L373 WeakPolarHBondContact CD-O 3.3Å; K247-L373 VanDerWaalsContact CE-O 3.25Å; K247-L373 WeakPolarHBondContact CE-O 3.46Å; K247-L373 HydrophobicContact CG-CB 3.99Å; K247-L373 WeakPolarHBondContact CG-O 3.31Å; V280-L373 HydrophobicContact CG1-CD1 3.86Å; V280-L373 HydrophobicContact CG2-CD1 4.38Å; L373-V375 PolarHBondContact O-N 3.27Å |
| 374 | E | 93.8 | Very high | 97.3 | Very high | 87 Ų | 87 | 26.4 Ų | 26.4 | 41% | 0.407 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 20.2 | -176.7 | -49.6 | 174.3 | 146.7 | 0 | 0 | 114.4 | S149 G150 K247 L372 | S149-E374 WeakPolarHBondContact OG-CB 3.41Å; G150-E374 WeakPolarHBondContact CA-O 3.46Å; G150-E374 PolarHBondContact N-O 3.04Å; K247-E374 VanDerWaalsContact CE-OE2 3.3Å; K247-E374 WeakPolarHBondContact CE-OE2 3.33Å; K247-E374 IonicContact NZ-OE2 3.31Å; K247-E374 PolarHBondContact NZ-OE2 3.36Å; L372-E374 PolarHBondContact O-N 2.91Å |
| 375 | V | 96 | Very high | 97.4 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.4 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | L250 R251 A254 E371 L372 L373 V377 | L250-V375 HydrophobicContact CD2-CB 4.16Å; L250-V375 HydrophobicContact CD2-CG2 4.44Å; L250-V375 HydrophobicContact CG-CB 4.25Å; L250-V375 HydrophobicContact CG-CG1 4.18Å; L250-V375 HydrophobicContact CG-CG2 4.44Å; R251-V375 HydrophobicContact CB-CG2 4.02Å; A254-V375 HydrophobicContact CB-CG1 3.91Å; E371-V375 WeakPolarHBondContact CA-O 3.47Å; L372-V375 PolarHBondContact N-O 2.96Å; L372-V375 VanDerWaalsContact N-O 3.08Å; L372-V375 WeakPolarHBondContact O-CB 3.39Å; L372-V375 PolarHBondContact O-N 3.11Å; L373-V375 PolarHBondContact O-N 3.27Å; V375-V377 HydrophobicContact CB-CG1 4.35Å; V375-V377 HydrophobicContact CG1-CG1 4.04Å; V375-V377 PolarHBondContact O-N 2.92Å |
| 376 | K | 96.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 116.7 | 169.8 | -177 | -177.9 | 172.4 | -176.7 | 0 | 108.6 | Y152 D184 W369 | Y152-K376 HydrophobicContact CD1-CB 3.64Å; Y152-K376 HydrophobicContact CD1-CD 3.95Å; Y152-K376 HydrophobicContact CD1-CG 4.07Å; Y152-K376 HydrophobicContact CD2-CD 4.11Å; Y152-K376 HydrophobicContact CE1-CB 3.81Å; Y152-K376 HydrophobicContact CE1-CG 4.3Å; Y152-K376 HydrophobicContact CG-CB 4.26Å; Y152-K376 HydrophobicContact CG-CD 3.67Å; Y152-K376 HydrophobicContact CG-CG 4.21Å; D184-K376 IonicContact OD1-NZ 2.94Å; D184-K376 PolarHBondContact OD1-NZ 3.13Å; W369-K376 HydrophobicContact CD2-CD 4.43Å; W369-K376 HydrophobicContact CD2-CG 4.3Å; W369-K376 HydrophobicContact CE3-CD 4.05Å; W369-K376 VanDerWaalsContact CE3-CE 3.42Å; W369-K376 HydrophobicContact CE3-CG 3.58Å; W369-K376 HydrophobicContact CZ3-CD 4.15Å; W369-K376 HydrophobicContact CZ3-CG 3.84Å |
| 377 | V | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 166.8 | -179 | -65.4 | 0 | 0 | 0 | 0 | 110 | L250 F264 I266 W369 A370 L372 V375 | L250-V377 HydrophobicContact CD1-CG1 4Å; L250-V377 HydrophobicContact CD2-CG1 3.92Å; L250-V377 HydrophobicContact CG-CG1 4.04Å; F264-V377 HydrophobicContact CE2-CG1 4.17Å; F264-V377 HydrophobicContact CZ-CG1 4.23Å; I266-V377 HydrophobicContact CD1-CG2 4.26Å; I266-V377 HydrophobicContact CG1-CG2 4.45Å; I266-V377 HydrophobicContact CG2-CB 4.13Å; I266-V377 HydrophobicContact CG2-CG1 4.14Å; I266-V377 HydrophobicContact CG2-CG2 4.18Å; W369-V377 CarbonylContact C-O 3.5Å; W369-V377 WeakPolarHBondContact CA-O 3.26Å; A370-V377 HydrophobicContact CB-CG2 4.4Å; A370-V377 PolarHBondContact N-O 2.86Å; A370-V377 PolarHBondContact O-N 3.13Å; A370-V377 VanDerWaalsContact O-O 3.06Å; L372-V377 HydrophobicContact CB-CG2 4.13Å; V375-V377 HydrophobicContact CB-CG1 4.35Å; V375-V377 HydrophobicContact CG1-CG1 4.04Å; V375-V377 PolarHBondContact O-N 2.92Å |
| 378 | R | 98.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 11% | 0.109 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 159.8 | 165.1 | -57.2 | 176.3 | 164.5 | 106.1 | -15.6 | 111.3 | E213 F264 W265 I266 L367 C368 W369 | E213-R378 IonicContact OE2-NH2 2.68Å; E213-R378 PolarHBondContact OE2-NH2 2.95Å; F264-R378 VanDerWaalsContact O-CB 3.27Å; F264-R378 WeakPolarHBondContact O-CB 3.3Å; W265-R378 CarbonylContact C-O 3.51Å; W265-R378 WeakPolarHBondContact CA-O 3.39Å; W265-R378 HydrophobicContact CB-CB 3.96Å; W265-R378 VanDerWaalsContact CB-O 3.23Å; W265-R378 WeakPolarHBondContact CB-O 3.19Å; I266-R378 PolarHBondContact N-O 3.04Å; L367-R378 HydrophobicContact CB-CB 4.36Å; C368-R378 CarbonylContact O-C 3.51Å; C368-R378 WeakPolarHBondContact O-CA 3.44Å; C368-R378 WeakPolarHBondContact O-CB 3.11Å; W369-R378 HydrophobicContact CD2-CG 4.05Å; W369-R378 HydrophobicContact CE3-CG 3.59Å; W369-R378 HydrophobicContact CH2-CG 4.11Å; W369-R378 VanDerWaalsContact CH2-CZ 3.41Å; W369-R378 HydrophobicContact CZ3-CG 3.62Å |
| 379 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 157.4 | 171 | -66.9 | 0 | 0 | 0 | 0 | 108.5 | L217 I266 W274 L367 C368 A370 C381 | L217-V379 HydrophobicContact CD1-CG2 4.03Å; I266-V379 HydrophobicContact CD1-CG1 3.75Å; I266-V379 HydrophobicContact CG1-CG1 3.6Å; W274-V379 HydrophobicContact CD2-CG1 3.97Å; W274-V379 HydrophobicContact CE3-CB 4.37Å; W274-V379 HydrophobicContact CE3-CG1 3.66Å; W274-V379 HydrophobicContact CH2-CB 4.34Å; W274-V379 HydrophobicContact CH2-CG1 4.13Å; W274-V379 HydrophobicContact CH2-CG2 3.76Å; W274-V379 HydrophobicContact CZ2-CG1 4.4Å; W274-V379 HydrophobicContact CZ2-CG2 4.4Å; W274-V379 HydrophobicContact CZ3-CB 3.98Å; W274-V379 HydrophobicContact CZ3-CG1 3.73Å; W274-V379 HydrophobicContact CZ3-CG2 3.89Å; L367-V379 WeakPolarHBondContact CA-O 3.47Å; C368-V379 HydrophobicContact CB-CG2 4.27Å; C368-V379 PolarHBondContact N-O 3.29Å; C368-V379 PolarHBondContact O-N 3Å; A370-V379 HydrophobicContact CB-CG1 3.89Å; A370-V379 HydrophobicContact CB-CG2 3.89Å; V379-C381 PolarHBondContact O-N 3.26Å |
| 380 | P | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 126.5 | 162.7 | -24.5 | 36.3 | 0 | 0 | 0 | 109.6 | F365 S366 E382 T383 Y386 | F365-P380 HydrophobicContact CB-CB 3.97Å; F365-P380 HydrophobicContact CD2-CB 3.79Å; F365-P380 HydrophobicContact CD2-CG 4.07Å; F365-P380 HydrophobicContact CE2-CB 4.43Å; F365-P380 HydrophobicContact CE2-CG 4.21Å; F365-P380 HydrophobicContact CG-CB 3.84Å; F365-P380 HydrophobicContact CG-CG 4.36Å; S366-P380 CarbonylContact O-C 3.36Å; S366-P380 WeakPolarHBondContact O-CA 3.45Å; P380-E382 PolarHBondContact O-N 2.89Å; P380-T383 WeakPolarHBondContact O-CA 3.49Å; P380-T383 WeakPolarHBondContact O-CB 3.41Å; P380-T383 PolarHBondContact O-N 3.3Å; P380-T383 PolarHBondContact O-OG1 3.5Å; P380-Y386 HydrophobicContact CB-CD2 4.2Å; P380-Y386 HydrophobicContact CB-CG 4.08Å; P380-Y386 HydrophobicContact CG-CD1 3.97Å; P380-Y386 HydrophobicContact CG-CD2 3.66Å; P380-Y386 HydrophobicContact CG-CE1 4.32Å; P380-Y386 HydrophobicContact CG-CE2 4.01Å; P380-Y386 HydrophobicContact CG-CG 3.63Å |
| 381 | C | 98 | Very high | 97.4 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 11% | 0.108 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -61 | -37.4 | 176.9 | -69.9 | 0 | 0 | 0 | 0 | 111 | S366 L367 C368 V379 T383 | S366-C381 PolarHBondContact O-N 3.46Å; S366-C381 VanDerWaalsContact OG-CB 3.28Å; S366-C381 WeakPolarHBondContact OG-CB 3.37Å; S366-C381 PolarHBondContact OG-SG 3.35Å; L367-C381 PolarHBondContact O-SG 3.46Å; C368-C381 VanDerWaalsContact CA-SG 3.54Å; C368-C381 HydrophobicContact CB-CB 4.14Å; C368-C381 WeakPolarHBondContact CB-SG 3.29Å; C368-C381 PolarHBondContact N-SG 3.46Å; C368-C381 WeakPolarHBondContact SG-CB 3.48Å; C368-C381 CovalentContact SG-SG 2.03Å; C368-C381 PolarHBondContact SG-SG 3.35Å; V379-C381 PolarHBondContact O-N 3.26Å; C381-T383 PolarHBondContact O-N 3.05Å; C381-T383 VanDerWaalsContact O-N 3.09Å |
| 382 | E | 98.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 30% | 0.304 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -82.1 | 51.4 | 171.6 | -61.2 | 68.7 | -142 | 0 | 0 | 110.1 | F365 S366 P380 L384 D385 Y386 | F365-E382 WeakPolarHBondContact CA-OE2 3.1Å; F365-E382 HydrophobicContact CB-CB 4.39Å; F365-E382 WeakPolarHBondContact CB-OE2 3.48Å; S366-E382 PolarHBondContact N-OE2 3.3Å; S366-E382 PolarHBondContact OG-OE1 2.93Å; S366-E382 PolarHBondContact OG-OE2 3.24Å; P380-E382 PolarHBondContact O-N 2.89Å; E382-L384 VanDerWaalsContact C-N 3.31Å; E382-L384 PolarHBondContact O-N 3.38Å; E382-D385 HydrophobicContact CB-CB 4.47Å; E382-D385 PolarHBondContact O-N 3.49Å; E382-Y386 PolarHBondContact O-N 2.98Å; E382-Y386 VanDerWaalsContact O-N 3.08Å |
| 383 | T | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | -168.6 | -39.5 | 0 | 0 | 0 | 0 | 112.8 | W274 Y275 P380 C381 Y386 V387 | W274-T383 HydrophobicContact CE3-CG2 4.21Å; W274-T383 HydrophobicContact CZ3-CG2 3.7Å; Y275-T383 HydrophobicContact CD2-CG2 3.49Å; Y275-T383 VanDerWaalsContact CD2-CG2 3.49Å; Y275-T383 HydrophobicContact CE2-CG2 4.11Å; Y275-T383 HydrophobicContact CG-CG2 3.79Å; P380-T383 WeakPolarHBondContact O-CA 3.49Å; P380-T383 WeakPolarHBondContact O-CB 3.41Å; P380-T383 PolarHBondContact O-N 3.3Å; P380-T383 PolarHBondContact O-OG1 3.5Å; C381-T383 PolarHBondContact O-N 3.05Å; C381-T383 VanDerWaalsContact O-N 3.09Å; T383-Y386 PolarHBondContact O-N 2.81Å; T383-V387 HydrophobicContact CG2-CG2 4.22Å; T383-V387 WeakPolarHBondContact O-CB 3.27Å; T383-V387 WeakPolarHBondContact O-CG2 3.37Å; T383-V387 PolarHBondContact O-N 3.47Å |
| 384 | L | 98.2 | Very high | 97.5 | Very high | 63 Ų | 63 | 33.4 Ų | 33.4 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | -178.9 | -178.1 | 58.6 | 0 | 0 | 0 | 111.2 | Y275 E382 Y386 V387 M388 W395 | Y275-L384 HydrophobicContact CE1-CB 4.44Å; Y275-L384 HydrophobicContact CE1-CD1 3.87Å; E382-L384 VanDerWaalsContact C-N 3.31Å; E382-L384 PolarHBondContact O-N 3.38Å; L384-Y386 VanDerWaalsContact C-N 3.34Å; L384-Y386 PolarHBondContact O-N 2.88Å; L384-V387 PolarHBondContact O-N 2.92Å; L384-M388 HydrophobicContact CD1-CG 3.92Å; L384-M388 HydrophobicContact CD1-SD 3.82Å; L384-M388 HydrophobicContact CD2-SD 4.32Å; L384-M388 HydrophobicContact CG-CG 4.27Å; L384-M388 HydrophobicContact CG-SD 3.78Å; L384-M388 VanDerWaalsContact O-CB 3.3Å; L384-M388 WeakPolarHBondContact O-CB 3.44Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.42Å; L384-M388 PolarHBondContact O-N 3.29Å; L384-W395 HydrophobicContact CD1-CZ2 3.82Å |
| 385 | D | 98.4 | Very high | 97.6 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 47% | 0.465 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 179.9 | -59.6 | -33 | 0 | 0 | 0 | 110.8 | P363 E382 M388 A389 | P363-D385 HydrophobicContact CG-CB 3.97Å; E382-D385 HydrophobicContact CB-CB 4.47Å; E382-D385 PolarHBondContact O-N 3.49Å; D385-M388 PolarHBondContact O-N 3.44Å; D385-A389 WeakPolarHBondContact O-CB 3.45Å; D385-A389 PolarHBondContact O-N 2.91Å |
| 386 | Y | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 173.3 | -176.9 | -91.1 | 0 | 0 | 0 | 112.3 | S267 C271 F338 F362 F365 P380 E382 T383 L384 N390 | S267-Y386 PolarHBondContact OG-OH 2.83Å; C271-Y386 HydrophobicContact CB-CE1 4.36Å; F338-Y386 HydrophobicContact CE1-CE2 4.23Å; F338-Y386 WeakPolarHBondContact CZ-OH 3.28Å; F362-Y386 HydrophobicContact CB-CD2 4.46Å; F362-Y386 AromaticContact CD1-CD2 3.45Å; F362-Y386 HydrophobicContact CD1-CD2 3.45Å; F362-Y386 VanDerWaalsContact CD1-CD2 3.45Å; F362-Y386 AromaticContact CD1-CE2 3.44Å; F362-Y386 HydrophobicContact CD1-CE2 3.44Å; F362-Y386 VanDerWaalsContact CD1-CE2 3.44Å; F362-Y386 HydrophobicContact CD1-CG 4.08Å; F362-Y386 HydrophobicContact CE1-CD1 4.42Å; F362-Y386 AromaticContact CE1-CD2 3.88Å; F362-Y386 HydrophobicContact CE1-CD2 3.88Å; F362-Y386 HydrophobicContact CE1-CE1 4.1Å; F362-Y386 AromaticContact CE1-CE2 3.52Å; F362-Y386 HydrophobicContact CE1-CE2 3.52Å; F362-Y386 HydrophobicContact CE1-CG 4.32Å; F362-Y386 AromaticContact CE1-CZ 3.63Å; F362-Y386 HydrophobicContact CG-CD2 4.13Å; F362-Y386 AromaticContact CG-CE2 3.99Å; F362-Y386 HydrophobicContact CG-CE2 3.99Å; F362-Y386 HydrophobicContact CZ-CE2 4.17Å; F365-Y386 AromaticContact CD1-CD2 3.89Å; F365-Y386 HydrophobicContact CD1-CD2 3.89Å; F365-Y386 HydrophobicContact CD1-CE2 4.38Å; F365-Y386 AromaticContact CE1-CD2 3.77Å; F365-Y386 HydrophobicContact CE1-CD2 3.77Å; F365-Y386 AromaticContact CE1-CE2 3.79Å; F365-Y386 HydrophobicContact CE1-CE2 3.79Å; F365-Y386 HydrophobicContact CZ-CD2 4.4Å; F365-Y386 HydrophobicContact CZ-CE2 4.13Å; P380-Y386 HydrophobicContact CB-CD2 4.2Å; P380-Y386 HydrophobicContact CB-CG 4.08Å; P380-Y386 HydrophobicContact CG-CD1 3.97Å; P380-Y386 HydrophobicContact CG-CD2 3.66Å; P380-Y386 HydrophobicContact CG-CE1 4.32Å; P380-Y386 HydrophobicContact CG-CE2 4.01Å; P380-Y386 HydrophobicContact CG-CG 3.63Å; E382-Y386 PolarHBondContact O-N 2.98Å; E382-Y386 VanDerWaalsContact O-N 3.08Å; T383-Y386 PolarHBondContact O-N 2.81Å; L384-Y386 VanDerWaalsContact C-N 3.34Å; L384-Y386 PolarHBondContact O-N 2.88Å; Y386-N390 PolarHBondContact O-N 3.2Å |
| 387 | V | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 179.2 | 165 | 0 | 0 | 0 | 0 | 111 | L272 Y275 T383 L384 A389 N390 Y391 W395 | L272-V387 HydrophobicContact CD1-CG1 3.75Å; Y275-V387 HydrophobicContact CD1-CG2 4.3Å; T383-V387 HydrophobicContact CG2-CG2 4.22Å; T383-V387 WeakPolarHBondContact O-CB 3.27Å; T383-V387 WeakPolarHBondContact O-CG2 3.37Å; T383-V387 PolarHBondContact O-N 3.47Å; L384-V387 PolarHBondContact O-N 2.92Å; V387-A389 VanDerWaalsContact C-N 3.35Å; V387-A389 PolarHBondContact O-N 2.85Å; V387-N390 PolarHBondContact O-N 3.22Å; V387-Y391 HydrophobicContact CG1-CD2 4.18Å; V387-Y391 WeakPolarHBondContact O-CB 3.24Å; V387-Y391 WeakPolarHBondContact O-CD2 3.46Å; V387-Y391 PolarHBondContact O-N 3.24Å; V387-W395 HydrophobicContact CG1-CB 3.72Å; V387-W395 HydrophobicContact CG1-CD2 3.93Å; V387-W395 HydrophobicContact CG1-CE3 4.02Å; V387-W395 HydrophobicContact CG1-CG 3.81Å |
| 388 | M | 98.3 | Very high | 97.5 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 39% | 0.389 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 179.1 | -77.6 | -178.3 | 60.6 | 0 | 0 | 112.2 | L384 D385 N390 G392 | L384-M388 HydrophobicContact CD1-CG 3.92Å; L384-M388 HydrophobicContact CD1-SD 3.82Å; L384-M388 HydrophobicContact CD2-SD 4.32Å; L384-M388 HydrophobicContact CG-CG 4.27Å; L384-M388 HydrophobicContact CG-SD 3.78Å; L384-M388 VanDerWaalsContact O-CB 3.3Å; L384-M388 WeakPolarHBondContact O-CB 3.44Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.42Å; L384-M388 PolarHBondContact O-N 3.29Å; D385-M388 PolarHBondContact O-N 3.44Å; M388-N390 VanDerWaalsContact C-N 3.29Å; M388-N390 PolarHBondContact O-N 3.17Å; M388-G392 WeakPolarHBondContact O-CA 3.31Å; M388-G392 PolarHBondContact O-N 2.96Å |
| 389 | A | 98 | Very high | 97.2 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | F362 D385 V387 N410 | F362-A389 HydrophobicContact CD1-CB 4.08Å; D385-A389 WeakPolarHBondContact O-CB 3.45Å; D385-A389 PolarHBondContact O-N 2.91Å; V387-A389 VanDerWaalsContact C-N 3.35Å; V387-A389 PolarHBondContact O-N 2.85Å; A389-N410 WeakPolarHBondContact O-CB 3.27Å; A389-N410 VanDerWaalsContact O-CG 3.28Å; A389-N410 PolarHBondContact O-N 2.73Å |
| 390 | N | 96.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.2 | -40.9 | -175.8 | -160.3 | -147.6 | 0 | 0 | 0 | 113.9 | F362 Y386 V387 M388 P408 S409 N410 | F362-N390 HydrophobicContact CE1-CB 3.9Å; F362-N390 HydrophobicContact CZ-CB 4.38Å; Y386-N390 PolarHBondContact O-N 3.2Å; V387-N390 PolarHBondContact O-N 3.22Å; M388-N390 VanDerWaalsContact C-N 3.29Å; M388-N390 PolarHBondContact O-N 3.17Å; N390-P408 CarbonylContact O-C 3.5Å; N390-P408 WeakPolarHBondContact O-CA 3.44Å; N390-S409 PolarHBondContact O-N 2.88Å; N390-N410 WeakPolarHBondContact CA-OD1 3.45Å; N390-N410 PolarHBondContact ND2-OD1 3.5Å |
| 391 | Y | 97.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 52 Ų | 52 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -109.5 | -2.7 | -170.3 | -63.2 | -80.9 | 0 | 0 | 0 | 114.5 | S268 G269 L272 V387 W402 | S268-Y391 PolarHBondContact O-OH 2.74Å; G269-Y391 VanDerWaalsContact CA-OH 3.26Å; G269-Y391 WeakPolarHBondContact CA-OH 3.36Å; G269-Y391 PolarHBondContact N-OH 2.87Å; L272-Y391 HydrophobicContact CB-CD2 4.32Å; L272-Y391 HydrophobicContact CB-CE2 3.76Å; L272-Y391 HydrophobicContact CD1-CD2 4.36Å; L272-Y391 HydrophobicContact CD2-CD1 3.74Å; L272-Y391 HydrophobicContact CD2-CD2 3.98Å; L272-Y391 HydrophobicContact CD2-CE1 3.6Å; L272-Y391 HydrophobicContact CD2-CE2 3.84Å; L272-Y391 HydrophobicContact CD2-CG 3.94Å; L272-Y391 HydrophobicContact CG-CD2 4.45Å; L272-Y391 HydrophobicContact CG-CE2 4.28Å; V387-Y391 HydrophobicContact CG1-CD2 4.18Å; V387-Y391 WeakPolarHBondContact O-CB 3.24Å; V387-Y391 WeakPolarHBondContact O-CD2 3.46Å; V387-Y391 PolarHBondContact O-N 3.24Å; Y391-W402 AromaticContact CD1-CH2 3.36Å; Y391-W402 HydrophobicContact CD1-CH2 3.36Å; Y391-W402 AromaticContact CD1-CZ2 3.74Å; Y391-W402 HydrophobicContact CD1-CZ2 3.74Å; Y391-W402 AromaticContact CD1-CZ3 3.99Å; Y391-W402 HydrophobicContact CD1-CZ3 3.99Å; Y391-W402 AromaticContact CE1-CH2 3.7Å; Y391-W402 HydrophobicContact CE1-CH2 3.7Å; Y391-W402 AromaticContact CE1-CZ2 3.57Å; Y391-W402 HydrophobicContact CE1-CZ2 3.57Å; Y391-W402 HydrophobicContact CE1-CZ3 4.36Å; Y391-W402 HydrophobicContact CG-CH2 4.37Å |
| 392 | G | 97.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | trans | 72.8 | -172.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | M388 T394 W395 S409 | M388-G392 WeakPolarHBondContact O-CA 3.31Å; M388-G392 PolarHBondContact O-N 2.96Å; G392-T394 PolarHBondContact O-N 3.17Å; G392-T394 VanDerWaalsContact O-N 3.17Å; G392-W395 WeakPolarHBondContact O-CB 3.48Å; G392-W395 PolarHBondContact O-N 2.81Å; G392-S409 WeakPolarHBondContact CA-OG 3.34Å; G392-S409 PolarHBondContact N-OG 3.11Å | ||
| 393 | G | 96.7 | Very high | 96.1 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 68% | 0.68 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 394 | T | 96.1 | Very high | 95.9 | Very high | 97 Ų | 97 | 60.3 Ų | 60.3 | 60% | 0.595 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 19.8 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | G392 S396 V397 | G392-T394 PolarHBondContact O-N 3.17Å; G392-T394 VanDerWaalsContact O-N 3.17Å; T394-S396 PolarHBondContact O-N 3.29Å; T394-V397 WeakPolarHBondContact O-CB 3.38Å; T394-V397 PolarHBondContact O-N 3.04Å |
| 395 | W | 96.5 | Very high | 95.7 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 15% | 0.148 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -28.2 | -178.6 | 65.1 | -94.8 | 0 | 0 | 0 | 114.5 | L272 Y275 R276 L384 V387 G392 V397 | L272-W395 HydrophobicContact CD1-CE3 4.09Å; Y275-W395 HydrophobicContact CD1-CE3 4.5Å; Y275-W395 HydrophobicContact CD1-CH2 4.22Å; Y275-W395 AromaticContact CD1-CZ3 3.99Å; Y275-W395 HydrophobicContact CD1-CZ3 3.99Å; Y275-W395 AromaticContact CE1-CH2 3.83Å; Y275-W395 HydrophobicContact CE1-CH2 3.83Å; Y275-W395 HydrophobicContact CE1-CZ2 4.22Å; Y275-W395 HydrophobicContact CE1-CZ3 4.08Å; R276-W395 HydrophobicContact CB-CZ3 4.2Å; R276-W395 HydrophobicContact CG-CZ3 4.15Å; R276-W395 PolarHBondContact NH1-O 3.19Å; L384-W395 HydrophobicContact CD1-CZ2 3.82Å; V387-W395 HydrophobicContact CG1-CB 3.72Å; V387-W395 HydrophobicContact CG1-CD2 3.93Å; V387-W395 HydrophobicContact CG1-CE3 4.02Å; V387-W395 HydrophobicContact CG1-CG 3.81Å; G392-W395 WeakPolarHBondContact O-CB 3.48Å; G392-W395 PolarHBondContact O-N 2.81Å; W395-V397 VanDerWaalsContact C-N 3.29Å; W395-V397 PolarHBondContact O-N 3.49Å |
| 396 | S | 95.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -10.8 | 179.5 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | F227 T394 | F227-S396 VanDerWaalsContact CE2-O 3.22Å; F227-S396 WeakPolarHBondContact CE2-O 3.31Å; T394-S396 PolarHBondContact O-N 3.29Å |
| 397 | V | 96 | Very high | 95.5 | Very high | 65 Ų | 65 | 61 Ų | 61 | 39% | 0.394 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -93.8 | 126.7 | 177.2 | -177 | 0 | 0 | 0 | 0 | 109.4 | T394 W395 V399 | T394-V397 WeakPolarHBondContact O-CB 3.38Å; T394-V397 PolarHBondContact O-N 3.04Å; W395-V397 VanDerWaalsContact C-N 3.29Å; W395-V397 PolarHBondContact O-N 3.49Å; V397-V399 PolarHBondContact O-N 3.07Å |
| 398 | P | 95 | Very high | 95.4 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | trans | -62.9 | 130.8 | 177.8 | -24.8 | 35.9 | 0 | 0 | 0 | 112.9 | F227 Y231 | F227-P398 HydrophobicContact CE2-CG 3.86Å; F227-P398 HydrophobicContact CZ-CG 3.8Å; Y231-P398 HydrophobicContact CD1-CG 3.65Å; Y231-P398 HydrophobicContact CD2-CG 3.89Å; Y231-P398 HydrophobicContact CE1-CG 4.04Å; Y231-P398 HydrophobicContact CE2-CG 4.25Å; Y231-P398 HydrophobicContact CG-CG 3.55Å | ||
| 399 | V | 93.1 | Very high | 95.4 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | trans | -120.9 | 116.5 | 172.9 | -179 | 0 | 0 | 0 | 0 | 108.4 | V397 S401 W402 | V397-V399 PolarHBondContact O-N 3.07Å; V399-S401 VanDerWaalsContact CG1-O 3.26Å; V399-S401 WeakPolarHBondContact CG1-O 3.18Å; V399-W402 HydrophobicContact CB-CE3 4.34Å; V399-W402 HydrophobicContact CG1-CE3 4.06Å | ||
| 400 | K | 90.4 | Very high | 95.4 | Very high | 176 Ų | 176 | 61.4 Ų | 61.4 | 77% | 0.765 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -93.1 | -22.7 | -178.3 | -66.3 | -175.8 | 178.8 | -178 | 0 | 113.7 | Y283 | Y283-K400 HydrophobicContact CD2-CG 4.28Å; Y283-K400 HydrophobicContact CE1-CG 4.45Å; Y283-K400 HydrophobicContact CE2-CG 4.15Å; Y283-K400 HydrophobicContact CG-CG 4.5Å |
| 401 | S | 92.8 | Very high | 95.4 | Very high | 106 Ų | 106 | 62.2 Ų | 62.2 | 74% | 0.741 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -101.5 | 103.3 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | V399 | V399-S401 VanDerWaalsContact CG1-O 3.26Å; V399-S401 WeakPolarHBondContact CG1-O 3.18Å |
| 402 | W | 92.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 65 Ų | 65 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | trans | -126 | 123.4 | -175 | -170.4 | -99.3 | 0 | 0 | 0 | 110.4 | Y391 V399 P408 | Y391-W402 AromaticContact CD1-CH2 3.36Å; Y391-W402 HydrophobicContact CD1-CH2 3.36Å; Y391-W402 AromaticContact CD1-CZ2 3.74Å; Y391-W402 HydrophobicContact CD1-CZ2 3.74Å; Y391-W402 AromaticContact CD1-CZ3 3.99Å; Y391-W402 HydrophobicContact CD1-CZ3 3.99Å; Y391-W402 AromaticContact CE1-CH2 3.7Å; Y391-W402 HydrophobicContact CE1-CH2 3.7Å; Y391-W402 AromaticContact CE1-CZ2 3.57Å; Y391-W402 HydrophobicContact CE1-CZ2 3.57Å; Y391-W402 HydrophobicContact CE1-CZ3 4.36Å; Y391-W402 HydrophobicContact CG-CH2 4.37Å; V399-W402 HydrophobicContact CB-CE3 4.34Å; V399-W402 HydrophobicContact CG1-CE3 4.06Å; W402-P408 HydrophobicContact CH2-CG 4.49Å; W402-P408 HydrophobicContact CZ2-CB 4.23Å; W402-P408 HydrophobicContact CZ2-CG 3.6Å | ||
| 403 | D | 94.8 | Very high | 95.4 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 35% | 0.348 | 40% | 0.401 | S | S | . | . | trans | -106.9 | 110.8 | 167.8 | 174.4 | 16.7 | 0 | 0 | 0 | 108.7 | K405 S406 S407 P408 | D403-K405 PolarHBondContact O-N 3.09Å; D403-K405 PolarHBondContact OD1-N 3.49Å; D403-K405 VanDerWaalsContact OD1-N 3.11Å; D403-S406 WeakPolarHBondContact CB-OG 3.25Å; D403-S406 VanDerWaalsContact CG-OG 3.3Å; D403-S406 PolarHBondContact O-N 2.91Å; D403-S406 PolarHBondContact OD2-OG 3.3Å; D403-S407 PolarHBondContact N-OG 3.34Å; D403-S407 VanDerWaalsContact O-CB 3.27Å; D403-S407 WeakPolarHBondContact O-CB 3.18Å; D403-S407 PolarHBondContact O-N 3.32Å; D403-S407 PolarHBondContact O-OG 3.4Å; D403-P408 WeakPolarHBondContact O-CD 3.34Å | ||
| 404 | W | 93.9 | Very high | 95.4 | Very high | 102 Ų | 102 | 70.2 Ų | 70.2 | 39% | 0.386 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.3 | -177.8 | 62.4 | -92.2 | 0 | 0 | 0 | 113.3 | Q351 F358 Y360 P408 | Q351-W404 HydrophobicContact CB-CH2 4.17Å; Q351-W404 HydrophobicContact CB-CZ2 4.47Å; F358-W404 AromaticContact CD2-CH2 3.99Å; F358-W404 HydrophobicContact CD2-CH2 3.99Å; F358-W404 AromaticContact CD2-CZ3 3.69Å; F358-W404 HydrophobicContact CD2-CZ3 3.69Å; F358-W404 HydrophobicContact CE2-CH2 4.17Å; F358-W404 HydrophobicContact CE2-CZ3 4.25Å; F358-W404 HydrophobicContact CG-CZ3 4.25Å; Y360-W404 WeakPolarHBondContact CE1-O 3.19Å; Y360-W404 PolarHBondContact OH-O 3Å; W404-P408 WeakPolarHBondContact O-CD 3.38Å; W404-P408 WeakPolarHBondContact O-CG 3.46Å |
| 405 | K | 94.7 | Very high | 95.4 | Very high | 45 Ų | 45 | 67.8 Ų | 67.8 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -15.9 | -179.8 | -71.1 | 173 | -91.7 | -151.8 | 0 | 115.1 | Q351 F358 D403 V411 | Q351-K405 HydrophobicContact CB-CD 4.38Å; Q351-K405 VanDerWaalsContact CD-NZ 3.29Å; F358-K405 HydrophobicContact CD1-CB 4.28Å; F358-K405 HydrophobicContact CD1-CG 4.26Å; F358-K405 HydrophobicContact CD2-CD 4.31Å; F358-K405 HydrophobicContact CD2-CG 3.95Å; F358-K405 HydrophobicContact CE1-CB 3.79Å; F358-K405 HydrophobicContact CE1-CD 4.32Å; F358-K405 HydrophobicContact CE1-CG 3.88Å; F358-K405 HydrophobicContact CE2-CB 4.39Å; F358-K405 HydrophobicContact CE2-CD 3.51Å; F358-K405 HydrophobicContact CE2-CG 3.58Å; F358-K405 HydrophobicContact CG-CG 4.29Å; F358-K405 HydrophobicContact CZ-CB 3.86Å; F358-K405 HydrophobicContact CZ-CD 3.51Å; F358-K405 HydrophobicContact CZ-CG 3.53Å; D403-K405 PolarHBondContact O-N 3.09Å; D403-K405 PolarHBondContact OD1-N 3.49Å; D403-K405 VanDerWaalsContact OD1-N 3.11Å; K405-V411 WeakPolarHBondContact O-CG1 3.3Å |
| 406 | S | 95.4 | Very high | 95.5 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 56% | 0.559 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.4 | -25 | -169.4 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | D403 | D403-S406 WeakPolarHBondContact CB-OG 3.25Å; D403-S406 VanDerWaalsContact CG-OG 3.3Å; D403-S406 PolarHBondContact O-N 2.91Å; D403-S406 PolarHBondContact OD2-OG 3.3Å |
| 407 | S | 96.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 68.3 Ų | 68.3 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -77.8 | -37.1 | 179.2 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | D403 S409 | D403-S407 PolarHBondContact N-OG 3.34Å; D403-S407 VanDerWaalsContact O-CB 3.27Å; D403-S407 WeakPolarHBondContact O-CB 3.18Å; D403-S407 PolarHBondContact O-N 3.32Å; D403-S407 PolarHBondContact O-OG 3.4Å; S407-S409 PolarHBondContact O-N 3.05Å |
| 408 | P | 97.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 68.3 Ų | 68.3 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -59.2 | 134.4 | 175.3 | -28.9 | 38.1 | 0 | 0 | 0 | 112.8 | Y360 N390 W402 D403 W404 N410 V411 | Y360-P408 HydrophobicContact CD1-CB 4.12Å; Y360-P408 HydrophobicContact CD1-CG 4.43Å; Y360-P408 HydrophobicContact CE1-CB 3.92Å; Y360-P408 HydrophobicContact CE1-CG 3.81Å; N390-P408 CarbonylContact O-C 3.5Å; N390-P408 WeakPolarHBondContact O-CA 3.44Å; W402-P408 HydrophobicContact CH2-CG 4.49Å; W402-P408 HydrophobicContact CZ2-CB 4.23Å; W402-P408 HydrophobicContact CZ2-CG 3.6Å; D403-P408 WeakPolarHBondContact O-CD 3.34Å; W404-P408 WeakPolarHBondContact O-CD 3.38Å; W404-P408 WeakPolarHBondContact O-CG 3.46Å; P408-N410 PolarHBondContact O-N 3.03Å; P408-V411 HydrophobicContact CB-CB 4.08Å; P408-V411 HydrophobicContact CB-CG1 4.21Å; P408-V411 VanDerWaalsContact O-CG1 3.31Å; P408-V411 WeakPolarHBondContact O-CG1 3.46Å; P408-V411 PolarHBondContact O-N 3.33Å |
| 409 | S | 97.1 | Very high | 95.7 | Very high | 83 Ų | 83 | 72.1 Ų | 72.1 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.9 | -179 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | N390 G392 S407 | N390-S409 PolarHBondContact O-N 2.88Å; G392-S409 WeakPolarHBondContact CA-OG 3.34Å; G392-S409 PolarHBondContact N-OG 3.11Å; S407-S409 PolarHBondContact O-N 3.05Å |
| 410 | N | 97.7 | Very high | 95.9 | Very high | 18 Ų | 18 | 73.8 Ų | 73.8 | 10% | 0.096 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 10.3 | -176.4 | 66 | -19.4 | 0 | 0 | 0 | 114.8 | Y360 V361 F362 A389 N390 P408 | Y360-N410 WeakPolarHBondContact CA-O 3.31Å; V361-N410 PolarHBondContact N-O 3.3Å; V361-N410 WeakPolarHBondContact O-CB 3.3Å; V361-N410 PolarHBondContact O-ND2 3.03Å; F362-N410 WeakPolarHBondContact CE1-ND2 3.21Å; F362-N410 WeakPolarHBondContact CZ-ND2 3.39Å; A389-N410 WeakPolarHBondContact O-CB 3.27Å; A389-N410 VanDerWaalsContact O-CG 3.28Å; A389-N410 PolarHBondContact O-N 2.73Å; N390-N410 WeakPolarHBondContact CA-OD1 3.45Å; N390-N410 PolarHBondContact ND2-OD1 3.5Å; P408-N410 PolarHBondContact O-N 3.03Å |
| 411 | V | 98 | Very high | 96.2 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134.4 | 178.1 | 70.7 | 0 | 0 | 0 | 0 | 111 | F358 K359 Y360 K405 P408 | F358-V411 HydrophobicContact CB-CG2 3.88Å; F358-V411 HydrophobicContact CD1-CG2 3.9Å; F358-V411 HydrophobicContact CG-CG2 4.29Å; K359-V411 WeakPolarHBondContact O-CA 3.44Å; Y360-V411 HydrophobicContact CD1-CB 3.84Å; Y360-V411 HydrophobicContact CD1-CG2 4.01Å; Y360-V411 HydrophobicContact CE1-CB 3.5Å; Y360-V411 HydrophobicContact CE1-CG2 3.39Å; Y360-V411 HydrophobicContact CE2-CG2 4.37Å; K405-V411 WeakPolarHBondContact O-CG1 3.3Å; P408-V411 HydrophobicContact CB-CB 4.08Å; P408-V411 HydrophobicContact CB-CG1 4.21Å; P408-V411 VanDerWaalsContact O-CG1 3.31Å; P408-V411 WeakPolarHBondContact O-CG1 3.46Å; P408-V411 PolarHBondContact O-N 3.33Å |
| 412 | I | 97.4 | Very high | 96.4 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 46% | 0.456 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.4 | 170.5 | 63.4 | 177.3 | 0 | 0 | 0 | 109.9 | F358 K359 V361 | F358-I412 CarbonylContact C-O 3.55Å; F358-I412 VanDerWaalsContact CA-O 3.31Å; F358-I412 WeakPolarHBondContact CA-O 3.45Å; K359-I412 HydrophobicContact CB-CD1 4.32Å; K359-I412 HydrophobicContact CB-CG1 3.83Å; K359-I412 HydrophobicContact CD-CD1 4.34Å; K359-I412 HydrophobicContact CG-CG1 4.47Å; K359-I412 PolarHBondContact N-O 2.73Å; K359-I412 WeakPolarHBondContact O-CG1 3.35Å; K359-I412 PolarHBondContact O-N 3.04Å; V361-I412 HydrophobicContact CG2-CD1 4.34Å |
| 413 | E | 97 | Very high | 96.5 | Very high | 136 Ų | 136 | 67.4 Ų | 67.4 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.8 | 170.1 | -60.9 | -166 | -164.8 | 0 | 0 | 110.1 | R356 F358 | R356-E413 IonicContact CZ-OE1 3.97Å; R356-E413 IonicContact CZ-OE2 3.79Å; R356-E413 IonicContact NH2-OE1 2.69Å; R356-E413 PolarHBondContact NH2-OE1 2.95Å; R356-E413 IonicContact NH2-OE2 2.73Å; R356-E413 PolarHBondContact NH2-OE2 2.85Å; F358-E413 HydrophobicContact CE1-CG 4.25Å |
| 414 | N | 96.1 | Very high | 96.5 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 34.1 | -174.2 | -165.4 | 35.1 | 0 | 0 | 0 | 112.3 | K357 K359 | K357-N414 HydrophobicContact CB-CB 4.08Å; K357-N414 WeakPolarHBondContact CB-O 3.16Å; K357-N414 PolarHBondContact O-N 3.19Å; K359-N414 HydrophobicContact CB-CB 3.88Å |
| 415 | G | 96.6 | Very high | 96.6 | Very high | 46 Ų | 46 | 62 Ų | 62 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.3 | -157 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K357 | K357-G415 PolarHBondContact N-O 3.48Å |
| 416 | V | 97.6 | Very high | 96.7 | Very high | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.527 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140.4 | -176 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | G355 R356 | G355-V416 WeakPolarHBondContact O-CA 3.5Å; R356-V416 HydrophobicContact CG-CG2 4.13Å |
| 417 | W | 97.8 | Very high | 96.8 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 5% | 0.045 | 37% | 0.37 | C | S | . | . | trans | -64.8 | 136.7 | 172 | -68.3 | 121.2 | 0 | 0 | 0 | 111.5 | K317 D320 T350 G355 K357 V419 W422 L425 | K317-W417 HydrophobicContact CG-CH2 4.38Å; D320-W417 HydrophobicContact CB-CH2 3.83Å; D320-W417 VanDerWaalsContact CG-CH2 3.42Å; D320-W417 WeakPolarHBondContact O-CH2 3.37Å; D320-W417 VanDerWaalsContact OD2-CH2 3.32Å; D320-W417 WeakPolarHBondContact OD2-CH2 3.2Å; T350-W417 PolarHBondContact OG1-NE1 2.69Å; T350-W417 VanDerWaalsContact OG1-NE1 3.07Å; G355-W417 PolarHBondContact O-N 2.98Å; K357-W417 HydrophobicContact CD-CD2 3.65Å; K357-W417 HydrophobicContact CD-CE3 3.95Å; K357-W417 HydrophobicContact CD-CG 4.18Å; K357-W417 HydrophobicContact CD-CH2 4.13Å; K357-W417 HydrophobicContact CD-CZ2 3.82Å; K357-W417 HydrophobicContact CD-CZ3 4.17Å; K357-W417 VanDerWaalsContact CE-CZ2 3.49Å; K357-W417 HydrophobicContact CG-CD2 4.04Å; K357-W417 HydrophobicContact CG-CG 4.14Å; K357-W417 HydrophobicContact CG-CZ2 4.24Å; W417-V419 PolarHBondContact O-N 2.75Å; W417-W422 PolarHBondContact O-NE1 3.08Å; W417-L425 HydrophobicContact CD2-CD1 3.72Å; W417-L425 HydrophobicContact CE3-CD1 3.41Å; W417-L425 VanDerWaalsContact CE3-CD1 3.41Å; W417-L425 HydrophobicContact CG-CD1 4.24Å; W417-L425 HydrophobicContact CH2-CD1 4.42Å; W417-L425 HydrophobicContact CZ3-CD1 3.81Å | ||
| 418 | P | 96.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | trans | -57.4 | 131.2 | 171.9 | -24.2 | 35.3 | 0 | 0 | 0 | 111 | A420 E421 | P418-A420 PolarHBondContact O-N 3.02Å; P418-A420 VanDerWaalsContact O-N 3.12Å; P418-E421 HydrophobicContact CB-CG 4.42Å; P418-E421 PolarHBondContact O-N 2.9Å | ||
| 419 | V | 96.4 | Very high | 96.5 | Very high | 113 Ų | 113 | 70.1 Ų | 70.1 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -55 | -36.2 | -175.7 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | W417 E421 W422 | W417-V419 PolarHBondContact O-N 2.75Å; V419-E421 PolarHBondContact O-N 3.42Å; V419-W422 HydrophobicContact CG2-CZ2 4.35Å; V419-W422 PolarHBondContact O-N 2.95Å |
| 420 | A | 97.1 | Very high | 96.4 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 85% | 0.851 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -62 | -23 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P418 | P418-A420 PolarHBondContact O-N 3.02Å; P418-A420 VanDerWaalsContact O-N 3.12Å |
| 421 | E | 96.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 72.2 Ų | 72.2 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -97.6 | -7.3 | -178.3 | -64.7 | 179.8 | -128.8 | 0 | 0 | 113 | P418 V419 A423 G424 L425 | P418-E421 HydrophobicContact CB-CG 4.42Å; P418-E421 PolarHBondContact O-N 2.9Å; V419-E421 PolarHBondContact O-N 3.42Å; E421-A423 VanDerWaalsContact C-N 3.28Å; E421-A423 PolarHBondContact O-N 2.85Å; E421-G424 PolarHBondContact O-N 3.31Å; E421-L425 HydrophobicContact CB-CD1 3.61Å; E421-L425 HydrophobicContact CB-CG 4.1Å; E421-L425 WeakPolarHBondContact O-CG 3.5Å; E421-L425 PolarHBondContact O-N 3.46Å |
| 422 | W | 96.6 | Very high | 96.3 | Very high | 71 Ų | 71 | 74.8 Ų | 74.8 | 27% | 0.269 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56.8 | -38.9 | -172.9 | -77.8 | 22.2 | 0 | 0 | 0 | 113.4 | S354 W417 V419 G424 L425 I426 | S354-W422 VanDerWaalsContact C-CH2 3.4Å; S354-W422 VanDerWaalsContact C-CZ2 3.42Å; S354-W422 VanDerWaalsContact O-CZ2 3.3Å; S354-W422 WeakPolarHBondContact O-CZ2 3.5Å; W417-W422 PolarHBondContact O-NE1 3.08Å; V419-W422 HydrophobicContact CG2-CZ2 4.35Å; V419-W422 PolarHBondContact O-N 2.95Å; W422-G424 PolarHBondContact O-N 3.34Å; W422-L425 PolarHBondContact O-N 3.5Å; W422-I426 HydrophobicContact CB-CD1 4.38Å; W422-I426 HydrophobicContact CD2-CD1 3.95Å; W422-I426 HydrophobicContact CE3-CD1 4.36Å; W422-I426 HydrophobicContact CG-CD1 3.93Å; W422-I426 WeakPolarHBondContact O-CA 3.26Å; W422-I426 WeakPolarHBondContact O-CB 3.22Å; W422-I426 PolarHBondContact O-N 2.67Å |
| 423 | A | 95 | Very high | 96.2 | Very high | 90 Ų | 90 | 74 Ų | 74 | 74% | 0.744 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.2 | -30.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | E421 | E421-A423 VanDerWaalsContact C-N 3.28Å; E421-A423 PolarHBondContact O-N 2.85Å |
| 424 | G | 95.2 | Very high | 96.2 | Very high | 38 Ų | 38 | 70.1 Ų | 70.1 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -88.8 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E421 W422 Q427 | E421-G424 PolarHBondContact O-N 3.31Å; W422-G424 PolarHBondContact O-N 3.34Å; G424-Q427 PolarHBondContact O-NE2 3.46Å |
| 425 | L | 96.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 7% | 0.073 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -101.4 | -12.2 | -170 | -58.3 | -179.9 | 0 | 0 | 0 | 114.7 | F315 G316 K317 W417 E421 W422 | F315-L425 CarbonylContact C-O 3.57Å; F315-L425 VanDerWaalsContact CA-O 3.25Å; F315-L425 WeakPolarHBondContact CA-O 3.4Å; G316-L425 PolarHBondContact N-O 2.84Å; K317-L425 HydrophobicContact CB-CD2 3.78Å; K317-L425 HydrophobicContact CD-CD2 3.82Å; K317-L425 HydrophobicContact CG-CD2 4.03Å; W417-L425 HydrophobicContact CD2-CD1 3.72Å; W417-L425 HydrophobicContact CE3-CD1 3.41Å; W417-L425 VanDerWaalsContact CE3-CD1 3.41Å; W417-L425 HydrophobicContact CG-CD1 4.24Å; W417-L425 HydrophobicContact CH2-CD1 4.42Å; W417-L425 HydrophobicContact CZ3-CD1 3.81Å; E421-L425 HydrophobicContact CB-CD1 3.61Å; E421-L425 HydrophobicContact CB-CG 4.1Å; E421-L425 WeakPolarHBondContact O-CG 3.5Å; E421-L425 PolarHBondContact O-N 3.46Å; W422-L425 PolarHBondContact O-N 3.5Å |
| 426 | I | 97.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.128 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 82.7 | -178 | -51.4 | -179.9 | 0 | 0 | 0 | 108.3 | F315 T350 A352 W422 | F315-I426 HydrophobicContact CD1-CG2 4.09Å; F315-I426 HydrophobicContact CE1-CG2 3.9Å; T350-I426 HydrophobicContact CG2-CD1 4.12Å; T350-I426 HydrophobicContact CG2-CG1 4.04Å; A352-I426 HydrophobicContact CB-CG2 3.67Å; W422-I426 HydrophobicContact CB-CD1 4.38Å; W422-I426 HydrophobicContact CD2-CD1 3.95Å; W422-I426 HydrophobicContact CE3-CD1 4.36Å; W422-I426 HydrophobicContact CG-CD1 3.93Å; W422-I426 WeakPolarHBondContact O-CA 3.26Å; W422-I426 WeakPolarHBondContact O-CB 3.22Å; W422-I426 PolarHBondContact O-N 2.67Å |
| 427 | Q | 97.3 | Very high | 96 | Very high | 47 Ų | 47 | 72.1 Ų | 72.1 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.6 | -177.2 | -59.7 | 178.5 | -9.6 | 0 | 0 | 110.1 | H313 Q314 G424 Y429 | H313-Q427 VanDerWaalsContact CA-O 3.3Å; H313-Q427 WeakPolarHBondContact CA-O 3.3Å; Q314-Q427 HydrophobicContact CB-CB 4.23Å; Q314-Q427 PolarHBondContact N-O 2.64Å; Q314-Q427 PolarHBondContact O-N 2.57Å; G424-Q427 PolarHBondContact O-NE2 3.46Å; Q427-Y429 HydrophobicContact CB-CD2 4.47Å; Q427-Y429 HydrophobicContact CB-CE2 3.66Å; Q427-Y429 PolarHBondContact OE1-OH 2.95Å |
| 428 | V | 94.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 77.1 Ų | 77.1 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.4 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 107 | F315 | F315-V428 HydrophobicContact CE1-CG2 4.07Å; F315-V428 HydrophobicContact CZ-CG2 4.34Å |
| 429 | Y | 91.3 | Very high | 95.8 | Very high | 181 Ų | 181 | 78.2 Ų | 78.2 | 71% | 0.71 | 46% | 0.458 | S | S | * | . | trans | -108.1 | 0 | -171.3 | -67.1 | -87.2 | 0 | 0 | 0 | 112.9 | L311 K312 Q427 | L311-Y429 HydrophobicContact CD2-CD2 3.96Å; L311-Y429 HydrophobicContact CD2-CE2 3.45Å; L311-Y429 VanDerWaalsContact CD2-CE2 3.45Å; L311-Y429 HydrophobicContact CG-CD2 4.03Å; L311-Y429 HydrophobicContact CG-CE2 4.02Å; L311-Y429 WeakPolarHBondContact O-CB 3.12Å; K312-Y429 PolarHBondContact O-N 3.18Å; Q427-Y429 HydrophobicContact CB-CD2 4.47Å; Q427-Y429 HydrophobicContact CB-CE2 3.66Å; Q427-Y429 PolarHBondContact OE1-OH 2.95Å |
Retrieved 429 of 429 residues in 666.3 ms
(Link to these results)