| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.5 | Very low | 44.8 | Very low | 239 Ų | 239 | 138.1 Ų | 138.1 | 100% | 1.177 | 73% | 0.732 | S | S | * | * | 0 | 138.5 | 0 | -142.9 | 147.9 | 171.6 | 0 | 0 | 107.2 | |||||
| 2 | S | 31.1 | Very low | 46.2 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | trans | 11.6 | 129.2 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 3 | F | 37.7 | Very low | 47.2 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | -51 | 151.4 | 156.9 | -75.4 | -110 | 0 | 0 | 0 | 112.6 | K5 | F3-K5 HydrophobicContact CD1-CB 4.07Š| ||
| 4 | H | 32.3 | Very low | 48.8 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 88% | 0.884 | 70% | 0.695 | S | S | * | * | -134.8 | 125.7 | 114.1 | -111.7 | -75.7 | 0 | 0 | 0 | 110.4 | |||||
| 5 | K | 44.8 | Very low | 50.1 | Low | 168 Ų | 168 | 131.7 Ų | 131.7 | 73% | 0.73 | 69% | 0.69 | S | S | * | * | trans | -124.4 | 101.5 | 177.4 | 166.9 | -165.9 | 175.8 | -176 | 0 | 104.7 | F3 | F3-K5 HydrophobicContact CD1-CB 4.07Š| ||
| 6 | E | 46.5 | Very low | 51.4 | Low | 182 Ų | 182 | 125.8 Ų | 125.8 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | 179.6 | 94.6 | 160.7 | -107 | 161.5 | -148.6 | 0 | 0 | 110.1 | ||||
| 7 | D | 43.3 | Very low | 52.8 | Low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | trans | -151.5 | 36.5 | 159.6 | -107.1 | -31.1 | 0 | 0 | 0 | 109.1 | ||||
| 8 | G | 51.6 | Low | 53.8 | Low | 55 Ų | 55 | 124.9 Ų | 124.9 | 57% | 0.567 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -83.7 | 122.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N10 | G8-N10 PolarHBondContact O-N 2.61Š|
| 9 | V | 54.3 | Low | 54.7 | Low | 101 Ų | 101 | 120.1 Ų | 120.1 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 63.4 | -51.5 | 171 | -171.4 | 0 | 0 | 0 | 0 | 115.6 | G11 L12 C13 | V9-G11 PolarHBondContact O-N 3.43Å; V9-L12 WeakPolarHBondContact O-CB 3.13Å; V9-L12 PolarHBondContact O-N 3.19Å; V9-C13 PolarHBondContact O-N 2.77Å |
| 10 | N | 55.1 | Low | 55.7 | Low | 130 Ų | 130 | 118.4 Ų | 118.4 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.4 | -45.2 | -178.8 | -72.6 | -16 | 0 | 0 | 0 | 112.2 | G8 L12 C13 Q14 | G8-N10 PolarHBondContact O-N 2.61Å; N10-L12 VanDerWaalsContact C-N 3.28Å; N10-L12 PolarHBondContact O-N 3.34Å; N10-C13 PolarHBondContact O-N 2.91Å; N10-Q14 VanDerWaalsContact O-CB 3.31Å; N10-Q14 WeakPolarHBondContact O-CB 3.46Å; N10-Q14 PolarHBondContact O-N 2.94Å |
| 11 | G | 62.4 | Low | 56.7 | Low | 18 Ų | 18 | 116 Ų | 116 | 19% | 0.186 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -64.8 | -26.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V9 K15 | V9-G11 PolarHBondContact O-N 3.43Å; G11-K15 WeakPolarHBondContact O-CB 3.32Å; G11-K15 WeakPolarHBondContact O-CD 3.37Å; G11-K15 VanDerWaalsContact O-CG 3.25Å; G11-K15 WeakPolarHBondContact O-CG 3.44Å; G11-K15 PolarHBondContact O-N 3.11Å |
| 12 | L | 62 | Low | 58.3 | Low | 90 Ų | 90 | 108.5 Ų | 108.5 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.1 | -45.3 | 173.6 | -83 | 162.1 | 0 | 0 | 0 | 111.3 | V9 N10 Q14 K15 A16 I37 | V9-L12 WeakPolarHBondContact O-CB 3.13Å; V9-L12 PolarHBondContact O-N 3.19Å; N10-L12 VanDerWaalsContact C-N 3.28Å; N10-L12 PolarHBondContact O-N 3.34Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.44Å; L12-K15 PolarHBondContact O-N 2.99Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.11Å; L12-I37 HydrophobicContact CD2-CG1 4.29Å |
| 13 | C | 59.5 | Low | 60.3 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 52% | 0.52 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.2 | -39.5 | 174.8 | -71 | 0 | 0 | 0 | 0 | 112 | V9 N10 A16 L17 | V9-C13 PolarHBondContact O-N 2.77Å; N10-C13 PolarHBondContact O-N 2.91Å; C13-A16 PolarHBondContact O-N 3.36Å; C13-L17 WeakPolarHBondContact O-CB 3.42Å; C13-L17 PolarHBondContact O-N 3.02Å |
| 14 | Q | 68.8 | Low | 61.5 | Low | 147 Ų | 147 | 104 Ų | 104 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.6 | -37.7 | 179.1 | -156.3 | 170.7 | 16.2 | 0 | 0 | 112 | N10 L12 H18 | N10-Q14 VanDerWaalsContact O-CB 3.31Å; N10-Q14 WeakPolarHBondContact O-CB 3.46Å; N10-Q14 PolarHBondContact O-N 2.94Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.44Å; Q14-H18 PolarHBondContact O-N 3.5Å |
| 15 | K | 68.8 | Low | 63.1 | Low | 143 Ų | 143 | 103.8 Ų | 103.8 | 62% | 0.622 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -42.5 | 170.8 | -75.9 | 172.7 | -177.6 | 174.9 | 0 | 112.4 | G11 L12 H18 I19 | G11-K15 WeakPolarHBondContact O-CB 3.32Å; G11-K15 WeakPolarHBondContact O-CD 3.37Å; G11-K15 VanDerWaalsContact O-CG 3.25Å; G11-K15 WeakPolarHBondContact O-CG 3.44Å; G11-K15 PolarHBondContact O-N 3.11Å; L12-K15 PolarHBondContact O-N 2.99Å; K15-H18 PolarHBondContact O-N 3.38Å; K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 3.3Å |
| 16 | A | 70.9 | Confident | 64.2 | Low | 36 Ų | 36 | 99.2 Ų | 99.2 | 30% | 0.298 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L12 C13 H18 I19 V20 I37 | L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.11Å; C13-A16 PolarHBondContact O-N 3.36Å; A16-H18 VanDerWaalsContact C-N 3.33Å; A16-H18 PolarHBondContact O-N 2.85Å; A16-I19 PolarHBondContact O-N 3.5Å; A16-V20 WeakPolarHBondContact O-CG2 3.22Å; A16-V20 PolarHBondContact O-N 2.95Å; A16-I37 HydrophobicContact CB-CD1 4.21Å |
| 17 | L | 74.4 | Confident | 64.5 | Low | 118 Ų | 118 | 93.1 Ų | 93.1 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 176.4 | -162.3 | 80.4 | 0 | 0 | 0 | 111.8 | C13 V20 T21 | C13-L17 WeakPolarHBondContact O-CB 3.42Å; C13-L17 PolarHBondContact O-N 3.02Å; L17-V20 PolarHBondContact O-N 2.92Å; L17-T21 WeakPolarHBondContact O-CB 3.47Å; L17-T21 PolarHBondContact O-N 3.37Å; L17-T21 PolarHBondContact O-OG1 3.03Å |
| 18 | H | 70.9 | Confident | 65.1 | Low | 118 Ų | 118 | 94.1 Ų | 94.1 | 55% | 0.546 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 175.7 | -167.6 | -53.7 | 0 | 0 | 0 | 111.8 | Q14 K15 A16 T21 E22 | Q14-H18 PolarHBondContact O-N 3.5Å; K15-H18 PolarHBondContact O-N 3.38Å; A16-H18 VanDerWaalsContact C-N 3.33Å; A16-H18 PolarHBondContact O-N 2.85Å; H18-T21 PolarHBondContact O-N 3.48Å; H18-E22 WeakPolarHBondContact O-CG 3.47Å; H18-E22 PolarHBondContact O-N 2.93Å |
| 19 | I | 72.4 | Confident | 65.7 | Low | 34 Ų | 34 | 93.7 Ų | 93.7 | 17% | 0.174 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 177.1 | -69.3 | 166 | 0 | 0 | 0 | 111.1 | K15 A16 T21 E22 L23 V29 I37 | K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 3.3Å; A16-I19 PolarHBondContact O-N 3.5Å; I19-T21 VanDerWaalsContact C-N 3.35Å; I19-E22 PolarHBondContact O-N 3.43Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 PolarHBondContact O-N 3.18Å; I19-V29 HydrophobicContact CG2-CG1 4.07Å; I19-V29 HydrophobicContact CG2-CG2 4.3Å; I19-I37 HydrophobicContact CD1-CD1 3.77Å |
| 20 | V | 74 | Confident | 66.2 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | A16 L17 L23 C24 | A16-V20 WeakPolarHBondContact O-CG2 3.22Å; A16-V20 PolarHBondContact O-N 2.95Å; L17-V20 PolarHBondContact O-N 2.92Å; V20-L23 PolarHBondContact O-N 3.42Å; V20-C24 PolarHBondContact O-N 2.98Å; V20-C24 PolarHBondContact O-SG 3.12Å; V20-C24 VanDerWaalsContact O-SG 3.39Å |
| 21 | T | 75.7 | Confident | 66.1 | Low | 69 Ų | 69 | 98.1 Ų | 98.1 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | L17 H18 I19 L23 C24 F25 | L17-T21 WeakPolarHBondContact O-CB 3.47Å; L17-T21 PolarHBondContact O-N 3.37Å; L17-T21 PolarHBondContact O-OG1 3.03Å; H18-T21 PolarHBondContact O-N 3.48Å; I19-T21 VanDerWaalsContact C-N 3.35Å; T21-L23 VanDerWaalsContact C-N 3.34Å; T21-L23 PolarHBondContact O-N 2.96Å; T21-C24 PolarHBondContact O-N 3.48Å; T21-F25 HydrophobicContact CG2-CD2 3.89Å; T21-F25 HydrophobicContact CG2-CE2 4.15Å; T21-F25 WeakPolarHBondContact O-CD2 3.43Å; T21-F25 PolarHBondContact O-N 3.44Å; T21-F25 VanDerWaalsContact O-N 3.08Å |
| 22 | E | 68.9 | Low | 66.1 | Low | 81 Ų | 81 | 105 Ų | 105 | 38% | 0.379 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -58.5 | -44.6 | 173.9 | -72.3 | -101.5 | 104.1 | 0 | 0 | 111.6 | H18 I19 C24 F25 A26 V29 | H18-E22 WeakPolarHBondContact O-CG 3.47Å; H18-E22 PolarHBondContact O-N 2.93Å; I19-E22 PolarHBondContact O-N 3.43Å; E22-C24 VanDerWaalsContact C-N 3.33Å; E22-C24 PolarHBondContact O-N 3.08Å; E22-F25 PolarHBondContact O-N 3.34Å; E22-A26 WeakPolarHBondContact O-CB 3.3Å; E22-A26 PolarHBondContact O-N 3.43Å; E22-V29 HydrophobicContact CB-CG2 4.18Å |
| 23 | L | 71.8 | Confident | 66 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.9 | -40.8 | 176.9 | -117.4 | 152.8 | 0 | 0 | 0 | 112.5 | I19 V20 T21 G27 V29 | I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 PolarHBondContact O-N 3.18Å; V20-L23 PolarHBondContact O-N 3.42Å; T21-L23 VanDerWaalsContact C-N 3.34Å; T21-L23 PolarHBondContact O-N 2.96Å; L23-G27 WeakPolarHBondContact O-CA 3.44Å; L23-G27 PolarHBondContact O-N 3.24Å; L23-V29 HydrophobicContact CB-CG2 4.18Å; L23-V29 HydrophobicContact CD1-CB 4.3Å; L23-V29 HydrophobicContact CD1-CG2 3.94Å; L23-V29 HydrophobicContact CG-CB 4.29Å; L23-V29 HydrophobicContact CG-CG2 3.69Å |
| 24 | C | 63.4 | Low | 65.9 | Low | 101 Ų | 101 | 103.7 Ų | 103.7 | 68% | 0.682 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.1 | -28 | -179.9 | -72.9 | 0 | 0 | 0 | 0 | 114.3 | V20 T21 E22 | V20-C24 PolarHBondContact O-N 2.98Å; V20-C24 PolarHBondContact O-SG 3.12Å; V20-C24 VanDerWaalsContact O-SG 3.39Å; T21-C24 PolarHBondContact O-N 3.48Å; E22-C24 VanDerWaalsContact C-N 3.33Å; E22-C24 PolarHBondContact O-N 3.08Å |
| 25 | F | 66.3 | Low | 65.3 | Low | 186 Ų | 186 | 102.1 Ų | 102.1 | 82% | 0.816 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -100.4 | -33.5 | -178.6 | -81.3 | -78.4 | 0 | 0 | 0 | 114.4 | T21 E22 | T21-F25 HydrophobicContact CG2-CD2 3.89Å; T21-F25 HydrophobicContact CG2-CE2 4.15Å; T21-F25 WeakPolarHBondContact O-CD2 3.43Å; T21-F25 PolarHBondContact O-N 3.44Å; T21-F25 VanDerWaalsContact O-N 3.08Å; E22-F25 PolarHBondContact O-N 3.34Å |
| 26 | A | 67.4 | Low | 64.8 | Low | 71 Ų | 71 | 98.4 Ų | 98.4 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -108.4 | -14.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E22 Q28 | E22-A26 WeakPolarHBondContact O-CB 3.3Å; E22-A26 PolarHBondContact O-N 3.43Å; A26-Q28 PolarHBondContact O-N 2.8Å; A26-Q28 VanDerWaalsContact O-N 3.12Å |
| 27 | G | 53.8 | Low | 64.2 | Low | 55 Ų | 55 | 99.1 Ų | 99.1 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 73 | -3.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L23 | L23-G27 WeakPolarHBondContact O-CA 3.44Å; L23-G27 PolarHBondContact O-N 3.24Å |
| 28 | Q | 55.6 | Low | 63 | Low | 170 Ų | 170 | 101 Ų | 101 | 79% | 0.794 | 54% | 0.535 | S | S | * | . | trans | -138.8 | 149.1 | 172.5 | -68.3 | -170.9 | -75.7 | 0 | 0 | 110.8 | A26 | A26-Q28 PolarHBondContact O-N 2.8Å; A26-Q28 VanDerWaalsContact O-N 3.12Å | ||
| 29 | V | 63.5 | Low | 61.7 | Low | 47 Ų | 47 | 101.4 Ų | 101.4 | 29% | 0.285 | 55% | 0.548 | S | S | . | . | trans | -134.9 | 134.2 | 174.4 | 157.8 | 0 | 0 | 0 | 0 | 109.5 | I19 E22 L23 | I19-V29 HydrophobicContact CG2-CG1 4.07Å; I19-V29 HydrophobicContact CG2-CG2 4.3Å; E22-V29 HydrophobicContact CB-CG2 4.18Å; L23-V29 HydrophobicContact CB-CG2 4.18Å; L23-V29 HydrophobicContact CD1-CB 4.3Å; L23-V29 HydrophobicContact CD1-CG2 3.94Å; L23-V29 HydrophobicContact CG-CB 4.29Å; L23-V29 HydrophobicContact CG-CG2 3.69Å | ||
| 30 | E | 63.7 | Low | 59.9 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | trans | -74.8 | 129.9 | 176.4 | -68.1 | 173 | 130.2 | 0 | 0 | 111.5 | E32 K33 | E30-E32 VanDerWaalsContact C-N 3.27Å; E30-E32 PolarHBondContact O-N 2.89Å; E30-K33 HydrophobicContact CB-CD 4.42Å; E30-K33 PolarHBondContact O-N 3.44Å; E30-K33 VanDerWaalsContact OE2-CE 3.31Å; E30-K33 WeakPolarHBondContact OE2-CE 3.35Å; E30-K33 IonicContact OE2-NZ 3.53Å; E30-K33 PolarHBondContact OE2-NZ 3.38Å | ||
| 31 | W | 54.4 | Low | 58.1 | Low | 197 Ų | 197 | 113.3 Ų | 113.3 | 75% | 0.746 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -58.2 | -33.8 | -174.2 | 177.6 | -106.8 | 0 | 0 | 0 | 114.1 | K33 C34 | W31-K33 PolarHBondContact O-N 3.2Å; W31-C34 WeakPolarHBondContact O-CB 3.3Å; W31-C34 PolarHBondContact O-N 3.48Å |
| 32 | E | 61.5 | Low | 56.2 | Low | 163 Ų | 163 | 120.1 Ų | 120.1 | 76% | 0.762 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -62.9 | -30 | -177.9 | -59.3 | -167.5 | 163.8 | 0 | 0 | 112.8 | E30 C34 L35 | E30-E32 VanDerWaalsContact C-N 3.27Å; E30-E32 PolarHBondContact O-N 2.89Å; E32-C34 PolarHBondContact O-N 2.86Å; E32-L35 HydrophobicContact CB-CD1 4.5Å; E32-L35 PolarHBondContact O-N 3.4Å |
| 33 | K | 61 | Low | 54.4 | Low | 116 Ų | 116 | 119.8 Ų | 119.8 | 50% | 0.504 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -69.5 | -17.4 | 176.2 | -64.9 | 170.9 | 177.2 | 156.3 | 0 | 112.9 | E30 W31 | E30-K33 HydrophobicContact CB-CD 4.42Å; E30-K33 PolarHBondContact O-N 3.44Å; E30-K33 VanDerWaalsContact OE2-CE 3.31Å; E30-K33 WeakPolarHBondContact OE2-CE 3.35Å; E30-K33 IonicContact OE2-NZ 3.53Å; E30-K33 PolarHBondContact OE2-NZ 3.38Å; W31-K33 PolarHBondContact O-N 3.2Å |
| 34 | C | 57.4 | Low | 52.5 | Low | 24 Ų | 24 | 121.4 Ų | 121.4 | 16% | 0.162 | 65% | 0.649 | C | S | . | * | G | 310 helix | trans | -91 | -12.9 | -178.1 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | W31 E32 G36 I37 | W31-C34 WeakPolarHBondContact O-CB 3.3Å; W31-C34 PolarHBondContact O-N 3.48Å; E32-C34 PolarHBondContact O-N 2.86Å; C34-G36 PolarHBondContact O-N 3.36Å; C34-G36 VanDerWaalsContact O-N 3.12Å; C34-I37 PolarHBondContact O-N 3.02Å; C34-I37 VanDerWaalsContact O-N 3.16Å |
| 35 | L | 55.5 | Low | 51.1 | Low | 113 Ų | 113 | 125.7 Ų | 125.7 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -21.3 | -173.8 | -71.4 | 169.1 | 0 | 0 | 0 | 114.4 | E32 | E32-L35 HydrophobicContact CB-CD1 4.5Å; E32-L35 PolarHBondContact O-N 3.4Å |
| 36 | G | 57.4 | Low | 49.4 | Very low | 66 Ų | 66 | 120.7 Ų | 120.7 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -3.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C34 | C34-G36 PolarHBondContact O-N 3.36Å; C34-G36 VanDerWaalsContact O-N 3.12Å |
| 37 | I | 58.8 | Low | 47.8 | Very low | 51 Ų | 51 | 121.6 Ų | 121.6 | 26% | 0.262 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112 | -29.9 | -174.7 | -60.4 | 179 | 0 | 0 | 0 | 112.2 | L12 A16 I19 C34 | L12-I37 HydrophobicContact CD2-CG1 4.29Å; A16-I37 HydrophobicContact CB-CD1 4.21Å; I19-I37 HydrophobicContact CD1-CD1 3.77Å; C34-I37 PolarHBondContact O-N 3.02Å; C34-I37 VanDerWaalsContact O-N 3.16Å |
| 38 | F | 49.5 | Very low | 47 | Very low | 157 Ų | 157 | 122 Ų | 122 | 69% | 0.689 | 68% | 0.68 | S | S | * | * | trans | -124.9 | 100 | -176.1 | -61.5 | -76.4 | 0 | 0 | 0 | 111.9 | R40 | F38-R40 PolarHBondContact O-N 2.95Š| ||
| 39 | P | 44.5 | Very low | 46.6 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -61.8 | 126.8 | 168.6 | -20.2 | 33 | 0 | 0 | 0 | 110.3 | D41 | P39-D41 PolarHBondContact O-N 3.02Š| ||
| 40 | R | 33.9 | Very low | 45.8 | Very low | 211 Ų | 211 | 122.9 Ų | 122.9 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | trans | -79.5 | 101 | 178.3 | 179.3 | -178.8 | 177.9 | 171.4 | 2.4 | 110 | F38 | F38-R40 PolarHBondContact O-N 2.95Š| ||
| 41 | D | 35.5 | Very low | 44.9 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -67.1 | 137.8 | 177.9 | -158.5 | -2.5 | 0 | 0 | 0 | 111.8 | P39 | P39-D41 PolarHBondContact O-N 3.02Š| ||
| 42 | R | 35.6 | Very low | 44.8 | Very low | 212 Ų | 212 | 121.2 Ų | 121.2 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | trans | -150.4 | 93.9 | -171.9 | -141.4 | -169.4 | -168.9 | -168.6 | 3.6 | 111 | ||||
| 43 | G | 32.9 | Very low | 44.5 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 76% | 0.763 | 70% | 0.702 | S | S | * | * | trans | 93.7 | 106.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 44 | S | 30.7 | Very low | 44.2 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | trans | -78.1 | 117.8 | 174.3 | 178.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 45 | Q | 34.2 | Very low | 44.7 | Very low | 191 Ų | 191 | 119.6 Ų | 119.6 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | trans | -152.4 | 137.1 | 148 | -79.3 | -160.1 | -3.1 | 0 | 0 | 110.2 | ||||
| 46 | G | 31 | Very low | 45.3 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | 98.5 | 103.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 47 | G | 33.8 | Very low | 45.9 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 92% | 0.918 | 73% | 0.727 | S | S | * | * | trans | -71.9 | 166.4 | -177 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 48 | G | 35.9 | Very low | 46.7 | Very low | 64 Ų | 64 | 123 Ų | 123 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | trans | 163.1 | 72.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 49 | S | 48.1 | Very low | 48.2 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 40.3 | 89.9 | 153.2 | 60.9 | 0 | 0 | 0 | 0 | 119.9 | ||
| 50 | T | 46.2 | Very low | 50.2 | Low | 117 Ų | 117 | 117.6 Ų | 117.6 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | trans | -152.3 | -5.5 | 155.4 | 8.2 | 0 | 0 | 0 | 0 | 116.9 | I52 | T50-I52 PolarHBondContact O-N 3.26Š| ||
| 51 | D | 44.7 | Very low | 52.7 | Low | 141 Ų | 141 | 112 Ų | 112 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -3.8 | -165.1 | -60.8 | -58.5 | 0 | 0 | 0 | 117.6 | ||
| 52 | I | 53 | Low | 55.1 | Low | 148 Ų | 148 | 107.8 Ų | 107.8 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -78 | -30.6 | -168.9 | -63.7 | 167.7 | 0 | 0 | 0 | 112.9 | T50 L56 | T50-I52 PolarHBondContact O-N 3.26Å; I52-L56 PolarHBondContact O-N 3.4Å |
| 53 | S | 54.2 | Low | 57.7 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.7 | -38.5 | -173.5 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | L57 | S53-L57 PolarHBondContact O-N 3.03Å |
| 54 | V | 55.7 | Low | 60.4 | Low | 110 Ų | 110 | 104.5 Ų | 104.5 | 67% | 0.667 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.9 | -39 | 180 | -177.7 | 0 | 0 | 0 | 0 | 111 | L57 A58 | V54-L57 PolarHBondContact O-N 3.09Å; V54-A58 WeakPolarHBondContact O-CB 3.33Å; V54-A58 PolarHBondContact O-N 2.89Å |
| 55 | S | 67.6 | Low | 63.3 | Low | 74 Ų | 74 | 100.3 Ų | 100.3 | 52% | 0.517 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 179.8 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | L57 A58 V59 | S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.13Å; S55-A58 PolarHBondContact O-N 2.79Å; S55-V59 WeakPolarHBondContact O-CG2 3.4Å; S55-V59 PolarHBondContact O-N 3.5Å |
| 56 | L | 69 | Low | 66.1 | Low | 123 Ų | 123 | 96.2 Ų | 96.2 | 64% | 0.644 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.6 | -40.5 | 179.7 | -157.6 | 104 | 0 | 0 | 0 | 112.2 | I52 V59 V60 | I52-L56 PolarHBondContact O-N 3.4Å; L56-V59 PolarHBondContact O-N 3.23Å; L56-V60 WeakPolarHBondContact O-CG2 3.35Å; L56-V60 PolarHBondContact O-N 2.91Å |
| 57 | L | 69.4 | Low | 69 | Low | 119 Ų | 119 | 94.5 Ų | 94.5 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69 | -39.4 | -179.7 | -141 | 159 | 0 | 0 | 0 | 111 | S53 V54 S55 V60 V61 | S53-L57 PolarHBondContact O-N 3.03Å; V54-L57 PolarHBondContact O-N 3.09Å; S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.13Å; L57-V60 PolarHBondContact O-N 3.35Å; L57-V61 HydrophobicContact CD2-CG2 4.07Å; L57-V61 WeakPolarHBondContact O-CG2 3.26Å; L57-V61 PolarHBondContact O-N 2.87Å |
| 58 | A | 76.3 | Confident | 71.8 | Confident | 59 Ų | 59 | 96.2 Ų | 96.2 | 49% | 0.488 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.1 | -40.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V54 S55 S62 | V54-A58 WeakPolarHBondContact O-CB 3.33Å; V54-A58 PolarHBondContact O-N 2.89Å; S55-A58 PolarHBondContact O-N 2.79Å; A58-S62 VanDerWaalsContact O-CB 3.25Å; A58-S62 WeakPolarHBondContact O-CB 3.31Å; A58-S62 PolarHBondContact O-N 2.87Å |
| 59 | V | 80.9 | Confident | 74.5 | Confident | 91 Ų | 91 | 97.7 Ų | 97.7 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.1 | -44.3 | 175.1 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | S55 L56 S62 F63 | S55-V59 WeakPolarHBondContact O-CG2 3.4Å; S55-V59 PolarHBondContact O-N 3.5Å; L56-V59 PolarHBondContact O-N 3.23Å; V59-S62 PolarHBondContact O-N 3.48Å; V59-F63 WeakPolarHBondContact O-CB 3.44Å; V59-F63 PolarHBondContact O-N 3.49Å |
| 60 | V | 85.1 | Confident | 76.7 | Confident | 79 Ų | 79 | 96.9 Ų | 96.9 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.7 | -44.6 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L56 L57 F63 C64 | L56-V60 WeakPolarHBondContact O-CG2 3.35Å; L56-V60 PolarHBondContact O-N 2.91Å; L57-V60 PolarHBondContact O-N 3.35Å; V60-F63 PolarHBondContact O-N 3.36Å; V60-C64 WeakPolarHBondContact O-CB 3.42Å; V60-C64 PolarHBondContact O-N 3.41Å |
| 61 | V | 87.1 | Confident | 78.9 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.1 | -41.8 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | L57 G65 | L57-V61 HydrophobicContact CD2-CG2 4.07Å; L57-V61 WeakPolarHBondContact O-CG2 3.26Å; L57-V61 PolarHBondContact O-N 2.87Å; V61-G65 PolarHBondContact O-N 2.9Å |
| 62 | S | 85.9 | Confident | 81.1 | Confident | 70 Ų | 70 | 92.3 Ų | 92.3 | 49% | 0.49 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.6 | -45.6 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 112 | A58 V59 G65 L66 | A58-S62 VanDerWaalsContact O-CB 3.25Å; A58-S62 WeakPolarHBondContact O-CB 3.31Å; A58-S62 PolarHBondContact O-N 2.87Å; V59-S62 PolarHBondContact O-N 3.48Å; S62-G65 PolarHBondContact O-N 2.8Å; S62-L66 WeakPolarHBondContact O-CG 3.41Å; S62-L66 PolarHBondContact O-N 3.33Å |
| 63 | F | 91.3 | Very high | 82.9 | Confident | 149 Ų | 149 | 90.3 Ų | 90.3 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -44.2 | 179.4 | -168.1 | -95.3 | 0 | 0 | 0 | 112.4 | V59 V60 G65 L66 A67 | V59-F63 WeakPolarHBondContact O-CB 3.44Å; V59-F63 PolarHBondContact O-N 3.49Å; V60-F63 PolarHBondContact O-N 3.36Å; F63-G65 VanDerWaalsContact C-N 3.35Å; F63-G65 PolarHBondContact O-N 3.27Å; F63-L66 PolarHBondContact O-N 2.93Å; F63-A67 WeakPolarHBondContact O-CB 3.32Å; F63-A67 PolarHBondContact O-N 2.86Å |
| 64 | C | 89 | Confident | 84.6 | Confident | 67 Ų | 67 | 92.1 Ų | 92.1 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 172.6 | -78.2 | 0 | 0 | 0 | 0 | 112.1 | V60 A67 L68 | V60-C64 WeakPolarHBondContact O-CB 3.42Å; V60-C64 PolarHBondContact O-N 3.41Å; C64-A67 PolarHBondContact O-N 3.47Å; C64-L68 WeakPolarHBondContact O-CB 3.39Å; C64-L68 WeakPolarHBondContact O-CG 3.44Å; C64-L68 PolarHBondContact O-N 3Å |
| 65 | G | 91.8 | Very high | 86.2 | Confident | 37 Ų | 37 | 90.1 Ų | 90.1 | 38% | 0.381 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V61 S62 F63 L68 L69 | V61-G65 PolarHBondContact O-N 2.9Å; S62-G65 PolarHBondContact O-N 2.8Å; F63-G65 VanDerWaalsContact C-N 3.35Å; F63-G65 PolarHBondContact O-N 3.27Å; G65-L68 PolarHBondContact O-N 3.34Å; G65-L69 WeakPolarHBondContact O-CB 3.4Å; G65-L69 PolarHBondContact O-N 3.46Å |
| 66 | L | 92.8 | Very high | 87.2 | Confident | 105 Ų | 105 | 93 Ų | 93 | 55% | 0.55 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.9 | -71.9 | 170.7 | 0 | 0 | 0 | 112.4 | S62 F63 L68 L69 V70 | S62-L66 WeakPolarHBondContact O-CG 3.41Å; S62-L66 PolarHBondContact O-N 3.33Å; F63-L66 PolarHBondContact O-N 2.93Å; L66-L68 PolarHBondContact O-N 2.97Å; L66-L69 WeakPolarHBondContact O-CB 3.39Å; L66-L69 PolarHBondContact O-N 3.21Å; L66-V70 WeakPolarHBondContact O-CG2 3.37Å; L66-V70 PolarHBondContact O-N 3.49Å |
| 67 | A | 90.6 | Very high | 87.9 | Confident | 46 Ų | 46 | 95.1 Ų | 95.1 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F63 C64 L69 V70 V71 | F63-A67 WeakPolarHBondContact O-CB 3.32Å; F63-A67 PolarHBondContact O-N 2.86Å; C64-A67 PolarHBondContact O-N 3.47Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 2.99Å; A67-V70 PolarHBondContact O-N 3.42Å; A67-V71 WeakPolarHBondContact O-CG2 3.25Å; A67-V71 PolarHBondContact O-N 2.96Å |
| 68 | L | 93.1 | Very high | 88.6 | Confident | 124 Ų | 124 | 95.5 Ų | 95.5 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -35.7 | 175.2 | -71.4 | 171.8 | 0 | 0 | 0 | 112.3 | C64 G65 L66 V71 S72 | C64-L68 WeakPolarHBondContact O-CB 3.39Å; C64-L68 WeakPolarHBondContact O-CG 3.44Å; C64-L68 PolarHBondContact O-N 3Å; G65-L68 PolarHBondContact O-N 3.34Å; L66-L68 PolarHBondContact O-N 2.97Å; L68-V71 PolarHBondContact O-N 3.37Å; L68-S72 VanDerWaalsContact O-CB 3.25Å; L68-S72 WeakPolarHBondContact O-CB 3.36Å; L68-S72 PolarHBondContact O-N 2.94Å |
| 69 | L | 92.8 | Very high | 88.6 | Confident | 96 Ų | 96 | 98.5 Ų | 98.5 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 175.6 | -137.6 | 173.8 | 0 | 0 | 0 | 111.3 | G65 L66 A67 S72 L73 | G65-L69 WeakPolarHBondContact O-CB 3.4Å; G65-L69 PolarHBondContact O-N 3.46Å; L66-L69 WeakPolarHBondContact O-CB 3.39Å; L66-L69 PolarHBondContact O-N 3.21Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 2.99Å; L69-S72 PolarHBondContact O-N 3.39Å; L69-L73 HydrophobicContact CD2-CD1 3.77Å; L69-L73 HydrophobicContact CD2-CG 3.95Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 2.88Å |
| 70 | V | 93.8 | Very high | 87.9 | Confident | 101 Ų | 101 | 96.2 Ų | 96.2 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | L66 A67 L73 F74 | L66-V70 WeakPolarHBondContact O-CG2 3.37Å; L66-V70 PolarHBondContact O-N 3.49Å; A67-V70 PolarHBondContact O-N 3.42Å; V70-L73 PolarHBondContact O-N 2.91Å; V70-F74 WeakPolarHBondContact O-CB 3.43Å; V70-F74 PolarHBondContact O-N 3.39Å |
| 71 | V | 92.2 | Very high | 86.7 | Confident | 87 Ų | 87 | 100 Ų | 100 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | A67 L68 F74 V75 | A67-V71 WeakPolarHBondContact O-CG2 3.25Å; A67-V71 PolarHBondContact O-N 2.96Å; L68-V71 PolarHBondContact O-N 3.37Å; V71-F74 PolarHBondContact O-N 3.4Å; V71-V75 HydrophobicContact CG1-CG2 4.29Å; V71-V75 WeakPolarHBondContact O-CB 3.25Å; V71-V75 VanDerWaalsContact O-CG2 3.31Å; V71-V75 WeakPolarHBondContact O-CG2 3.48Å; V71-V75 PolarHBondContact O-N 3.3Å |
| 72 | S | 90.7 | Very high | 85 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 176.5 | -174.9 | 0 | 0 | 0 | 0 | 112 | L68 L69 F74 V75 F76 | L68-S72 VanDerWaalsContact O-CB 3.25Å; L68-S72 WeakPolarHBondContact O-CB 3.36Å; L68-S72 PolarHBondContact O-N 2.94Å; L69-S72 PolarHBondContact O-N 3.39Å; S72-F74 PolarHBondContact O-N 3.5Å; S72-V75 PolarHBondContact O-N 3.26Å; S72-F76 VanDerWaalsContact O-CB 3.25Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; S72-F76 PolarHBondContact O-N 2.99Å |
| 73 | L | 92.1 | Very high | 83.1 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 175.5 | -72.3 | 171.8 | 0 | 0 | 0 | 112.5 | L69 V70 W77 | L69-L73 HydrophobicContact CD2-CD1 3.77Å; L69-L73 HydrophobicContact CD2-CG 3.95Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 2.88Å; V70-L73 PolarHBondContact O-N 2.91Å; L73-W77 VanDerWaalsContact O-CB 3.28Å; L73-W77 WeakPolarHBondContact O-CB 3.47Å; L73-W77 PolarHBondContact O-N 2.98Å |
| 74 | F | 90.6 | Very high | 81.1 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 176.1 | -175.6 | -97.9 | 0 | 0 | 0 | 112.2 | V70 V71 S72 W77 K78 | V70-F74 WeakPolarHBondContact O-CB 3.43Å; V70-F74 PolarHBondContact O-N 3.39Å; V71-F74 PolarHBondContact O-N 3.4Å; S72-F74 PolarHBondContact O-N 3.5Å; F74-W77 PolarHBondContact O-N 2.95Å; F74-K78 HydrophobicContact CD1-CG 4.33Å; F74-K78 HydrophobicContact CE1-CG 3.99Å; F74-K78 HydrophobicContact CZ-CG 4.2Å; F74-K78 WeakPolarHBondContact O-CB 3.32Å; F74-K78 WeakPolarHBondContact O-CG 3.38Å; F74-K78 PolarHBondContact O-N 3.28Å |
| 75 | V | 88.8 | Confident | 78.9 | Confident | 69 Ų | 69 | 110.4 Ų | 110.4 | 42% | 0.418 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.8 | -44.4 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | V71 S72 W77 K78 L79 | V71-V75 HydrophobicContact CG1-CG2 4.29Å; V71-V75 WeakPolarHBondContact O-CB 3.25Å; V71-V75 VanDerWaalsContact O-CG2 3.31Å; V71-V75 WeakPolarHBondContact O-CG2 3.48Å; V71-V75 PolarHBondContact O-N 3.3Å; S72-V75 PolarHBondContact O-N 3.26Å; V75-W77 PolarHBondContact O-N 3.12Å; V75-K78 CarbonylContact O-C 3.44Å; V75-K78 PolarHBondContact O-N 2.98Å; V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.18Å; V75-L79 WeakPolarHBondContact O-CB 3.33Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 2.84Å |
| 76 | F | 88.8 | Confident | 76.6 | Confident | 135 Ų | 135 | 112.7 Ų | 112.7 | 59% | 0.592 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.1 | -46 | 175.2 | -172.4 | -97.6 | 0 | 0 | 0 | 111.5 | S72 K78 L79 C80 | S72-F76 VanDerWaalsContact O-CB 3.25Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; S72-F76 PolarHBondContact O-N 2.99Å; F76-K78 PolarHBondContact O-N 2.86Å; F76-L79 PolarHBondContact O-N 3.42Å; F76-C80 WeakPolarHBondContact O-CB 3.32Å; F76-C80 PolarHBondContact O-N 3.29Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.35Å |
| 77 | W | 83.3 | Confident | 73.8 | Confident | 166 Ų | 166 | 116.8 Ų | 116.8 | 63% | 0.629 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.9 | -46.1 | 173.8 | -170.7 | 0.6 | 0 | 0 | 0 | 111.2 | L73 F74 V75 L79 C80 W81 | L73-W77 VanDerWaalsContact O-CB 3.28Å; L73-W77 WeakPolarHBondContact O-CB 3.47Å; L73-W77 PolarHBondContact O-N 2.98Å; F74-W77 PolarHBondContact O-N 2.95Å; V75-W77 PolarHBondContact O-N 3.12Å; W77-L79 VanDerWaalsContact C-N 3.35Å; W77-L79 PolarHBondContact O-N 2.94Å; W77-C80 PolarHBondContact O-N 2.88Å; W77-W81 AromaticContact CD1-CE3 3.8Å; W77-W81 HydrophobicContact CZ2-CZ3 4.45Å; W77-W81 AromaticContact NE1-CE3 3.31Å; W77-W81 VanDerWaalsContact NE1-CE3 3.31Å; W77-W81 AromaticContact NE1-CZ3 3.4Å; W77-W81 WeakPolarHBondContact O-CB 3.46Å; W77-W81 PolarHBondContact O-N 2.92Å |
| 78 | K | 83.1 | Confident | 71.2 | Confident | 128 Ų | 128 | 120.3 Ų | 120.3 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.6 | -28.5 | 177.1 | -80.3 | -74.2 | -176 | 175.2 | 0 | 114.5 | F74 V75 F76 P82 | F74-K78 HydrophobicContact CD1-CG 4.33Å; F74-K78 HydrophobicContact CE1-CG 3.99Å; F74-K78 HydrophobicContact CZ-CG 4.2Å; F74-K78 WeakPolarHBondContact O-CB 3.32Å; F74-K78 WeakPolarHBondContact O-CG 3.38Å; F74-K78 PolarHBondContact O-N 3.28Å; V75-K78 CarbonylContact O-C 3.44Å; V75-K78 PolarHBondContact O-N 2.98Å; F76-K78 PolarHBondContact O-N 2.86Å; K78-P82 VanDerWaalsContact O-CD 3.3Å; K78-P82 WeakPolarHBondContact O-CD 3.49Å |
| 79 | L | 76.3 | Confident | 68.3 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 64% | 0.639 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -82.9 | -28.8 | 175.4 | -71.7 | 172.8 | 0 | 0 | 0 | 112.7 | V75 F76 W77 P82 | V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.18Å; V75-L79 WeakPolarHBondContact O-CB 3.33Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 2.84Å; F76-L79 PolarHBondContact O-N 3.42Å; W77-L79 VanDerWaalsContact C-N 3.35Å; W77-L79 PolarHBondContact O-N 2.94Å; L79-P82 WeakPolarHBondContact O-CD 3.13Å |
| 80 | C | 65.9 | Low | 65.3 | Low | 43 Ų | 43 | 122.6 Ų | 122.6 | 29% | 0.291 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -83 | -24.9 | 173.8 | -67.2 | 0 | 0 | 0 | 0 | 113.1 | F76 W77 P82 C83 | F76-C80 WeakPolarHBondContact O-CB 3.32Å; F76-C80 PolarHBondContact O-N 3.29Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.35Å; W77-C80 PolarHBondContact O-N 2.88Å; C80-P82 VanDerWaalsContact C-CD 3.47Å; C80-C83 PolarHBondContact O-N 3.33Å |
| 81 | W | 60.6 | Low | 62.4 | Low | 158 Ų | 158 | 122.6 Ų | 122.6 | 60% | 0.598 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -41 | 179.3 | -164.9 | -95.1 | 0 | 0 | 0 | 115.2 | W77 | W77-W81 AromaticContact CD1-CE3 3.8Å; W77-W81 HydrophobicContact CZ2-CZ3 4.45Å; W77-W81 AromaticContact NE1-CE3 3.31Å; W77-W81 VanDerWaalsContact NE1-CE3 3.31Å; W77-W81 AromaticContact NE1-CZ3 3.4Å; W77-W81 WeakPolarHBondContact O-CB 3.46Å; W77-W81 PolarHBondContact O-N 2.92Å |
| 82 | P | 51 | Low | 59.3 | Low | 80 Ų | 80 | 126.5 Ų | 126.5 | 52% | 0.519 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -70.5 | -30.7 | 179.5 | -17.5 | 33.3 | 0 | 0 | 0 | 112.8 | K78 L79 C80 W84 K85 | K78-P82 VanDerWaalsContact O-CD 3.3Å; K78-P82 WeakPolarHBondContact O-CD 3.49Å; L79-P82 WeakPolarHBondContact O-CD 3.13Å; C80-P82 VanDerWaalsContact C-CD 3.47Å; P82-W84 VanDerWaalsContact C-N 3.27Å; P82-W84 PolarHBondContact O-N 2.96Å; P82-K85 PolarHBondContact O-N 2.95Å |
| 83 | C | 46.6 | Very low | 56.5 | Low | 98 Ų | 98 | 129.1 Ų | 129.1 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -73.7 | -13.5 | -177.4 | -67.9 | 0 | 0 | 0 | 0 | 114.1 | C80 | C80-C83 PolarHBondContact O-N 3.33Š|
| 84 | W | 48.9 | Very low | 53.5 | Low | 234 Ų | 234 | 130.2 Ų | 130.2 | 89% | 0.886 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -103.8 | 3.7 | 177.6 | -76.9 | -9.4 | 0 | 0 | 0 | 114.6 | P82 | P82-W84 VanDerWaalsContact C-N 3.27Å; P82-W84 PolarHBondContact O-N 2.96Å |
| 85 | K | 44.2 | Very low | 50.5 | Low | 187 Ų | 187 | 130.2 Ų | 130.2 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -111.2 | 14.4 | 177.2 | -123.2 | -164.9 | -179.8 | -164.3 | 0 | 115.9 | P82 | P82-K85 PolarHBondContact O-N 2.95Š|
| 86 | S | 42.9 | Very low | 47.7 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -140 | 85.4 | 176 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 87 | K | 34.2 | Very low | 45.6 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | trans | 178.5 | 116.6 | 132.8 | -97.9 | 151.8 | -175.6 | 174.3 | 0 | 112 | ||||
| 88 | P | 36.4 | Very low | 42.9 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | -71.3 | 136.9 | 151.7 | 31.5 | -30.5 | 0 | 0 | 0 | 108.5 | ||||
| 89 | V | 31.8 | Very low | 40.2 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | -107.1 | 91.8 | 173.5 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 90 | T | 29.2 | Very low | 37.8 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | -76.6 | 127.2 | 157.1 | 33 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 91 | S | 32 | Very low | 36 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -65.2 | 139.1 | 166.4 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 92 | N | 28.4 | Very low | 34.5 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | -162 | 153.3 | 139.3 | -98.8 | -17 | 0 | 0 | 0 | 111.5 | ||||
| 93 | V | 31.6 | Very low | 33.8 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -126 | 139.1 | -173.1 | 158.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 94 | T | 29 | Very low | 33.8 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 78.3 | 118.1 | 168.5 | -49 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 95 | T | 28 | Very low | 32.8 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -90.1 | 126 | 159.5 | 18.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 96 | L | 28.8 | Very low | 32 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 73.8 | 159.2 | 97.1 | -107.6 | 89.8 | 0 | 0 | 0 | 115.4 | |||||
| 97 | P | 46.1 | Very low | 31.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -137.5 | 179.9 | 29.1 | 41.1 | -21.7 | 0 | 0 | 0 | 119.5 | ||||
| 98 | Q | 26.3 | Very low | 31 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | 101.7 | 133.6 | 170.3 | -60.6 | 179.9 | -3.2 | 0 | 0 | 115.5 | ||||
| 99 | S | 25.2 | Very low | 30.6 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | cis | -167.5 | 149.4 | -5.1 | 51 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 100 | I | 27.4 | Very low | 30.2 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 82% | 0.821 | 75% | 0.746 | S | S | * | * | trans | 63.6 | 109 | 148.3 | -60.3 | 155.9 | 0 | 0 | 0 | 119.7 | ||||
| 101 | S | 27.6 | Very low | 30.1 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | 159.5 | 137.6 | 102.1 | -154.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 102 | S | 28.7 | Very low | 30 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | 28.6 | 113.6 | 147.4 | 59.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 103 | A | 36.2 | Very low | 30 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | 96.4 | 165.6 | 73.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 104 | P | 46.9 | Very low | 29.7 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | -128.1 | -146.8 | -106.3 | 35 | -11.7 | 0 | 0 | 0 | 113.2 | |||||
| 105 | T | 28.1 | Very low | 29.6 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | trans | 119.1 | 99.5 | 173.3 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 106 | E | 28.2 | Very low | 29.6 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | 69.3 | 145.3 | 87.2 | -73.1 | -162.4 | 174.1 | 0 | 0 | 112.9 | |||||
| 107 | V | 27.7 | Very low | 29.5 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | cis | -167.3 | 150.8 | 2.3 | 113.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 108 | F | 27.9 | Very low | 28.6 | Very low | 162 Ų | 162 | 135 Ų | 135 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | trans | 65.6 | 133.6 | 157.9 | -82.3 | -124.4 | 0 | 0 | 0 | 118.8 | ||||
| 109 | E | 27.3 | Very low | 28.5 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | 66.5 | 141.7 | 68.8 | -78.4 | -168.1 | -151.7 | 0 | 0 | 112.8 | |||||
| 110 | T | 24.8 | Very low | 28.6 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 58% | 0.577 | 72% | 0.715 | S | S | * | * | cis | -166.8 | 153.6 | 10 | -111.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 111 | E | 27 | Very low | 28.7 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | trans | 34.4 | 163.8 | 149.5 | -58.2 | -178.2 | 154.8 | 0 | 0 | 122.3 | ||||
| 112 | E | 28 | Very low | 29.1 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 60% | 0.603 | 72% | 0.72 | S | S | * | * | cis | -164.6 | 178.7 | 2.6 | -136.3 | -165.4 | 139.4 | 0 | 0 | 111 | ||||
| 113 | K | 28.7 | Very low | 29.1 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | 72.1 | 122.4 | 153.1 | -77.2 | 156.7 | -179.9 | 143.4 | 0 | 118.6 | ||||
| 114 | K | 26 | Very low | 28.8 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | 70.4 | 138.1 | 73.8 | -75.3 | -167.4 | 160.9 | -146.3 | 0 | 112.4 | |||||
| 115 | E | 26.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 59% | 0.593 | 74% | 0.735 | S | S | * | * | cis | -164.7 | 161.6 | 10.2 | -120 | 170.1 | -170.2 | 0 | 0 | 110.9 | ||||
| 116 | I | 28.5 | Very low | 28 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 67% | 0.672 | 74% | 0.739 | S | S | * | * | trans | 52.1 | 109 | 142.8 | -62.4 | 162.4 | 0 | 0 | 0 | 117.1 | ||||
| 117 | K | 26.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | 168 | 175.2 | 77.6 | -125.5 | 169.1 | -175.5 | -120 | 0 | 107.9 | |||||
| 118 | E | 27 | Very low | 28.5 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -152 | 168.3 | -5.6 | -166.5 | 122.6 | -115.2 | 0 | 0 | 111 | ||||
| 119 | N | 24 | Very low | 28.8 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -17 | 123.6 | 160.9 | -165.9 | 36.9 | 0 | 0 | 0 | 121.6 | ||||
| 120 | E | 27.6 | Very low | 29.1 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | trans | -156.6 | 156.6 | 136.1 | -124.8 | 175.5 | -161.4 | 0 | 0 | 112 | ||||
| 121 | K | 31 | Very low | 29.6 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -109.9 | 167.2 | -168.4 | -102.7 | -170.6 | 177 | 175.5 | 0 | 113.1 | ||||
| 122 | P | 34.3 | Very low | 30 | Very low | 122 Ų | 122 | 150 Ų | 150 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | -98.7 | 148.4 | -126.5 | 36.8 | -37.9 | 0 | 0 | 0 | 116 | |||
| 123 | A | 28.8 | Very low | 30.4 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 144.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R125 | A123-R125 PolarHBondContact O-N 3.06Š|
| 124 | V | 29.8 | Very low | 30.9 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.4 | -170.9 | 179 | 0 | 0 | 0 | 0 | 112.4 | ||
| 125 | R | 29.1 | Very low | 31.9 | Very low | 237 Ų | 237 | 149.5 Ų | 149.5 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -92.3 | 110.7 | 165.5 | -72.4 | -174 | 178.2 | 179.2 | -0.4 | 110 | A123 | A123-R125 PolarHBondContact O-N 3.06Š| ||
| 126 | A | 30.5 | Very low | 33.1 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 139.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 127 | I | 32.7 | Very low | 33.7 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 118.5 | -178.7 | -64.2 | 166.9 | 0 | 0 | 0 | 108.5 | P129 | I127-P129 WeakPolarHBondContact O-CD 3.27Š|
| 128 | E | 32.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 123.9 | 165.2 | -76.1 | -171.4 | 128.8 | 0 | 0 | 110.3 | A130 | E128-A130 PolarHBondContact O-N 3.36Å; E128-A130 VanDerWaalsContact O-N 3.12Å |
| 129 | P | 34.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -79.3 | 92.1 | 169.5 | 31.4 | -32 | 0 | 0 | 0 | 110.1 | I127 I131 | I127-P129 WeakPolarHBondContact O-CD 3.27Å; P129-I131 PolarHBondContact O-N 3.43Å | ||
| 130 | A | 34.4 | Very low | 37.6 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -70.4 | 96.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E128 | E128-A130 PolarHBondContact O-N 3.36Å; E128-A130 VanDerWaalsContact O-N 3.12Å | ||
| 131 | I | 34.8 | Very low | 39.4 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | trans | -124.1 | 96.8 | 165.3 | -60.3 | -179.7 | 0 | 0 | 0 | 108.3 | P129 I133 | P129-I131 PolarHBondContact O-N 3.43Å; I131-I133 HydrophobicContact CG2-CD1 3.85Å; I131-I133 HydrophobicContact CG2-CG1 3.82Å | ||
| 132 | K | 34.3 | Very low | 40.8 | Very low | 217 Ų | 217 | 134 Ų | 134 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | trans | -104 | 110.5 | 162.6 | -79.2 | -172.8 | 175.5 | -177.7 | 0 | 108.4 | ||||
| 133 | I | 36.1 | Very low | 42 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -108.5 | 136.2 | 169.9 | -59 | 172.1 | 0 | 0 | 0 | 107.4 | I131 | I131-I133 HydrophobicContact CG2-CD1 3.85Å; I131-I133 HydrophobicContact CG2-CG1 3.82Å | ||
| 134 | S | 39.5 | Very low | 43.4 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | 59.2 | 119.1 | 169.7 | 53.8 | 0 | 0 | 0 | 0 | 119.1 | T136 | S134-T136 PolarHBondContact O-N 3.49Š| ||
| 135 | H | 47.7 | Very low | 44.6 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -79.1 | 88.1 | 157.9 | -77.1 | -105.4 | 0 | 0 | 0 | 110.6 | ||
| 136 | T | 51.6 | Low | 46.2 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | -170.5 | 83.1 | 156.9 | 43.4 | 0 | 0 | 0 | 0 | 110.5 | S134 | S134-T136 PolarHBondContact O-N 3.49Š| ||
| 137 | S | 39.9 | Very low | 47.7 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | trans | -160.8 | 142.1 | 163 | -85 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 138 | P | 52.4 | Low | 48.9 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 146.6 | 174.2 | 29.7 | -33.7 | 0 | 0 | 0 | 111.4 | I140 | P138-I140 PolarHBondContact O-N 3.42Š|
| 139 | D | 51.8 | Low | 50.1 | Low | 166 Ų | 166 | 120.3 Ų | 120.3 | 89% | 0.888 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127.4 | -179 | -72.8 | -55.7 | 0 | 0 | 0 | 112.2 | ||
| 140 | I | 55 | Low | 51.2 | Low | 103 Ų | 103 | 119.7 Ų | 119.7 | 53% | 0.528 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -81.1 | 122.2 | 174.6 | -63.1 | 172.8 | 0 | 0 | 0 | 108.4 | P138 V144 Q145 | P138-I140 PolarHBondContact O-N 3.42Å; I140-V144 HydrophobicContact CG2-CB 3.74Å; I140-V144 HydrophobicContact CG2-CG1 3.88Å; I140-V144 HydrophobicContact CG2-CG2 4.44Å; I140-Q145 HydrophobicContact CG2-CG 4.29Å; I140-Q145 PolarHBondContact O-NE2 3.42Å; I140-Q145 VanDerWaalsContact O-NE2 3.08Å |
| 141 | P | 66.6 | Low | 52.2 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 48% | 0.481 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 144.6 | -179.2 | -28.3 | 35.5 | 0 | 0 | 0 | 113.5 | E143 V144 | P141-E143 PolarHBondContact O-N 2.98Å; P141-E143 VanDerWaalsContact O-N 3.11Å; P141-V144 PolarHBondContact O-N 3.03Å |
| 142 | A | 60.5 | Low | 53 | Low | 70 Ų | 70 | 119.9 Ų | 119.9 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -56.2 | -33.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | V144 Q145 T146 | A142-V144 VanDerWaalsContact C-N 3.31Å; A142-V144 PolarHBondContact O-N 3.28Å; A142-Q145 PolarHBondContact O-N 3.04Å; A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.14Å; A142-T146 VanDerWaalsContact O-OG1 3.11Å |
| 143 | E | 59.3 | Low | 53.9 | Low | 146 Ų | 146 | 114.7 Ų | 114.7 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -56.8 | -40.5 | 176.7 | -63.4 | 107.6 | -139 | 0 | 0 | 113 | P141 T146 A147 | P141-E143 PolarHBondContact O-N 2.98Å; P141-E143 VanDerWaalsContact O-N 3.11Å; E143-T146 VanDerWaalsContact C-OG1 3.31Å; E143-T146 VanDerWaalsContact CA-OG1 3.32Å; E143-T146 WeakPolarHBondContact CA-OG1 3.34Å; E143-T146 PolarHBondContact O-N 3.1Å; E143-T146 PolarHBondContact O-OG1 3.23Å; E143-A147 WeakPolarHBondContact O-CB 3.49Å; E143-A147 PolarHBondContact O-N 3Å |
| 144 | V | 57 | Low | 54.5 | Low | 80 Ų | 80 | 114.3 Ų | 114.3 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.7 | -34.7 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | I140 P141 A142 A147 L148 | I140-V144 HydrophobicContact CG2-CB 3.74Å; I140-V144 HydrophobicContact CG2-CG1 3.88Å; I140-V144 HydrophobicContact CG2-CG2 4.44Å; P141-V144 PolarHBondContact O-N 3.03Å; A142-V144 VanDerWaalsContact C-N 3.31Å; A142-V144 PolarHBondContact O-N 3.28Å; V144-A147 PolarHBondContact O-N 2.97Å; V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 PolarHBondContact O-N 3.09Å |
| 145 | Q | 56.5 | Low | 54.9 | Low | 122 Ų | 122 | 115.6 Ų | 115.6 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.8 | -38.7 | 175.4 | -57.4 | -171 | 23.5 | 0 | 0 | 111.4 | I140 A142 K149 | I140-Q145 HydrophobicContact CG2-CG 4.29Å; I140-Q145 PolarHBondContact O-NE2 3.42Å; I140-Q145 VanDerWaalsContact O-NE2 3.08Å; A142-Q145 PolarHBondContact O-N 3.04Å; Q145-K149 VanDerWaalsContact O-CB 3.3Å; Q145-K149 WeakPolarHBondContact O-CB 3.25Å; Q145-K149 PolarHBondContact O-N 3.02Å |
| 146 | T | 62.5 | Low | 54.8 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 54% | 0.54 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.4 | -41.4 | 171.2 | 41.1 | 0 | 0 | 0 | 0 | 112.3 | A142 E143 L148 K149 E150 | A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.14Å; A142-T146 VanDerWaalsContact O-OG1 3.11Å; E143-T146 VanDerWaalsContact C-OG1 3.31Å; E143-T146 VanDerWaalsContact CA-OG1 3.32Å; E143-T146 WeakPolarHBondContact CA-OG1 3.34Å; E143-T146 PolarHBondContact O-N 3.1Å; E143-T146 PolarHBondContact O-OG1 3.23Å; T146-L148 PolarHBondContact O-N 3.35Å; T146-K149 PolarHBondContact O-N 3.34Å; T146-E150 WeakPolarHBondContact O-CB 3.34Å; T146-E150 PolarHBondContact O-N 3.12Å |
| 147 | A | 62.3 | Low | 54.6 | Low | 57 Ų | 57 | 115.4 Ų | 115.4 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.6 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E143 V144 K149 E150 H151 | E143-A147 WeakPolarHBondContact O-CB 3.49Å; E143-A147 PolarHBondContact O-N 3Å; V144-A147 PolarHBondContact O-N 2.97Å; A147-K149 PolarHBondContact O-N 2.86Å; A147-E150 PolarHBondContact O-N 3.34Å; A147-H151 WeakPolarHBondContact O-CB 3.32Å; A147-H151 PolarHBondContact O-N 2.62Å |
| 148 | L | 58.1 | Low | 54.7 | Low | 117 Ų | 117 | 115.1 Ų | 115.1 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.3 | -40.8 | 176.4 | -162.4 | 77.1 | 0 | 0 | 0 | 111.7 | V144 T146 H151 L152 | V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 PolarHBondContact O-N 3.09Å; T146-L148 PolarHBondContact O-N 3.35Å; L148-H151 PolarHBondContact O-N 3.14Å; L148-L152 HydrophobicContact CG-CD1 4.36Å; L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 2.83Å |
| 149 | K | 57.3 | Low | 54.2 | Low | 141 Ų | 141 | 118.2 Ų | 118.2 | 61% | 0.613 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.8 | -39.9 | 176.9 | -166.9 | 175.4 | -174.9 | 178.3 | 0 | 111.8 | Q145 T146 A147 L152 I153 | Q145-K149 VanDerWaalsContact O-CB 3.3Å; Q145-K149 WeakPolarHBondContact O-CB 3.25Å; Q145-K149 PolarHBondContact O-N 3.02Å; T146-K149 PolarHBondContact O-N 3.34Å; A147-K149 PolarHBondContact O-N 2.86Å; K149-L152 PolarHBondContact O-N 2.86Å; K149-I153 HydrophobicContact CG-CD1 4.1Å; K149-I153 WeakPolarHBondContact O-CB 3.38Å; K149-I153 WeakPolarHBondContact O-CD1 3.34Å; K149-I153 VanDerWaalsContact O-CG1 3.22Å; K149-I153 WeakPolarHBondContact O-CG1 3.4Å; K149-I153 PolarHBondContact O-N 2.79Å |
| 150 | E | 57.8 | Low | 53.6 | Low | 103 Ų | 103 | 121.2 Ų | 121.2 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70 | -37.3 | 176.3 | -157.4 | -171.8 | 160.7 | 0 | 0 | 111.9 | T146 A147 I153 K154 | T146-E150 WeakPolarHBondContact O-CB 3.34Å; T146-E150 PolarHBondContact O-N 3.12Å; A147-E150 PolarHBondContact O-N 3.34Å; E150-I153 PolarHBondContact O-N 3.04Å; E150-K154 HydrophobicContact CG-CD 4.49Å; E150-K154 WeakPolarHBondContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.26Å; E150-K154 PolarHBondContact O-N 3.1Å; E150-K154 WeakPolarHBondContact OE1-CE 3.22Å; E150-K154 IonicContact OE1-NZ 3.44Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å |
| 151 | H | 54.4 | Low | 53.1 | Low | 122 Ų | 122 | 124.5 Ų | 124.5 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.1 | -40.9 | 174.1 | -144.9 | -107.3 | 0 | 0 | 0 | 111.7 | A147 L148 K154 H155 | A147-H151 WeakPolarHBondContact O-CB 3.32Å; A147-H151 PolarHBondContact O-N 2.62Å; L148-H151 PolarHBondContact O-N 3.14Å; H151-K154 PolarHBondContact O-N 2.66Å; H151-H155 AromaticContact CE1-CD2 3.96Å; H151-H155 AromaticContact CE1-NE2 3.74Å; H151-H155 AromaticContact ND1-CD2 3.82Å; H151-H155 PolarHBondContact O-CD2 2.95Å; H151-H155 PolarHBondContact O-N 3.47Å |
| 152 | L | 51.7 | Low | 51.7 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 62% | 0.618 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.3 | -40.4 | 172.6 | -83.3 | 160.9 | 0 | 0 | 0 | 112.5 | L148 K149 H155 A156 | L148-L152 HydrophobicContact CG-CD1 4.36Å; L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 2.83Å; K149-L152 PolarHBondContact O-N 2.86Å; L152-H155 PolarHBondContact O-N 3.22Å; L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 2.87Å |
| 153 | I | 53.2 | Low | 50.9 | Low | 109 Ų | 109 | 131 Ų | 131 | 56% | 0.559 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.8 | -37.7 | 177.4 | -69.8 | 164.8 | 0 | 0 | 0 | 111.5 | K149 E150 H155 A156 | K149-I153 HydrophobicContact CG-CD1 4.1Å; K149-I153 WeakPolarHBondContact O-CB 3.38Å; K149-I153 WeakPolarHBondContact O-CD1 3.34Å; K149-I153 VanDerWaalsContact O-CG1 3.22Å; K149-I153 WeakPolarHBondContact O-CG1 3.4Å; K149-I153 PolarHBondContact O-N 2.79Å; E150-I153 PolarHBondContact O-N 3.04Å; I153-H155 VanDerWaalsContact C-N 3.34Å; I153-A156 PolarHBondContact O-N 3Å |
| 154 | K | 49.9 | Very low | 50.1 | Low | 132 Ų | 132 | 132 Ų | 132 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.4 | -33.8 | 174.1 | -74 | 172.5 | -175.6 | 168.2 | 0 | 112.3 | E150 H151 | E150-K154 HydrophobicContact CG-CD 4.49Å; E150-K154 WeakPolarHBondContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.26Å; E150-K154 PolarHBondContact O-N 3.1Å; E150-K154 WeakPolarHBondContact OE1-CE 3.22Å; E150-K154 IonicContact OE1-NZ 3.44Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å; H151-K154 PolarHBondContact O-N 2.66Å |
| 155 | H | 48.4 | Very low | 49.6 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.1 | -13.9 | 171.3 | -82.6 | -76.7 | 0 | 0 | 0 | 114.8 | H151 L152 I153 R157 | H151-H155 AromaticContact CE1-CD2 3.96Å; H151-H155 AromaticContact CE1-NE2 3.74Å; H151-H155 AromaticContact ND1-CD2 3.82Å; H151-H155 PolarHBondContact O-CD2 2.95Å; H151-H155 PolarHBondContact O-N 3.47Å; L152-H155 PolarHBondContact O-N 3.22Å; I153-H155 VanDerWaalsContact C-N 3.34Å; H155-R157 VanDerWaalsContact C-N 3.29Å; H155-R157 PolarHBondContact O-N 2.8Å |
| 156 | A | 44 | Very low | 48.7 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L152 I153 | L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 2.87Å; I153-A156 PolarHBondContact O-N 3Å |
| 157 | R | 48.8 | Very low | 47.4 | Very low | 235 Ų | 235 | 136.1 Ų | 136.1 | 89% | 0.887 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 51 | 172.6 | -94.2 | -176 | 169.2 | 168.5 | -3 | 112.6 | H155 | H155-R157 VanDerWaalsContact C-N 3.29Å; H155-R157 PolarHBondContact O-N 2.8Å |
| 158 | V | 41.5 | Very low | 46.2 | Very low | 106 Ų | 106 | 139 Ų | 139 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | trans | -120.8 | 111.2 | 158.6 | -180 | 0 | 0 | 0 | 0 | 108.5 | R160 | V158-R160 PolarHBondContact O-N 2.72Š| ||
| 159 | Q | 42.7 | Very low | 45.3 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -70.6 | 97.3 | 180 | -174.6 | 166.6 | -13.3 | 0 | 0 | 109.5 | Q161 | Q159-Q161 PolarHBondContact O-N 2.83Š| ||
| 160 | R | 38.6 | Very low | 44.4 | Very low | 229 Ų | 229 | 143.2 Ų | 143.2 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -67.8 | 95.1 | 170.8 | -75.7 | -174.5 | 174.5 | -178.7 | -1.6 | 109.2 | V158 I162 | V158-R160 PolarHBondContact O-N 2.72Å; R160-I162 PolarHBondContact O-N 3.43Å | ||
| 161 | Q | 44.2 | Very low | 43.3 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -56.5 | 120.3 | 154.9 | -91 | 177.1 | -50.7 | 0 | 0 | 108 | Q159 | Q159-Q161 PolarHBondContact O-N 2.83Š| ||
| 162 | I | 36.2 | Very low | 42.4 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -94.4 | 97.4 | 169.2 | -58.4 | 171.6 | 0 | 0 | 0 | 105.9 | R160 | R160-I162 PolarHBondContact O-N 3.43Š| ||
| 163 | T | 44.8 | Very low | 41.6 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -77.7 | 131.8 | 164.7 | 49.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 164 | E | 42.5 | Very low | 40.8 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -59.9 | 146.7 | 176.2 | -58 | -177.3 | 150.3 | 0 | 0 | 111.7 | T166 | E164-T166 PolarHBondContact O-N 3.26Š| ||
| 165 | P | 46.3 | Very low | 40.2 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -71.3 | 101.8 | 171.4 | 29.5 | -32.4 | 0 | 0 | 0 | 109.9 | S167 | P165-S167 PolarHBondContact O-N 2.98Š| ||
| 166 | T | 38.2 | Very low | 39.8 | Very low | 135 Ų | 135 | 161.2 Ų | 161.2 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -58 | 127.6 | 175.1 | -48.2 | 0 | 0 | 0 | 0 | 111.1 | E164 S168 | E164-T166 PolarHBondContact O-N 3.26Å; T166-S168 PolarHBondContact O-N 3.07Å | ||
| 167 | S | 35.1 | Very low | 39.3 | Very low | 108 Ų | 108 | 165.1 Ų | 165.1 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -67.7 | 125.6 | 174.6 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | P165 S169 | P165-S167 PolarHBondContact O-N 2.98Å; S167-S169 PolarHBondContact O-N 3.34Å | ||
| 168 | S | 36.9 | Very low | 38.9 | Very low | 117 Ų | 117 | 161.8 Ų | 161.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -73 | 108.8 | 178 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | T166 R170 | T166-S168 PolarHBondContact O-N 3.07Å; S168-R170 PolarHBondContact O-N 2.95Å | ||
| 169 | S | 38 | Very low | 38.9 | Very low | 115 Ų | 115 | 162.8 Ų | 162.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -79.5 | 101.1 | 176.6 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | S167 | S167-S169 PolarHBondContact O-N 3.34Š| ||
| 170 | R | 38.5 | Very low | 38.4 | Very low | 233 Ų | 233 | 165 Ų | 165 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -152.2 | 61.7 | 170.6 | -123.6 | 179.7 | -167.1 | -164.5 | 4.4 | 116.2 | S168 | S168-R170 PolarHBondContact O-N 2.95Š| ||
| 171 | H | 35.1 | Very low | 38.2 | Very low | 189 Ų | 189 | 160.8 Ų | 160.8 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -144.2 | 120.6 | 142 | -140.9 | 72 | 0 | 0 | 0 | 111.6 | ||||
| 172 | N | 36.1 | Very low | 37.5 | Very low | 148 Ų | 148 | 159.1 Ų | 159.1 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 148.8 | -179.2 | -94.7 | -24.7 | 0 | 0 | 0 | 111.3 | ||||
| 173 | S | 35.1 | Very low | 37.1 | Very low | 103 Ų | 103 | 158.2 Ų | 158.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 130.7 | 177.8 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 174 | F | 37 | Very low | 36.3 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -105.7 | 87.3 | 155.2 | -93 | -78 | 0 | 0 | 0 | 110.7 | R176 | F174-R176 PolarHBondContact O-N 2.75Š| ||
| 175 | R | 36.5 | Very low | 35.7 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -87.7 | 96.8 | 168.6 | -165.7 | -179.8 | -163.8 | 166.6 | 4.5 | 107.8 | ||||
| 176 | R | 39.6 | Very low | 35.3 | Very low | 228 Ų | 228 | 153.8 Ų | 153.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 132.7 | 167.5 | -87.7 | -171.3 | -179.9 | 169.4 | 2.8 | 109.9 | F174 | F174-R176 PolarHBondContact O-N 2.75Š|
| 177 | H | 34.4 | Very low | 35.1 | Very low | 165 Ų | 165 | 154.3 Ų | 154.3 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 140.6 | -173.8 | -65.2 | -107.8 | 0 | 0 | 0 | 111.1 | ||
| 178 | L | 39.3 | Very low | 35 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.6 | 157.2 | -86 | 82.3 | 0 | 0 | 0 | 109 | R180 | L178-R180 PolarHBondContact O-N 3.37Š|
| 179 | P | 40.9 | Very low | 34.7 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.7 | 158.2 | -13.7 | 30 | 0 | 0 | 0 | 109.6 | ||
| 180 | R | 34.2 | Very low | 34.4 | Very low | 230 Ų | 230 | 159.7 Ų | 159.7 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 149.8 | 162.9 | -172.2 | -176.7 | -173.5 | 177.6 | 1.6 | 108.5 | L178 | L178-R180 PolarHBondContact O-N 3.37Š|
| 181 | Q | 34 | Very low | 34.1 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | 140.8 | 133.6 | 118.9 | -169.7 | 162.2 | -19.8 | 0 | 0 | 115.7 | |||||
| 182 | M | 29 | Very low | 33.9 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | 69.6 | 143.5 | 155.1 | -82.9 | 167.7 | 161.6 | 0 | 0 | 118.4 | ||||
| 183 | Q | 27.6 | Very low | 33.7 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | cis | -170 | 160.6 | -9.3 | -136.2 | 174.9 | -29.5 | 0 | 0 | 109.6 | ||||
| 184 | V | 28.8 | Very low | 33.7 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | 62.9 | 138.4 | 144.8 | 159.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 185 | S | 28.7 | Very low | 34 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -162 | 166.6 | -8.5 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 186 | S | 39.1 | Very low | 33.7 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -56.2 | 145.6 | 167 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 187 | V | 34 | Very low | 33.4 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | -159.3 | 140.2 | 123.9 | -107 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 188 | D | 33.3 | Very low | 33.3 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -72.6 | 161.4 | 166 | -55.5 | -74.4 | 0 | 0 | 0 | 111.6 | ||||
| 189 | F | 29.6 | Very low | 33 | Very low | 209 Ų | 209 | 144.2 Ų | 144.2 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | -170.8 | 158.4 | 119.6 | -117.5 | -87.2 | 0 | 0 | 0 | 112.4 | |||||
| 190 | S | 32.7 | Very low | 32.4 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -98 | 167.4 | -160.5 | -51.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 191 | M | 31.3 | Very low | 32.4 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 95% | 0.946 | 77% | 0.765 | S | S | * | * | trans | 86.1 | 128.1 | 138 | -162.3 | 175.9 | -67.3 | 0 | 0 | 119.7 | ||||
| 192 | G | 30 | Very low | 32.5 | Very low | 60 Ų | 60 | 138.3 Ų | 138.3 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | trans | 133.2 | 102.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 193 | T | 32.8 | Very low | 32.9 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | 62.9 | 118.4 | 136 | -0.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 194 | E | 34.4 | Very low | 33.7 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -48.2 | 150.8 | 145.2 | -87.9 | -75.1 | 140.8 | 0 | 0 | 111.7 | ||||
| 195 | P | 44.3 | Very low | 34.3 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | -158.5 | 154.3 | 73.6 | 42.8 | -21.7 | 0 | 0 | 0 | 120.2 | |||||
| 196 | V | 29.7 | Very low | 35.4 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 67% | 0.667 | 80% | 0.797 | S | S | * | * | 69.4 | 113.8 | 127.7 | 173.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 197 | L | 34.3 | Very low | 36.1 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 64 | 119 | 137.2 | -70.4 | 179.1 | 0 | 0 | 0 | 125.4 | ||||
| 198 | Q | 32.2 | Very low | 36.8 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 107.5 | 113.9 | 114.5 | -168.3 | 164.5 | 87.4 | 0 | 0 | 122.6 | |||||
| 199 | R | 31.7 | Very low | 37.8 | Very low | 238 Ų | 238 | 143.5 Ų | 143.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | 67.5 | 124.8 | 141.6 | -172.9 | -175.5 | -73.3 | -152.6 | -0.8 | 120.6 | ||||
| 200 | G | 28.6 | Very low | 38.7 | Very low | 74 Ų | 74 | 140.5 Ų | 140.5 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 160.6 | 111.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 201 | E | 33.8 | Very low | 39.7 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -54.5 | 159.9 | 162.1 | -75.3 | 166.2 | 138.8 | 0 | 0 | 112.5 | ||||
| 202 | T | 37.5 | Very low | 40.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | cis | -159.4 | -176.1 | 11.3 | 19.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 203 | T | 36.5 | Very low | 41.7 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | 109.4 | 140.9 | 159 | 72.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 204 | T | 45.6 | Very low | 42.2 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | -86.6 | 131.7 | -159.5 | 44.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 205 | S | 41.1 | Very low | 42.6 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -133 | 104.2 | 152.2 | 46.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 206 | I | 50.3 | Low | 42.5 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 135.5 | 170.3 | -77.8 | 162.3 | 0 | 0 | 0 | 108.4 | ||
| 207 | G | 54 | Low | 42.7 | Very low | 69 Ų | 69 | 151.1 Ų | 151.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125 | -1.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | I209 | G207-I209 PolarHBondContact O-N 3.03Š|
| 208 | R | 50.1 | Low | 42.8 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -81.7 | 112.6 | 172.6 | -116.8 | 179.5 | -178.5 | 173.5 | 0.8 | 111.3 | K210 | R208-K210 PolarHBondContact O-N 2.74Š| ||
| 209 | I | 53.8 | Low | 43.1 | Very low | 127 Ų | 127 | 147 Ų | 147 | 65% | 0.651 | 76% | 0.761 | S | S | * | * | trans | -58.2 | 124.5 | 170.7 | -63.2 | 173.9 | 0 | 0 | 0 | 108.8 | G207 P211 Y214 | G207-I209 PolarHBondContact O-N 3.03Å; I209-P211 WeakPolarHBondContact O-CD 3.45Å; I209-Y214 HydrophobicContact CG2-CD2 3.61Å; I209-Y214 HydrophobicContact CG2-CE2 3.62Å | ||
| 210 | K | 48.8 | Very low | 43.3 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | trans | -78.4 | 116.4 | 170.3 | -72.7 | -175.8 | 176.4 | -179.6 | 0 | 108.8 | R208 E212 L213 | R208-K210 PolarHBondContact O-N 2.74Å; K210-E212 PolarHBondContact O-N 3.36Å; K210-L213 HydrophobicContact CB-CD1 4.36Å; K210-L213 PolarHBondContact O-N 3.16Å | ||
| 211 | P | 53.9 | Low | 43.8 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -63.3 | -24.3 | 178.7 | 24.8 | -33.2 | 0 | 0 | 0 | 112.7 | I209 L213 Y214 K215 | I209-P211 WeakPolarHBondContact O-CD 3.45Å; P211-L213 PolarHBondContact O-N 3.43Å; P211-Y214 CarbonylContact O-C 3.46Å; P211-Y214 PolarHBondContact O-N 3.14Å; P211-K215 PolarHBondContact O-N 3.03Å; P211-K215 VanDerWaalsContact O-N 3.17Å |
| 212 | E | 56.2 | Low | 43.8 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -63.5 | -21.4 | 173.7 | -56.1 | -55.4 | 145.2 | 0 | 0 | 114.1 | K210 K215 | K210-E212 PolarHBondContact O-N 3.36Å; E212-K215 VanDerWaalsContact CD-NZ 3.35Å; E212-K215 IonicContact OE1-NZ 3.58Å; E212-K215 PolarHBondContact OE1-NZ 3.37Å; E212-K215 WeakPolarHBondContact OE2-CE 3.48Å; E212-K215 IonicContact OE2-NZ 3.93Å; E212-K215 PolarHBondContact OE2-NZ 3.11Å |
| 213 | L | 45.7 | Very low | 43.6 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -86.7 | -10 | 173.3 | -88.1 | 164.3 | 0 | 0 | 0 | 113.4 | K210 P211 | K210-L213 HydrophobicContact CB-CD1 4.36Å; K210-L213 PolarHBondContact O-N 3.16Å; P211-L213 PolarHBondContact O-N 3.43Å |
| 214 | Y | 44.4 | Very low | 43.4 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | -118.3 | 16.5 | 178.9 | -71.3 | -90.8 | 0 | 0 | 0 | 112.5 | I209 P211 Q216 | I209-Y214 HydrophobicContact CG2-CD2 3.61Å; I209-Y214 HydrophobicContact CG2-CE2 3.62Å; P211-Y214 CarbonylContact O-C 3.46Å; P211-Y214 PolarHBondContact O-N 3.14Å; Y214-Q216 PolarHBondContact O-N 3.04Å | ||
| 215 | K | 42.9 | Very low | 42.8 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | trans | -66.4 | 91.6 | 157.4 | -82.9 | 176.8 | -179.7 | 159 | 0 | 107.8 | P211 E212 R217 | P211-K215 PolarHBondContact O-N 3.03Å; P211-K215 VanDerWaalsContact O-N 3.17Å; E212-K215 VanDerWaalsContact CD-NZ 3.35Å; E212-K215 IonicContact OE1-NZ 3.58Å; E212-K215 PolarHBondContact OE1-NZ 3.37Å; E212-K215 WeakPolarHBondContact OE2-CE 3.48Å; E212-K215 IonicContact OE2-NZ 3.93Å; E212-K215 PolarHBondContact OE2-NZ 3.11Å; K215-R217 PolarHBondContact O-N 3.31Å | ||
| 216 | Q | 41.5 | Very low | 42.7 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -50.9 | 102.1 | 167.8 | -175.6 | 171.4 | -29.4 | 0 | 0 | 107.7 | Y214 S218 | Y214-Q216 PolarHBondContact O-N 3.04Å; Q216-S218 PolarHBondContact O-N 3.04Å; Q216-S218 VanDerWaalsContact O-N 3.17Å | ||
| 217 | R | 34.7 | Very low | 42.3 | Very low | 229 Ų | 229 | 145.5 Ų | 145.5 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -50 | 125.6 | 163.3 | -93.2 | 179.7 | 168.9 | 163.5 | -4.6 | 105.8 | K215 V219 | K215-R217 PolarHBondContact O-N 3.31Å; R217-V219 PolarHBondContact O-N 2.82Å | ||
| 218 | S | 35.2 | Very low | 41.9 | Very low | 82 Ų | 82 | 150.3 Ų | 150.3 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | trans | -49.6 | 132.7 | 160 | 37.5 | 0 | 0 | 0 | 0 | 106.9 | Q216 D220 | Q216-S218 PolarHBondContact O-N 3.04Å; Q216-S218 VanDerWaalsContact O-N 3.17Å; S218-D220 WeakPolarHBondContact CB-OD2 3.37Å; S218-D220 PolarHBondContact O-N 3.49Å; S218-D220 PolarHBondContact OG-OD2 3.13Å | ||
| 219 | V | 39.9 | Very low | 42.3 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | trans | -77.4 | 67.1 | 169.9 | -175.8 | 0 | 0 | 0 | 0 | 106.3 | R217 S221 | R217-V219 PolarHBondContact O-N 2.82Å; V219-S221 PolarHBondContact O-N 3.09Å | ||
| 220 | D | 34.8 | Very low | 43.3 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -70.6 | 114 | 160.9 | -65.9 | -55.1 | 0 | 0 | 0 | 105.4 | S218 | S218-D220 WeakPolarHBondContact CB-OD2 3.37Å; S218-D220 PolarHBondContact O-N 3.49Å; S218-D220 PolarHBondContact OG-OD2 3.13Å | ||
| 221 | S | 39 | Very low | 45 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -40 | 143.4 | -162.7 | -56.1 | 0 | 0 | 0 | 0 | 115.4 | V219 | V219-S221 PolarHBondContact O-N 3.09Š| ||
| 222 | E | 34.3 | Very low | 46.7 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | -42.3 | 141.3 | 169.9 | -61.8 | 176.6 | 126.4 | 0 | 0 | 111.7 | N224 | E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å | ||
| 223 | G | 33.8 | Very low | 48.4 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 67% | 0.674 | S | S | * | * | trans | -61.3 | 89 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q225 | G223-Q225 PolarHBondContact O-N 3.45Š| ||
| 224 | N | 31.4 | Very low | 50.8 | Low | 130 Ų | 130 | 129 Ų | 129 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | trans | -61.9 | 119.1 | 155.3 | -166.4 | 26.8 | 0 | 0 | 0 | 106.4 | E222 K226 | E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å; N224-K226 PolarHBondContact O-N 2.93Å | ||
| 225 | Q | 33.7 | Very low | 53.3 | Low | 186 Ų | 186 | 120.6 Ų | 120.6 | 87% | 0.869 | 63% | 0.625 | S | S | * | * | trans | -68.4 | 78.4 | 169.4 | -68 | -178.5 | 14.2 | 0 | 0 | 107.8 | G223 E227 | G223-Q225 PolarHBondContact O-N 3.45Å; Q225-E227 PolarHBondContact O-N 2.83Å; Q225-E227 VanDerWaalsContact O-N 3.14Å | ||
| 226 | K | 38.1 | Very low | 55.9 | Low | 176 Ų | 176 | 114.1 Ų | 114.1 | 77% | 0.765 | 60% | 0.597 | S | S | * | * | trans | -66.3 | 109 | 157 | -74 | -172.9 | 176 | -176.4 | 0 | 105.1 | N224 D228 | N224-K226 PolarHBondContact O-N 2.93Å; K226-D228 PolarHBondContact O-N 2.75Å | ||
| 227 | E | 41.9 | Very low | 58.6 | Low | 154 Ų | 154 | 105.3 Ų | 105.3 | 72% | 0.72 | 56% | 0.556 | S | S | * | * | trans | -44.5 | 139.6 | 165.7 | -59.9 | 173.5 | 157 | 0 | 0 | 108.8 | Q225 V229 | Q225-E227 PolarHBondContact O-N 2.83Å; Q225-E227 VanDerWaalsContact O-N 3.14Å; E227-V229 PolarHBondContact O-N 3.31Å | ||
| 228 | D | 44.9 | Very low | 61.5 | Low | 170 Ų | 170 | 94.6 Ų | 94.6 | 91% | 0.909 | 52% | 0.516 | S | S | * | . | trans | -66.9 | 84.5 | 172.7 | -81.1 | -44.8 | 0 | 0 | 0 | 108.4 | K226 K230 | K226-D228 PolarHBondContact O-N 2.75Å; D228-K230 VanDerWaalsContact C-N 3.34Å; D228-K230 PolarHBondContact O-N 3.08Å | ||
| 229 | V | 58.5 | Low | 64.3 | Low | 75 Ų | 75 | 90.7 Ų | 90.7 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | trans | -62.6 | 98.5 | 179.9 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | E227 T231 H355 | E227-V229 PolarHBondContact O-N 3.31Å; V229-T231 PolarHBondContact O-N 2.9Å; V229-H355 HydrophobicContact CG1-CB 4.1Å; V229-H355 WeakPolarHBondContact CG1-ND1 3.4Å | ||
| 230 | K | 76.1 | Confident | 66.9 | Low | 162 Ų | 162 | 87.7 Ų | 87.7 | 70% | 0.704 | 47% | 0.465 | S | S | * | . | trans | -52.8 | 125 | -179.8 | -167.7 | 179 | 179.3 | 177.6 | 0 | 109.1 | D228 C356 | D228-K230 VanDerWaalsContact C-N 3.34Å; D228-K230 PolarHBondContact O-N 3.08Å; K230-C356 VanDerWaalsContact C-SG 3.57Å; K230-C356 HydrophobicContact CB-CB 4.36Å; K230-C356 WeakPolarHBondContact O-CB 3.4Å; K230-C356 PolarHBondContact O-N 2.95Å; K230-C356 PolarHBondContact O-SG 2.86Å | ||
| 231 | T | 83.9 | Confident | 69.7 | Low | 80 Ų | 80 | 81.8 Ų | 81.8 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.7 | 177.4 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | V229 D353 I354 | V229-T231 PolarHBondContact O-N 2.9Å; T231-D353 HydrophobicContact CG2-CB 4.02Å; T231-I354 CarbonylContact C-O 3.57Å; T231-I354 WeakPolarHBondContact CA-O 3.49Å |
| 232 | C | 88.8 | Confident | 72.3 | Confident | 16 Ų | 16 | 78.5 Ų | 78.5 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 45.4 | -175.8 | -88.1 | 0 | 0 | 0 | 0 | 110.8 | P259 I330 I354 C356 | C232-P259 HydrophobicContact CB-CG 4.11Å; C232-P259 WeakPolarHBondContact O-CD 3.27Å; C232-I330 HydrophobicContact CB-CG2 4.07Å; C232-I330 PolarHBondContact SG-O 3Å; C232-I330 VanDerWaalsContact SG-O 3.4Å; C232-I354 HydrophobicContact CB-CG2 4.19Å; C232-I354 PolarHBondContact N-O 3.46Å; C232-C356 VanDerWaalsContact CA-SG 3.59Å; C232-C356 HydrophobicContact CB-CB 4Å; C232-C356 WeakPolarHBondContact CB-SG 3.24Å; C232-C356 PolarHBondContact N-SG 3.04Å; C232-C356 VanDerWaalsContact N-SG 3.41Å; C232-C356 WeakPolarHBondContact SG-CA 3.41Å; C232-C356 WeakPolarHBondContact SG-CB 3.47Å; C232-C356 CovalentContact SG-SG 2.03Å; C232-C356 PolarHBondContact SG-SG 3.34Å |
| 233 | G | 93.3 | Very high | 75.1 | Confident | 9 Ų | 9 | 75.5 Ų | 75.5 | 9% | 0.093 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.9 | -162.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L256 D257 I354 | G233-L256 CarbonylContact C-O 3.38Å; G233-L256 WeakPolarHBondContact CA-O 3.48Å; G233-D257 WeakPolarHBondContact CA-O 3.24Å; G233-D257 PolarHBondContact N-O 3.35Å; G233-I354 PolarHBondContact O-N 2.61Å |
| 234 | K | 96.1 | Very high | 77.9 | Confident | 90 Ų | 90 | 80.3 Ų | 80.3 | 39% | 0.391 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.1 | -177.9 | -53.4 | -172.2 | -176 | -104.9 | 0 | 111.6 | A255 L256 W351 K352 D353 | K234-A255 CarbonylContact O-C 3.05Å; K234-A255 WeakPolarHBondContact O-CA 3.48Å; K234-A255 WeakPolarHBondContact O-CB 3.37Å; K234-L256 PolarHBondContact N-O 3.34Å; K234-L256 PolarHBondContact O-N 2.86Å; K234-W351 HydrophobicContact CB-CE3 4.07Å; K234-W351 HydrophobicContact CB-CZ3 4.24Å; K234-K352 CarbonylContact C-O 3.42Å; K234-K352 WeakPolarHBondContact CA-O 3.35Å; K234-D353 WeakPolarHBondContact CD-OD1 3.21Å; K234-D353 WeakPolarHBondContact CE-OD1 3.26Å; K234-D353 WeakPolarHBondContact CG-OD1 3.1Å; K234-D353 IonicContact NZ-OD1 3.71Å; K234-D353 PolarHBondContact NZ-OD1 3.07Å |
| 235 | L | 97.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.9 | 174.4 | -170.4 | 66.4 | 0 | 0 | 0 | 110.4 | F237 I252 A255 V271 F316 V333 W351 K352 I354 | L235-F237 HydrophobicContact CD2-CD1 4.15Å; L235-F237 HydrophobicContact CG-CD1 4.1Å; L235-I252 HydrophobicContact CD1-CG2 4.13Å; L235-A255 HydrophobicContact CD1-CB 4.07Å; L235-V271 HydrophobicContact CD1-CG2 4.18Å; L235-F316 HydrophobicContact CD2-CB 3.85Å; L235-F316 HydrophobicContact CD2-CD1 4.44Å; L235-F316 HydrophobicContact CD2-CD2 3.92Å; L235-F316 HydrophobicContact CD2-CG 3.82Å; L235-V333 HydrophobicContact CB-CG2 4.35Å; L235-V333 HydrophobicContact CD2-CG2 4.44Å; L235-W351 WeakPolarHBondContact O-CA 3.4Å; L235-K352 PolarHBondContact N-O 3.06Å; L235-K352 PolarHBondContact O-N 2.67Å; L235-I354 HydrophobicContact CB-CD1 4.18Å; L235-I354 HydrophobicContact CB-CG1 3.97Å |
| 236 | N | 97.4 | Very high | 83.7 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.043 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.1 | 174.5 | -178.2 | -16.8 | 0 | 0 | 0 | 110.1 | I253 K254 T349 V350 W351 | N236-I253 PolarHBondContact O-N 2.87Å; N236-K254 WeakPolarHBondContact CA-O 3.46Å; N236-K254 HydrophobicContact CB-CG 3.92Å; N236-K254 WeakPolarHBondContact CB-O 3.24Å; N236-K254 PolarHBondContact N-O 2.87Å; N236-K254 PolarHBondContact O-N 2.94Å; N236-T349 WeakPolarHBondContact OD1-CG2 3.15Å; N236-V350 WeakPolarHBondContact CA-O 3.26Å; N236-W351 HydrophobicContact CB-CD2 3.86Å; N236-W351 HydrophobicContact CB-CE3 3.72Å; N236-W351 HydrophobicContact CB-CH2 3.82Å; N236-W351 HydrophobicContact CB-CZ2 3.95Å; N236-W351 HydrophobicContact CB-CZ3 3.7Å; N236-W351 WeakPolarHBondContact ND2-CZ2 3.33Å; N236-W351 PolarHBondContact ND2-NE1 2.7Å |
| 237 | F | 96.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 158.6 | 179 | 56.9 | -86.6 | 0 | 0 | 0 | 110.4 | L235 L239 K251 I252 F316 L335 V350 K352 | L235-F237 HydrophobicContact CD2-CD1 4.15Å; L235-F237 HydrophobicContact CG-CD1 4.1Å; F237-L239 HydrophobicContact CD2-CD2 3.93Å; F237-L239 HydrophobicContact CD2-CG 3.91Å; F237-L239 HydrophobicContact CE2-CD1 3.96Å; F237-L239 HydrophobicContact CE2-CD2 4.11Å; F237-L239 HydrophobicContact CE2-CG 3.85Å; F237-K251 CarbonylContact C-O 3.54Å; F237-K251 WeakPolarHBondContact CA-O 3.46Å; F237-K251 VanDerWaalsContact CB-O 3.23Å; F237-K251 WeakPolarHBondContact CB-O 3.42Å; F237-I252 HydrophobicContact CB-CD1 3.79Å; F237-F316 AromaticContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CZ 4.35Å; F237-F316 HydrophobicContact CD2-CE2 4.09Å; F237-F316 HydrophobicContact CD2-CZ 4.08Å; F237-F316 HydrophobicContact CE1-CD2 4.34Å; F237-F316 AromaticContact CE1-CE2 3.79Å; F237-F316 HydrophobicContact CE1-CE2 3.79Å; F237-F316 AromaticContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CZ 4.34Å; F237-F316 HydrophobicContact CG-CE2 4.08Å; F237-F316 HydrophobicContact CG-CZ 4.09Å; F237-F316 AromaticContact CZ-CE2 3.83Å; F237-F316 HydrophobicContact CZ-CE2 3.83Å; F237-L335 HydrophobicContact CE2-CD1 3.71Å; F237-L335 HydrophobicContact CZ-CD1 3.68Å; F237-L335 HydrophobicContact CZ-CD2 4.17Å; F237-L335 HydrophobicContact CZ-CG 4.43Å; F237-V350 HydrophobicContact CD2-CB 4.19Å; F237-V350 HydrophobicContact CE1-CB 4.42Å; F237-V350 HydrophobicContact CE1-CG1 4.15Å; F237-V350 HydrophobicContact CE2-CB 3.69Å; F237-V350 HydrophobicContact CE2-CG1 3.83Å; F237-V350 HydrophobicContact CE2-CG2 4.21Å; F237-V350 HydrophobicContact CZ-CB 3.81Å; F237-V350 HydrophobicContact CZ-CG1 3.47Å; F237-V350 VanDerWaalsContact CZ-CG1 3.47Å; F237-V350 PolarHBondContact N-O 2.85Å; F237-V350 VanDerWaalsContact N-O 3.13Å; F237-V350 PolarHBondContact O-N 3.25Å; F237-K352 HydrophobicContact CE1-CB 4.31Å; F237-K352 HydrophobicContact CE1-CG 4.16Å; F237-K352 HydrophobicContact CZ-CG 4.15Å |
| 238 | T | 95.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 149.2 | 166.3 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | K251 I253 E347 A348 T349 | T238-K251 PolarHBondContact N-O 2.96Å; T238-K251 PolarHBondContact O-N 2.88Å; T238-K251 WeakPolarHBondContact OG1-CB 3.48Å; T238-I253 HydrophobicContact CG2-CD1 3.69Å; T238-E347 WeakPolarHBondContact CB-OE1 3.27Å; T238-E347 HydrophobicContact CG2-CG 3.75Å; T238-E347 PolarHBondContact OG1-OE1 2.93Å; T238-A348 VanDerWaalsContact CA-O 3.28Å; T238-A348 WeakPolarHBondContact CA-O 3.13Å; T238-A348 WeakPolarHBondContact CB-O 3.06Å; T238-T349 HydrophobicContact CG2-CG2 4.44Å |
| 239 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.6 | 172.6 | -59.7 | 178.8 | 0 | 0 | 0 | 108.9 | F237 V250 L314 L335 L338 L344 A348 | F237-L239 HydrophobicContact CD2-CD2 3.93Å; F237-L239 HydrophobicContact CD2-CG 3.91Å; F237-L239 HydrophobicContact CE2-CD1 3.96Å; F237-L239 HydrophobicContact CE2-CD2 4.11Å; F237-L239 HydrophobicContact CE2-CG 3.85Å; L239-V250 HydrophobicContact CD2-CB 4.29Å; L239-V250 HydrophobicContact CD2-CG1 3.99Å; L239-V250 HydrophobicContact CD2-CG2 3.84Å; L239-L314 HydrophobicContact CD2-CD2 3.6Å; L239-L335 HydrophobicContact CD1-CD1 3.99Å; L239-L338 HydrophobicContact CD1-CD2 4.46Å; L239-L344 HydrophobicContact CB-CD2 3.83Å; L239-L344 HydrophobicContact CD1-CD2 4.4Å; L239-A348 PolarHBondContact N-O 2.99Å; L239-A348 PolarHBondContact O-N 3.06Å |
| 240 | Q | 94.1 | Very high | 93 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.4 | 171.8 | -175.4 | -179.5 | 5.1 | 0 | 0 | 108.6 | V249 E347 | Q240-V249 HydrophobicContact CB-CB 4.41Å; Q240-V249 PolarHBondContact N-O 2.83Å; Q240-V249 WeakPolarHBondContact O-CA 3.42Å; Q240-V249 WeakPolarHBondContact O-CB 3.49Å; Q240-V249 PolarHBondContact O-N 3.39Å; Q240-E347 HydrophobicContact CB-CB 4.49Å |
| 241 | Y | 94.3 | Very high | 94 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.2 | 170.9 | -171.1 | -98.5 | 0 | 0 | 0 | 111.1 | Y243 E246 L247 L248 V304 Y306 L309 L344 | Y241-Y243 AromaticContact CD1-CD1 3.66Å; Y241-Y243 HydrophobicContact CD1-CD1 3.66Å; Y241-Y243 AromaticContact CD1-CD2 3.92Å; Y241-Y243 HydrophobicContact CD1-CD2 3.92Å; Y241-Y243 AromaticContact CD1-CE1 3.73Å; Y241-Y243 HydrophobicContact CD1-CE1 3.73Å; Y241-Y243 AromaticContact CD1-CE2 3.97Å; Y241-Y243 HydrophobicContact CD1-CE2 3.97Å; Y241-Y243 AromaticContact CD1-CG 3.77Å; Y241-Y243 HydrophobicContact CD1-CG 3.77Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 AromaticContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CE1 4.08Å; Y241-Y243 HydrophobicContact CE1-CG 4Å; Y241-E246 WeakPolarHBondContact OH-CA 2.81Å; Y241-L247 WeakPolarHBondContact CD2-O 3.33Å; Y241-L248 HydrophobicContact CD2-CB 4.29Å; Y241-V304 HydrophobicContact CE2-CG1 4.48Å; Y241-V304 WeakPolarHBondContact CE2-O 3.32Å; Y241-V304 PolarHBondContact OH-O 2.63Å; Y241-Y306 AromaticContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CE2 4.3Å; Y241-Y306 AromaticContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CG 4.19Å; Y241-Y306 HydrophobicContact CG-CD2 4.09Å; Y241-Y306 PolarHBondContact OH-N 3.44Å; Y241-L309 HydrophobicContact CD2-CD1 3.68Å; Y241-L309 HydrophobicContact CE2-CD1 3.87Å; Y241-L309 HydrophobicContact CG-CD1 4.25Å; Y241-L344 PolarHBondContact N-O 2.87Å |
| 242 | D | 93.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 107.8 | 171.8 | -179.6 | -12.2 | 0 | 0 | 0 | 109.1 | E244 N245 E246 L247 V249 | D242-E244 PolarHBondContact OD1-N 2.9Å; D242-N245 PolarHBondContact OD1-N 3.09Å; D242-N245 VanDerWaalsContact OD1-N 3.13Å; D242-N245 PolarHBondContact OD1-ND2 2.98Å; D242-N245 PolarHBondContact OD2-ND2 2.87Å; D242-E246 WeakPolarHBondContact O-CA 3.16Å; D242-E246 PolarHBondContact O-N 3.44Å; D242-E246 VanDerWaalsContact O-N 3.09Å; D242-L247 HydrophobicContact CB-CB 4.27Å; D242-L247 PolarHBondContact N-O 3.04Å; D242-L247 PolarHBondContact O-N 2.89Å; D242-L247 VanDerWaalsContact O-N 3.12Å; D242-V249 HydrophobicContact CB-CG2 4.41Å |
| 243 | Y | 91.9 | Very high | 95.1 | Very high | 121 Ų | 121 | 42.4 Ų | 42.4 | 48% | 0.475 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.3 | 180 | -64.3 | -91.1 | 0 | 0 | 0 | 113.7 | Y241 Y306 | Y241-Y243 AromaticContact CD1-CD1 3.66Å; Y241-Y243 HydrophobicContact CD1-CD1 3.66Å; Y241-Y243 AromaticContact CD1-CD2 3.92Å; Y241-Y243 HydrophobicContact CD1-CD2 3.92Å; Y241-Y243 AromaticContact CD1-CE1 3.73Å; Y241-Y243 HydrophobicContact CD1-CE1 3.73Å; Y241-Y243 AromaticContact CD1-CE2 3.97Å; Y241-Y243 HydrophobicContact CD1-CE2 3.97Å; Y241-Y243 AromaticContact CD1-CG 3.77Å; Y241-Y243 HydrophobicContact CD1-CG 3.77Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 AromaticContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CE1 4.08Å; Y241-Y243 HydrophobicContact CE1-CG 4Å; Y243-Y306 HydrophobicContact CD1-CD2 4.32Å; Y243-Y306 AromaticContact CE1-CD2 3.55Å; Y243-Y306 HydrophobicContact CE1-CD2 3.55Å; Y243-Y306 AromaticContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CE2 3.5Å; Y243-Y306 VanDerWaalsContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CG 4.11Å; Y243-Y306 AromaticContact CZ-CE2 3.71Å; Y243-Y306 VanDerWaalsContact OH-CE2 3.26Å; Y243-Y306 WeakPolarHBondContact OH-CE2 3.14Å |
| 244 | E | 92.9 | Very high | 95.2 | Very high | 181 Ų | 181 | 45 Ų | 45 | 85% | 0.846 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -36.2 | -179.8 | -62.2 | -174.4 | 176.7 | 0 | 0 | 111.1 | D242 | D242-E244 PolarHBondContact OD1-N 2.9Š|
| 245 | N | 93.2 | Very high | 95.3 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -0.4 | -176.7 | -61.2 | -75.3 | 0 | 0 | 0 | 114.5 | D242 L247 | D242-N245 PolarHBondContact OD1-N 3.09Å; D242-N245 VanDerWaalsContact OD1-N 3.13Å; D242-N245 PolarHBondContact OD1-ND2 2.98Å; D242-N245 PolarHBondContact OD2-ND2 2.87Å; N245-L247 HydrophobicContact CB-CD1 3.82Å; N245-L247 HydrophobicContact CB-CG 3.76Å; N245-L247 WeakPolarHBondContact O-CG 3.31Å |
| 246 | E | 94.1 | Very high | 95.3 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 53% | 0.528 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 46.6 | -173.3 | -57.3 | -169 | 141.9 | 0 | 0 | 113.9 | Y241 D242 V304 | Y241-E246 WeakPolarHBondContact OH-CA 2.81Å; D242-E246 WeakPolarHBondContact O-CA 3.16Å; D242-E246 PolarHBondContact O-N 3.44Å; D242-E246 VanDerWaalsContact O-N 3.09Å; E246-V304 CarbonylContact O-C 3.49Å; E246-V304 PolarHBondContact O-N 3.38Å; E246-V304 VanDerWaalsContact O-O 3.12Å |
| 247 | L | 94.5 | Very high | 95.1 | Very high | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.9 | -176.3 | -53.1 | 179.7 | 0 | 0 | 0 | 111.8 | Y241 D242 N245 V249 Q301 F302 P303 | Y241-L247 WeakPolarHBondContact CD2-O 3.33Å; D242-L247 HydrophobicContact CB-CB 4.27Å; D242-L247 PolarHBondContact N-O 3.04Å; D242-L247 PolarHBondContact O-N 2.89Å; D242-L247 VanDerWaalsContact O-N 3.12Å; N245-L247 HydrophobicContact CB-CD1 3.82Å; N245-L247 HydrophobicContact CB-CG 3.76Å; N245-L247 WeakPolarHBondContact O-CG 3.31Å; L247-V249 PolarHBondContact O-N 2.88Å; L247-Q301 HydrophobicContact CD1-CB 4.33Å; L247-Q301 HydrophobicContact CD1-CG 4.47Å; L247-F302 WeakPolarHBondContact CA-O 3.46Å; L247-P303 HydrophobicContact CD2-CB 3.74Å |
| 248 | L | 93.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 110.8 | 161.1 | 178.3 | 68.7 | 0 | 0 | 0 | 108.9 | Y241 V250 L275 F302 V304 L309 L338 L344 | Y241-L248 HydrophobicContact CD2-CB 4.29Å; L248-V250 HydrophobicContact CD2-CG2 4.19Å; L248-V250 HydrophobicContact CG-CG2 3.99Å; L248-L275 HydrophobicContact CD2-CD1 4.04Å; L248-F302 HydrophobicContact CB-CB 4.34Å; L248-F302 PolarHBondContact N-O 2.98Å; L248-F302 PolarHBondContact O-N 3.43Å; L248-V304 HydrophobicContact CB-CG1 3.81Å; L248-L309 HydrophobicContact CB-CD2 4.34Å; L248-L309 HydrophobicContact CD2-CD2 4.16Å; L248-L338 HydrophobicContact CD2-CD1 3.86Å; L248-L344 HydrophobicContact CD1-CD2 4.26Å |
| 249 | V | 95.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126 | 175.4 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | Q240 D242 L247 T299 F300 Q301 | Q240-V249 HydrophobicContact CB-CB 4.41Å; Q240-V249 PolarHBondContact N-O 2.83Å; Q240-V249 WeakPolarHBondContact O-CA 3.42Å; Q240-V249 WeakPolarHBondContact O-CB 3.49Å; Q240-V249 PolarHBondContact O-N 3.39Å; D242-V249 HydrophobicContact CB-CG2 4.41Å; L247-V249 PolarHBondContact O-N 2.88Å; V249-T299 HydrophobicContact CG1-CG2 3.5Å; V249-T299 VanDerWaalsContact CG1-CG2 3.5Å; V249-F300 WeakPolarHBondContact CA-O 3.46Å; V249-Q301 HydrophobicContact CG2-CG 4.41Å |
| 250 | V | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.5 | -178.8 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | L239 L248 I252 M273 F300 F302 L314 F316 | L239-V250 HydrophobicContact CD2-CB 4.29Å; L239-V250 HydrophobicContact CD2-CG1 3.99Å; L239-V250 HydrophobicContact CD2-CG2 3.84Å; L248-V250 HydrophobicContact CD2-CG2 4.19Å; L248-V250 HydrophobicContact CG-CG2 3.99Å; V250-I252 HydrophobicContact CG1-CD1 4.21Å; V250-M273 HydrophobicContact CB-SD 4.46Å; V250-M273 HydrophobicContact CG1-CE 4.23Å; V250-M273 HydrophobicContact CG1-SD 4.23Å; V250-F300 PolarHBondContact N-O 2.92Å; V250-F300 PolarHBondContact O-N 3.24Å; V250-F302 HydrophobicContact CB-CE2 4.47Å; V250-F302 HydrophobicContact CG2-CD2 3.91Å; V250-F302 HydrophobicContact CG2-CE2 3.99Å; V250-L314 HydrophobicContact CG1-CD2 4.08Å; V250-L314 HydrophobicContact CG2-CD1 4.42Å; V250-L314 HydrophobicContact CG2-CD2 3.84Å; V250-F316 HydrophobicContact CG1-CE1 3.8Å; V250-F316 HydrophobicContact CG1-CZ 3.78Å |
| 251 | K | 96.7 | Very high | 94 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.7 | 179.3 | 172.2 | -177.7 | -176.9 | -176.3 | 0 | 110.5 | F237 T238 I253 D297 E298 T299 | F237-K251 CarbonylContact C-O 3.54Å; F237-K251 WeakPolarHBondContact CA-O 3.46Å; F237-K251 VanDerWaalsContact CB-O 3.23Å; F237-K251 WeakPolarHBondContact CB-O 3.42Å; T238-K251 PolarHBondContact N-O 2.96Å; T238-K251 PolarHBondContact O-N 2.88Å; T238-K251 WeakPolarHBondContact OG1-CB 3.48Å; K251-I253 HydrophobicContact CG-CG1 4.44Å; K251-D297 WeakPolarHBondContact CE-OD1 3.29Å; K251-D297 IonicContact NZ-OD1 2.61Å; K251-D297 PolarHBondContact NZ-OD1 3.43Å; K251-E298 CarbonylContact C-O 3.55Å; K251-E298 WeakPolarHBondContact CA-O 3.19Å; K251-T299 HydrophobicContact CB-CG2 4.21Å; K251-T299 WeakPolarHBondContact CD-OG1 2.92Å; K251-T299 WeakPolarHBondContact CG-OG1 3.19Å |
| 252 | I | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 115.6 | 176.2 | -51.8 | -54.5 | 0 | 0 | 0 | 108.1 | L235 F237 V250 V271 M273 T285 F296 D297 E298 F300 F316 | L235-I252 HydrophobicContact CD1-CG2 4.13Å; F237-I252 HydrophobicContact CB-CD1 3.79Å; V250-I252 HydrophobicContact CG1-CD1 4.21Å; I252-V271 HydrophobicContact CG2-CG2 4.47Å; I252-M273 HydrophobicContact CD1-CE 3.6Å; I252-M273 HydrophobicContact CG1-CE 3.38Å; I252-T285 HydrophobicContact CB-CG2 4.3Å; I252-T285 HydrophobicContact CG1-CG2 4.26Å; I252-T285 HydrophobicContact CG2-CG2 4.47Å; I252-F296 HydrophobicContact CB-CB 4.37Å; I252-F296 HydrophobicContact CG2-CB 4.05Å; I252-F296 HydrophobicContact CG2-CD2 3.53Å; I252-F296 HydrophobicContact CG2-CE2 4.25Å; I252-F296 HydrophobicContact CG2-CG 4.01Å; I252-D297 CarbonylContact O-C 3.58Å; I252-D297 VanDerWaalsContact O-CA 3.28Å; I252-D297 WeakPolarHBondContact O-CA 3.13Å; I252-D297 PolarHBondContact O-N 3.21Å; I252-E298 PolarHBondContact N-O 3.14Å; I252-E298 PolarHBondContact O-N 3.47Å; I252-F300 HydrophobicContact CG1-CD2 4.48Å; I252-F300 HydrophobicContact CG1-CE2 4.22Å; I252-F316 HydrophobicContact CD1-CD1 4.05Å; I252-F316 HydrophobicContact CD1-CE1 3.56Å; I252-F316 HydrophobicContact CD1-CZ 4.07Å |
| 253 | I | 97.1 | Very high | 92.1 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -59.4 | -177.7 | -61.8 | 172.2 | 0 | 0 | 0 | 109.3 | N236 T238 K251 F296 D297 T349 | N236-I253 PolarHBondContact O-N 2.87Å; T238-I253 HydrophobicContact CG2-CD1 3.69Å; K251-I253 HydrophobicContact CG-CG1 4.44Å; I253-F296 PolarHBondContact O-N 2.83Å; I253-D297 PolarHBondContact O-N 2.8Å; I253-D297 VanDerWaalsContact O-N 3.09Å; I253-T349 HydrophobicContact CD1-CG2 4.22Å |
| 254 | K | 97.2 | Very high | 91.3 | Very high | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 163.5 | -175.2 | 59.8 | -176.2 | 174.8 | 175.7 | 0 | 113.1 | N236 P294 L295 W351 | N236-K254 WeakPolarHBondContact CA-O 3.46Å; N236-K254 HydrophobicContact CB-CG 3.92Å; N236-K254 WeakPolarHBondContact CB-O 3.24Å; N236-K254 PolarHBondContact N-O 2.87Å; N236-K254 PolarHBondContact O-N 2.94Å; K254-P294 CarbonylContact C-O 3.57Å; K254-P294 WeakPolarHBondContact CA-O 3.25Å; K254-P294 WeakPolarHBondContact CB-O 3.46Å; K254-L295 HydrophobicContact CB-CD2 3.61Å; K254-L295 HydrophobicContact CD-CD2 3.57Å; K254-L295 HydrophobicContact CG-CD2 4.26Å; K254-W351 HydrophobicContact CG-CH2 4.39Å |
| 255 | A | 97.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 156.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | K234 L235 L258 N293 P294 F296 | K234-A255 CarbonylContact O-C 3.05Å; K234-A255 WeakPolarHBondContact O-CA 3.48Å; K234-A255 WeakPolarHBondContact O-CB 3.37Å; L235-A255 HydrophobicContact CD1-CB 4.07Å; A255-L258 HydrophobicContact CB-CD1 4.04Å; A255-L258 HydrophobicContact CB-CD2 3.97Å; A255-L258 HydrophobicContact CB-CG 4.1Å; A255-N293 CarbonylContact O-C 3.49Å; A255-N293 VanDerWaalsContact O-CA 3.32Å; A255-N293 WeakPolarHBondContact O-CA 3.23Å; A255-P294 HydrophobicContact CB-CG 3.91Å; A255-P294 PolarHBondContact N-O 2.91Å; A255-F296 HydrophobicContact CB-CE2 4.24Å |
| 256 | L | 96.1 | Very high | 90.4 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 152.5 | 175.3 | -64.5 | -177.7 | 0 | 0 | 0 | 111.1 | G233 K234 L258 N293 W351 | G233-L256 CarbonylContact C-O 3.38Å; G233-L256 WeakPolarHBondContact CA-O 3.48Å; K234-L256 PolarHBondContact N-O 3.34Å; K234-L256 PolarHBondContact O-N 2.86Å; L256-L258 VanDerWaalsContact C-N 3.25Å; L256-L258 PolarHBondContact O-N 3.31Å; L256-N293 VanDerWaalsContact CA-OD1 3.23Å; L256-N293 WeakPolarHBondContact CA-OD1 3.34Å; L256-N293 HydrophobicContact CD2-CB 4.16Å; L256-N293 VanDerWaalsContact CD2-OD1 3.3Å; L256-N293 WeakPolarHBondContact CD2-OD1 3.22Å; L256-W351 HydrophobicContact CD1-CH2 3.45Å; L256-W351 VanDerWaalsContact CD1-CH2 3.45Å; L256-W351 HydrophobicContact CD1-CZ3 3.73Å; L256-W351 HydrophobicContact CG-CH2 3.92Å; L256-W351 HydrophobicContact CG-CZ3 3.98Å |
| 257 | D | 93.5 | Very high | 90.3 | Very high | 111 Ų | 111 | 44.8 Ų | 44.8 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 52.8 | 37.8 | 171 | -54.3 | -45.4 | 0 | 0 | 0 | 114.3 | G233 L292 N293 | G233-D257 WeakPolarHBondContact CA-O 3.24Å; G233-D257 PolarHBondContact N-O 3.35Å; D257-L292 PolarHBondContact N-O 2.93Å; D257-N293 PolarHBondContact N-OD1 2.88Å |
| 258 | L | 94.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -65 | 145.1 | 174.3 | -59.7 | -178.2 | 0 | 0 | 0 | 110.5 | A255 L256 P269 L292 P294 V318 I330 I354 | A255-L258 HydrophobicContact CB-CD1 4.04Å; A255-L258 HydrophobicContact CB-CD2 3.97Å; A255-L258 HydrophobicContact CB-CG 4.1Å; L256-L258 VanDerWaalsContact C-N 3.25Å; L256-L258 PolarHBondContact O-N 3.31Å; L258-P269 HydrophobicContact CD1-CB 3.58Å; L258-P269 HydrophobicContact CD1-CG 3.88Å; L258-L292 HydrophobicContact CB-CB 4.47Å; L258-L292 WeakPolarHBondContact CB-O 3.46Å; L258-L292 WeakPolarHBondContact CG-O 3.39Å; L258-L292 PolarHBondContact N-O 3.32Å; L258-L292 WeakPolarHBondContact O-CB 3.36Å; L258-L292 WeakPolarHBondContact O-CD2 3.31Å; L258-P294 HydrophobicContact CD1-CG 3.91Å; L258-V318 HydrophobicContact CD1-CG1 4.41Å; L258-V318 HydrophobicContact CD2-CG1 4.34Å; L258-I330 HydrophobicContact CD1-CD1 4.45Å; L258-I330 HydrophobicContact CD2-CG2 4.25Å; L258-I354 HydrophobicContact CD2-CD1 3.39Å |
| 259 | P | 90.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 25% | 0.253 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -67 | 141.9 | 172.8 | 29.8 | -36.7 | 0 | 0 | 0 | 111 | C232 S267 I330 | C232-P259 HydrophobicContact CB-CG 4.11Å; C232-P259 WeakPolarHBondContact O-CD 3.27Å; P259-S267 PolarHBondContact O-OG 3.37Å; P259-I330 HydrophobicContact CG-CG2 3.72Å |
| 260 | A | 88.6 | Confident | 90.5 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -67 | 129.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G265 T266 S267 L292 | A260-G265 VanDerWaalsContact CB-C 3.48Å; A260-G265 WeakPolarHBondContact CB-O 3.49Å; A260-T266 WeakPolarHBondContact CA-O 3.23Å; A260-S267 WeakPolarHBondContact CA-OG 3.22Å; A260-L292 HydrophobicContact CB-CD1 4.36Å; A260-L292 HydrophobicContact CB-CD2 4.23Å |
| 261 | K | 84.6 | Confident | 90.6 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 37% | 0.365 | 24% | 0.237 | S | C | . | . | trans | -120.2 | -31.5 | -178.6 | -77.5 | -66.6 | -156 | 143.6 | 0 | 111.7 | T266 S267 D320 D328 M329 I330 | K261-T266 PolarHBondContact N-O 3.05Å; K261-S267 PolarHBondContact N-OG 3.16Å; K261-D320 HydrophobicContact CB-CB 4.09Å; K261-D320 WeakPolarHBondContact CB-OD2 3.49Å; K261-D320 HydrophobicContact CG-CB 4.45Å; K261-D328 WeakPolarHBondContact CD-OD2 3.29Å; K261-D328 IonicContact NZ-OD2 3.7Å; K261-D328 PolarHBondContact NZ-OD2 2.98Å; K261-M329 PolarHBondContact NZ-O 2.9Å; K261-I330 HydrophobicContact CG-CG1 4.14Å | ||
| 262 | D | 77.6 | Confident | 90.4 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -63.8 | 147.3 | 168.7 | -69.7 | -56.7 | 0 | 0 | 0 | 112.3 | T264 G265 T266 S267 | D262-T264 WeakPolarHBondContact CB-OG1 3.28Å; D262-T264 PolarHBondContact O-N 3.26Å; D262-G265 PolarHBondContact O-N 3.36Å; D262-T266 VanDerWaalsContact CB-O 3.27Å; D262-T266 WeakPolarHBondContact CB-O 3.41Å; D262-T266 PolarHBondContact N-O 3.3Å; D262-T266 PolarHBondContact OD2-OG1 3.21Å; D262-S267 WeakPolarHBondContact OD2-CA 3.17Å; D262-S267 PolarHBondContact OD2-N 2.7Å |
| 263 | F | 71.3 | Confident | 90.3 | Very high | 193 Ų | 193 | 42.5 Ų | 42.5 | 85% | 0.846 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -15.4 | 161.9 | -62.6 | -77.2 | 0 | 0 | 0 | 114.2 | G265 T506 | F263-G265 VanDerWaalsContact C-N 3.31Å; F263-T506 HydrophobicContact CZ-CG2 4.12Å |
| 264 | T | 74.6 | Confident | 90 | Very high | 91 Ų | 91 | 42.6 Ų | 42.6 | 56% | 0.558 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.4 | 178.6 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | D262 T266 | D262-T264 WeakPolarHBondContact CB-OG1 3.28Å; D262-T264 PolarHBondContact O-N 3.26Å; T264-T266 VanDerWaalsContact C-N 3.34Å; T264-T266 PolarHBondContact OG1-OG1 2.81Å |
| 265 | G | 80 | Confident | 89.6 | Confident | 47 Ų | 47 | 40 Ų | 40 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 80.2 | 14.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A260 D262 F263 | A260-G265 VanDerWaalsContact CB-C 3.48Å; A260-G265 WeakPolarHBondContact CB-O 3.49Å; D262-G265 PolarHBondContact O-N 3.36Å; F263-G265 VanDerWaalsContact C-N 3.31Å |
| 266 | T | 88.8 | Confident | 89 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | trans | -125.2 | -166.9 | 172.9 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | A260 K261 D262 T264 K290 | A260-T266 WeakPolarHBondContact CA-O 3.23Å; K261-T266 PolarHBondContact N-O 3.05Å; D262-T266 VanDerWaalsContact CB-O 3.27Å; D262-T266 WeakPolarHBondContact CB-O 3.41Å; D262-T266 PolarHBondContact N-O 3.3Å; D262-T266 PolarHBondContact OD2-OG1 3.21Å; T264-T266 VanDerWaalsContact C-N 3.34Å; T264-T266 PolarHBondContact OG1-OG1 2.81Å; T266-K290 HydrophobicContact CG2-CB 4.24Å; T266-K290 WeakPolarHBondContact OG1-CA 3.45Å | ||
| 267 | S | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -143.9 | 159.4 | 165.5 | -51.6 | 0 | 0 | 0 | 0 | 107.3 | P259 A260 K261 D262 P269 K290 T291 | P259-S267 PolarHBondContact O-OG 3.37Å; A260-S267 WeakPolarHBondContact CA-OG 3.22Å; K261-S267 PolarHBondContact N-OG 3.16Å; D262-S267 WeakPolarHBondContact OD2-CA 3.17Å; D262-S267 PolarHBondContact OD2-N 2.7Å; S267-P269 WeakPolarHBondContact O-CD 3.47Å; S267-K290 CarbonylContact O-C 3.13Å; S267-K290 VanDerWaalsContact O-CA 3.26Å; S267-K290 WeakPolarHBondContact O-CA 3.33Å; S267-K290 PolarHBondContact O-N 2.55Å; S267-K290 VanDerWaalsContact O-N 3.13Å; S267-T291 PolarHBondContact O-N 3.13Å | ||
| 268 | D | 93.8 | Very high | 87.3 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -101.9 | 65.8 | 167.6 | -83.4 | 8 | 0 | 0 | 0 | 110.1 | V287 H288 R289 K290 D320 F321 | D268-V287 HydrophobicContact CB-CG1 3.96Å; D268-H288 CarbonylContact C-O 3.49Å; D268-H288 VanDerWaalsContact C-O 3.24Å; D268-H288 WeakPolarHBondContact CA-O 3.3Å; D268-R289 WeakPolarHBondContact OD1-CA 3.32Å; D268-R289 WeakPolarHBondContact OD1-CB 3.04Å; D268-R289 WeakPolarHBondContact OD2-CD 3.42Å; D268-R289 WeakPolarHBondContact OD2-CG 3.3Å; D268-R289 IonicContact OD2-NE 2.74Å; D268-R289 PolarHBondContact OD2-NE 2.66Å; D268-K290 PolarHBondContact OD1-N 2.81Å; D268-D320 WeakPolarHBondContact CA-OD1 3.49Å; D268-D320 PolarHBondContact N-OD1 2.83Å; D268-F321 HydrophobicContact CB-CB 3.98Å; D268-F321 VanDerWaalsContact O-CB 3.27Å; D268-F321 WeakPolarHBondContact O-CB 3.04Å; D268-F321 PolarHBondContact O-N 3.38Å | ||
| 269 | P | 96.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 148.2 | -167.6 | 28.2 | -39.8 | 0 | 0 | 0 | 116.1 | L258 S267 H288 T291 P294 Y319 I330 | L258-P269 HydrophobicContact CD1-CB 3.58Å; L258-P269 HydrophobicContact CD1-CG 3.88Å; S267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-H288 WeakPolarHBondContact CD-O 3.08Å; P269-H288 PolarHBondContact O-N 3.13Å; P269-T291 WeakPolarHBondContact CD-O 3.32Å; P269-T291 HydrophobicContact CG-CG2 4.07Å; P269-T291 VanDerWaalsContact CG-O 3.26Å; P269-T291 WeakPolarHBondContact CG-O 3.49Å; P269-P294 HydrophobicContact CB-CG 4.16Å; P269-P294 HydrophobicContact CG-CB 3.87Å; P269-P294 HydrophobicContact CG-CG 3.61Å; P269-Y319 CarbonylContact C-O 3.5Å; P269-Y319 VanDerWaalsContact CA-O 3.28Å; P269-Y319 WeakPolarHBondContact CA-O 3.28Å; P269-I330 HydrophobicContact CB-CD1 4.43Å |
| 270 | Y | 97.1 | Very high | 85 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 158.4 | 166.8 | 72.6 | -78.2 | 0 | 0 | 0 | 111.6 | K272 Q284 R286 V287 Y319 F321 H327 | Y270-K272 HydrophobicContact CD2-CG 4.48Å; Y270-K272 HydrophobicContact CE2-CD 4.16Å; Y270-K272 HydrophobicContact CE2-CG 3.95Å; Y270-K272 PolarHBondContact OH-NZ 3.39Å; Y270-Q284 HydrophobicContact CD2-CG 3.55Å; Y270-Q284 HydrophobicContact CE2-CG 3.91Å; Y270-R286 WeakPolarHBondContact CB-O 3.08Å; Y270-V287 HydrophobicContact CD1-CG2 4.11Å; Y270-V287 HydrophobicContact CG-CG2 4.14Å; Y270-Y319 HydrophobicContact CE1-CG 4.3Å; Y270-Y319 HydrophobicContact CE2-CD2 4.22Å; Y270-Y319 HydrophobicContact CE2-CG 4.42Å; Y270-Y319 AromaticContact CZ-CG 3.84Å; Y270-Y319 PolarHBondContact N-O 3.32Å; Y270-Y319 PolarHBondContact O-N 3.26Å; Y270-Y319 VanDerWaalsContact OH-CB 3.3Å; Y270-Y319 WeakPolarHBondContact OH-CB 3.39Å; Y270-F321 HydrophobicContact CD1-CB 3.86Å; Y270-F321 HydrophobicContact CE1-CB 4.01Å; Y270-H327 HydrophobicContact CE1-CB 4.34Å; Y270-H327 AromaticContact CE1-ND1 3.55Å; Y270-H327 AromaticContact CZ-ND1 3.42Å; Y270-H327 PolarHBondContact OH-ND1 2.85Å |
| 271 | V | 96.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.2 | -178.3 | -172 | 0 | 0 | 0 | 0 | 110.2 | L235 I252 Q284 T285 F296 F316 V318 | L235-V271 HydrophobicContact CD1-CG2 4.18Å; I252-V271 HydrophobicContact CG2-CG2 4.47Å; V271-Q284 VanDerWaalsContact O-CA 3.31Å; V271-Q284 WeakPolarHBondContact O-CA 3.48Å; V271-T285 HydrophobicContact CB-CG2 3.98Å; V271-T285 PolarHBondContact N-OG1 3.47Å; V271-T285 PolarHBondContact O-N 2.93Å; V271-F296 HydrophobicContact CG2-CE1 4.45Å; V271-F296 HydrophobicContact CG2-CE2 3.81Å; V271-F296 HydrophobicContact CG2-CZ 3.77Å; V271-F316 HydrophobicContact CG1-CB 4.13Å; V271-F316 HydrophobicContact CG1-CD1 4.27Å; V271-V318 HydrophobicContact CG2-CG2 4.29Å |
| 272 | K | 94.3 | Very high | 84.5 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 15% | 0.148 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 147.4 | 164.2 | -76 | 172.5 | 177.3 | 130.1 | 0 | 109.6 | Y270 Y274 F283 Q284 F316 S317 Y319 | Y270-K272 HydrophobicContact CD2-CG 4.48Å; Y270-K272 HydrophobicContact CE2-CD 4.16Å; Y270-K272 HydrophobicContact CE2-CG 3.95Å; Y270-K272 PolarHBondContact OH-NZ 3.39Å; K272-Y274 HydrophobicContact CB-CE2 4.21Å; K272-F283 WeakPolarHBondContact CA-O 3.47Å; K272-Q284 VanDerWaalsContact CE-OE1 3.28Å; K272-Q284 HydrophobicContact CG-CB 4.37Å; K272-Q284 HydrophobicContact CG-CG 3.83Å; K272-F316 WeakPolarHBondContact O-CA 3.21Å; K272-S317 PolarHBondContact N-O 2.86Å; K272-S317 PolarHBondContact O-N 2.98Å; K272-Y319 HydrophobicContact CB-CE2 4.38Å; K272-Y319 HydrophobicContact CD-CD2 4.05Å; K272-Y319 HydrophobicContact CD-CE2 3.74Å; K272-Y319 HydrophobicContact CG-CD2 4.42Å; K272-Y319 HydrophobicContact CG-CE2 4.41Å |
| 273 | M | 93.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143 | 178.9 | 59.8 | 173.7 | 74 | 0 | 0 | 113.6 | V250 I252 K282 F283 F300 F302 H315 F316 | V250-M273 HydrophobicContact CB-SD 4.46Å; V250-M273 HydrophobicContact CG1-CE 4.23Å; V250-M273 HydrophobicContact CG1-SD 4.23Å; I252-M273 HydrophobicContact CD1-CE 3.6Å; I252-M273 HydrophobicContact CG1-CE 3.38Å; M273-K282 WeakPolarHBondContact O-CA 3.5Å; M273-F283 HydrophobicContact CG-CB 3.64Å; M273-F283 HydrophobicContact CG-CD2 4.48Å; M273-F283 PolarHBondContact N-O 2.85Å; M273-F283 PolarHBondContact O-N 2.9Å; M273-F283 VanDerWaalsContact O-N 3.14Å; M273-F283 HydrophobicContact SD-CB 3.96Å; M273-F283 HydrophobicContact SD-CD2 4.42Å; M273-F300 HydrophobicContact CE-CB 4.41Å; M273-F300 HydrophobicContact CE-CD2 3.26Å; M273-F300 HydrophobicContact CE-CE2 3.66Å; M273-F300 HydrophobicContact CE-CG 3.95Å; M273-F300 HydrophobicContact SD-CB 3.78Å; M273-F300 HydrophobicContact SD-CD2 3.77Å; M273-F300 HydrophobicContact SD-CG 3.84Å; M273-F302 HydrophobicContact CB-CZ 4.24Å; M273-F302 HydrophobicContact CG-CE2 4.22Å; M273-F302 HydrophobicContact CG-CZ 3.81Å; M273-F302 HydrophobicContact SD-CE2 3.65Å; M273-F302 HydrophobicContact SD-CZ 3.87Å; M273-H315 CarbonylContact C-O 3.58Å; M273-H315 VanDerWaalsContact CA-O 3.27Å; M273-H315 WeakPolarHBondContact CA-O 3.4Å; M273-F316 HydrophobicContact CB-CD1 3.76Å; M273-F316 HydrophobicContact CB-CE1 4.01Å; M273-F316 HydrophobicContact CE-CD1 4.44Å; M273-F316 HydrophobicContact CE-CE1 4.07Å |
| 274 | Y | 91.1 | Very high | 86.3 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.3 | -178.3 | -50.5 | -89.3 | 0 | 0 | 0 | 110.7 | K272 K282 H315 | K272-Y274 HydrophobicContact CB-CE2 4.21Å; Y274-K282 HydrophobicContact CD1-CB 3.67Å; Y274-K282 HydrophobicContact CE1-CB 3.42Å; Y274-K282 VanDerWaalsContact CE1-CB 3.42Å; Y274-K282 HydrophobicContact CE1-CD 4.07Å; Y274-K282 HydrophobicContact CE1-CG 4.37Å; Y274-H315 AromaticContact CD2-ND1 3.78Å; Y274-H315 PolarHBondContact N-O 3.45Å; Y274-H315 PolarHBondContact O-N 2.72Å |
| 275 | L | 90.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 83.2 | 171.8 | -172.2 | 67.2 | 0 | 0 | 0 | 109.8 | L248 D278 F302 V304 R312 K313 L314 L338 | L248-L275 HydrophobicContact CD2-CD1 4.04Å; L275-D278 PolarHBondContact O-N 3.46Å; L275-F302 HydrophobicContact CB-CD1 3.6Å; L275-F302 HydrophobicContact CB-CE1 3.8Å; L275-F302 HydrophobicContact CB-CG 4.09Å; L275-F302 HydrophobicContact CB-CZ 4.42Å; L275-F302 HydrophobicContact CD2-CB 3.87Å; L275-F302 HydrophobicContact CD2-CD1 4.39Å; L275-F302 HydrophobicContact CD2-CG 4.26Å; L275-V304 HydrophobicContact CD2-CB 3.91Å; L275-V304 HydrophobicContact CD2-CG1 3.78Å; L275-V304 HydrophobicContact CD2-CG2 4.16Å; L275-R312 HydrophobicContact CD1-CB 3.8Å; L275-R312 HydrophobicContact CD1-CG 4.45Å; L275-R312 HydrophobicContact CD2-CG 4.45Å; L275-R312 HydrophobicContact CG-CB 4.12Å; L275-R312 HydrophobicContact CG-CG 4.29Å; L275-K313 CarbonylContact C-O 3.57Å; L275-L314 HydrophobicContact CD1-CB 4.49Å; L275-L314 HydrophobicContact CD1-CD1 4.42Å; L275-L338 HydrophobicContact CD1-CD1 4.47Å |
| 276 | L | 84.8 | Confident | 88.2 | Confident | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 143.9 | -175.3 | -60.2 | 178.7 | 0 | 0 | 0 | 111.1 | R279 R312 K313 H315 | L276-R279 HydrophobicContact CD2-CG 3.56Å; L276-R312 WeakPolarHBondContact O-CA 3.48Å; L276-R312 VanDerWaalsContact O-CD 3.22Å; L276-R312 WeakPolarHBondContact O-CD 3.21Å; L276-K313 HydrophobicContact CB-CB 4.2Å; L276-K313 PolarHBondContact N-O 3.14Å; L276-K313 PolarHBondContact O-N 3.34Å; L276-K313 VanDerWaalsContact O-N 3.14Å; L276-H315 HydrophobicContact CD1-CB 3.87Å; L276-H315 HydrophobicContact CG-CB 4.14Å |
| 277 | P | 78.6 | Confident | 88.5 | Confident | 105 Ų | 105 | 60.6 Ų | 60.6 | 68% | 0.682 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -80.5 | 0.8 | 8 | 32.4 | -37.2 | 0 | 0 | 0 | 115.8 | R279 | P277-R279 PolarHBondContact O-N 3.49Å; P277-R279 VanDerWaalsContact O-N 3.09Å |
| 278 | D | 74.4 | Confident | 88.7 | Confident | 49 Ų | 49 | 63 Ų | 63 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 102.4 | 177.6 | -172 | 0.3 | 0 | 0 | 0 | 110.9 | L275 K280 K281 | L275-D278 PolarHBondContact O-N 3.46Å; D278-K280 WeakPolarHBondContact OD1-CA 3.37Å; D278-K280 WeakPolarHBondContact OD1-CB 3.3Å; D278-K280 PolarHBondContact OD1-N 2.94Å; D278-K281 PolarHBondContact OD1-N 2.73Å |
| 279 | R | 72.7 | Confident | 88.7 | Confident | 175 Ų | 175 | 70.5 Ų | 70.5 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -3.8 | 172.9 | -68.9 | -175.4 | 172.4 | -169.4 | -2.9 | 113.6 | L276 P277 | L276-R279 HydrophobicContact CD2-CG 3.56Å; P277-R279 PolarHBondContact O-N 3.49Å; P277-R279 VanDerWaalsContact O-N 3.09Å |
| 280 | K | 63.9 | Low | 88.5 | Confident | 193 Ų | 193 | 77.2 Ų | 77.2 | 84% | 0.839 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -43.8 | -179.1 | -62.6 | -178 | 179.8 | 178.8 | 0 | 111.3 | D278 K282 | D278-K280 WeakPolarHBondContact OD1-CA 3.37Å; D278-K280 WeakPolarHBondContact OD1-CB 3.3Å; D278-K280 PolarHBondContact OD1-N 2.94Å; K280-K282 PolarHBondContact O-N 3.25Å |
| 281 | K | 76.4 | Confident | 88.3 | Confident | 101 Ų | 101 | 79 Ų | 79 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 113 | 172.1 | -68.5 | -177.8 | -177.1 | 177.8 | 0 | 109.4 | D278 | D278-K281 PolarHBondContact OD1-N 2.73Å |
| 282 | K | 86.1 | Confident | 88.2 | Confident | 135 Ų | 135 | 81.2 Ų | 81.2 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139 | 175.9 | 68.9 | -172.7 | 179.3 | -175 | 0 | 109.7 | M273 Y274 K280 | M273-K282 WeakPolarHBondContact O-CA 3.5Å; Y274-K282 HydrophobicContact CD1-CB 3.67Å; Y274-K282 HydrophobicContact CE1-CB 3.42Å; Y274-K282 VanDerWaalsContact CE1-CB 3.42Å; Y274-K282 HydrophobicContact CE1-CD 4.07Å; Y274-K282 HydrophobicContact CE1-CG 4.37Å; K280-K282 PolarHBondContact O-N 3.25Å |
| 283 | F | 92.9 | Very high | 88.3 | Confident | 68 Ų | 68 | 83 Ų | 83 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 160.7 | 166.6 | -60.2 | -79.6 | 0 | 0 | 0 | 110.2 | K272 M273 F300 Q301 F302 | K272-F283 WeakPolarHBondContact CA-O 3.47Å; M273-F283 HydrophobicContact CG-CB 3.64Å; M273-F283 HydrophobicContact CG-CD2 4.48Å; M273-F283 PolarHBondContact N-O 2.85Å; M273-F283 PolarHBondContact O-N 2.9Å; M273-F283 VanDerWaalsContact O-N 3.14Å; M273-F283 HydrophobicContact SD-CB 3.96Å; M273-F283 HydrophobicContact SD-CD2 4.42Å; F283-F300 HydrophobicContact CB-CB 4.23Å; F283-F300 HydrophobicContact CB-CD1 3.5Å; F283-F300 VanDerWaalsContact CB-CD1 3.5Å; F283-F300 HydrophobicContact CB-CE1 4.04Å; F283-F300 HydrophobicContact CB-CG 3.93Å; F283-F300 AromaticContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD2-CB 4.14Å; F283-F300 HydrophobicContact CG-CB 4.06Å; F283-F300 AromaticContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CG 4.22Å; F283-Q301 VanDerWaalsContact CE2-O 3.27Å; F283-Q301 WeakPolarHBondContact CE2-O 3.4Å; F283-Q301 WeakPolarHBondContact CZ-O 3.28Å; F283-F302 HydrophobicContact CD2-CD1 4.14Å; F283-F302 HydrophobicContact CD2-CD2 4.44Å; F283-F302 AromaticContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE2 4.01Å; F283-F302 AromaticContact CD2-CZ 3.61Å; F283-F302 HydrophobicContact CD2-CZ 3.61Å; F283-F302 AromaticContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD2 4.33Å; F283-F302 AromaticContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE2 4.34Å; F283-F302 HydrophobicContact CE2-CG 4.08Å; F283-F302 HydrophobicContact CE2-CZ 4.1Å |
| 284 | Q | 94.4 | Very high | 88.4 | Confident | 93 Ų | 93 | 83 Ų | 83 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 136.4 | -178.1 | -164.6 | -170.5 | -75.9 | 0 | 0 | 109.4 | Y270 V271 K272 | Y270-Q284 HydrophobicContact CD2-CG 3.55Å; Y270-Q284 HydrophobicContact CE2-CG 3.91Å; V271-Q284 VanDerWaalsContact O-CA 3.31Å; V271-Q284 WeakPolarHBondContact O-CA 3.48Å; K272-Q284 VanDerWaalsContact CE-OE1 3.28Å; K272-Q284 HydrophobicContact CG-CB 4.37Å; K272-Q284 HydrophobicContact CG-CG 3.83Å |
| 285 | T | 97.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 86.7 Ų | 86.7 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 169.2 | 169.4 | 68 | 0 | 0 | 0 | 0 | 111.3 | I252 V271 F296 E298 F300 | I252-T285 HydrophobicContact CB-CG2 4.3Å; I252-T285 HydrophobicContact CG1-CG2 4.26Å; I252-T285 HydrophobicContact CG2-CG2 4.47Å; V271-T285 HydrophobicContact CB-CG2 3.98Å; V271-T285 PolarHBondContact N-OG1 3.47Å; V271-T285 PolarHBondContact O-N 2.93Å; T285-F296 HydrophobicContact CG2-CB 4.43Å; T285-F296 HydrophobicContact CG2-CD1 4.01Å; T285-F296 HydrophobicContact CG2-CG 4.23Å; T285-F296 WeakPolarHBondContact OG1-CE1 3.47Å; T285-E298 VanDerWaalsContact CA-OE1 3.29Å; T285-E298 WeakPolarHBondContact CA-OE1 3.24Å; T285-E298 VanDerWaalsContact CB-OE1 3.23Å; T285-E298 WeakPolarHBondContact CB-OE1 3.48Å; T285-F300 HydrophobicContact CG2-CE2 4.02Å; T285-F300 HydrophobicContact CG2-CZ 4.05Å |
| 286 | R | 96.6 | Very high | 89 | Confident | 179 Ų | 179 | 86.9 Ų | 86.9 | 68% | 0.675 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 158.1 | 161.3 | -64.7 | 166.5 | -165.9 | -151.5 | -0.8 | 110.3 | Y270 E298 | Y270-R286 WeakPolarHBondContact CB-O 3.08Å; R286-E298 WeakPolarHBondContact CG-OE2 3.33Å; R286-E298 PolarHBondContact N-OE1 2.82Å; R286-E298 IonicContact NE-OE2 3.53Å; R286-E298 PolarHBondContact NE-OE2 3.28Å |
| 287 | V | 96.2 | Very high | 89.5 | Confident | 44 Ų | 44 | 90.6 Ų | 90.6 | 27% | 0.267 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -87.9 | 121.3 | 173.2 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | D268 Y270 F321 | D268-V287 HydrophobicContact CB-CG1 3.96Å; Y270-V287 HydrophobicContact CD1-CG2 4.11Å; Y270-V287 HydrophobicContact CG-CG2 4.14Å; V287-F321 HydrophobicContact CB-CB 4.33Å; V287-F321 HydrophobicContact CB-CG 4.43Å; V287-F321 HydrophobicContact CG1-CB 3.47Å; V287-F321 VanDerWaalsContact CG1-CB 3.47Å; V287-F321 HydrophobicContact CG1-CD1 4.07Å; V287-F321 HydrophobicContact CG1-CG 3.76Å; V287-F321 HydrophobicContact CG2-CB 3.84Å; V287-F321 HydrophobicContact CG2-CD2 3.77Å; V287-F321 HydrophobicContact CG2-CG 3.83Å |
| 288 | H | 94.9 | Very high | 90.4 | Very high | 50 Ų | 50 | 87.2 Ų | 87.2 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 120.1 | 175 | -72.7 | -102.1 | 0 | 0 | 0 | 108.8 | D268 P269 T291 P294 L295 F296 | D268-H288 CarbonylContact C-O 3.49Å; D268-H288 VanDerWaalsContact C-O 3.24Å; D268-H288 WeakPolarHBondContact CA-O 3.3Å; P269-H288 WeakPolarHBondContact CD-O 3.08Å; P269-H288 PolarHBondContact O-N 3.13Å; H288-T291 HydrophobicContact CB-CG2 3.78Å; H288-P294 HydrophobicContact CB-CB 3.86Å; H288-L295 PolarHBondContact CE1-O 3.25Å; H288-L295 PolarHBondContact ND1-O 2.96Å; H288-F296 AromaticContact CD2-CD1 3.4Å; H288-F296 WeakPolarHBondContact CD2-CD1 3.46Å; H288-F296 AromaticContact CD2-CE1 3.58Å; H288-F296 AromaticContact NE2-CD1 3.61Å |
| 289 | R | 93.2 | Very high | 91.5 | Very high | 175 Ų | 175 | 88.6 Ų | 88.6 | 66% | 0.66 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 143.6 | -172.3 | -65.2 | -155.4 | 161.3 | 98.4 | 5.1 | 114 | D268 T291 | D268-R289 WeakPolarHBondContact OD1-CA 3.32Å; D268-R289 WeakPolarHBondContact OD1-CB 3.04Å; D268-R289 WeakPolarHBondContact OD2-CD 3.42Å; D268-R289 WeakPolarHBondContact OD2-CG 3.3Å; D268-R289 IonicContact OD2-NE 2.74Å; D268-R289 PolarHBondContact OD2-NE 2.66Å; R289-T291 VanDerWaalsContact C-N 3.33Å; R289-T291 PolarHBondContact O-N 2.82Å |
| 290 | K | 91.9 | Very high | 92.6 | Very high | 142 Ų | 142 | 81.4 Ų | 81.4 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 48.4 | 49 | 170.1 | -58.7 | -172.6 | 176.4 | -171.8 | 0 | 113.7 | T266 S267 D268 | T266-K290 HydrophobicContact CG2-CB 4.24Å; T266-K290 WeakPolarHBondContact OG1-CA 3.45Å; S267-K290 CarbonylContact O-C 3.13Å; S267-K290 VanDerWaalsContact O-CA 3.26Å; S267-K290 WeakPolarHBondContact O-CA 3.33Å; S267-K290 PolarHBondContact O-N 2.55Å; S267-K290 VanDerWaalsContact O-N 3.13Å; D268-K290 PolarHBondContact OD1-N 2.81Å |
| 291 | T | 94.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 77 Ų | 77 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | trans | -141.6 | 137.2 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | S267 P269 H288 R289 N293 P294 | S267-T291 PolarHBondContact O-N 3.13Å; P269-T291 WeakPolarHBondContact CD-O 3.32Å; P269-T291 HydrophobicContact CG-CG2 4.07Å; P269-T291 VanDerWaalsContact CG-O 3.26Å; P269-T291 WeakPolarHBondContact CG-O 3.49Å; H288-T291 HydrophobicContact CB-CG2 3.78Å; R289-T291 VanDerWaalsContact C-N 3.33Å; R289-T291 PolarHBondContact O-N 2.82Å; T291-N293 PolarHBondContact OG1-N 2.8Å; T291-N293 VanDerWaalsContact OG1-N 3.07Å; T291-N293 PolarHBondContact OG1-O 3.31Å; T291-P294 HydrophobicContact CG2-CB 3.94Å | ||
| 292 | L | 94.4 | Very high | 95 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -94.9 | -3.1 | 170.9 | -55.2 | -175.8 | 0 | 0 | 0 | 112.1 | D257 L258 A260 | D257-L292 PolarHBondContact N-O 2.93Å; L258-L292 HydrophobicContact CB-CB 4.47Å; L258-L292 WeakPolarHBondContact CB-O 3.46Å; L258-L292 WeakPolarHBondContact CG-O 3.39Å; L258-L292 PolarHBondContact N-O 3.32Å; L258-L292 WeakPolarHBondContact O-CB 3.36Å; L258-L292 WeakPolarHBondContact O-CD2 3.31Å; A260-L292 HydrophobicContact CB-CD1 4.36Å; A260-L292 HydrophobicContact CB-CD2 4.23Å |
| 293 | N | 95.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 69.4 Ų | 69.4 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -135.1 | 62.9 | -176.7 | -64.6 | -78.6 | 0 | 0 | 0 | 110.3 | A255 L256 D257 T291 | A255-N293 CarbonylContact O-C 3.49Å; A255-N293 VanDerWaalsContact O-CA 3.32Å; A255-N293 WeakPolarHBondContact O-CA 3.23Å; L256-N293 VanDerWaalsContact CA-OD1 3.23Å; L256-N293 WeakPolarHBondContact CA-OD1 3.34Å; L256-N293 HydrophobicContact CD2-CB 4.16Å; L256-N293 VanDerWaalsContact CD2-OD1 3.3Å; L256-N293 WeakPolarHBondContact CD2-OD1 3.22Å; D257-N293 PolarHBondContact N-OD1 2.88Å; T291-N293 PolarHBondContact OG1-N 2.8Å; T291-N293 VanDerWaalsContact OG1-N 3.07Å; T291-N293 PolarHBondContact OG1-O 3.31Å |
| 294 | P | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | trans | -68.1 | 135.7 | -177 | 29.3 | -36.9 | 0 | 0 | 0 | 112.2 | K254 A255 L258 P269 H288 T291 F296 | K254-P294 CarbonylContact C-O 3.57Å; K254-P294 WeakPolarHBondContact CA-O 3.25Å; K254-P294 WeakPolarHBondContact CB-O 3.46Å; A255-P294 HydrophobicContact CB-CG 3.91Å; A255-P294 PolarHBondContact N-O 2.91Å; L258-P294 HydrophobicContact CD1-CG 3.91Å; P269-P294 HydrophobicContact CB-CG 4.16Å; P269-P294 HydrophobicContact CG-CB 3.87Å; P269-P294 HydrophobicContact CG-CG 3.61Å; H288-P294 HydrophobicContact CB-CB 3.86Å; T291-P294 HydrophobicContact CG2-CB 3.94Å; P294-F296 HydrophobicContact CB-CD2 4.4Å; P294-F296 HydrophobicContact CB-CE1 3.98Å; P294-F296 HydrophobicContact CB-CE2 3.86Å; P294-F296 HydrophobicContact CB-CZ 3.61Å; P294-F296 HydrophobicContact CG-CD2 4.38Å; P294-F296 HydrophobicContact CG-CE1 4.27Å; P294-F296 HydrophobicContact CG-CE2 3.49Å; P294-F296 VanDerWaalsContact CG-CE2 3.49Å; P294-F296 HydrophobicContact CG-CZ 3.42Å; P294-F296 VanDerWaalsContact CG-CZ 3.42Å | ||
| 295 | L | 96.9 | Very high | 95.2 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 105.4 | 166.5 | -59.5 | -179.7 | 0 | 0 | 0 | 107.9 | K254 H288 | K254-L295 HydrophobicContact CB-CD2 3.61Å; K254-L295 HydrophobicContact CD-CD2 3.57Å; K254-L295 HydrophobicContact CG-CD2 4.26Å; H288-L295 PolarHBondContact CE1-O 3.25Å; H288-L295 PolarHBondContact ND1-O 2.96Å |
| 296 | F | 96.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -54.8 | -177.8 | -60.9 | -74.6 | 0 | 0 | 0 | 111.1 | I252 I253 A255 V271 T285 H288 P294 E298 | I252-F296 HydrophobicContact CB-CB 4.37Å; I252-F296 HydrophobicContact CG2-CB 4.05Å; I252-F296 HydrophobicContact CG2-CD2 3.53Å; I252-F296 HydrophobicContact CG2-CE2 4.25Å; I252-F296 HydrophobicContact CG2-CG 4.01Å; I253-F296 PolarHBondContact O-N 2.83Å; A255-F296 HydrophobicContact CB-CE2 4.24Å; V271-F296 HydrophobicContact CG2-CE1 4.45Å; V271-F296 HydrophobicContact CG2-CE2 3.81Å; V271-F296 HydrophobicContact CG2-CZ 3.77Å; T285-F296 HydrophobicContact CG2-CB 4.43Å; T285-F296 HydrophobicContact CG2-CD1 4.01Å; T285-F296 HydrophobicContact CG2-CG 4.23Å; T285-F296 WeakPolarHBondContact OG1-CE1 3.47Å; H288-F296 AromaticContact CD2-CD1 3.4Å; H288-F296 WeakPolarHBondContact CD2-CD1 3.46Å; H288-F296 AromaticContact CD2-CE1 3.58Å; H288-F296 AromaticContact NE2-CD1 3.61Å; P294-F296 HydrophobicContact CB-CD2 4.4Å; P294-F296 HydrophobicContact CB-CE1 3.98Å; P294-F296 HydrophobicContact CB-CE2 3.86Å; P294-F296 HydrophobicContact CB-CZ 3.61Å; P294-F296 HydrophobicContact CG-CD2 4.38Å; P294-F296 HydrophobicContact CG-CE1 4.27Å; P294-F296 HydrophobicContact CG-CE2 3.49Å; P294-F296 VanDerWaalsContact CG-CE2 3.49Å; P294-F296 HydrophobicContact CG-CZ 3.42Å; P294-F296 VanDerWaalsContact CG-CZ 3.42Å; F296-E298 VanDerWaalsContact C-N 3.27Å; F296-E298 PolarHBondContact O-N 2.9Å |
| 297 | D | 96.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 65.2 Ų | 65.2 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 39.3 | -174.7 | -154.6 | 36.2 | 0 | 0 | 0 | 114.2 | K251 I252 I253 | K251-D297 WeakPolarHBondContact CE-OD1 3.29Å; K251-D297 IonicContact NZ-OD1 2.61Å; K251-D297 PolarHBondContact NZ-OD1 3.43Å; I252-D297 CarbonylContact O-C 3.58Å; I252-D297 VanDerWaalsContact O-CA 3.28Å; I252-D297 WeakPolarHBondContact O-CA 3.13Å; I252-D297 PolarHBondContact O-N 3.21Å; I253-D297 PolarHBondContact O-N 2.8Å; I253-D297 VanDerWaalsContact O-N 3.09Å |
| 298 | E | 97.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 16% | 0.159 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134 | -176.6 | -71.3 | -175 | -89.2 | 0 | 0 | 112.6 | K251 I252 T285 R286 F296 F300 | K251-E298 CarbonylContact C-O 3.55Å; K251-E298 WeakPolarHBondContact CA-O 3.19Å; I252-E298 PolarHBondContact N-O 3.14Å; I252-E298 PolarHBondContact O-N 3.47Å; T285-E298 VanDerWaalsContact CA-OE1 3.29Å; T285-E298 WeakPolarHBondContact CA-OE1 3.24Å; T285-E298 VanDerWaalsContact CB-OE1 3.23Å; T285-E298 WeakPolarHBondContact CB-OE1 3.48Å; R286-E298 WeakPolarHBondContact CG-OE2 3.33Å; R286-E298 PolarHBondContact N-OE1 2.82Å; R286-E298 IonicContact NE-OE2 3.53Å; R286-E298 PolarHBondContact NE-OE2 3.28Å; F296-E298 VanDerWaalsContact C-N 3.27Å; F296-E298 PolarHBondContact O-N 2.9Å; E298-F300 HydrophobicContact CB-CE2 3.65Å; E298-F300 HydrophobicContact CB-CZ 3.68Å; E298-F300 WeakPolarHBondContact O-CE2 3.47Å |
| 299 | T | 96.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 65.1 Ų | 65.1 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.2 | -178.4 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | V249 K251 | V249-T299 HydrophobicContact CG1-CG2 3.5Å; V249-T299 VanDerWaalsContact CG1-CG2 3.5Å; K251-T299 HydrophobicContact CB-CG2 4.21Å; K251-T299 WeakPolarHBondContact CD-OG1 2.92Å; K251-T299 WeakPolarHBondContact CG-OG1 3.19Å |
| 300 | F | 96.5 | Very high | 93.5 | Very high | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156.8 | -178.7 | -53.7 | -82.2 | 0 | 0 | 0 | 110.5 | V249 V250 I252 M273 F283 T285 E298 | V249-F300 WeakPolarHBondContact CA-O 3.46Å; V250-F300 PolarHBondContact N-O 2.92Å; V250-F300 PolarHBondContact O-N 3.24Å; I252-F300 HydrophobicContact CG1-CD2 4.48Å; I252-F300 HydrophobicContact CG1-CE2 4.22Å; M273-F300 HydrophobicContact CE-CB 4.41Å; M273-F300 HydrophobicContact CE-CD2 3.26Å; M273-F300 HydrophobicContact CE-CE2 3.66Å; M273-F300 HydrophobicContact CE-CG 3.95Å; M273-F300 HydrophobicContact SD-CB 3.78Å; M273-F300 HydrophobicContact SD-CD2 3.77Å; M273-F300 HydrophobicContact SD-CG 3.84Å; F283-F300 HydrophobicContact CB-CB 4.23Å; F283-F300 HydrophobicContact CB-CD1 3.5Å; F283-F300 VanDerWaalsContact CB-CD1 3.5Å; F283-F300 HydrophobicContact CB-CE1 4.04Å; F283-F300 HydrophobicContact CB-CG 3.93Å; F283-F300 AromaticContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD2-CB 4.14Å; F283-F300 HydrophobicContact CG-CB 4.06Å; F283-F300 AromaticContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CG 4.22Å; T285-F300 HydrophobicContact CG2-CE2 4.02Å; T285-F300 HydrophobicContact CG2-CZ 4.05Å; E298-F300 HydrophobicContact CB-CE2 3.65Å; E298-F300 HydrophobicContact CB-CZ 3.68Å; E298-F300 WeakPolarHBondContact O-CE2 3.47Å |
| 301 | Q | 95.1 | Very high | 93.2 | Very high | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 118.8 | -173.7 | -66.1 | 177.4 | -19.9 | 0 | 0 | 110.5 | L247 V249 F283 | L247-Q301 HydrophobicContact CD1-CB 4.33Å; L247-Q301 HydrophobicContact CD1-CG 4.47Å; V249-Q301 HydrophobicContact CG2-CG 4.41Å; F283-Q301 VanDerWaalsContact CE2-O 3.27Å; F283-Q301 WeakPolarHBondContact CE2-O 3.4Å; F283-Q301 WeakPolarHBondContact CZ-O 3.28Å |
| 302 | F | 94 | Very high | 92.9 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.4 | 173.5 | -67.6 | -89.6 | 0 | 0 | 0 | 110 | L247 L248 V250 M273 L275 F283 V304 L314 | L247-F302 WeakPolarHBondContact CA-O 3.46Å; L248-F302 HydrophobicContact CB-CB 4.34Å; L248-F302 PolarHBondContact N-O 2.98Å; L248-F302 PolarHBondContact O-N 3.43Å; V250-F302 HydrophobicContact CB-CE2 4.47Å; V250-F302 HydrophobicContact CG2-CD2 3.91Å; V250-F302 HydrophobicContact CG2-CE2 3.99Å; M273-F302 HydrophobicContact CB-CZ 4.24Å; M273-F302 HydrophobicContact CG-CE2 4.22Å; M273-F302 HydrophobicContact CG-CZ 3.81Å; M273-F302 HydrophobicContact SD-CE2 3.65Å; M273-F302 HydrophobicContact SD-CZ 3.87Å; L275-F302 HydrophobicContact CB-CD1 3.6Å; L275-F302 HydrophobicContact CB-CE1 3.8Å; L275-F302 HydrophobicContact CB-CG 4.09Å; L275-F302 HydrophobicContact CB-CZ 4.42Å; L275-F302 HydrophobicContact CD2-CB 3.87Å; L275-F302 HydrophobicContact CD2-CD1 4.39Å; L275-F302 HydrophobicContact CD2-CG 4.26Å; F283-F302 HydrophobicContact CD2-CD1 4.14Å; F283-F302 HydrophobicContact CD2-CD2 4.44Å; F283-F302 AromaticContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE2 4.01Å; F283-F302 AromaticContact CD2-CZ 3.61Å; F283-F302 HydrophobicContact CD2-CZ 3.61Å; F283-F302 AromaticContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD2 4.33Å; F283-F302 AromaticContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE2 4.34Å; F283-F302 HydrophobicContact CE2-CG 4.08Å; F283-F302 HydrophobicContact CE2-CZ 4.1Å; F302-V304 PolarHBondContact O-N 3.48Å; F302-L314 HydrophobicContact CE2-CD1 3.87Å; F302-L314 HydrophobicContact CZ-CD1 4.17Å |
| 303 | P | 92.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 115.9 | 173.1 | 28.9 | -34 | 0 | 0 | 0 | 110.4 | L247 | L247-P303 HydrophobicContact CD2-CB 3.74Å |
| 304 | V | 92.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | trans | -160 | 126.8 | -176.4 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | Y241 E246 L248 L275 F302 Q308 L309 R312 | Y241-V304 HydrophobicContact CE2-CG1 4.48Å; Y241-V304 WeakPolarHBondContact CE2-O 3.32Å; Y241-V304 PolarHBondContact OH-O 2.63Å; E246-V304 CarbonylContact O-C 3.49Å; E246-V304 PolarHBondContact O-N 3.38Å; E246-V304 VanDerWaalsContact O-O 3.12Å; L248-V304 HydrophobicContact CB-CG1 3.81Å; L275-V304 HydrophobicContact CD2-CB 3.91Å; L275-V304 HydrophobicContact CD2-CG1 3.78Å; L275-V304 HydrophobicContact CD2-CG2 4.16Å; F302-V304 PolarHBondContact O-N 3.48Å; V304-Q308 HydrophobicContact CG2-CB 4.08Å; V304-L309 HydrophobicContact CG1-CD2 3.6Å; V304-L309 HydrophobicContact CG1-CG 4.47Å; V304-L309 HydrophobicContact CG2-CD2 4.29Å; V304-R312 HydrophobicContact CG2-CG 4.3Å | ||
| 305 | A | 92.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | trans | -66 | 142.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D307 Q308 | A305-D307 PolarHBondContact O-N 3.31Å; A305-Q308 HydrophobicContact CB-CG 4.44Å; A305-Q308 WeakPolarHBondContact O-CB 3.27Å; A305-Q308 PolarHBondContact O-N 3.46Å | ||
| 306 | Y | 90.7 | Very high | 92.3 | Very high | 83 Ų | 83 | 54.1 Ų | 54.1 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -53.4 | -47.7 | -170.7 | -175 | -103.1 | 0 | 0 | 0 | 113.1 | Y241 Y243 Q308 L309 F339 | Y241-Y306 AromaticContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CE2 4.3Å; Y241-Y306 AromaticContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CG 4.19Å; Y241-Y306 HydrophobicContact CG-CD2 4.09Å; Y241-Y306 PolarHBondContact OH-N 3.44Å; Y243-Y306 HydrophobicContact CD1-CD2 4.32Å; Y243-Y306 AromaticContact CE1-CD2 3.55Å; Y243-Y306 HydrophobicContact CE1-CD2 3.55Å; Y243-Y306 AromaticContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CE2 3.5Å; Y243-Y306 VanDerWaalsContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CG 4.11Å; Y243-Y306 AromaticContact CZ-CE2 3.71Å; Y243-Y306 VanDerWaalsContact OH-CE2 3.26Å; Y243-Y306 WeakPolarHBondContact OH-CE2 3.14Å; Y306-Q308 PolarHBondContact O-N 3.38Å; Y306-Q308 VanDerWaalsContact O-N 3.1Å; Y306-L309 HydrophobicContact CD2-CD1 3.77Å; Y306-L309 HydrophobicContact CE2-CD1 4.29Å; Y306-L309 HydrophobicContact CG-CD1 4.44Å; Y306-L309 VanDerWaalsContact O-CB 3.27Å; Y306-L309 WeakPolarHBondContact O-CB 3.15Å; Y306-L309 WeakPolarHBondContact O-CG 3.43Å; Y306-L309 PolarHBondContact O-N 3.42Å; Y306-F339 AromaticContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CZ 4.18Å; Y306-F339 AromaticContact CZ-CE1 3.71Å |
| 307 | D | 90.3 | Very high | 92.2 | Very high | 138 Ų | 138 | 53.7 Ų | 53.7 | 74% | 0.738 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -58.8 | -28 | -179 | -59.7 | -15 | 0 | 0 | 0 | 112.9 | A305 S310 | A305-D307 PolarHBondContact O-N 3.31Å; D307-S310 PolarHBondContact O-OG 3.45Å |
| 308 | Q | 88.9 | Confident | 92.1 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 43% | 0.425 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -77.3 | -22.9 | 179.1 | -59.3 | -172.5 | 22.3 | 0 | 0 | 113.1 | V304 A305 Y306 S310 N311 R312 | V304-Q308 HydrophobicContact CG2-CB 4.08Å; A305-Q308 HydrophobicContact CB-CG 4.44Å; A305-Q308 WeakPolarHBondContact O-CB 3.27Å; A305-Q308 PolarHBondContact O-N 3.46Å; Y306-Q308 PolarHBondContact O-N 3.38Å; Y306-Q308 VanDerWaalsContact O-N 3.1Å; Q308-S310 PolarHBondContact O-N 2.94Å; Q308-S310 VanDerWaalsContact O-N 3.14Å; Q308-N311 PolarHBondContact O-N 2.9Å; Q308-R312 WeakPolarHBondContact O-CG 3.34Å |
| 309 | L | 87.9 | Confident | 91.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -55.7 | -34 | -175 | -70.6 | 169.6 | 0 | 0 | 0 | 112.7 | Y241 L248 V304 Y306 N311 R312 L338 F339 L344 | Y241-L309 HydrophobicContact CD2-CD1 3.68Å; Y241-L309 HydrophobicContact CE2-CD1 3.87Å; Y241-L309 HydrophobicContact CG-CD1 4.25Å; L248-L309 HydrophobicContact CB-CD2 4.34Å; L248-L309 HydrophobicContact CD2-CD2 4.16Å; V304-L309 HydrophobicContact CG1-CD2 3.6Å; V304-L309 HydrophobicContact CG1-CG 4.47Å; V304-L309 HydrophobicContact CG2-CD2 4.29Å; Y306-L309 HydrophobicContact CD2-CD1 3.77Å; Y306-L309 HydrophobicContact CE2-CD1 4.29Å; Y306-L309 HydrophobicContact CG-CD1 4.44Å; Y306-L309 VanDerWaalsContact O-CB 3.27Å; Y306-L309 WeakPolarHBondContact O-CB 3.15Å; Y306-L309 WeakPolarHBondContact O-CG 3.43Å; Y306-L309 PolarHBondContact O-N 3.42Å; L309-N311 PolarHBondContact O-N 3.16Å; L309-N311 VanDerWaalsContact O-N 3.16Å; L309-R312 PolarHBondContact O-N 3.23Å; L309-L338 HydrophobicContact CD2-CD1 3.99Å; L309-F339 HydrophobicContact CB-CE2 3.82Å; L309-F339 HydrophobicContact CB-CZ 3.78Å; L309-F339 HydrophobicContact CD1-CZ 4.07Å; L309-L344 HydrophobicContact CD1-CD1 3.89Å |
| 310 | S | 86.6 | Confident | 91.6 | Very high | 67 Ų | 67 | 45.8 Ų | 45.8 | 47% | 0.469 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -58 | -25.5 | 177 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | D307 Q308 | D307-S310 PolarHBondContact O-OG 3.45Å; Q308-S310 PolarHBondContact O-N 2.94Å; Q308-S310 VanDerWaalsContact O-N 3.14Å |
| 311 | N | 85.6 | Confident | 91.3 | Very high | 134 Ų | 134 | 47 Ų | 47 | 72% | 0.717 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -108.7 | 11.8 | 180 | -63.7 | -70.1 | 0 | 0 | 0 | 112.6 | Q308 L309 | Q308-N311 PolarHBondContact O-N 2.9Å; L309-N311 PolarHBondContact O-N 3.16Å; L309-N311 VanDerWaalsContact O-N 3.16Å |
| 312 | R | 87.1 | Confident | 90.4 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | trans | -109.8 | 146.8 | 178.2 | -62.1 | -60.8 | -179.3 | 143.2 | 1.1 | 110.7 | L275 L276 V304 Q308 L309 | L275-R312 HydrophobicContact CD1-CB 3.8Å; L275-R312 HydrophobicContact CD1-CG 4.45Å; L275-R312 HydrophobicContact CD2-CG 4.45Å; L275-R312 HydrophobicContact CG-CB 4.12Å; L275-R312 HydrophobicContact CG-CG 4.29Å; L276-R312 WeakPolarHBondContact O-CA 3.48Å; L276-R312 VanDerWaalsContact O-CD 3.22Å; L276-R312 WeakPolarHBondContact O-CD 3.21Å; V304-R312 HydrophobicContact CG2-CG 4.3Å; Q308-R312 WeakPolarHBondContact O-CG 3.34Å; L309-R312 PolarHBondContact O-N 3.23Å | ||
| 313 | K | 90.8 | Very high | 89.5 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 37% | 0.365 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.8 | 173 | -51.2 | -176.9 | 159.7 | -151.7 | 0 | 109.4 | L275 L276 L335 D336 | L275-K313 CarbonylContact C-O 3.57Å; L276-K313 HydrophobicContact CB-CB 4.2Å; L276-K313 PolarHBondContact N-O 3.14Å; L276-K313 PolarHBondContact O-N 3.34Å; L276-K313 VanDerWaalsContact O-N 3.14Å; K313-L335 VanDerWaalsContact CA-O 3.24Å; K313-L335 WeakPolarHBondContact CA-O 3.43Å; K313-D336 WeakPolarHBondContact CD-OD1 3.26Å; K313-D336 WeakPolarHBondContact CE-OD1 3.27Å; K313-D336 IonicContact NZ-OD1 3.34Å; K313-D336 PolarHBondContact NZ-OD1 2.76Å; K313-D336 IonicContact NZ-OD2 2.72Å; K313-D336 PolarHBondContact NZ-OD2 3.13Å |
| 314 | L | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 119.2 | 174.1 | -175.6 | 62 | 0 | 0 | 0 | 108.6 | L239 V250 L275 F302 F316 L335 L338 | L239-L314 HydrophobicContact CD2-CD2 3.6Å; V250-L314 HydrophobicContact CG1-CD2 4.08Å; V250-L314 HydrophobicContact CG2-CD1 4.42Å; V250-L314 HydrophobicContact CG2-CD2 3.84Å; L275-L314 HydrophobicContact CD1-CB 4.49Å; L275-L314 HydrophobicContact CD1-CD1 4.42Å; F302-L314 HydrophobicContact CE2-CD1 3.87Å; F302-L314 HydrophobicContact CZ-CD1 4.17Å; L314-F316 HydrophobicContact CD1-CE1 4.4Å; L314-F316 HydrophobicContact CD1-CZ 4.46Å; L314-F316 HydrophobicContact CD2-CE1 4.12Å; L314-F316 HydrophobicContact CD2-CE2 3.97Å; L314-F316 HydrophobicContact CD2-CZ 3.42Å; L314-F316 VanDerWaalsContact CD2-CZ 3.42Å; L314-F316 HydrophobicContact CG-CE1 4.11Å; L314-F316 HydrophobicContact CG-CE2 4.09Å; L314-F316 HydrophobicContact CG-CZ 3.73Å; L314-L335 HydrophobicContact CB-CB 4.29Å; L314-L335 HydrophobicContact CB-CD1 4.33Å; L314-L335 HydrophobicContact CD2-CD1 4.2Å; L314-L335 PolarHBondContact N-O 3.31Å; L314-L335 VanDerWaalsContact N-O 3.09Å; L314-L335 PolarHBondContact O-N 3.31Å; L314-L338 HydrophobicContact CB-CD2 3.62Å; L314-L338 HydrophobicContact CD2-CD2 4.42Å |
| 315 | H | 93.1 | Very high | 86.1 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.8 | -176.8 | 177.1 | -144.8 | 0 | 0 | 0 | 109.8 | M273 Y274 L276 S317 E332 | M273-H315 CarbonylContact C-O 3.58Å; M273-H315 VanDerWaalsContact CA-O 3.27Å; M273-H315 WeakPolarHBondContact CA-O 3.4Å; Y274-H315 AromaticContact CD2-ND1 3.78Å; Y274-H315 PolarHBondContact N-O 3.45Å; Y274-H315 PolarHBondContact O-N 2.72Å; L276-H315 HydrophobicContact CD1-CB 3.87Å; L276-H315 HydrophobicContact CG-CB 4.14Å; H315-S317 PolarHBondContact CE1-OG 3.05Å; H315-S317 VanDerWaalsContact CE1-OG 3.25Å; H315-S317 PolarHBondContact NE2-OG 3.32Å; H315-E332 IonicContact CD2-OE2 3.88Å; H315-E332 IonicContact CE1-OE2 2.66Å; H315-E332 IonicContact NE2-OE2 2.7Å; H315-E332 PolarHBondContact NE2-OE2 2.9Å |
| 316 | F | 95.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.3 | 170.4 | -55.8 | -67.1 | 0 | 0 | 0 | 109.5 | L235 F237 V250 I252 V271 K272 M273 L314 E332 V333 L335 | L235-F316 HydrophobicContact CD2-CB 3.85Å; L235-F316 HydrophobicContact CD2-CD1 4.44Å; L235-F316 HydrophobicContact CD2-CD2 3.92Å; L235-F316 HydrophobicContact CD2-CG 3.82Å; F237-F316 AromaticContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CZ 4.35Å; F237-F316 HydrophobicContact CD2-CE2 4.09Å; F237-F316 HydrophobicContact CD2-CZ 4.08Å; F237-F316 HydrophobicContact CE1-CD2 4.34Å; F237-F316 AromaticContact CE1-CE2 3.79Å; F237-F316 HydrophobicContact CE1-CE2 3.79Å; F237-F316 AromaticContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CZ 4.34Å; F237-F316 HydrophobicContact CG-CE2 4.08Å; F237-F316 HydrophobicContact CG-CZ 4.09Å; F237-F316 AromaticContact CZ-CE2 3.83Å; F237-F316 HydrophobicContact CZ-CE2 3.83Å; V250-F316 HydrophobicContact CG1-CE1 3.8Å; V250-F316 HydrophobicContact CG1-CZ 3.78Å; I252-F316 HydrophobicContact CD1-CD1 4.05Å; I252-F316 HydrophobicContact CD1-CE1 3.56Å; I252-F316 HydrophobicContact CD1-CZ 4.07Å; V271-F316 HydrophobicContact CG1-CB 4.13Å; V271-F316 HydrophobicContact CG1-CD1 4.27Å; K272-F316 WeakPolarHBondContact O-CA 3.21Å; M273-F316 HydrophobicContact CB-CD1 3.76Å; M273-F316 HydrophobicContact CB-CE1 4.01Å; M273-F316 HydrophobicContact CE-CD1 4.44Å; M273-F316 HydrophobicContact CE-CE1 4.07Å; L314-F316 HydrophobicContact CD1-CE1 4.4Å; L314-F316 HydrophobicContact CD1-CZ 4.46Å; L314-F316 HydrophobicContact CD2-CE1 4.12Å; L314-F316 HydrophobicContact CD2-CE2 3.97Å; L314-F316 HydrophobicContact CD2-CZ 3.42Å; L314-F316 VanDerWaalsContact CD2-CZ 3.42Å; L314-F316 HydrophobicContact CG-CE1 4.11Å; L314-F316 HydrophobicContact CG-CE2 4.09Å; L314-F316 HydrophobicContact CG-CZ 3.73Å; F316-E332 CarbonylContact O-C 3.58Å; F316-E332 WeakPolarHBondContact O-CA 3.36Å; F316-E332 WeakPolarHBondContact O-CB 3.33Å; F316-V333 HydrophobicContact CB-CB 4.24Å; F316-V333 HydrophobicContact CD2-CB 4.1Å; F316-V333 HydrophobicContact CD2-CG1 4.19Å; F316-V333 PolarHBondContact N-O 2.89Å; F316-V333 PolarHBondContact O-N 3.42Å; F316-L335 HydrophobicContact CE2-CD1 4.16Å |
| 317 | S | 93.2 | Very high | 84 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.6 | 173.3 | -48.1 | 0 | 0 | 0 | 0 | 108.5 | K272 H315 Y319 | K272-S317 PolarHBondContact N-O 2.86Å; K272-S317 PolarHBondContact O-N 2.98Å; H315-S317 PolarHBondContact CE1-OG 3.05Å; H315-S317 VanDerWaalsContact CE1-OG 3.25Å; H315-S317 PolarHBondContact NE2-OG 3.32Å; S317-Y319 VanDerWaalsContact CB-CE2 3.47Å; S317-Y319 WeakPolarHBondContact O-CD2 3.41Å |
| 318 | V | 94.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.1 | 180 | -170 | 0 | 0 | 0 | 0 | 108.4 | L258 V271 I330 G331 I354 | L258-V318 HydrophobicContact CD1-CG1 4.41Å; L258-V318 HydrophobicContact CD2-CG1 4.34Å; V271-V318 HydrophobicContact CG2-CG2 4.29Å; V318-I330 HydrophobicContact CB-CB 4.31Å; V318-I330 HydrophobicContact CG1-CB 4.18Å; V318-I330 HydrophobicContact CG1-CD1 4.25Å; V318-I330 HydrophobicContact CG1-CG2 4.32Å; V318-I330 WeakPolarHBondContact O-CB 3.21Å; V318-I330 PolarHBondContact O-N 2.95Å; V318-G331 PolarHBondContact N-O 2.97Å; V318-G331 PolarHBondContact O-N 2.79Å; V318-I354 HydrophobicContact CG2-CD1 4.06Å; V318-I354 HydrophobicContact CG2-CG1 4.37Å; V318-I354 HydrophobicContact CG2-CG2 4.4Å |
| 319 | Y | 92.6 | Very high | 83.4 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 18% | 0.18 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.1 | -177.2 | -72.9 | -85.4 | 0 | 0 | 0 | 110.7 | P269 Y270 K272 S317 H327 D328 M329 | P269-Y319 CarbonylContact C-O 3.5Å; P269-Y319 VanDerWaalsContact CA-O 3.28Å; P269-Y319 WeakPolarHBondContact CA-O 3.28Å; Y270-Y319 HydrophobicContact CE1-CG 4.3Å; Y270-Y319 HydrophobicContact CE2-CD2 4.22Å; Y270-Y319 HydrophobicContact CE2-CG 4.42Å; Y270-Y319 AromaticContact CZ-CG 3.84Å; Y270-Y319 PolarHBondContact N-O 3.32Å; Y270-Y319 PolarHBondContact O-N 3.26Å; Y270-Y319 VanDerWaalsContact OH-CB 3.3Å; Y270-Y319 WeakPolarHBondContact OH-CB 3.39Å; K272-Y319 HydrophobicContact CB-CE2 4.38Å; K272-Y319 HydrophobicContact CD-CD2 4.05Å; K272-Y319 HydrophobicContact CD-CE2 3.74Å; K272-Y319 HydrophobicContact CG-CD2 4.42Å; K272-Y319 HydrophobicContact CG-CE2 4.41Å; S317-Y319 VanDerWaalsContact CB-CE2 3.47Å; S317-Y319 WeakPolarHBondContact O-CD2 3.41Å; Y319-H327 HydrophobicContact CD1-CB 4.49Å; Y319-D328 CarbonylContact C-O 3.54Å; Y319-D328 VanDerWaalsContact CA-O 3.29Å; Y319-D328 WeakPolarHBondContact CA-O 3.49Å; Y319-M329 HydrophobicContact CD1-CB 4Å; Y319-M329 HydrophobicContact CD1-CG 4.24Å; Y319-M329 HydrophobicContact CE1-CB 3.75Å; Y319-M329 HydrophobicContact CE1-CG 3.85Å; Y319-M329 HydrophobicContact CE1-SD 4.31Å |
| 320 | D | 91.1 | Very high | 83.5 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 138.5 | 160 | -165.8 | 12.7 | 0 | 0 | 0 | 110 | K261 D268 H327 D328 I330 | K261-D320 HydrophobicContact CB-CB 4.09Å; K261-D320 WeakPolarHBondContact CB-OD2 3.49Å; K261-D320 HydrophobicContact CG-CB 4.45Å; D268-D320 WeakPolarHBondContact CA-OD1 3.49Å; D268-D320 PolarHBondContact N-OD1 2.83Å; D320-H327 CarbonylContact O-C 3.58Å; D320-H327 VanDerWaalsContact O-CA 3.31Å; D320-H327 WeakPolarHBondContact O-CA 3.22Å; D320-H327 WeakPolarHBondContact O-CB 3.32Å; D320-D328 HydrophobicContact CB-CB 4.03Å; D320-D328 PolarHBondContact N-O 2.97Å; D320-D328 PolarHBondContact O-N 2.82Å; D320-I330 HydrophobicContact CB-CD1 4.2Å; D320-I330 HydrophobicContact CB-CG1 4.37Å |
| 321 | F | 89.2 | Confident | 83.8 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | trans | -92.8 | 128.7 | 177 | 173.5 | -87.5 | 0 | 0 | 0 | 110.5 | D268 Y270 V287 R323 H327 | D268-F321 HydrophobicContact CB-CB 3.98Å; D268-F321 VanDerWaalsContact O-CB 3.27Å; D268-F321 WeakPolarHBondContact O-CB 3.04Å; D268-F321 PolarHBondContact O-N 3.38Å; Y270-F321 HydrophobicContact CD1-CB 3.86Å; Y270-F321 HydrophobicContact CE1-CB 4.01Å; V287-F321 HydrophobicContact CB-CB 4.33Å; V287-F321 HydrophobicContact CB-CG 4.43Å; V287-F321 HydrophobicContact CG1-CB 3.47Å; V287-F321 VanDerWaalsContact CG1-CB 3.47Å; V287-F321 HydrophobicContact CG1-CD1 4.07Å; V287-F321 HydrophobicContact CG1-CG 3.76Å; V287-F321 HydrophobicContact CG2-CB 3.84Å; V287-F321 HydrophobicContact CG2-CD2 3.77Å; V287-F321 HydrophobicContact CG2-CG 3.83Å; F321-R323 HydrophobicContact CE1-CB 4.4Å; F321-H327 AromaticContact CD2-CE1 3.3Å; F321-H327 WeakPolarHBondContact CD2-CE1 3.13Å; F321-H327 AromaticContact CD2-ND1 3.97Å; F321-H327 AromaticContact CD2-NE2 3.52Å; F321-H327 AromaticContact CE2-CE1 3.51Å; F321-H327 AromaticContact CE2-NE2 3.48Å; F321-H327 WeakPolarHBondContact CE2-NE2 3.43Å | ||
| 322 | D | 77.3 | Confident | 84.1 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | trans | -126.2 | 133 | -176.3 | -147.1 | -23 | 0 | 0 | 0 | 110.9 | S325 H327 | D322-S325 PolarHBondContact OD1-OG 2.97Å; D322-S325 WeakPolarHBondContact OD2-CB 3.44Å; D322-S325 PolarHBondContact OD2-OG 2.79Å; D322-H327 PolarHBondContact N-CD2 2.95Å; D322-H327 PolarHBondContact O-CD2 2.93Å; D322-H327 PolarHBondContact O-NE2 2.9Å | ||
| 323 | R | 75.4 | Confident | 84.4 | Confident | 193 Ų | 193 | 48.9 Ų | 48.9 | 73% | 0.728 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -82.8 | -31.4 | -172.4 | -177.3 | 174.6 | 178.7 | -174.5 | 0.3 | 113 | F321 | F321-R323 HydrophobicContact CE1-CB 4.4Š|
| 324 | F | 55 | Low | 84.4 | Confident | 179 Ų | 179 | 48.6 Ų | 48.6 | 79% | 0.785 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -124.1 | 0.7 | -171.6 | -56.7 | -67.2 | 0 | 0 | 0 | 112.9 | ||
| 325 | S | 56.6 | Low | 84.4 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -128.9 | -179.9 | 179.4 | -9.8 | 0 | 0 | 0 | 0 | 110.3 | D322 | D322-S325 PolarHBondContact OD1-OG 2.97Å; D322-S325 WeakPolarHBondContact OD2-CB 3.44Å; D322-S325 PolarHBondContact OD2-OG 2.79Å |
| 326 | R | 61 | Low | 84 | Confident | 112 Ų | 112 | 52 Ų | 52 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -74.5 | 145.3 | 168.6 | -65.6 | 171.7 | 172.8 | -141.1 | -14.5 | 109.1 | D328 M393 E462 | R326-D328 PolarHBondContact O-N 3.34Å; R326-M393 PolarHBondContact NH1-SD 3.4Å; R326-M393 PolarHBondContact NH2-SD 3.03Å; R326-E462 IonicContact CZ-OE1 3.99Å; R326-E462 IonicContact CZ-OE2 3.78Å; R326-E462 IonicContact NE-OE1 2.64Å; R326-E462 IonicContact NE-OE2 2.83Å; R326-E462 VanDerWaalsContact NH2-CD 3.35Å; R326-E462 IonicContact NH2-OE1 2.85Å; R326-E462 PolarHBondContact NH2-OE1 3.26Å; R326-E462 IonicContact NH2-OE2 2.82Å; R326-E462 PolarHBondContact NH2-OE2 2.77Å |
| 327 | H | 79.9 | Confident | 83.4 | Confident | 70 Ų | 70 | 55 Ų | 55 | 32% | 0.324 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 118.1 | 179.2 | -64 | -173.1 | 0 | 0 | 0 | 110.3 | Y270 Y319 D320 F321 D322 | Y270-H327 HydrophobicContact CE1-CB 4.34Å; Y270-H327 AromaticContact CE1-ND1 3.55Å; Y270-H327 AromaticContact CZ-ND1 3.42Å; Y270-H327 PolarHBondContact OH-ND1 2.85Å; Y319-H327 HydrophobicContact CD1-CB 4.49Å; D320-H327 CarbonylContact O-C 3.58Å; D320-H327 VanDerWaalsContact O-CA 3.31Å; D320-H327 WeakPolarHBondContact O-CA 3.22Å; D320-H327 WeakPolarHBondContact O-CB 3.32Å; F321-H327 AromaticContact CD2-CE1 3.3Å; F321-H327 WeakPolarHBondContact CD2-CE1 3.13Å; F321-H327 AromaticContact CD2-ND1 3.97Å; F321-H327 AromaticContact CD2-NE2 3.52Å; F321-H327 AromaticContact CE2-CE1 3.51Å; F321-H327 AromaticContact CE2-NE2 3.48Å; F321-H327 WeakPolarHBondContact CE2-NE2 3.43Å; D322-H327 PolarHBondContact N-CD2 2.95Å; D322-H327 PolarHBondContact O-CD2 2.93Å; D322-H327 PolarHBondContact O-NE2 2.9Å |
| 328 | D | 80.2 | Confident | 83.1 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 132.8 | -176 | -117.4 | 34.3 | 0 | 0 | 0 | 111.4 | K261 Y319 D320 R326 I330 | K261-D328 WeakPolarHBondContact CD-OD2 3.29Å; K261-D328 IonicContact NZ-OD2 3.7Å; K261-D328 PolarHBondContact NZ-OD2 2.98Å; Y319-D328 CarbonylContact C-O 3.54Å; Y319-D328 VanDerWaalsContact CA-O 3.29Å; Y319-D328 WeakPolarHBondContact CA-O 3.49Å; D320-D328 HydrophobicContact CB-CB 4.03Å; D320-D328 PolarHBondContact N-O 2.97Å; D320-D328 PolarHBondContact O-N 2.82Å; R326-D328 PolarHBondContact O-N 3.34Å; D328-I330 PolarHBondContact O-N 3.46Å |
| 329 | M | 86.1 | Confident | 82.6 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 15% | 0.153 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 125 | 173.4 | -164 | 168.6 | 166.5 | 0 | 0 | 109.2 | K261 Y319 E332 A357 | K261-M329 PolarHBondContact NZ-O 2.9Å; Y319-M329 HydrophobicContact CD1-CB 4Å; Y319-M329 HydrophobicContact CD1-CG 4.24Å; Y319-M329 HydrophobicContact CE1-CB 3.75Å; Y319-M329 HydrophobicContact CE1-CG 3.85Å; Y319-M329 HydrophobicContact CE1-SD 4.31Å; M329-E332 HydrophobicContact CE-CB 3.77Å; M329-E332 HydrophobicContact CE-CG 4.13Å; M329-A357 HydrophobicContact CB-CB 4.05Å; M329-A357 HydrophobicContact CE-CB 4.06Å; M329-A357 HydrophobicContact CG-CB 3.71Å; M329-A357 HydrophobicContact SD-CB 3.87Å |
| 330 | I | 90.6 | Very high | 82.1 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -47.1 | 174.3 | -70.6 | 171.7 | 0 | 0 | 0 | 109 | C232 L258 P259 K261 P269 V318 D320 D328 A357 | C232-I330 HydrophobicContact CB-CG2 4.07Å; C232-I330 PolarHBondContact SG-O 3Å; C232-I330 VanDerWaalsContact SG-O 3.4Å; L258-I330 HydrophobicContact CD1-CD1 4.45Å; L258-I330 HydrophobicContact CD2-CG2 4.25Å; P259-I330 HydrophobicContact CG-CG2 3.72Å; K261-I330 HydrophobicContact CG-CG1 4.14Å; P269-I330 HydrophobicContact CB-CD1 4.43Å; V318-I330 HydrophobicContact CB-CB 4.31Å; V318-I330 HydrophobicContact CG1-CB 4.18Å; V318-I330 HydrophobicContact CG1-CD1 4.25Å; V318-I330 HydrophobicContact CG1-CG2 4.32Å; V318-I330 WeakPolarHBondContact O-CB 3.21Å; V318-I330 PolarHBondContact O-N 2.95Å; D320-I330 HydrophobicContact CB-CD1 4.2Å; D320-I330 HydrophobicContact CB-CG1 4.37Å; D328-I330 PolarHBondContact O-N 3.46Å; I330-A357 PolarHBondContact O-N 3.08Å |
| 331 | G | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -171.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V318 H355 | V318-G331 PolarHBondContact N-O 2.97Å; V318-G331 PolarHBondContact O-N 2.79Å; G331-H355 CarbonylContact C-O 3.59Å; G331-H355 WeakPolarHBondContact CA-O 3.16Å |
| 332 | E | 92.7 | Very high | 81 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 160.3 | -178.3 | 58.6 | 177.3 | -160 | 0 | 0 | 114.1 | H315 F316 M329 H355 | H315-E332 IonicContact CD2-OE2 3.88Å; H315-E332 IonicContact CE1-OE2 2.66Å; H315-E332 IonicContact NE2-OE2 2.7Å; H315-E332 PolarHBondContact NE2-OE2 2.9Å; F316-E332 CarbonylContact O-C 3.58Å; F316-E332 WeakPolarHBondContact O-CA 3.36Å; F316-E332 WeakPolarHBondContact O-CB 3.33Å; M329-E332 HydrophobicContact CE-CB 3.77Å; M329-E332 HydrophobicContact CE-CG 4.13Å; E332-H355 PolarHBondContact N-O 3.5Å; E332-H355 PolarHBondContact O-N 2.94Å |
| 333 | V | 93.3 | Very high | 81.1 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.3 | 170.8 | 178.6 | 0 | 0 | 0 | 0 | 107 | L235 F316 L335 K352 I354 | L235-V333 HydrophobicContact CB-CG2 4.35Å; L235-V333 HydrophobicContact CD2-CG2 4.44Å; F316-V333 HydrophobicContact CB-CB 4.24Å; F316-V333 HydrophobicContact CD2-CB 4.1Å; F316-V333 HydrophobicContact CD2-CG1 4.19Å; F316-V333 PolarHBondContact N-O 2.89Å; F316-V333 PolarHBondContact O-N 3.42Å; V333-L335 HydrophobicContact CG1-CD2 4.01Å; V333-K352 HydrophobicContact CG1-CB 3.59Å; V333-K352 HydrophobicContact CG1-CG 3.93Å; V333-K352 HydrophobicContact CG2-CB 4.34Å; V333-I354 HydrophobicContact CG2-CB 4.44Å; V333-I354 HydrophobicContact CG2-CG1 4Å |
| 334 | I | 91.4 | Very high | 81.6 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 40% | 0.395 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.2 | 176.1 | -60.2 | 168.2 | 0 | 0 | 0 | 108.3 | D336 | I334-D336 VanDerWaalsContact CG2-OD1 3.24Å; I334-D336 WeakPolarHBondContact CG2-OD1 3.45Å |
| 335 | L | 91.3 | Very high | 82.9 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 104 | 171.2 | -50 | -175.9 | 0 | 0 | 0 | 108.7 | F237 L239 K313 L314 F316 V333 L338 V341 K352 | F237-L335 HydrophobicContact CE2-CD1 3.71Å; F237-L335 HydrophobicContact CZ-CD1 3.68Å; F237-L335 HydrophobicContact CZ-CD2 4.17Å; F237-L335 HydrophobicContact CZ-CG 4.43Å; L239-L335 HydrophobicContact CD1-CD1 3.99Å; K313-L335 VanDerWaalsContact CA-O 3.24Å; K313-L335 WeakPolarHBondContact CA-O 3.43Å; L314-L335 HydrophobicContact CB-CB 4.29Å; L314-L335 HydrophobicContact CB-CD1 4.33Å; L314-L335 HydrophobicContact CD2-CD1 4.2Å; L314-L335 PolarHBondContact N-O 3.31Å; L314-L335 VanDerWaalsContact N-O 3.09Å; L314-L335 PolarHBondContact O-N 3.31Å; F316-L335 HydrophobicContact CE2-CD1 4.16Å; V333-L335 HydrophobicContact CG1-CD2 4.01Å; L335-L338 HydrophobicContact CB-CD2 3.84Å; L335-L338 HydrophobicContact CD1-CD2 4.08Å; L335-V341 HydrophobicContact CD1-CG1 4.29Å; L335-V341 HydrophobicContact CD2-CG1 4.28Å; L335-V341 HydrophobicContact CD2-CG2 4.33Å; L335-K352 HydrophobicContact CD2-CD 4.39Å; L335-K352 HydrophobicContact CD2-CG 4.02Å |
| 336 | D | 85.1 | Confident | 84.3 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -75.8 | -34.6 | -177.7 | -86.5 | 5.2 | 0 | 0 | 0 | 113.5 | K313 I334 | K313-D336 WeakPolarHBondContact CD-OD1 3.26Å; K313-D336 WeakPolarHBondContact CE-OD1 3.27Å; K313-D336 IonicContact NZ-OD1 3.34Å; K313-D336 PolarHBondContact NZ-OD1 2.76Å; K313-D336 IonicContact NZ-OD2 2.72Å; K313-D336 PolarHBondContact NZ-OD2 3.13Å; I334-D336 VanDerWaalsContact CG2-OD1 3.24Å; I334-D336 WeakPolarHBondContact CG2-OD1 3.45Å |
| 337 | N | 84.2 | Confident | 85.4 | Confident | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | trans | -132.4 | 105.6 | 178.7 | -179.5 | 5.9 | 0 | 0 | 0 | 109.4 | F339 E340 V341 | N337-F339 VanDerWaalsContact C-N 3.29Å; N337-F339 PolarHBondContact O-N 2.82Å; N337-F339 PolarHBondContact OD1-N 2.88Å; N337-E340 HydrophobicContact CB-CB 4.13Å; N337-E340 PolarHBondContact O-N 3.22Å; N337-V341 WeakPolarHBondContact O-CG2 3.18Å | ||
| 338 | L | 85.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -32 | -175.3 | -59.1 | 176.2 | 0 | 0 | 0 | 112.7 | L239 L248 L275 L309 L314 L335 V341 S342 L344 | L239-L338 HydrophobicContact CD1-CD2 4.46Å; L248-L338 HydrophobicContact CD2-CD1 3.86Å; L275-L338 HydrophobicContact CD1-CD1 4.47Å; L309-L338 HydrophobicContact CD2-CD1 3.99Å; L314-L338 HydrophobicContact CB-CD2 3.62Å; L314-L338 HydrophobicContact CD2-CD2 4.42Å; L335-L338 HydrophobicContact CB-CD2 3.84Å; L335-L338 HydrophobicContact CD1-CD2 4.08Å; L338-V341 PolarHBondContact O-N 3.27Å; L338-S342 PolarHBondContact O-N 2.87Å; L338-S342 VanDerWaalsContact O-N 3.11Å; L338-L344 HydrophobicContact CB-CD1 4.28Å |
| 339 | F | 84.8 | Confident | 86.1 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -74.2 | -23.2 | -178.9 | -60.1 | -76.7 | 0 | 0 | 0 | 113.9 | Y306 L309 N337 L344 | Y306-F339 AromaticContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CZ 4.18Å; Y306-F339 AromaticContact CZ-CE1 3.71Å; L309-F339 HydrophobicContact CB-CE2 3.82Å; L309-F339 HydrophobicContact CB-CZ 3.78Å; L309-F339 HydrophobicContact CD1-CZ 4.07Å; N337-F339 VanDerWaalsContact C-N 3.29Å; N337-F339 PolarHBondContact O-N 2.82Å; N337-F339 PolarHBondContact OD1-N 2.88Å; F339-L344 HydrophobicContact CD1-CD1 3.97Å; F339-L344 HydrophobicContact CD1-CG 4.44Å; F339-L344 HydrophobicContact CE1-CD1 3.75Å; F339-L344 HydrophobicContact CZ-CD1 4.3Å |
| 340 | E | 81.1 | Confident | 86.4 | Confident | 159 Ų | 159 | 55 Ų | 55 | 74% | 0.743 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -77.2 | -27.8 | 173.6 | -177.3 | 180 | 169.2 | 0 | 0 | 111.6 | N337 | N337-E340 HydrophobicContact CB-CB 4.13Å; N337-E340 PolarHBondContact O-N 3.22Å |
| 341 | V | 76.8 | Confident | 86.6 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -91.6 | -29.7 | -173.6 | 179 | 0 | 0 | 0 | 0 | 112.2 | L335 N337 L338 V350 | L335-V341 HydrophobicContact CD1-CG1 4.29Å; L335-V341 HydrophobicContact CD2-CG1 4.28Å; L335-V341 HydrophobicContact CD2-CG2 4.33Å; N337-V341 WeakPolarHBondContact O-CG2 3.18Å; L338-V341 PolarHBondContact O-N 3.27Å; V341-V350 HydrophobicContact CG1-CB 4.39Å; V341-V350 HydrophobicContact CG1-CG1 3.49Å; V341-V350 VanDerWaalsContact CG1-CG1 3.49Å; V341-V350 HydrophobicContact CG1-CG2 4.02Å |
| 342 | S | 80.4 | Confident | 86.7 | Confident | 8 Ų | 8 | 64 Ų | 64 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | trans | -151.6 | 140.1 | -179.9 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | L338 L344 A348 | L338-S342 PolarHBondContact O-N 2.87Å; L338-S342 VanDerWaalsContact O-N 3.11Å; S342-L344 VanDerWaalsContact C-N 3.35Å; S342-L344 PolarHBondContact O-N 2.85Å; S342-A348 WeakPolarHBondContact OG-CB 3.28Å | ||
| 343 | D | 80.7 | Confident | 86.8 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | trans | -72.4 | 92.8 | 161 | 179.1 | -2.4 | 0 | 0 | 0 | 108.3 | S345 R346 | D343-S345 VanDerWaalsContact CG-OG 3.22Å; D343-S345 PolarHBondContact O-N 2.86Å; D343-S345 WeakPolarHBondContact OD1-CB 3.31Å; D343-S345 PolarHBondContact OD1-N 2.86Å; D343-S345 PolarHBondContact OD1-OG 3.46Å; D343-S345 PolarHBondContact OD2-OG 2.88Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.12Å | ||
| 344 | L | 85.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.4 | -174 | -60.1 | 179.6 | 0 | 0 | 0 | 114.2 | L239 Y241 L248 L309 L338 F339 S342 R346 | L239-L344 HydrophobicContact CB-CD2 3.83Å; L239-L344 HydrophobicContact CD1-CD2 4.4Å; Y241-L344 PolarHBondContact N-O 2.87Å; L248-L344 HydrophobicContact CD1-CD2 4.26Å; L309-L344 HydrophobicContact CD1-CD1 3.89Å; L338-L344 HydrophobicContact CB-CD1 4.28Å; F339-L344 HydrophobicContact CD1-CD1 3.97Å; F339-L344 HydrophobicContact CD1-CG 4.44Å; F339-L344 HydrophobicContact CE1-CD1 3.75Å; F339-L344 HydrophobicContact CZ-CD1 4.3Å; S342-L344 VanDerWaalsContact C-N 3.35Å; S342-L344 PolarHBondContact O-N 2.85Å; L344-R346 PolarHBondContact O-N 2.79Å |
| 345 | S | 83.3 | Confident | 86.8 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.7 | 174.7 | 71.9 | 0 | 0 | 0 | 0 | 113.5 | D343 | D343-S345 VanDerWaalsContact CG-OG 3.22Å; D343-S345 PolarHBondContact O-N 2.86Å; D343-S345 WeakPolarHBondContact OD1-CB 3.31Å; D343-S345 PolarHBondContact OD1-N 2.86Å; D343-S345 PolarHBondContact OD1-OG 3.46Å; D343-S345 PolarHBondContact OD2-OG 2.88Å |
| 346 | R | 84.1 | Confident | 86.4 | Confident | 188 Ų | 188 | 66.4 Ų | 66.4 | 71% | 0.709 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -134.4 | 153 | 179.6 | -60.6 | -177.7 | 67.7 | 177.8 | 0.2 | 110 | D343 L344 A348 | D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.12Å; L344-R346 PolarHBondContact O-N 2.79Å; R346-A348 PolarHBondContact O-N 3.21Å; R346-A348 VanDerWaalsContact O-N 3.1Å |
| 347 | E | 85.3 | Confident | 85.5 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | trans | -65 | 112.6 | 168.1 | -169.8 | -178.7 | -163.9 | 0 | 0 | 109.2 | T238 Q240 | T238-E347 WeakPolarHBondContact CB-OE1 3.27Å; T238-E347 HydrophobicContact CG2-CG 3.75Å; T238-E347 PolarHBondContact OG1-OE1 2.93Å; Q240-E347 HydrophobicContact CB-CB 4.49Å | ||
| 348 | A | 82.1 | Confident | 84.1 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T238 L239 S342 R346 | T238-A348 VanDerWaalsContact CA-O 3.28Å; T238-A348 WeakPolarHBondContact CA-O 3.13Å; T238-A348 WeakPolarHBondContact CB-O 3.06Å; L239-A348 PolarHBondContact N-O 2.99Å; L239-A348 PolarHBondContact O-N 3.06Å; S342-A348 WeakPolarHBondContact OG-CB 3.28Å; R346-A348 PolarHBondContact O-N 3.21Å; R346-A348 VanDerWaalsContact O-N 3.1Å |
| 349 | T | 91.8 | Very high | 82.5 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 55% | 0.546 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118.3 | -178 | -52 | 0 | 0 | 0 | 0 | 110.7 | N236 T238 I253 | N236-T349 WeakPolarHBondContact OD1-CG2 3.15Å; T238-T349 HydrophobicContact CG2-CG2 4.44Å; I253-T349 HydrophobicContact CD1-CG2 4.22Å |
| 350 | V | 93.2 | Very high | 80.7 | Confident | 13 Ų | 13 | 72 Ų | 72 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133 | -176.5 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | N236 F237 V341 K352 | N236-V350 WeakPolarHBondContact CA-O 3.26Å; F237-V350 HydrophobicContact CD2-CB 4.19Å; F237-V350 HydrophobicContact CE1-CB 4.42Å; F237-V350 HydrophobicContact CE1-CG1 4.15Å; F237-V350 HydrophobicContact CE2-CB 3.69Å; F237-V350 HydrophobicContact CE2-CG1 3.83Å; F237-V350 HydrophobicContact CE2-CG2 4.21Å; F237-V350 HydrophobicContact CZ-CB 3.81Å; F237-V350 HydrophobicContact CZ-CG1 3.47Å; F237-V350 VanDerWaalsContact CZ-CG1 3.47Å; F237-V350 PolarHBondContact N-O 2.85Å; F237-V350 VanDerWaalsContact N-O 3.13Å; F237-V350 PolarHBondContact O-N 3.25Å; V341-V350 HydrophobicContact CG1-CB 4.39Å; V341-V350 HydrophobicContact CG1-CG1 3.49Å; V341-V350 VanDerWaalsContact CG1-CG1 3.49Å; V341-V350 HydrophobicContact CG1-CG2 4.02Å; V350-K352 HydrophobicContact CG1-CG 4.14Å |
| 351 | W | 94.6 | Very high | 79.3 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.6 | 166.5 | -72.8 | 91.7 | 0 | 0 | 0 | 110 | K234 L235 N236 K254 L256 | K234-W351 HydrophobicContact CB-CE3 4.07Å; K234-W351 HydrophobicContact CB-CZ3 4.24Å; L235-W351 WeakPolarHBondContact O-CA 3.4Å; N236-W351 HydrophobicContact CB-CD2 3.86Å; N236-W351 HydrophobicContact CB-CE3 3.72Å; N236-W351 HydrophobicContact CB-CH2 3.82Å; N236-W351 HydrophobicContact CB-CZ2 3.95Å; N236-W351 HydrophobicContact CB-CZ3 3.7Å; N236-W351 WeakPolarHBondContact ND2-CZ2 3.33Å; N236-W351 PolarHBondContact ND2-NE1 2.7Å; K254-W351 HydrophobicContact CG-CH2 4.39Å; L256-W351 HydrophobicContact CD1-CH2 3.45Å; L256-W351 VanDerWaalsContact CD1-CH2 3.45Å; L256-W351 HydrophobicContact CD1-CZ3 3.73Å; L256-W351 HydrophobicContact CG-CH2 3.92Å; L256-W351 HydrophobicContact CG-CZ3 3.98Å |
| 352 | K | 94.7 | Very high | 78.7 | Confident | 80 Ų | 80 | 67 Ų | 67 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.5 | 169.8 | -72.5 | -68.3 | -176.1 | 175.6 | 0 | 110.4 | K234 L235 F237 V333 L335 V350 | K234-K352 CarbonylContact C-O 3.42Å; K234-K352 WeakPolarHBondContact CA-O 3.35Å; L235-K352 PolarHBondContact N-O 3.06Å; L235-K352 PolarHBondContact O-N 2.67Å; F237-K352 HydrophobicContact CE1-CB 4.31Å; F237-K352 HydrophobicContact CE1-CG 4.16Å; F237-K352 HydrophobicContact CZ-CG 4.15Å; V333-K352 HydrophobicContact CG1-CB 3.59Å; V333-K352 HydrophobicContact CG1-CG 3.93Å; V333-K352 HydrophobicContact CG2-CB 4.34Å; L335-K352 HydrophobicContact CD2-CD 4.39Å; L335-K352 HydrophobicContact CD2-CG 4.02Å; V350-K352 HydrophobicContact CG1-CG 4.14Å |
| 353 | D | 94.6 | Very high | 78.3 | Confident | 66 Ų | 66 | 71 Ų | 71 | 35% | 0.353 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 136.7 | 169.6 | -59.2 | -52.9 | 0 | 0 | 0 | 109.1 | T231 K234 H355 | T231-D353 HydrophobicContact CG2-CB 4.02Å; K234-D353 WeakPolarHBondContact CD-OD1 3.21Å; K234-D353 WeakPolarHBondContact CE-OD1 3.26Å; K234-D353 WeakPolarHBondContact CG-OD1 3.1Å; K234-D353 IonicContact NZ-OD1 3.71Å; K234-D353 PolarHBondContact NZ-OD1 3.07Å; D353-H355 PolarHBondContact O-N 2.82Å |
| 354 | I | 94.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 115.1 | 174.7 | -62.5 | 163.4 | 0 | 0 | 0 | 106.1 | T231 C232 G233 L235 L258 V318 V333 C356 | T231-I354 CarbonylContact C-O 3.57Å; T231-I354 WeakPolarHBondContact CA-O 3.49Å; C232-I354 HydrophobicContact CB-CG2 4.19Å; C232-I354 PolarHBondContact N-O 3.46Å; G233-I354 PolarHBondContact O-N 2.61Å; L235-I354 HydrophobicContact CB-CD1 4.18Å; L235-I354 HydrophobicContact CB-CG1 3.97Å; L258-I354 HydrophobicContact CD2-CD1 3.39Å; V318-I354 HydrophobicContact CG2-CD1 4.06Å; V318-I354 HydrophobicContact CG2-CG1 4.37Å; V318-I354 HydrophobicContact CG2-CG2 4.4Å; V333-I354 HydrophobicContact CG2-CB 4.44Å; V333-I354 HydrophobicContact CG2-CG1 4Å; I354-C356 PolarHBondContact O-N 3.21Å |
| 355 | H | 90.3 | Very high | 78.7 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126 | 170.9 | -63 | -67.8 | 0 | 0 | 0 | 107.5 | V229 G331 E332 D353 A357 | V229-H355 HydrophobicContact CG1-CB 4.1Å; V229-H355 WeakPolarHBondContact CG1-ND1 3.4Å; G331-H355 CarbonylContact C-O 3.59Å; G331-H355 WeakPolarHBondContact CA-O 3.16Å; E332-H355 PolarHBondContact N-O 3.5Å; E332-H355 PolarHBondContact O-N 2.94Å; D353-H355 PolarHBondContact O-N 2.82Å; H355-A357 PolarHBondContact O-N 3.39Å |
| 356 | C | 82.5 | Confident | 79.1 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 12% | 0.122 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 142.6 | 174.5 | -69.8 | 0 | 0 | 0 | 0 | 109.1 | K230 C232 I354 T358 | K230-C356 VanDerWaalsContact C-SG 3.57Å; K230-C356 HydrophobicContact CB-CB 4.36Å; K230-C356 WeakPolarHBondContact O-CB 3.4Å; K230-C356 PolarHBondContact O-N 2.95Å; K230-C356 PolarHBondContact O-SG 2.86Å; C232-C356 VanDerWaalsContact CA-SG 3.59Å; C232-C356 HydrophobicContact CB-CB 4Å; C232-C356 WeakPolarHBondContact CB-SG 3.24Å; C232-C356 PolarHBondContact N-SG 3.04Å; C232-C356 VanDerWaalsContact N-SG 3.41Å; C232-C356 WeakPolarHBondContact SG-CA 3.41Å; C232-C356 WeakPolarHBondContact SG-CB 3.47Å; C232-C356 CovalentContact SG-SG 2.03Å; C232-C356 PolarHBondContact SG-SG 3.34Å; I354-C356 PolarHBondContact O-N 3.21Å; C356-T358 PolarHBondContact O-N 3.39Å |
| 357 | A | 65.3 | Low | 79.7 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | trans | -68.4 | 89.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | M329 I330 H355 | M329-A357 HydrophobicContact CB-CB 4.05Å; M329-A357 HydrophobicContact CE-CB 4.06Å; M329-A357 HydrophobicContact CG-CB 3.71Å; M329-A357 HydrophobicContact SD-CB 3.87Å; I330-A357 PolarHBondContact O-N 3.08Å; H355-A357 PolarHBondContact O-N 3.39Å | ||
| 358 | T | 55.8 | Low | 80.2 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | trans | -56 | 139.7 | 161.5 | -31.9 | 0 | 0 | 0 | 0 | 106.7 | C356 E360 S361 | C356-T358 PolarHBondContact O-N 3.39Å; T358-E360 HydrophobicContact CG2-CG 4.43Å; T358-E360 PolarHBondContact O-N 3.25Å; T358-S361 PolarHBondContact O-N 3.32Å; T358-S361 PolarHBondContact O-OG 3.46Å | ||
| 359 | T | 51.5 | Low | 81 | Confident | 82 Ų | 82 | 51 Ų | 51 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -5 | -169.9 | -34.7 | 0 | 0 | 0 | 0 | 114.5 | E500 | T359-E500 HydrophobicContact CG2-CB 3.65Å; T359-E500 HydrophobicContact CG2-CG 3.81Å; T359-E500 WeakPolarHBondContact CG2-OE2 3.36Å |
| 360 | E | 47.4 | Very low | 81.3 | Confident | 151 Ų | 151 | 47.1 Ų | 47.1 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -18.1 | 174.9 | -50.6 | -174.3 | 157.5 | 0 | 0 | 113.9 | T358 V362 | T358-E360 HydrophobicContact CG2-CG 4.43Å; T358-E360 PolarHBondContact O-N 3.25Å; E360-V362 VanDerWaalsContact C-N 3.3Å; E360-V362 PolarHBondContact O-N 2.97Å |
| 361 | S | 52.4 | Low | 81.5 | Confident | 45 Ų | 45 | 46.5 Ų | 46.5 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -80.4 | -6.6 | -174.1 | 71.9 | 0 | 0 | 0 | 0 | 114.5 | T358 | T358-S361 PolarHBondContact O-N 3.32Å; T358-S361 PolarHBondContact O-OG 3.46Å |
| 362 | V | 63.1 | Low | 81.6 | Confident | 43 Ų | 43 | 42 Ų | 42 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -96.6 | 107 | 173.7 | -171 | 0 | 0 | 0 | 0 | 108.8 | E360 L364 K391 | E360-V362 VanDerWaalsContact C-N 3.3Å; E360-V362 PolarHBondContact O-N 2.97Å; V362-L364 HydrophobicContact CB-CD2 4.23Å; V362-L364 HydrophobicContact CG1-CD2 3.59Å; V362-L364 HydrophobicContact CG1-CG 4.43Å; V362-L364 WeakPolarHBondContact O-CG 3.29Å; V362-L364 PolarHBondContact O-N 2.98Å; V362-K391 HydrophobicContact CG1-CD 4.22Å |
| 363 | D | 72.6 | Confident | 81.7 | Confident | 91 Ų | 91 | 38.4 Ų | 38.4 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | trans | -65.2 | 96.9 | 170.3 | -175.9 | 7.8 | 0 | 0 | 0 | 109.5 | G365 | D363-G365 WeakPolarHBondContact OD1-CA 3.38Å; D363-G365 PolarHBondContact OD1-N 3.46Å | ||
| 364 | L | 86.8 | Confident | 81.7 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | trans | -82.2 | -6.1 | 174.2 | -55.9 | 179.5 | 0 | 0 | 0 | 112.1 | V362 L390 K391 I464 L498 E500 | V362-L364 HydrophobicContact CB-CD2 4.23Å; V362-L364 HydrophobicContact CG1-CD2 3.59Å; V362-L364 HydrophobicContact CG1-CG 4.43Å; V362-L364 WeakPolarHBondContact O-CG 3.29Å; V362-L364 PolarHBondContact O-N 2.98Å; L364-L390 WeakPolarHBondContact O-CA 3.23Å; L364-K391 HydrophobicContact CD2-CB 4.45Å; L364-K391 HydrophobicContact CD2-CD 3.53Å; L364-K391 PolarHBondContact O-N 2.94Å; L364-I464 WeakPolarHBondContact CD1-O 3.41Å; L364-L498 HydrophobicContact CB-CB 3.83Å; L364-E500 HydrophobicContact CD1-CB 4.43Å; L364-E500 HydrophobicContact CD1-CG 3.68Å; L364-E500 HydrophobicContact CD2-CG 4.42Å | ||
| 365 | G | 88.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | 92.2 | -178.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D363 R388 N389 L498 | D363-G365 WeakPolarHBondContact OD1-CA 3.38Å; D363-G365 PolarHBondContact OD1-N 3.46Å; G365-R388 VanDerWaalsContact CA-O 3.27Å; G365-R388 WeakPolarHBondContact CA-O 3.43Å; G365-N389 WeakPolarHBondContact CA-O 3.21Å; G365-N389 PolarHBondContact N-O 3.11Å; G365-L498 VanDerWaalsContact O-CB 3.29Å; G365-L498 WeakPolarHBondContact O-CB 3.44Å; G365-L498 WeakPolarHBondContact O-CG 3.48Å; G365-L498 PolarHBondContact O-N 3Å | ||
| 366 | E | 90.2 | Very high | 81.8 | Confident | 48 Ų | 48 | 41 Ų | 41 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.7 | -178.9 | -65.8 | 165.7 | 91.5 | 0 | 0 | 110.8 | C387 R388 W495 H496 | E366-C387 CarbonylContact O-C 3.51Å; E366-C387 WeakPolarHBondContact O-CA 3.4Å; E366-C387 WeakPolarHBondContact O-CB 3.49Å; E366-R388 HydrophobicContact CB-CG 4.21Å; E366-R388 PolarHBondContact N-O 2.77Å; E366-R388 PolarHBondContact O-N 2.88Å; E366-R388 IonicContact OE1-CZ 3.51Å; E366-R388 IonicContact OE1-NE 2.81Å; E366-R388 IonicContact OE1-NH2 3.78Å; E366-R388 PolarHBondContact OE1-NH2 3.43Å; E366-R388 IonicContact OE2-CZ 2.73Å; E366-R388 IonicContact OE2-NE 3.96Å; E366-R388 PolarHBondContact OE2-NE 2.8Å; E366-R388 IonicContact OE2-NH2 3.82Å; E366-R388 PolarHBondContact OE2-NH2 3.45Å; E366-W495 HydrophobicContact CB-CE3 3.8Å; E366-W495 HydrophobicContact CB-CZ3 4.15Å; E366-H496 WeakPolarHBondContact CA-O 3.43Å |
| 367 | I | 96.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135 | 174.6 | -175.1 | 169.9 | 0 | 0 | 0 | 110.8 | F369 V384 V403 I450 V452 H496 L498 | I367-F369 HydrophobicContact CG1-CD1 4.26Å; I367-F369 HydrophobicContact CG2-CD1 4.2Å; I367-F369 HydrophobicContact CG2-CE1 4.25Å; I367-V384 HydrophobicContact CD1-CG1 4.29Å; I367-V403 HydrophobicContact CD1-CG1 3.85Å; I367-V403 HydrophobicContact CD1-CG2 3.87Å; I367-I450 HydrophobicContact CD1-CG2 3.92Å; I367-V452 HydrophobicContact CD1-CG2 4.03Å; I367-H496 HydrophobicContact CG2-CB 4.1Å; I367-H496 PolarHBondContact N-O 3.35Å; I367-H496 PolarHBondContact O-N 3.17Å; I367-L498 HydrophobicContact CB-CD2 4.21Å; I367-L498 HydrophobicContact CG2-CD2 3.68Å; I367-L498 HydrophobicContact CG2-CG 4.45Å |
| 368 | M | 96.8 | Very high | 83.8 | Confident | 29 Ų | 29 | 42 Ų | 42 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.9 | 168.2 | -176.3 | -167.8 | -72.3 | 0 | 0 | 109.4 | I385 K386 T493 H494 W495 | M368-I385 HydrophobicContact CB-CB 4.42Å; M368-I385 HydrophobicContact CG-CB 4.16Å; M368-I385 HydrophobicContact CG-CD1 4.06Å; M368-I385 PolarHBondContact O-N 2.8Å; M368-I385 HydrophobicContact SD-CB 4.04Å; M368-I385 HydrophobicContact SD-CD1 3.86Å; M368-I385 HydrophobicContact SD-CG2 3.8Å; M368-K386 HydrophobicContact CB-CG 4.14Å; M368-K386 PolarHBondContact N-O 2.79Å; M368-K386 PolarHBondContact O-N 2.89Å; M368-K386 HydrophobicContact SD-CG 4.48Å; M368-T493 HydrophobicContact CG-CG2 3.77Å; M368-T493 HydrophobicContact SD-CG2 3.93Å; M368-H494 WeakPolarHBondContact CA-O 3.5Å; M368-W495 HydrophobicContact CB-CD2 3.95Å; M368-W495 HydrophobicContact CB-CE3 3.69Å; M368-W495 HydrophobicContact CB-CH2 4.15Å; M368-W495 HydrophobicContact CB-CZ2 4.41Å; M368-W495 HydrophobicContact CB-CZ3 3.78Å; M368-W495 HydrophobicContact CE-CD2 4.03Å; M368-W495 HydrophobicContact CE-CG 4.48Å; M368-W495 HydrophobicContact CE-CH2 4.26Å; M368-W495 HydrophobicContact CE-CZ2 3.5Å; M368-W495 VanDerWaalsContact CE-CZ2 3.5Å |
| 369 | F | 98.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 157.2 | 170.6 | 60.4 | -85.8 | 0 | 0 | 0 | 110.8 | I367 L371 L382 T383 I450 T469 H480 H494 H496 | I367-F369 HydrophobicContact CG1-CD1 4.26Å; I367-F369 HydrophobicContact CG2-CD1 4.2Å; I367-F369 HydrophobicContact CG2-CE1 4.25Å; F369-L371 HydrophobicContact CD2-CD2 4.1Å; F369-L371 HydrophobicContact CD2-CG 4.07Å; F369-L371 HydrophobicContact CE2-CD1 4.14Å; F369-L371 HydrophobicContact CE2-CD2 4.06Å; F369-L371 HydrophobicContact CE2-CG 3.88Å; F369-L382 HydrophobicContact CB-CD2 4.03Å; F369-L382 HydrophobicContact CB-CG 4.38Å; F369-L382 HydrophobicContact CD2-CD1 3.91Å; F369-L382 HydrophobicContact CD2-CD2 4.44Å; F369-L382 HydrophobicContact CD2-CG 3.94Å; F369-L382 HydrophobicContact CE2-CD1 4.28Å; F369-L382 HydrophobicContact CG-CD2 4.45Å; F369-L382 HydrophobicContact CG-CG 4.44Å; F369-T383 CarbonylContact C-O 3.58Å; F369-T383 WeakPolarHBondContact CA-O 3.48Å; F369-T383 VanDerWaalsContact CB-O 3.25Å; F369-T383 WeakPolarHBondContact CB-O 3.2Å; F369-I450 HydrophobicContact CD1-CD1 4.24Å; F369-I450 HydrophobicContact CD2-CD1 4.25Å; F369-I450 HydrophobicContact CE1-CD1 3.72Å; F369-I450 HydrophobicContact CE2-CD1 3.73Å; F369-I450 HydrophobicContact CG-CD1 4.48Å; F369-I450 HydrophobicContact CZ-CD1 3.46Å; F369-I450 VanDerWaalsContact CZ-CD1 3.46Å; F369-T469 HydrophobicContact CE2-CG2 3.9Å; F369-T469 HydrophobicContact CZ-CG2 3.58Å; F369-H480 AromaticContact CD2-CE1 3.7Å; F369-H480 AromaticContact CE2-CE1 3.4Å; F369-H480 WeakPolarHBondContact CE2-CE1 3.41Å; F369-H480 AromaticContact CE2-ND1 3.44Å; F369-H480 WeakPolarHBondContact CE2-ND1 3.39Å; F369-H480 AromaticContact CZ-ND1 3.75Å; F369-H480 PolarHBondContact O-CE1 3.12Å; F369-H494 PolarHBondContact N-O 3.04Å; F369-H494 PolarHBondContact O-N 3.16Å; F369-H496 HydrophobicContact CE1-CB 3.94Å; F369-H496 AromaticContact CE1-CD2 3.37Å; F369-H496 WeakPolarHBondContact CE1-CD2 3.22Å; F369-H496 AromaticContact CE1-CG 3.55Å; F369-H496 AromaticContact CZ-CD2 3.51Å; F369-H496 AromaticContact CZ-CG 3.8Å; F369-H496 AromaticContact CZ-NE2 3.72Å |
| 370 | S | 98.1 | Very high | 87.7 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.8 | 173.3 | 76.6 | 0 | 0 | 0 | 0 | 111.8 | L382 T383 I492 T493 | S370-L382 CarbonylContact O-C 3.24Å; S370-L382 VanDerWaalsContact O-CA 3.31Å; S370-L382 WeakPolarHBondContact O-CA 3.33Å; S370-T383 PolarHBondContact N-O 3.39Å; S370-T383 PolarHBondContact O-N 3.16Å; S370-T383 WeakPolarHBondContact OG-CB 3.4Å; S370-T383 PolarHBondContact OG-OG1 2.64Å; S370-I492 CarbonylContact C-O 3.57Å; S370-I492 WeakPolarHBondContact CA-O 3.45Å; S370-I492 VanDerWaalsContact CB-O 3.22Å; S370-I492 WeakPolarHBondContact CB-O 3.47Å; S370-T493 WeakPolarHBondContact CB-OG1 3.38Å |
| 371 | L | 97.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.6 | 170.5 | -65.6 | 179 | 0 | 0 | 0 | 111.2 | F369 L382 L448 T469 W481 M484 P491 I492 | F369-L371 HydrophobicContact CD2-CD2 4.1Å; F369-L371 HydrophobicContact CD2-CG 4.07Å; F369-L371 HydrophobicContact CE2-CD1 4.14Å; F369-L371 HydrophobicContact CE2-CD2 4.06Å; F369-L371 HydrophobicContact CE2-CG 3.88Å; L371-L382 HydrophobicContact CD2-CB 3.93Å; L371-L382 HydrophobicContact CD2-CD1 3.81Å; L371-L382 HydrophobicContact CD2-CG 3.86Å; L371-L448 HydrophobicContact CD2-CD1 3.94Å; L371-T469 HydrophobicContact CD1-CG2 4.36Å; L371-W481 HydrophobicContact CD1-CE3 4.16Å; L371-M484 HydrophobicContact CB-CB 4.11Å; L371-M484 HydrophobicContact CB-CG 3.85Å; L371-M484 HydrophobicContact CB-SD 3.61Å; L371-M484 HydrophobicContact CD1-SD 4.05Å; L371-M484 HydrophobicContact CG-SD 4.34Å; L371-P491 WeakPolarHBondContact O-CA 3.28Å; L371-I492 PolarHBondContact N-O 3.24Å; L371-I492 PolarHBondContact O-N 3.4Å |
| 372 | C | 97 | Very high | 92.3 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 121.9 | 174.2 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | T381 R489 P491 | C372-T381 PolarHBondContact N-O 2.94Å; C372-T381 PolarHBondContact O-N 3.36Å; C372-R489 VanDerWaalsContact SG-C 3.55Å; C372-P491 HydrophobicContact CB-CB 4.27Å |
| 373 | Y | 96.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.4 | 177.1 | -169 | -124 | 0 | 0 | 0 | 112.6 | P375 R379 M380 I438 P440 V443 L485 R489 | Y373-P375 HydrophobicContact CD1-CB 4.44Å; Y373-P375 HydrophobicContact CD1-CG 3.71Å; Y373-P375 HydrophobicContact CE1-CB 3.87Å; Y373-P375 HydrophobicContact CE1-CG 3.63Å; Y373-R379 VanDerWaalsContact CD2-O 3.3Å; Y373-R379 WeakPolarHBondContact CD2-O 3.11Å; Y373-M380 HydrophobicContact CD2-CB 4.13Å; Y373-M380 HydrophobicContact CD2-CE 3.47Å; Y373-M380 VanDerWaalsContact CD2-CE 3.47Å; Y373-M380 HydrophobicContact CD2-SD 3.97Å; Y373-M380 HydrophobicContact CE2-CE 4.29Å; Y373-M380 HydrophobicContact CG-CE 3.81Å; Y373-M380 HydrophobicContact CG-SD 4.35Å; Y373-I438 HydrophobicContact CE2-CB 4.43Å; Y373-I438 WeakPolarHBondContact CE2-O 3.22Å; Y373-I438 PolarHBondContact OH-O 3.47Å; Y373-P440 VanDerWaalsContact OH-CA 3.28Å; Y373-P440 WeakPolarHBondContact OH-CA 3.17Å; Y373-V443 HydrophobicContact CD1-CG2 4.3Å; Y373-V443 HydrophobicContact CD2-CG2 4.39Å; Y373-V443 HydrophobicContact CE1-CG2 3.87Å; Y373-V443 HydrophobicContact CE2-CG2 3.98Å; Y373-L485 HydrophobicContact CD1-CD2 4.19Å; Y373-R489 PolarHBondContact O-N 2.83Å |
| 374 | L | 95.9 | Very high | 95.2 | Very high | 57 Ų | 57 | 26.8 Ų | 26.8 | 30% | 0.298 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 92.5 | 173.4 | -80.6 | 72 | 0 | 0 | 0 | 109 | T376 A377 G378 R379 R489 | L374-T376 VanDerWaalsContact C-N 3.3Å; L374-T376 PolarHBondContact O-N 2.89Å; L374-A377 HydrophobicContact CB-CB 4.38Å; L374-A377 PolarHBondContact O-N 3.47Å; L374-A377 VanDerWaalsContact O-N 3.14Å; L374-G378 PolarHBondContact O-N 3.46Å; L374-G378 VanDerWaalsContact O-N 3.15Å; L374-R379 PolarHBondContact N-O 3.22Å; L374-R379 PolarHBondContact O-N 3.3Å; L374-R379 VanDerWaalsContact O-N 3.15Å; L374-R489 HydrophobicContact CG-CG 4.31Å |
| 375 | P | 93.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 23% | 0.234 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -57.3 | -41.6 | -178.9 | -22.3 | 28.5 | 0 | 0 | 0 | 113 | Y373 A377 G378 H488 | Y373-P375 HydrophobicContact CD1-CB 4.44Å; Y373-P375 HydrophobicContact CD1-CG 3.71Å; Y373-P375 HydrophobicContact CE1-CB 3.87Å; Y373-P375 HydrophobicContact CE1-CG 3.63Å; P375-A377 PolarHBondContact O-N 3.38Å; P375-A377 VanDerWaalsContact O-N 3.09Å; P375-G378 PolarHBondContact O-N 3.19Å; P375-H488 WeakPolarHBondContact CG-CD2 3.45Å |
| 376 | T | 93.1 | Very high | 96 | Very high | 118 Ų | 118 | 32 Ų | 32 | 72% | 0.724 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -58.2 | -25.6 | -179.2 | -40.8 | 0 | 0 | 0 | 0 | 113.5 | L374 R489 | L374-T376 VanDerWaalsContact C-N 3.3Å; L374-T376 PolarHBondContact O-N 2.89Å; T376-R489 PolarHBondContact OG1-NH2 3.09Å |
| 377 | A | 93.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -110.3 | 3.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L374 P375 R379 | L374-A377 HydrophobicContact CB-CB 4.38Å; L374-A377 PolarHBondContact O-N 3.47Å; L374-A377 VanDerWaalsContact O-N 3.14Å; P375-A377 PolarHBondContact O-N 3.38Å; P375-A377 VanDerWaalsContact O-N 3.09Å; A377-R379 HydrophobicContact CB-CB 4.15Å; A377-R379 PolarHBondContact O-N 2.77Å |
| 378 | G | 94.6 | Very high | 96 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L374 P375 D437 I438 | L374-G378 PolarHBondContact O-N 3.46Å; L374-G378 VanDerWaalsContact O-N 3.15Å; P375-G378 PolarHBondContact O-N 3.19Å; G378-D437 CarbonylContact O-C 3.49Å; G378-D437 VanDerWaalsContact O-CA 3.32Å; G378-D437 WeakPolarHBondContact O-CA 3.5Å; G378-I438 CarbonylContact C-O 3.57Å; G378-I438 VanDerWaalsContact CA-O 3.23Å; G378-I438 WeakPolarHBondContact CA-O 3.48Å; G378-I438 CarbonylContact O-C 3.5Å; G378-I438 PolarHBondContact O-N 2.85Å; G378-I438 VanDerWaalsContact O-O 3.11Å |
| 379 | R | 95 | Very high | 95.5 | Very high | 111 Ų | 111 | 37 Ų | 37 | 42% | 0.419 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.2 | -169.2 | -173.3 | 176.9 | -68.9 | 164.6 | 3.2 | 112.7 | Y373 L374 A377 I435 | Y373-R379 VanDerWaalsContact CD2-O 3.3Å; Y373-R379 WeakPolarHBondContact CD2-O 3.11Å; L374-R379 PolarHBondContact N-O 3.22Å; L374-R379 PolarHBondContact O-N 3.3Å; L374-R379 VanDerWaalsContact O-N 3.15Å; A377-R379 HydrophobicContact CB-CB 4.15Å; A377-R379 PolarHBondContact O-N 2.77Å; R379-I435 HydrophobicContact CG-CG2 3.61Å |
| 380 | M | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.4 | 171.4 | -172.9 | 63.4 | 77.9 | 0 | 0 | 110.3 | Y373 I435 F436 I438 V443 W481 M484 | Y373-M380 HydrophobicContact CD2-CB 4.13Å; Y373-M380 HydrophobicContact CD2-CE 3.47Å; Y373-M380 VanDerWaalsContact CD2-CE 3.47Å; Y373-M380 HydrophobicContact CD2-SD 3.97Å; Y373-M380 HydrophobicContact CE2-CE 4.29Å; Y373-M380 HydrophobicContact CG-CE 3.81Å; Y373-M380 HydrophobicContact CG-SD 4.35Å; M380-I435 WeakPolarHBondContact O-CA 3.07Å; M380-F436 HydrophobicContact CB-CB 4.43Å; M380-F436 PolarHBondContact N-O 2.79Å; M380-F436 PolarHBondContact O-N 2.85Å; M380-I438 HydrophobicContact CB-CD1 3.62Å; M380-I438 HydrophobicContact CB-CG1 4.15Å; M380-I438 HydrophobicContact CG-CD1 4.08Å; M380-V443 HydrophobicContact CE-CG2 4.35Å; M380-W481 HydrophobicContact CE-CH2 3.78Å; M380-W481 HydrophobicContact CE-CZ2 4.25Å; M380-W481 HydrophobicContact CE-CZ3 4.13Å; M380-M484 HydrophobicContact CE-CE 3.48Å; M380-M484 VanDerWaalsContact CE-CE 3.48Å; M380-M484 HydrophobicContact CE-SD 3.41Å; M380-M484 WeakPolarHBondContact CE-SD 3.21Å; M380-M484 HydrophobicContact SD-CE 4.25Å; M380-M484 HydrophobicContact SD-SD 3.32Å |
| 381 | T | 97.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 39.5 Ų | 39.5 | 17% | 0.172 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120 | 173.2 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | C372 A433 I435 | C372-T381 PolarHBondContact N-O 2.94Å; C372-T381 PolarHBondContact O-N 3.36Å; T381-A433 HydrophobicContact CG2-CB 4.15Å; T381-I435 HydrophobicContact CG2-CG1 4.25Å |
| 382 | L | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 115 | 168.4 | -176.7 | 159.7 | 0 | 0 | 0 | 108.6 | F369 S370 L371 V384 V405 I434 L448 I450 | F369-L382 HydrophobicContact CB-CD2 4.03Å; F369-L382 HydrophobicContact CB-CG 4.38Å; F369-L382 HydrophobicContact CD2-CD1 3.91Å; F369-L382 HydrophobicContact CD2-CD2 4.44Å; F369-L382 HydrophobicContact CD2-CG 3.94Å; F369-L382 HydrophobicContact CE2-CD1 4.28Å; F369-L382 HydrophobicContact CG-CD2 4.45Å; F369-L382 HydrophobicContact CG-CG 4.44Å; S370-L382 CarbonylContact O-C 3.24Å; S370-L382 VanDerWaalsContact O-CA 3.31Å; S370-L382 WeakPolarHBondContact O-CA 3.33Å; L371-L382 HydrophobicContact CD2-CB 3.93Å; L371-L382 HydrophobicContact CD2-CD1 3.81Å; L371-L382 HydrophobicContact CD2-CG 3.86Å; L382-V384 HydrophobicContact CD2-CG2 3.49Å; L382-V384 VanDerWaalsContact CD2-CG2 3.49Å; L382-V405 HydrophobicContact CD1-CG1 4.08Å; L382-V405 HydrophobicContact CD1-CG2 4.39Å; L382-V405 HydrophobicContact CD2-CG2 4.17Å; L382-I434 PolarHBondContact N-O 3.18Å; L382-I434 PolarHBondContact O-N 3.25Å; L382-L448 HydrophobicContact CD1-CD1 3.85Å; L382-I450 HydrophobicContact CD1-CD1 3.68Å; L382-I450 HydrophobicContact CD1-CG1 3.99Å |
| 383 | T | 98.3 | Very high | 93 | Very high | 35 Ų | 35 | 42 Ų | 42 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 113.7 | 173.5 | -44.7 | 0 | 0 | 0 | 0 | 109.5 | F369 S370 I385 E432 | F369-T383 CarbonylContact C-O 3.58Å; F369-T383 WeakPolarHBondContact CA-O 3.48Å; F369-T383 VanDerWaalsContact CB-O 3.25Å; F369-T383 WeakPolarHBondContact CB-O 3.2Å; S370-T383 PolarHBondContact N-O 3.39Å; S370-T383 PolarHBondContact O-N 3.16Å; S370-T383 WeakPolarHBondContact OG-CB 3.4Å; S370-T383 PolarHBondContact OG-OG1 2.64Å; T383-I385 HydrophobicContact CG2-CG1 4.46Å; T383-I385 PolarHBondContact O-N 2.91Å; T383-E432 CarbonylContact C-O 3.57Å; T383-E432 WeakPolarHBondContact CA-O 3.4Å |
| 384 | V | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115.1 | 171.3 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | I367 L382 V403 T419 Y430 N431 E432 I434 | I367-V384 HydrophobicContact CD1-CG1 4.29Å; L382-V384 HydrophobicContact CD2-CG2 3.49Å; L382-V384 VanDerWaalsContact CD2-CG2 3.49Å; V384-V403 HydrophobicContact CG1-CB 4.15Å; V384-V403 HydrophobicContact CG1-CG1 4.44Å; V384-V403 HydrophobicContact CG1-CG2 3.78Å; V384-V403 HydrophobicContact CG2-CB 4.32Å; V384-V403 HydrophobicContact CG2-CG1 4.11Å; V384-T419 HydrophobicContact CB-CG2 3.93Å; V384-T419 HydrophobicContact CG1-CG2 4.19Å; V384-T419 HydrophobicContact CG2-CG2 3.81Å; V384-Y430 HydrophobicContact CG1-CD2 3.53Å; V384-Y430 HydrophobicContact CG1-CE2 4.17Å; V384-Y430 HydrophobicContact CG1-CG 3.91Å; V384-N431 CarbonylContact O-C 3.54Å; V384-N431 VanDerWaalsContact O-CA 3.24Å; V384-N431 WeakPolarHBondContact O-CA 3.4Å; V384-N431 PolarHBondContact O-N 2.73Å; V384-E432 PolarHBondContact N-O 2.89Å; V384-E432 PolarHBondContact O-N 2.81Å; V384-I434 HydrophobicContact CG2-CD1 4.22Å |
| 385 | I | 97.7 | Very high | 90.9 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -64.4 | -174.5 | -59.8 | 174.5 | 0 | 0 | 0 | 109.3 | M368 T383 Y430 N431 T493 | M368-I385 HydrophobicContact CB-CB 4.42Å; M368-I385 HydrophobicContact CG-CB 4.16Å; M368-I385 HydrophobicContact CG-CD1 4.06Å; M368-I385 PolarHBondContact O-N 2.8Å; M368-I385 HydrophobicContact SD-CB 4.04Å; M368-I385 HydrophobicContact SD-CD1 3.86Å; M368-I385 HydrophobicContact SD-CG2 3.8Å; T383-I385 HydrophobicContact CG2-CG1 4.46Å; T383-I385 PolarHBondContact O-N 2.91Å; I385-Y430 PolarHBondContact O-N 2.87Å; I385-N431 PolarHBondContact O-N 2.86Å; I385-N431 VanDerWaalsContact O-N 3.16Å; I385-T493 HydrophobicContact CD1-CG2 3.56Å |
| 386 | K | 95.3 | Very high | 89.8 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 162 | -177.7 | 61.5 | -175.3 | 175.6 | -178.9 | 0 | 111.8 | M368 P428 V429 W495 | M368-K386 HydrophobicContact CB-CG 4.14Å; M368-K386 PolarHBondContact N-O 2.79Å; M368-K386 PolarHBondContact O-N 2.89Å; M368-K386 HydrophobicContact SD-CG 4.48Å; K386-P428 CarbonylContact C-O 3.51Å; K386-P428 WeakPolarHBondContact CA-O 3.4Å; K386-P428 WeakPolarHBondContact CB-O 3.38Å; K386-V429 HydrophobicContact CB-CB 4.37Å; K386-V429 HydrophobicContact CB-CG1 4.47Å; K386-V429 HydrophobicContact CB-CG2 4Å; K386-W495 HydrophobicContact CD-CH2 4.29Å; K386-W495 HydrophobicContact CG-CH2 4.04Å |
| 387 | C | 95.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 161.6 | 162.3 | -49.9 | 0 | 0 | 0 | 0 | 110.4 | E366 L390 N427 P428 | E366-C387 CarbonylContact O-C 3.51Å; E366-C387 WeakPolarHBondContact O-CA 3.4Å; E366-C387 WeakPolarHBondContact O-CB 3.49Å; C387-L390 HydrophobicContact CB-CD1 3.87Å; C387-L390 HydrophobicContact CB-CD2 3.7Å; C387-L390 HydrophobicContact CB-CG 3.8Å; C387-N427 CarbonylContact O-C 3.51Å; C387-N427 WeakPolarHBondContact O-CA 3.48Å; C387-P428 HydrophobicContact CB-CG 3.84Å; C387-P428 PolarHBondContact N-O 2.86Å |
| 388 | R | 89.1 | Confident | 88.4 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157.2 | 168.8 | 67.9 | -178.7 | 177.3 | -169.8 | -3.9 | 111.2 | G365 E366 L390 N427 W495 | G365-R388 VanDerWaalsContact CA-O 3.27Å; G365-R388 WeakPolarHBondContact CA-O 3.43Å; E366-R388 HydrophobicContact CB-CG 4.21Å; E366-R388 PolarHBondContact N-O 2.77Å; E366-R388 PolarHBondContact O-N 2.88Å; E366-R388 IonicContact OE1-CZ 3.51Å; E366-R388 IonicContact OE1-NE 2.81Å; E366-R388 IonicContact OE1-NH2 3.78Å; E366-R388 PolarHBondContact OE1-NH2 3.43Å; E366-R388 IonicContact OE2-CZ 2.73Å; E366-R388 IonicContact OE2-NE 3.96Å; E366-R388 PolarHBondContact OE2-NE 2.8Å; E366-R388 IonicContact OE2-NH2 3.82Å; E366-R388 PolarHBondContact OE2-NH2 3.45Å; R388-L390 PolarHBondContact O-N 3.41Å; R388-L390 VanDerWaalsContact O-N 3.14Å; R388-N427 WeakPolarHBondContact CA-OD1 3.35Å; R388-N427 WeakPolarHBondContact CB-OD1 3.46Å; R388-W495 HydrophobicContact CB-CH2 4.09Å; R388-W495 HydrophobicContact CB-CZ3 4.37Å; R388-W495 HydrophobicContact CG-CH2 3.64Å; R388-W495 HydrophobicContact CG-CZ2 4.44Å; R388-W495 HydrophobicContact CG-CZ3 3.7Å |
| 389 | N | 86.3 | Confident | 88.2 | Confident | 87 Ų | 87 | 47.2 Ų | 47.2 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 52.4 | 30.5 | 176.4 | -65.3 | 12.8 | 0 | 0 | 0 | 114.8 | G365 K391 L426 N427 | G365-N389 WeakPolarHBondContact CA-O 3.21Å; G365-N389 PolarHBondContact N-O 3.11Å; N389-K391 PolarHBondContact O-N 2.03Å; N389-L426 PolarHBondContact N-O 3.42Å; N389-N427 PolarHBondContact N-OD1 3.4Å |
| 390 | L | 88.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 142.6 | 179.9 | -64.5 | -177.6 | 0 | 0 | 0 | 111.2 | L364 C387 R388 A392 P401 L426 P428 V452 I464 L498 | L364-L390 WeakPolarHBondContact O-CA 3.23Å; C387-L390 HydrophobicContact CB-CD1 3.87Å; C387-L390 HydrophobicContact CB-CD2 3.7Å; C387-L390 HydrophobicContact CB-CG 3.8Å; R388-L390 PolarHBondContact O-N 3.41Å; R388-L390 VanDerWaalsContact O-N 3.14Å; L390-A392 PolarHBondContact O-N 2.79Å; L390-P401 HydrophobicContact CD1-CB 3.73Å; L390-P401 HydrophobicContact CD1-CG 3.98Å; L390-L426 HydrophobicContact CB-CB 4.34Å; L390-L426 WeakPolarHBondContact CB-O 3.47Å; L390-L426 WeakPolarHBondContact CG-O 3.09Å; L390-L426 PolarHBondContact N-O 3.44Å; L390-L426 WeakPolarHBondContact O-CD2 3.18Å; L390-P428 HydrophobicContact CD1-CG 3.73Å; L390-V452 HydrophobicContact CD1-CG1 3.95Å; L390-V452 HydrophobicContact CD2-CG1 4.05Å; L390-I464 HydrophobicContact CB-CG2 4.46Å; L390-I464 HydrophobicContact CD1-CD1 4.42Å; L390-I464 HydrophobicContact CD2-CG2 4.26Å; L390-L498 HydrophobicContact CD2-CD1 3.44Å; L390-L498 VanDerWaalsContact CD2-CD1 3.44Å |
| 391 | K | 84.9 | Confident | 88.2 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 127.7 | 171.8 | 177.8 | 170.3 | 176.3 | 177.4 | 0 | 110.1 | V362 L364 N389 M393 S399 I464 E500 | V362-K391 HydrophobicContact CG1-CD 4.22Å; L364-K391 HydrophobicContact CD2-CB 4.45Å; L364-K391 HydrophobicContact CD2-CD 3.53Å; L364-K391 PolarHBondContact O-N 2.94Å; N389-K391 PolarHBondContact O-N 2.03Å; K391-M393 HydrophobicContact CD-SD 4.31Å; K391-M393 HydrophobicContact CG-SD 4.17Å; K391-S399 PolarHBondContact O-OG 3.38Å; K391-I464 HydrophobicContact CB-CG2 4.28Å; K391-E500 IonicContact NZ-OE1 2.74Å |
| 392 | A | 84.6 | Confident | 88.2 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 128.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L390 S398 L426 | L390-A392 PolarHBondContact O-N 2.79Å; A392-S398 WeakPolarHBondContact CA-O 3.32Å; A392-L426 HydrophobicContact CB-CD1 4.17Å; A392-L426 HydrophobicContact CB-CD2 4.13Å |
| 393 | M | 81.6 | Confident | 88.2 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | trans | -118.3 | -34.3 | -175.5 | -64.7 | -73 | -83.1 | 0 | 0 | 110.8 | R326 K391 S398 S399 D454 E462 V463 I464 | R326-M393 PolarHBondContact NH1-SD 3.4Å; R326-M393 PolarHBondContact NH2-SD 3.03Å; K391-M393 HydrophobicContact CD-SD 4.31Å; K391-M393 HydrophobicContact CG-SD 4.17Å; M393-S398 PolarHBondContact N-O 2.77Å; M393-S399 PolarHBondContact N-OG 3.05Å; M393-D454 HydrophobicContact CB-CB 4.25Å; M393-D454 WeakPolarHBondContact CB-OD2 3.18Å; M393-D454 HydrophobicContact CG-CB 4.37Å; M393-E462 HydrophobicContact CE-CB 3.37Å; M393-E462 HydrophobicContact CE-CG 4.29Å; M393-V463 WeakPolarHBondContact CE-O 3.3Å; M393-I464 HydrophobicContact CG-CG1 3.79Å | ||
| 394 | D | 76.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -66.8 | 148.2 | 171 | -76.9 | -57.4 | 0 | 0 | 0 | 112.3 | T396 G397 S398 S399 | D394-T396 WeakPolarHBondContact CB-OG1 3.47Å; D394-T396 PolarHBondContact O-N 3.47Å; D394-G397 PolarHBondContact O-N 3Å; D394-S398 WeakPolarHBondContact CB-O 3.05Å; D394-S398 PolarHBondContact N-O 3.44Å; D394-S399 WeakPolarHBondContact OD2-CA 3.43Å |
| 395 | I | 70.3 | Confident | 88.1 | Confident | 185 Ų | 185 | 43.3 Ų | 43.3 | 95% | 0.949 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.5 | 168.4 | -57.1 | 173 | 0 | 0 | 0 | 111.8 | G397 | I395-G397 PolarHBondContact O-N 3.42Š|
| 396 | T | 71.8 | Confident | 88.1 | Confident | 100 Ų | 100 | 42 Ų | 42 | 61% | 0.613 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10.7 | 176.4 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | D394 S398 | D394-T396 WeakPolarHBondContact CB-OG1 3.47Å; D394-T396 PolarHBondContact O-N 3.47Å; T396-S398 PolarHBondContact OG1-N 3.01Å |
| 397 | G | 73.5 | Confident | 88.1 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 79.6 | 23 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | D394 I395 | D394-G397 PolarHBondContact O-N 3Å; I395-G397 PolarHBondContact O-N 3.42Å |
| 398 | S | 83.3 | Confident | 88 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | trans | -132.8 | -164.6 | 175.4 | -144.1 | 0 | 0 | 0 | 0 | 111.3 | A392 M393 D394 T396 N424 T425 | A392-S398 WeakPolarHBondContact CA-O 3.32Å; M393-S398 PolarHBondContact N-O 2.77Å; D394-S398 WeakPolarHBondContact CB-O 3.05Å; D394-S398 PolarHBondContact N-O 3.44Å; T396-S398 PolarHBondContact OG1-N 3.01Å; S398-N424 WeakPolarHBondContact CB-OD1 3.45Å; S398-N424 WeakPolarHBondContact OG-CA 3.49Å; S398-N424 PolarHBondContact OG-O 3.38Å; S398-T425 PolarHBondContact OG-N 3.42Å | ||
| 399 | S | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -150 | 158.2 | 169.6 | -44.9 | 0 | 0 | 0 | 0 | 108.7 | K391 M393 D394 P401 N424 T425 L426 D454 | K391-S399 PolarHBondContact O-OG 3.38Å; M393-S399 PolarHBondContact N-OG 3.05Å; D394-S399 WeakPolarHBondContact OD2-CA 3.43Å; S399-P401 WeakPolarHBondContact O-CD 3.48Å; S399-N424 CarbonylContact O-C 3.49Å; S399-N424 VanDerWaalsContact O-CA 3.24Å; S399-N424 WeakPolarHBondContact O-CA 3.39Å; S399-N424 PolarHBondContact O-N 2.87Å; S399-N424 VanDerWaalsContact O-N 3.08Å; S399-T425 PolarHBondContact O-N 3Å; S399-L426 WeakPolarHBondContact OG-CD2 3.06Å; S399-D454 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 400 | D | 93.9 | Very high | 88 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | trans | -101.6 | 67.5 | 167.5 | -85.2 | 5.7 | 0 | 0 | 0 | 109.8 | T421 K422 K423 N424 D454 Y455 R457 | D400-T421 HydrophobicContact CB-CG2 4.22Å; D400-T421 VanDerWaalsContact O-CG2 3.22Å; D400-T421 WeakPolarHBondContact O-CG2 3.22Å; D400-K422 CarbonylContact C-O 3.53Å; D400-K422 WeakPolarHBondContact CA-O 3.37Å; D400-K423 WeakPolarHBondContact OD1-CA 3.42Å; D400-K423 VanDerWaalsContact OD1-CB 3.32Å; D400-K423 WeakPolarHBondContact OD1-CB 3.32Å; D400-N424 PolarHBondContact OD1-N 3.03Å; D400-D454 WeakPolarHBondContact CA-OD1 3.45Å; D400-D454 PolarHBondContact N-OD1 2.98Å; D400-Y455 VanDerWaalsContact O-CB 3.32Å; D400-Y455 WeakPolarHBondContact O-CB 3.42Å; D400-Y455 PolarHBondContact O-N 3.07Å; D400-Y455 VanDerWaalsContact O-N 3.14Å; D400-R457 IonicContact OD2-NH2 3.23Å | ||
| 401 | P | 96.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -71.6 | 147.2 | -166.9 | 31.1 | -40.2 | 0 | 0 | 0 | 115.4 | L390 S399 T421 K422 T425 P428 Y430 V452 M453 I464 | L390-P401 HydrophobicContact CD1-CB 3.73Å; L390-P401 HydrophobicContact CD1-CG 3.98Å; S399-P401 WeakPolarHBondContact O-CD 3.48Å; P401-T421 WeakPolarHBondContact O-CA 3.35Å; P401-K422 WeakPolarHBondContact CD-O 3.44Å; P401-K422 VanDerWaalsContact N-O 3.11Å; P401-K422 PolarHBondContact O-N 2.91Å; P401-T425 VanDerWaalsContact CD-O 3.3Å; P401-T425 WeakPolarHBondContact CD-O 3.31Å; P401-T425 HydrophobicContact CG-CG2 4.18Å; P401-T425 VanDerWaalsContact CG-O 3.32Å; P401-T425 WeakPolarHBondContact CG-O 3.31Å; P401-P428 HydrophobicContact CB-CG 4.25Å; P401-P428 HydrophobicContact CG-CB 3.88Å; P401-P428 HydrophobicContact CG-CG 3.65Å; P401-Y430 PolarHBondContact O-OH 3.21Å; P401-V452 HydrophobicContact CB-CG1 4.45Å; P401-M453 CarbonylContact C-O 3.35Å; P401-M453 VanDerWaalsContact CA-O 3.28Å; P401-M453 WeakPolarHBondContact CA-O 3.06Å; P401-I464 HydrophobicContact CB-CD1 4.17Å | ||
| 402 | Y | 97.6 | Very high | 87.7 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.9 | 163.7 | 70.6 | -83 | 0 | 0 | 0 | 111.4 | K404 K418 M453 D454 N461 | Y402-K404 HydrophobicContact CE2-CB 4.34Å; Y402-K418 HydrophobicContact CD2-CB 4.23Å; Y402-K418 HydrophobicContact CD2-CD 4.37Å; Y402-K418 HydrophobicContact CE2-CD 4.39Å; Y402-M453 HydrophobicContact CD1-CB 3.86Å; Y402-M453 HydrophobicContact CD2-CB 4.16Å; Y402-M453 HydrophobicContact CD2-CG 4.39Å; Y402-M453 HydrophobicContact CE1-CB 3.39Å; Y402-M453 HydrophobicContact CE1-CG 4.29Å; Y402-M453 HydrophobicContact CE2-CB 3.71Å; Y402-M453 HydrophobicContact CE2-CG 3.73Å; Y402-M453 HydrophobicContact CG-CB 4.22Å; Y402-M453 PolarHBondContact N-O 3.18Å; Y402-M453 PolarHBondContact O-N 3.12Å; Y402-D454 WeakPolarHBondContact CE1-O 3.27Å; Y402-N461 PolarHBondContact OH-ND2 2.83Å |
| 403 | V | 98.1 | Very high | 88 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.9 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | I367 V384 V405 K418 T419 Y430 I450 V452 | I367-V403 HydrophobicContact CD1-CG1 3.85Å; I367-V403 HydrophobicContact CD1-CG2 3.87Å; V384-V403 HydrophobicContact CG1-CB 4.15Å; V384-V403 HydrophobicContact CG1-CG1 4.44Å; V384-V403 HydrophobicContact CG1-CG2 3.78Å; V384-V403 HydrophobicContact CG2-CB 4.32Å; V384-V403 HydrophobicContact CG2-CG1 4.11Å; V403-V405 HydrophobicContact CG1-CG2 4.21Å; V403-K418 CarbonylContact O-C 3.6Å; V403-K418 WeakPolarHBondContact O-CA 3.34Å; V403-T419 HydrophobicContact CB-CG2 3.97Å; V403-T419 PolarHBondContact N-OG1 3.3Å; V403-T419 PolarHBondContact O-N 2.83Å; V403-T419 PolarHBondContact O-OG1 3.27Å; V403-Y430 HydrophobicContact CG2-CD2 4.39Å; V403-Y430 HydrophobicContact CG2-CE1 4.49Å; V403-Y430 HydrophobicContact CG2-CE2 3.75Å; V403-I450 HydrophobicContact CG1-CG2 3.73Å; V403-V452 HydrophobicContact CG2-CG2 4.28Å |
| 404 | K | 97.6 | Very high | 88.5 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.9 | 178.7 | 175.6 | -173 | 171.4 | -168.4 | 0 | 109 | Y402 R417 A451 M453 | Y402-K404 HydrophobicContact CE2-CB 4.34Å; K404-R417 WeakPolarHBondContact CA-O 3.25Å; K404-A451 PolarHBondContact N-O 3.48Å; K404-A451 PolarHBondContact O-N 3.13Å; K404-M453 HydrophobicContact CB-CG 4.09Å; K404-M453 HydrophobicContact CD-CG 4.43Å; K404-M453 HydrophobicContact CD-SD 4.43Å |
| 405 | V | 97.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.5 | 179.4 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | L382 V403 K416 R417 I434 F436 L448 I450 | L382-V405 HydrophobicContact CD1-CG1 4.08Å; L382-V405 HydrophobicContact CD1-CG2 4.39Å; L382-V405 HydrophobicContact CD2-CG2 4.17Å; V403-V405 HydrophobicContact CG1-CG2 4.21Å; V405-K416 WeakPolarHBondContact O-CA 3.2Å; V405-R417 PolarHBondContact N-O 2.82Å; V405-R417 PolarHBondContact O-N 3.48Å; V405-I434 HydrophobicContact CB-CD1 4.1Å; V405-I434 HydrophobicContact CG2-CD1 3.63Å; V405-F436 HydrophobicContact CB-CE2 4.38Å; V405-F436 HydrophobicContact CB-CZ 4.23Å; V405-F436 HydrophobicContact CG1-CE2 3.64Å; V405-F436 HydrophobicContact CG1-CZ 3.8Å; V405-L448 HydrophobicContact CG1-CD2 4.3Å; V405-I450 HydrophobicContact CG1-CG1 4.23Å; V405-I450 HydrophobicContact CG2-CG1 4.33Å; V405-I450 HydrophobicContact CG2-CG2 4.41Å |
| 406 | S | 96.2 | Very high | 90.6 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.1 | -179.6 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | K415 S449 | S406-K415 CarbonylContact C-O 3.52Å; S406-K415 WeakPolarHBondContact CA-O 3.41Å; S406-S449 PolarHBondContact N-O 2.87Å; S406-S449 PolarHBondContact O-N 2.89Å |
| 407 | L | 95.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.4 | 167.6 | -179 | 67.1 | 0 | 0 | 0 | 108.6 | R413 L414 K415 F436 I438 V446 L448 | L407-R413 CarbonylContact O-C 3.46Å; L407-L414 HydrophobicContact CD2-CB 4.3Å; L407-L414 HydrophobicContact CD2-CD1 4.22Å; L407-L414 HydrophobicContact CG-CB 4.36Å; L407-L414 HydrophobicContact CG-CD1 4.36Å; L407-L414 PolarHBondContact O-N 2.74Å; L407-K415 HydrophobicContact CB-CB 4.18Å; L407-K415 HydrophobicContact CD2-CB 4.46Å; L407-K415 HydrophobicContact CD2-CD 4.41Å; L407-K415 PolarHBondContact N-O 3.48Å; L407-K415 PolarHBondContact O-N 3.3Å; L407-F436 HydrophobicContact CB-CD1 3.99Å; L407-F436 HydrophobicContact CB-CE1 3.99Å; L407-F436 HydrophobicContact CB-CG 4.49Å; L407-F436 HydrophobicContact CB-CZ 4.49Å; L407-F436 HydrophobicContact CD2-CB 4.41Å; L407-F436 HydrophobicContact CD2-CD1 4.26Å; L407-I438 HydrophobicContact CD1-CD1 3.65Å; L407-I438 HydrophobicContact CD1-CG1 4.35Å; L407-I438 HydrophobicContact CD2-CD1 4.36Å; L407-I438 HydrophobicContact CD2-CG1 4.2Å; L407-V446 HydrophobicContact CD1-CB 3.9Å; L407-V446 HydrophobicContact CD1-CG1 4.26Å; L407-V446 HydrophobicContact CD1-CG2 4.31Å; L407-L448 HydrophobicContact CB-CD2 4.24Å; L407-L448 HydrophobicContact CD1-CD2 3.7Å |
| 408 | M | 93.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 151.9 | -180 | -51.6 | -61.6 | -63.5 | 0 | 0 | 109.5 | G411 R412 R413 V446 S447 | M408-G411 VanDerWaalsContact CE-O 3.23Å; M408-G411 WeakPolarHBondContact CE-O 3.44Å; M408-R412 CarbonylContact C-O 3.56Å; M408-R412 VanDerWaalsContact CA-O 3.27Å; M408-R412 WeakPolarHBondContact CA-O 3.46Å; M408-R413 HydrophobicContact CE-CB 4.05Å; M408-R413 HydrophobicContact SD-CB 3.66Å; M408-R413 HydrophobicContact SD-CG 3.86Å; M408-V446 WeakPolarHBondContact O-CA 3.44Å; M408-V446 WeakPolarHBondContact O-CB 3.4Å; M408-S447 WeakPolarHBondContact CA-O 3.35Å; M408-S447 WeakPolarHBondContact CB-O 3.42Å; M408-S447 PolarHBondContact N-O 3.25Å; M408-S447 PolarHBondContact O-N 3.42Å |
| 409 | C | 90.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 123.8 | 173 | -172.3 | 0 | 0 | 0 | 0 | 106.9 | G411 R412 L414 V446 | C409-G411 PolarHBondContact O-N 3.2Å; C409-G411 VanDerWaalsContact O-N 3.14Å; C409-R412 PolarHBondContact N-O 3.25Å; C409-R412 WeakPolarHBondContact O-CA 3.35Å; C409-R412 WeakPolarHBondContact O-CB 3.4Å; C409-R412 PolarHBondContact O-N 3.21Å; C409-L414 HydrophobicContact CB-CD1 3.49Å; C409-L414 VanDerWaalsContact CB-CD1 3.49Å; C409-L414 HydrophobicContact CB-CG 3.89Å; C409-V446 HydrophobicContact CB-CG1 4.16Å |
| 410 | E | 84.6 | Confident | 93.9 | Very high | 159 Ų | 159 | 65.1 Ų | 65.1 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 42.8 | -177.3 | -55.1 | -175.2 | 147.4 | 0 | 0 | 113.5 | R412 | E410-R412 PolarHBondContact O-N 3Å; E410-R412 VanDerWaalsContact O-N 3.09Å |
| 411 | G | 79.8 | Confident | 94.1 | Very high | 61 Ų | 61 | 67 Ų | 67 | 63% | 0.629 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -10.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | M408 C409 | M408-G411 VanDerWaalsContact CE-O 3.23Å; M408-G411 WeakPolarHBondContact CE-O 3.44Å; C409-G411 PolarHBondContact O-N 3.2Å; C409-G411 VanDerWaalsContact O-N 3.14Å |
| 412 | R | 87.5 | Confident | 94.1 | Very high | 196 Ų | 196 | 69.9 Ų | 69.9 | 74% | 0.74 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 140.7 | 176.5 | -60.9 | -179.5 | 178.2 | -175.5 | 0.7 | 111.2 | M408 C409 E410 | M408-R412 CarbonylContact C-O 3.56Å; M408-R412 VanDerWaalsContact CA-O 3.27Å; M408-R412 WeakPolarHBondContact CA-O 3.46Å; C409-R412 PolarHBondContact N-O 3.25Å; C409-R412 WeakPolarHBondContact O-CA 3.35Å; C409-R412 WeakPolarHBondContact O-CB 3.4Å; C409-R412 PolarHBondContact O-N 3.21Å; E410-R412 PolarHBondContact O-N 3Å; E410-R412 VanDerWaalsContact O-N 3.09Å |
| 413 | R | 91.7 | Very high | 93.9 | Very high | 142 Ų | 142 | 75.2 Ų | 75.2 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.4 | 179 | -175.5 | 176.5 | 63.9 | -146.6 | -7.6 | 111.7 | L407 M408 | L407-R413 CarbonylContact O-C 3.46Å; M408-R413 HydrophobicContact CE-CB 4.05Å; M408-R413 HydrophobicContact SD-CB 3.66Å; M408-R413 HydrophobicContact SD-CG 3.86Å |
| 414 | L | 92.1 | Very high | 93.5 | Very high | 106 Ų | 106 | 80 Ų | 80 | 56% | 0.555 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -59.1 | 179.8 | -68.5 | 175.5 | 0 | 0 | 0 | 113.2 | L407 C409 V446 | L407-L414 HydrophobicContact CD2-CB 4.3Å; L407-L414 HydrophobicContact CD2-CD1 4.22Å; L407-L414 HydrophobicContact CG-CB 4.36Å; L407-L414 HydrophobicContact CG-CD1 4.36Å; L407-L414 PolarHBondContact O-N 2.74Å; C409-L414 HydrophobicContact CB-CD1 3.49Å; C409-L414 VanDerWaalsContact CB-CD1 3.49Å; C409-L414 HydrophobicContact CB-CG 3.89Å; L414-V446 HydrophobicContact CD1-CG1 4.49Å |
| 415 | K | 94.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 78.8 Ų | 78.8 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145.2 | -175.7 | -69.6 | 176.3 | 179.9 | 169.9 | 0 | 109.4 | S406 L407 F436 D437 | S406-K415 CarbonylContact C-O 3.52Å; S406-K415 WeakPolarHBondContact CA-O 3.41Å; L407-K415 HydrophobicContact CB-CB 4.18Å; L407-K415 HydrophobicContact CD2-CB 4.46Å; L407-K415 HydrophobicContact CD2-CD 4.41Å; L407-K415 PolarHBondContact N-O 3.48Å; L407-K415 PolarHBondContact O-N 3.3Å; K415-F436 HydrophobicContact CB-CD1 3.91Å; K415-F436 HydrophobicContact CB-CE1 3.84Å; K415-F436 HydrophobicContact CD-CD1 4.15Å; K415-D437 PolarHBondContact NZ-O 3.05Å; K415-D437 IonicContact NZ-OD2 3.23Å; K415-D437 PolarHBondContact NZ-OD2 2.96Å |
| 416 | K | 95.5 | Very high | 92.8 | Very high | 129 Ų | 129 | 80.9 Ų | 80.9 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.3 | 171.9 | 66.4 | -178.4 | 179.1 | -178.1 | 0 | 110.7 | V405 | V405-K416 WeakPolarHBondContact O-CA 3.2Å |
| 417 | R | 97.4 | Very high | 92.7 | Very high | 130 Ų | 130 | 84.6 Ų | 84.6 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 161.5 | 174.7 | -64.6 | -65.6 | -177.2 | -98.9 | 6.2 | 109.1 | K404 V405 I434 F436 | K404-R417 WeakPolarHBondContact CA-O 3.25Å; V405-R417 PolarHBondContact N-O 2.82Å; V405-R417 PolarHBondContact O-N 3.48Å; R417-I434 HydrophobicContact CB-CD1 4.35Å; R417-I434 HydrophobicContact CB-CG2 3.53Å; R417-I434 HydrophobicContact CG-CG2 3.81Å; R417-F436 HydrophobicContact CB-CZ 4.35Å; R417-F436 HydrophobicContact CG-CE1 3.97Å; R417-F436 HydrophobicContact CG-CZ 4.13Å |
| 418 | K | 96.8 | Very high | 92.7 | Very high | 146 Ų | 146 | 84.5 Ų | 84.5 | 64% | 0.635 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153.4 | 176.3 | 63.3 | 169.3 | -174.5 | 167.7 | 0 | 110.9 | Y402 V403 | Y402-K418 HydrophobicContact CD2-CB 4.23Å; Y402-K418 HydrophobicContact CD2-CD 4.37Å; Y402-K418 HydrophobicContact CE2-CD 4.39Å; V403-K418 CarbonylContact O-C 3.6Å; V403-K418 WeakPolarHBondContact O-CA 3.34Å |
| 419 | T | 97.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 87.1 Ų | 87.1 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | trans | -78.6 | 177 | 171.3 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | V384 V403 Y430 E432 I434 | V384-T419 HydrophobicContact CB-CG2 3.93Å; V384-T419 HydrophobicContact CG1-CG2 4.19Å; V384-T419 HydrophobicContact CG2-CG2 3.81Å; V403-T419 HydrophobicContact CB-CG2 3.97Å; V403-T419 PolarHBondContact N-OG1 3.3Å; V403-T419 PolarHBondContact O-N 2.83Å; V403-T419 PolarHBondContact O-OG1 3.27Å; T419-Y430 HydrophobicContact CG2-CD1 4.25Å; T419-Y430 HydrophobicContact CG2-CG 4.48Å; T419-Y430 WeakPolarHBondContact OG1-CE1 3.43Å; T419-E432 WeakPolarHBondContact CA-OE2 3.31Å; T419-E432 WeakPolarHBondContact CB-OE2 3.42Å; T419-E432 HydrophobicContact CG2-CB 4.15Å; T419-I434 HydrophobicContact CG2-CD1 4.18Å | ||
| 420 | T | 97.4 | Very high | 93.2 | Very high | 70 Ų | 70 | 86.6 Ų | 86.6 | 43% | 0.429 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.4 | 159.7 | 67.9 | 0 | 0 | 0 | 0 | 111 | K422 Y430 E432 | T420-K422 PolarHBondContact OG1-NZ 2.74Å; T420-Y430 WeakPolarHBondContact O-CE1 3.12Å; T420-E432 WeakPolarHBondContact CB-OE1 3.37Å; T420-E432 PolarHBondContact N-OE1 2.9Å; T420-E432 VanDerWaalsContact N-OE1 3.13Å; T420-E432 PolarHBondContact N-OE2 2.83Å; T420-E432 PolarHBondContact OG1-OE1 2.89Å |
| 421 | T | 96.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 84.1 Ų | 84.1 | 29% | 0.288 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 128.7 | 172.1 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | D400 P401 Y455 | D400-T421 HydrophobicContact CB-CG2 4.22Å; D400-T421 VanDerWaalsContact O-CG2 3.22Å; D400-T421 WeakPolarHBondContact O-CG2 3.22Å; P401-T421 WeakPolarHBondContact O-CA 3.35Å; T421-Y455 HydrophobicContact CG2-CD1 4.2Å; T421-Y455 HydrophobicContact CG2-CG 4.14Å |
| 422 | K | 96.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 83.3 Ų | 83.3 | 26% | 0.261 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -97 | 142.6 | 168.5 | -54 | -45.5 | -169.6 | -160.3 | 0 | 108.1 | D400 P401 T420 T425 P428 V429 Y430 E432 | D400-K422 CarbonylContact C-O 3.53Å; D400-K422 WeakPolarHBondContact CA-O 3.37Å; P401-K422 WeakPolarHBondContact CD-O 3.44Å; P401-K422 VanDerWaalsContact N-O 3.11Å; P401-K422 PolarHBondContact O-N 2.91Å; T420-K422 PolarHBondContact OG1-NZ 2.74Å; K422-T425 HydrophobicContact CB-CG2 3.74Å; K422-P428 HydrophobicContact CB-CB 3.95Å; K422-P428 HydrophobicContact CG-CB 3.81Å; K422-V429 WeakPolarHBondContact CE-O 3.19Å; K422-Y430 HydrophobicContact CG-CD1 4.19Å; K422-Y430 HydrophobicContact CG-CE1 3.88Å; K422-E432 IonicContact NZ-OE1 3.11Å |
| 423 | K | 93.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 77 Ų | 77 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 143.7 | -174.7 | -63.9 | -172.3 | 174.7 | 178.1 | 0 | 112.5 | D400 T425 | D400-K423 WeakPolarHBondContact OD1-CA 3.42Å; D400-K423 VanDerWaalsContact OD1-CB 3.32Å; D400-K423 WeakPolarHBondContact OD1-CB 3.32Å; K423-T425 PolarHBondContact O-N 2.96Å |
| 424 | N | 90 | Very high | 95.4 | Very high | 102 Ų | 102 | 70.8 Ų | 70.8 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 44.9 | 55.9 | 172.1 | -170 | 88.9 | 0 | 0 | 0 | 112.3 | S398 S399 D400 | S398-N424 WeakPolarHBondContact CB-OD1 3.45Å; S398-N424 WeakPolarHBondContact OG-CA 3.49Å; S398-N424 PolarHBondContact OG-O 3.38Å; S399-N424 CarbonylContact O-C 3.49Å; S399-N424 VanDerWaalsContact O-CA 3.24Å; S399-N424 WeakPolarHBondContact O-CA 3.39Å; S399-N424 PolarHBondContact O-N 2.87Å; S399-N424 VanDerWaalsContact O-N 3.08Å; D400-N424 PolarHBondContact OD1-N 3.03Å |
| 425 | T | 90.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | trans | -149.7 | 134.2 | 179.7 | -178 | 0 | 0 | 0 | 0 | 113 | S398 S399 P401 K422 K423 N427 P428 | S398-T425 PolarHBondContact OG-N 3.42Å; S399-T425 PolarHBondContact O-N 3Å; P401-T425 VanDerWaalsContact CD-O 3.3Å; P401-T425 WeakPolarHBondContact CD-O 3.31Å; P401-T425 HydrophobicContact CG-CG2 4.18Å; P401-T425 VanDerWaalsContact CG-O 3.32Å; P401-T425 WeakPolarHBondContact CG-O 3.31Å; K422-T425 HydrophobicContact CB-CG2 3.74Å; K423-T425 PolarHBondContact O-N 2.96Å; T425-N427 PolarHBondContact OG1-N 3Å; T425-N427 VanDerWaalsContact OG1-N 3.13Å; T425-P428 HydrophobicContact CG2-CB 3.98Å | ||
| 426 | L | 89.9 | Confident | 95.7 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -93.9 | -1.4 | 172 | -53 | -177.7 | 0 | 0 | 0 | 112.7 | N389 L390 A392 S399 P428 | N389-L426 PolarHBondContact N-O 3.42Å; L390-L426 HydrophobicContact CB-CB 4.34Å; L390-L426 WeakPolarHBondContact CB-O 3.47Å; L390-L426 WeakPolarHBondContact CG-O 3.09Å; L390-L426 PolarHBondContact N-O 3.44Å; L390-L426 WeakPolarHBondContact O-CD2 3.18Å; A392-L426 HydrophobicContact CB-CD1 4.17Å; A392-L426 HydrophobicContact CB-CD2 4.13Å; S399-L426 WeakPolarHBondContact OG-CD2 3.06Å; L426-P428 VanDerWaalsContact C-CD 3.45Å |
| 427 | N | 92.9 | Very high | 95.7 | Very high | 87 Ų | 87 | 64.2 Ų | 64.2 | 47% | 0.465 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -132.9 | 58.4 | -179.3 | -59.6 | -79.8 | 0 | 0 | 0 | 110.8 | C387 R388 N389 T425 | C387-N427 CarbonylContact O-C 3.51Å; C387-N427 WeakPolarHBondContact O-CA 3.48Å; R388-N427 WeakPolarHBondContact CA-OD1 3.35Å; R388-N427 WeakPolarHBondContact CB-OD1 3.46Å; N389-N427 PolarHBondContact N-OD1 3.4Å; T425-N427 PolarHBondContact OG1-N 3Å; T425-N427 VanDerWaalsContact OG1-N 3.13Å |
| 428 | P | 96.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | trans | -67.9 | 142.4 | -177.5 | 30.2 | -38.2 | 0 | 0 | 0 | 112.2 | K386 C387 L390 P401 K422 T425 L426 Y430 | K386-P428 CarbonylContact C-O 3.51Å; K386-P428 WeakPolarHBondContact CA-O 3.4Å; K386-P428 WeakPolarHBondContact CB-O 3.38Å; C387-P428 HydrophobicContact CB-CG 3.84Å; C387-P428 PolarHBondContact N-O 2.86Å; L390-P428 HydrophobicContact CD1-CG 3.73Å; P401-P428 HydrophobicContact CB-CG 4.25Å; P401-P428 HydrophobicContact CG-CB 3.88Å; P401-P428 HydrophobicContact CG-CG 3.65Å; K422-P428 HydrophobicContact CB-CB 3.95Å; K422-P428 HydrophobicContact CG-CB 3.81Å; T425-P428 HydrophobicContact CG2-CB 3.98Å; L426-P428 VanDerWaalsContact C-CD 3.45Å; P428-Y430 HydrophobicContact CB-CD2 4.46Å; P428-Y430 HydrophobicContact CB-CE1 4.38Å; P428-Y430 HydrophobicContact CB-CE2 3.7Å; P428-Y430 HydrophobicContact CG-CE2 3.64Å; P428-Y430 WeakPolarHBondContact CG-OH 3.43Å | ||
| 429 | V | 97.4 | Very high | 95.4 | Very high | 77 Ų | 77 | 54 Ų | 54 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.4 | 169.2 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | K386 K422 | K386-V429 HydrophobicContact CB-CB 4.37Å; K386-V429 HydrophobicContact CB-CG1 4.47Å; K386-V429 HydrophobicContact CB-CG2 4Å; K422-V429 WeakPolarHBondContact CE-O 3.19Å |
| 430 | Y | 97.5 | Very high | 95.1 | Very high | 14 Ų | 14 | 56.8 Ų | 56.8 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -57.3 | -176.2 | -57.9 | -86.2 | 0 | 0 | 0 | 111.2 | V384 I385 P401 V403 T419 T420 K422 P428 E432 | V384-Y430 HydrophobicContact CG1-CD2 3.53Å; V384-Y430 HydrophobicContact CG1-CE2 4.17Å; V384-Y430 HydrophobicContact CG1-CG 3.91Å; I385-Y430 PolarHBondContact O-N 2.87Å; P401-Y430 PolarHBondContact O-OH 3.21Å; V403-Y430 HydrophobicContact CG2-CD2 4.39Å; V403-Y430 HydrophobicContact CG2-CE1 4.49Å; V403-Y430 HydrophobicContact CG2-CE2 3.75Å; T419-Y430 HydrophobicContact CG2-CD1 4.25Å; T419-Y430 HydrophobicContact CG2-CG 4.48Å; T419-Y430 WeakPolarHBondContact OG1-CE1 3.43Å; T420-Y430 WeakPolarHBondContact O-CE1 3.12Å; K422-Y430 HydrophobicContact CG-CD1 4.19Å; K422-Y430 HydrophobicContact CG-CE1 3.88Å; P428-Y430 HydrophobicContact CB-CD2 4.46Å; P428-Y430 HydrophobicContact CB-CE1 4.38Å; P428-Y430 HydrophobicContact CB-CE2 3.7Å; P428-Y430 HydrophobicContact CG-CE2 3.64Å; P428-Y430 WeakPolarHBondContact CG-OH 3.43Å; Y430-E432 PolarHBondContact O-N 2.87Å |
| 431 | N | 97.3 | Very high | 94.9 | Very high | 107 Ų | 107 | 61 Ų | 61 | 57% | 0.572 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.3 | 39.5 | -168.7 | -56.3 | -38.4 | 0 | 0 | 0 | 113 | V384 I385 | V384-N431 CarbonylContact O-C 3.54Å; V384-N431 VanDerWaalsContact O-CA 3.24Å; V384-N431 WeakPolarHBondContact O-CA 3.4Å; V384-N431 PolarHBondContact O-N 2.73Å; I385-N431 PolarHBondContact O-N 2.86Å; I385-N431 VanDerWaalsContact O-N 3.16Å |
| 432 | E | 98 | Very high | 94.6 | Very high | 44 Ų | 44 | 62 Ų | 62 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.3 | -173.6 | -72 | 177.8 | -124.9 | 0 | 0 | 111.6 | T383 V384 T419 T420 K422 Y430 | T383-E432 CarbonylContact C-O 3.57Å; T383-E432 WeakPolarHBondContact CA-O 3.4Å; V384-E432 PolarHBondContact N-O 2.89Å; V384-E432 PolarHBondContact O-N 2.81Å; T419-E432 WeakPolarHBondContact CA-OE2 3.31Å; T419-E432 WeakPolarHBondContact CB-OE2 3.42Å; T419-E432 HydrophobicContact CG2-CB 4.15Å; T420-E432 WeakPolarHBondContact CB-OE1 3.37Å; T420-E432 PolarHBondContact N-OE1 2.9Å; T420-E432 VanDerWaalsContact N-OE1 3.13Å; T420-E432 PolarHBondContact N-OE2 2.83Å; T420-E432 PolarHBondContact OG1-OE1 2.89Å; K422-E432 IonicContact NZ-OE1 3.11Å; Y430-E432 PolarHBondContact O-N 2.87Å |
| 433 | A | 97.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T381 | T381-A433 HydrophobicContact CG2-CB 4.15Å |
| 434 | I | 97.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.8 | 175 | -64.5 | 176.6 | 0 | 0 | 0 | 108 | L382 V384 V405 R417 T419 F436 | L382-I434 PolarHBondContact N-O 3.18Å; L382-I434 PolarHBondContact O-N 3.25Å; V384-I434 HydrophobicContact CG2-CD1 4.22Å; V405-I434 HydrophobicContact CB-CD1 4.1Å; V405-I434 HydrophobicContact CG2-CD1 3.63Å; R417-I434 HydrophobicContact CB-CD1 4.35Å; R417-I434 HydrophobicContact CB-CG2 3.53Å; R417-I434 HydrophobicContact CG-CG2 3.81Å; T419-I434 HydrophobicContact CG2-CD1 4.18Å; I434-F436 HydrophobicContact CG2-CD2 4.25Å; I434-F436 HydrophobicContact CG2-CE2 3.51Å; I434-F436 HydrophobicContact CG2-CZ 3.67Å |
| 435 | I | 96.7 | Very high | 94.1 | Very high | 79 Ų | 79 | 58.5 Ų | 58.5 | 41% | 0.405 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 135.1 | -175.3 | -59.1 | 172 | 0 | 0 | 0 | 110.1 | R379 M380 T381 | R379-I435 HydrophobicContact CG-CG2 3.61Å; M380-I435 WeakPolarHBondContact O-CA 3.07Å; T381-I435 HydrophobicContact CG2-CG1 4.25Å |
| 436 | F | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.6 | 170.8 | -61.3 | -78.3 | 0 | 0 | 0 | 110.5 | M380 V405 L407 K415 R417 I434 I438 L448 | M380-F436 HydrophobicContact CB-CB 4.43Å; M380-F436 PolarHBondContact N-O 2.79Å; M380-F436 PolarHBondContact O-N 2.85Å; V405-F436 HydrophobicContact CB-CE2 4.38Å; V405-F436 HydrophobicContact CB-CZ 4.23Å; V405-F436 HydrophobicContact CG1-CE2 3.64Å; V405-F436 HydrophobicContact CG1-CZ 3.8Å; L407-F436 HydrophobicContact CB-CD1 3.99Å; L407-F436 HydrophobicContact CB-CE1 3.99Å; L407-F436 HydrophobicContact CB-CG 4.49Å; L407-F436 HydrophobicContact CB-CZ 4.49Å; L407-F436 HydrophobicContact CD2-CB 4.41Å; L407-F436 HydrophobicContact CD2-CD1 4.26Å; K415-F436 HydrophobicContact CB-CD1 3.91Å; K415-F436 HydrophobicContact CB-CE1 3.84Å; K415-F436 HydrophobicContact CD-CD1 4.15Å; R417-F436 HydrophobicContact CB-CZ 4.35Å; R417-F436 HydrophobicContact CG-CE1 3.97Å; R417-F436 HydrophobicContact CG-CZ 4.13Å; I434-F436 HydrophobicContact CG2-CD2 4.25Å; I434-F436 HydrophobicContact CG2-CE2 3.51Å; I434-F436 HydrophobicContact CG2-CZ 3.67Å; F436-I438 HydrophobicContact CB-CD1 4.08Å; F436-I438 HydrophobicContact CB-CG1 3.97Å; F436-I438 PolarHBondContact O-N 3.11Å; F436-L448 HydrophobicContact CD2-CD2 3.98Å; F436-L448 HydrophobicContact CE2-CD2 3.87Å |
| 437 | D | 95.3 | Very high | 94.5 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.6 | 168.6 | -25.5 | -82.5 | 0 | 0 | 0 | 108.1 | G378 K415 | G378-D437 CarbonylContact O-C 3.49Å; G378-D437 VanDerWaalsContact O-CA 3.32Å; G378-D437 WeakPolarHBondContact O-CA 3.5Å; K415-D437 PolarHBondContact NZ-O 3.05Å; K415-D437 IonicContact NZ-OD2 3.23Å; K415-D437 PolarHBondContact NZ-OD2 2.96Å |
| 438 | I | 94.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -136.3 | 102.2 | -176.5 | -52.5 | -178.7 | 0 | 0 | 0 | 107.3 | Y373 G378 M380 L407 F436 V443 V446 | Y373-I438 HydrophobicContact CE2-CB 4.43Å; Y373-I438 WeakPolarHBondContact CE2-O 3.22Å; Y373-I438 PolarHBondContact OH-O 3.47Å; G378-I438 CarbonylContact C-O 3.57Å; G378-I438 VanDerWaalsContact CA-O 3.23Å; G378-I438 WeakPolarHBondContact CA-O 3.48Å; G378-I438 CarbonylContact O-C 3.5Å; G378-I438 PolarHBondContact O-N 2.85Å; G378-I438 VanDerWaalsContact O-O 3.11Å; M380-I438 HydrophobicContact CB-CD1 3.62Å; M380-I438 HydrophobicContact CB-CG1 4.15Å; M380-I438 HydrophobicContact CG-CD1 4.08Å; L407-I438 HydrophobicContact CD1-CD1 3.65Å; L407-I438 HydrophobicContact CD1-CG1 4.35Å; L407-I438 HydrophobicContact CD2-CD1 4.36Å; L407-I438 HydrophobicContact CD2-CG1 4.2Å; F436-I438 HydrophobicContact CB-CD1 4.08Å; F436-I438 HydrophobicContact CB-CG1 3.97Å; F436-I438 PolarHBondContact O-N 3.11Å; I438-V443 HydrophobicContact CG2-CB 4.49Å; I438-V443 HydrophobicContact CG2-CG2 3.99Å; I438-V446 HydrophobicContact CD1-CG2 4.22Å; I438-V446 HydrophobicContact CG2-CG2 3.85Å | ||
| 439 | P | 94 | Very high | 94.5 | Very high | 57 Ų | 57 | 52 Ų | 52 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | trans | -56.4 | 149.5 | 173.1 | -24.4 | 34.8 | 0 | 0 | 0 | 111.7 | E441 N442 V443 | P439-E441 PolarHBondContact O-N 2.95Å; P439-N442 PolarHBondContact O-N 3.33Å; P439-V443 PolarHBondContact O-N 3.1Å | ||
| 440 | P | 91.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -60.4 | -35.2 | -178.2 | 24.2 | -33.7 | 0 | 0 | 0 | 112.5 | Y373 N442 V443 | Y373-P440 VanDerWaalsContact OH-CA 3.28Å; Y373-P440 WeakPolarHBondContact OH-CA 3.17Å; P440-N442 PolarHBondContact O-N 3.29Å; P440-N442 VanDerWaalsContact O-N 3.16Å; P440-V443 PolarHBondContact O-N 3.5Å |
| 441 | E | 92 | Very high | 94.5 | Very high | 160 Ų | 160 | 48.3 Ų | 48.3 | 75% | 0.748 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -56.7 | -27.3 | 174.7 | -66.2 | 154.4 | -124.7 | 0 | 0 | 113.8 | P439 | P439-E441 PolarHBondContact O-N 2.95Š|
| 442 | N | 90.7 | Very high | 94.5 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -104.4 | -3.4 | -174.8 | -63.1 | -6.4 | 0 | 0 | 0 | 112.7 | P439 P440 D444 Q445 V446 | P439-N442 PolarHBondContact O-N 3.33Å; P440-N442 PolarHBondContact O-N 3.29Å; P440-N442 VanDerWaalsContact O-N 3.16Å; N442-D444 PolarHBondContact O-N 2.91Å; N442-Q445 PolarHBondContact O-N 3.48Å; N442-V446 WeakPolarHBondContact O-CG1 3.31Å; N442-V446 WeakPolarHBondContact O-CG2 3.4Å; N442-V446 PolarHBondContact O-N 3.35Å |
| 443 | V | 90.6 | Very high | 94.3 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.6 | -171.3 | 106.2 | 0 | 0 | 0 | 0 | 112.3 | Y373 M380 I438 P439 P440 V446 W481 L485 | Y373-V443 HydrophobicContact CD1-CG2 4.3Å; Y373-V443 HydrophobicContact CD2-CG2 4.39Å; Y373-V443 HydrophobicContact CE1-CG2 3.87Å; Y373-V443 HydrophobicContact CE2-CG2 3.98Å; M380-V443 HydrophobicContact CE-CG2 4.35Å; I438-V443 HydrophobicContact CG2-CB 4.49Å; I438-V443 HydrophobicContact CG2-CG2 3.99Å; P439-V443 PolarHBondContact O-N 3.1Å; P440-V443 PolarHBondContact O-N 3.5Å; V443-V446 WeakPolarHBondContact O-CG2 3Å; V443-W481 HydrophobicContact CG2-CZ2 4.45Å; V443-L485 HydrophobicContact CG1-CD1 4.44Å; V443-L485 HydrophobicContact CG1-CD2 3.88Å; V443-L485 HydrophobicContact CG2-CD2 4.36Å |
| 444 | D | 89.6 | Confident | 94.2 | Very high | 102 Ų | 102 | 38.7 Ų | 38.7 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -16.7 | -179 | -58.9 | -30.7 | 0 | 0 | 0 | 113.3 | N442 L471 | N442-D444 PolarHBondContact O-N 2.91Å; D444-L471 HydrophobicContact CB-CD1 3.75Å |
| 445 | Q | 90.5 | Very high | 94 | Very high | 108 Ų | 108 | 42.5 Ų | 42.5 | 51% | 0.505 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -7.8 | -177.1 | -61.8 | 177.7 | 6.5 | 0 | 0 | 113.2 | N442 | N442-Q445 PolarHBondContact O-N 3.48Š|
| 446 | V | 94 | Very high | 93.4 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 152.8 | -174.8 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | L407 M408 C409 L414 I438 N442 V443 W481 | L407-V446 HydrophobicContact CD1-CB 3.9Å; L407-V446 HydrophobicContact CD1-CG1 4.26Å; L407-V446 HydrophobicContact CD1-CG2 4.31Å; M408-V446 WeakPolarHBondContact O-CA 3.44Å; M408-V446 WeakPolarHBondContact O-CB 3.4Å; C409-V446 HydrophobicContact CB-CG1 4.16Å; L414-V446 HydrophobicContact CD1-CG1 4.49Å; I438-V446 HydrophobicContact CD1-CG2 4.22Å; I438-V446 HydrophobicContact CG2-CG2 3.85Å; N442-V446 WeakPolarHBondContact O-CG1 3.31Å; N442-V446 WeakPolarHBondContact O-CG2 3.4Å; N442-V446 PolarHBondContact O-N 3.35Å; V443-V446 WeakPolarHBondContact O-CG2 3Å; V446-W481 HydrophobicContact CG2-CH2 4.2Å; V446-W481 HydrophobicContact CG2-CZ2 4.12Å |
| 447 | S | 94.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.1 | 170.4 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | M408 T469 D472 | M408-S447 WeakPolarHBondContact CA-O 3.35Å; M408-S447 WeakPolarHBondContact CB-O 3.42Å; M408-S447 PolarHBondContact N-O 3.25Å; M408-S447 PolarHBondContact O-N 3.42Å; S447-T469 CarbonylContact C-O 3.5Å; S447-T469 WeakPolarHBondContact CA-O 3.35Å; S447-T469 WeakPolarHBondContact CB-O 3.47Å; S447-D472 WeakPolarHBondContact CB-OD1 3.44Å; S447-D472 PolarHBondContact OG-OD1 2.75Å; S447-D472 VanDerWaalsContact OG-OD1 3.12Å; S447-D472 PolarHBondContact OG-OD2 2.86Å |
| 448 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116 | 177.1 | -61.4 | 176.6 | 0 | 0 | 0 | 109.3 | L371 L382 V405 L407 F436 I450 R468 T469 W481 | L371-L448 HydrophobicContact CD2-CD1 3.94Å; L382-L448 HydrophobicContact CD1-CD1 3.85Å; V405-L448 HydrophobicContact CG1-CD2 4.3Å; L407-L448 HydrophobicContact CB-CD2 4.24Å; L407-L448 HydrophobicContact CD1-CD2 3.7Å; F436-L448 HydrophobicContact CD2-CD2 3.98Å; F436-L448 HydrophobicContact CE2-CD2 3.87Å; L448-I450 HydrophobicContact CB-CG1 4.5Å; L448-R468 WeakPolarHBondContact O-CA 3.48Å; L448-T469 PolarHBondContact N-O 3.12Å; L448-T469 PolarHBondContact O-N 3.25Å; L448-W481 HydrophobicContact CD1-CZ3 3.95Å; L448-W481 HydrophobicContact CG-CZ3 3.98Å |
| 449 | S | 95.1 | Very high | 90.4 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.9 | 167.6 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | S406 | S406-S449 PolarHBondContact N-O 2.87Å; S406-S449 PolarHBondContact O-N 2.89Å |
| 450 | I | 96.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.7 | -173.7 | -58.8 | 156.3 | 0 | 0 | 0 | 106.8 | I367 F369 L382 V403 V405 L448 V466 C467 | I367-I450 HydrophobicContact CD1-CG2 3.92Å; F369-I450 HydrophobicContact CD1-CD1 4.24Å; F369-I450 HydrophobicContact CD2-CD1 4.25Å; F369-I450 HydrophobicContact CE1-CD1 3.72Å; F369-I450 HydrophobicContact CE2-CD1 3.73Å; F369-I450 HydrophobicContact CG-CD1 4.48Å; F369-I450 HydrophobicContact CZ-CD1 3.46Å; F369-I450 VanDerWaalsContact CZ-CD1 3.46Å; L382-I450 HydrophobicContact CD1-CD1 3.68Å; L382-I450 HydrophobicContact CD1-CG1 3.99Å; V403-I450 HydrophobicContact CG1-CG2 3.73Å; V405-I450 HydrophobicContact CG1-CG1 4.23Å; V405-I450 HydrophobicContact CG2-CG1 4.33Å; V405-I450 HydrophobicContact CG2-CG2 4.41Å; L448-I450 HydrophobicContact CB-CG1 4.5Å; I450-V466 CarbonylContact O-C 3.52Å; I450-V466 VanDerWaalsContact O-CA 3.31Å; I450-V466 WeakPolarHBondContact O-CA 3.4Å; I450-C467 PolarHBondContact N-O 2.77Å; I450-C467 PolarHBondContact O-N 2.84Å |
| 451 | A | 96.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 59 Ų | 59 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125 | -180 | 0 | 0 | 0 | 0 | 0 | 110.3 | K404 M453 V466 | K404-A451 PolarHBondContact N-O 3.48Å; K404-A451 PolarHBondContact O-N 3.13Å; A451-M453 HydrophobicContact CB-SD 4.08Å; A451-V466 HydrophobicContact CB-CG1 3.81Å |
| 452 | V | 96.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.9 | 166.1 | -172.5 | 0 | 0 | 0 | 0 | 106.9 | I367 L390 P401 V403 I464 G465 L498 | I367-V452 HydrophobicContact CD1-CG2 4.03Å; L390-V452 HydrophobicContact CD1-CG1 3.95Å; L390-V452 HydrophobicContact CD2-CG1 4.05Å; P401-V452 HydrophobicContact CB-CG1 4.45Å; V403-V452 HydrophobicContact CG2-CG2 4.28Å; V452-I464 HydrophobicContact CB-CB 4.34Å; V452-I464 HydrophobicContact CG1-CB 4.2Å; V452-I464 HydrophobicContact CG1-CD1 4.04Å; V452-I464 PolarHBondContact O-N 3.24Å; V452-G465 PolarHBondContact N-O 2.81Å; V452-G465 PolarHBondContact O-N 2.97Å; V452-L498 HydrophobicContact CB-CD1 4.02Å; V452-L498 HydrophobicContact CB-CD2 4.45Å; V452-L498 HydrophobicContact CG2-CD1 3.68Å; V452-L498 HydrophobicContact CG2-CD2 3.62Å; V452-L498 HydrophobicContact CG2-CG 4.32Å |
| 453 | M | 95.6 | Very high | 89.2 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.064 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.6 | -174.3 | -57.4 | -69.4 | -47.1 | 0 | 0 | 108.8 | P401 Y402 K404 A451 N461 E462 V463 | P401-M453 CarbonylContact C-O 3.35Å; P401-M453 VanDerWaalsContact CA-O 3.28Å; P401-M453 WeakPolarHBondContact CA-O 3.06Å; Y402-M453 HydrophobicContact CD1-CB 3.86Å; Y402-M453 HydrophobicContact CD2-CB 4.16Å; Y402-M453 HydrophobicContact CD2-CG 4.39Å; Y402-M453 HydrophobicContact CE1-CB 3.39Å; Y402-M453 HydrophobicContact CE1-CG 4.29Å; Y402-M453 HydrophobicContact CE2-CB 3.71Å; Y402-M453 HydrophobicContact CE2-CG 3.73Å; Y402-M453 HydrophobicContact CG-CB 4.22Å; Y402-M453 PolarHBondContact N-O 3.18Å; Y402-M453 PolarHBondContact O-N 3.12Å; K404-M453 HydrophobicContact CB-CG 4.09Å; K404-M453 HydrophobicContact CD-CG 4.43Å; K404-M453 HydrophobicContact CD-SD 4.43Å; A451-M453 HydrophobicContact CB-SD 4.08Å; M453-N461 HydrophobicContact CE-CB 4.34Å; M453-N461 WeakPolarHBondContact CE-O 3.41Å; M453-E462 CarbonylContact C-O 3.49Å; M453-E462 WeakPolarHBondContact CA-O 3.3Å; M453-E462 WeakPolarHBondContact CE-O 3.5Å; M453-V463 HydrophobicContact CE-CG2 3.83Å; M453-V463 HydrophobicContact SD-CB 4.4Å; M453-V463 HydrophobicContact SD-CG2 3.82Å |
| 454 | D | 94.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -88.8 | 155.7 | 163 | -160.4 | 12.2 | 0 | 0 | 0 | 111.2 | M393 S399 D400 Y402 N461 E462 I464 | M393-D454 HydrophobicContact CB-CB 4.25Å; M393-D454 WeakPolarHBondContact CB-OD2 3.18Å; M393-D454 HydrophobicContact CG-CB 4.37Å; S399-D454 WeakPolarHBondContact CB-OD1 3.46Å; D400-D454 WeakPolarHBondContact CA-OD1 3.45Å; D400-D454 PolarHBondContact N-OD1 2.98Å; Y402-D454 WeakPolarHBondContact CE1-O 3.27Å; D454-N461 WeakPolarHBondContact O-CA 3.47Å; D454-N461 VanDerWaalsContact O-CB 3.27Å; D454-N461 WeakPolarHBondContact O-CB 3.42Å; D454-E462 PolarHBondContact N-O 2.96Å; D454-I464 HydrophobicContact CB-CD1 4.12Å; D454-I464 HydrophobicContact CB-CG1 4.15Å | ||
| 455 | Y | 92.5 | Very high | 89.3 | Confident | 92 Ų | 92 | 48.5 Ų | 48.5 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | trans | -117.3 | 92.8 | 178.1 | 177 | -105.9 | 0 | 0 | 0 | 112.3 | D400 T421 R457 | D400-Y455 VanDerWaalsContact O-CB 3.32Å; D400-Y455 WeakPolarHBondContact O-CB 3.42Å; D400-Y455 PolarHBondContact O-N 3.07Å; D400-Y455 VanDerWaalsContact O-N 3.14Å; T421-Y455 HydrophobicContact CG2-CD1 4.2Å; T421-Y455 HydrophobicContact CG2-CG 4.14Å; Y455-R457 HydrophobicContact CE1-CG 4.26Å | ||
| 456 | D | 84.6 | Confident | 89.4 | Confident | 33 Ų | 33 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | trans | -70.7 | 128.9 | 171.8 | -57.3 | -86.3 | 0 | 0 | 0 | 111.9 | V458 N461 E462 | D456-V458 VanDerWaalsContact C-N 3.3Å; D456-N461 VanDerWaalsContact OD2-CA 3.26Å; D456-N461 WeakPolarHBondContact OD2-CA 3.41Å; D456-N461 PolarHBondContact OD2-N 3.14Å; D456-E462 PolarHBondContact OD2-N 3.49Å | ||
| 457 | R | 75.4 | Confident | 89.3 | Confident | 174 Ų | 174 | 44.1 Ų | 44.1 | 66% | 0.657 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -73 | -26 | 170.6 | -60.4 | -175.1 | -166 | 174.4 | 10.2 | 112.7 | D400 Y455 | D400-R457 IonicContact OD2-NH2 3.23Å; Y455-R457 HydrophobicContact CE1-CG 4.26Å |
| 458 | V | 72.4 | Confident | 89.3 | Confident | 139 Ų | 139 | 49.2 Ų | 49.2 | 84% | 0.842 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -140.5 | 96.6 | -177.1 | -177.6 | 0 | 0 | 0 | 0 | 107.3 | D456 | D456-V458 VanDerWaalsContact C-N 3.3Š|
| 459 | G | 74.6 | Confident | 89.2 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 61% | 0.608 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 142.1 | -153.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 460 | H | 77.8 | Confident | 89 | Confident | 175 Ų | 175 | 48.1 Ų | 48.1 | 81% | 0.81 | 24% | 0.244 | S | C | * | . | trans | -121 | 116.4 | 177.7 | -68.3 | -59.4 | 0 | 0 | 0 | 110.3 | E462 | H460-E462 PolarHBondContact O-N 3.46Š| ||
| 461 | N | 86.6 | Confident | 88.6 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | trans | -37 | 110.1 | 174.9 | -60.3 | 22.1 | 0 | 0 | 0 | 113.4 | Y402 M453 D454 D456 | Y402-N461 PolarHBondContact OH-ND2 2.83Å; M453-N461 HydrophobicContact CE-CB 4.34Å; M453-N461 WeakPolarHBondContact CE-O 3.41Å; D454-N461 WeakPolarHBondContact O-CA 3.47Å; D454-N461 VanDerWaalsContact O-CB 3.27Å; D454-N461 WeakPolarHBondContact O-CB 3.42Å; D456-N461 VanDerWaalsContact OD2-CA 3.26Å; D456-N461 WeakPolarHBondContact OD2-CA 3.41Å; D456-N461 PolarHBondContact OD2-N 3.14Å | ||
| 462 | E | 88 | Confident | 88.1 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | trans | -81.2 | 155.9 | -179.7 | -63.3 | -162.5 | 95.9 | 0 | 0 | 113 | R326 M393 M453 D454 D456 H460 | R326-E462 IonicContact CZ-OE1 3.99Å; R326-E462 IonicContact CZ-OE2 3.78Å; R326-E462 IonicContact NE-OE1 2.64Å; R326-E462 IonicContact NE-OE2 2.83Å; R326-E462 VanDerWaalsContact NH2-CD 3.35Å; R326-E462 IonicContact NH2-OE1 2.85Å; R326-E462 PolarHBondContact NH2-OE1 3.26Å; R326-E462 IonicContact NH2-OE2 2.82Å; R326-E462 PolarHBondContact NH2-OE2 2.77Å; M393-E462 HydrophobicContact CE-CB 3.37Å; M393-E462 HydrophobicContact CE-CG 4.29Å; M453-E462 CarbonylContact C-O 3.49Å; M453-E462 WeakPolarHBondContact CA-O 3.3Å; M453-E462 WeakPolarHBondContact CE-O 3.5Å; D454-E462 PolarHBondContact N-O 2.96Å; D456-E462 PolarHBondContact OD2-N 3.49Å; H460-E462 PolarHBondContact O-N 3.46Å | ||
| 463 | V | 91.1 | Very high | 87.4 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.3 | 172.7 | -176 | 0 | 0 | 0 | 0 | 107.9 | M393 M453 V466 | M393-V463 WeakPolarHBondContact CE-O 3.3Å; M453-V463 HydrophobicContact CE-CG2 3.83Å; M453-V463 HydrophobicContact SD-CB 4.4Å; M453-V463 HydrophobicContact SD-CG2 3.82Å; V463-V466 HydrophobicContact CG1-CG1 3.92Å |
| 464 | I | 90.5 | Very high | 86.7 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -48.3 | 171.3 | -67.1 | 169.5 | 0 | 0 | 0 | 109.2 | L364 L390 K391 M393 P401 V452 D454 | L364-I464 WeakPolarHBondContact CD1-O 3.41Å; L390-I464 HydrophobicContact CB-CG2 4.46Å; L390-I464 HydrophobicContact CD1-CD1 4.42Å; L390-I464 HydrophobicContact CD2-CG2 4.26Å; K391-I464 HydrophobicContact CB-CG2 4.28Å; M393-I464 HydrophobicContact CG-CG1 3.79Å; P401-I464 HydrophobicContact CB-CD1 4.17Å; V452-I464 HydrophobicContact CB-CB 4.34Å; V452-I464 HydrophobicContact CG1-CB 4.2Å; V452-I464 HydrophobicContact CG1-CD1 4.04Å; V452-I464 PolarHBondContact O-N 3.24Å; D454-I464 HydrophobicContact CB-CD1 4.12Å; D454-I464 HydrophobicContact CB-CG1 4.15Å |
| 465 | G | 91.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | 172 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V452 L499 | V452-G465 PolarHBondContact N-O 2.81Å; V452-G465 PolarHBondContact O-N 2.97Å; G465-L499 CarbonylContact C-O 3.55Å; G465-L499 VanDerWaalsContact CA-O 3.31Å; G465-L499 WeakPolarHBondContact CA-O 3.39Å |
| 466 | V | 93.3 | Very high | 86 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152.5 | -174.5 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | I450 A451 V463 L499 L501 | I450-V466 CarbonylContact O-C 3.52Å; I450-V466 VanDerWaalsContact O-CA 3.31Å; I450-V466 WeakPolarHBondContact O-CA 3.4Å; A451-V466 HydrophobicContact CB-CG1 3.81Å; V463-V466 HydrophobicContact CG1-CG1 3.92Å; V466-L499 PolarHBondContact N-O 3.17Å; V466-L499 PolarHBondContact O-N 3.02Å; V466-L501 HydrophobicContact CG1-CB 4.36Å; V466-L501 HydrophobicContact CG1-CD1 3.96Å; V466-L501 HydrophobicContact CG2-CD1 4.35Å |
| 467 | C | 92.7 | Very high | 86.2 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 161.9 | 161.6 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | I450 H496 | I450-C467 PolarHBondContact N-O 2.77Å; I450-C467 PolarHBondContact O-N 2.84Å; C467-H496 HydrophobicContact CB-CB 4.18Å |
| 468 | R | 92.8 | Very high | 87 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.2 | 179.8 | -83.3 | 173.2 | 151.1 | -116 | 1.9 | 109.4 | L448 D472 A473 G477 | L448-R468 WeakPolarHBondContact O-CA 3.48Å; R468-D472 IonicContact NH1-OD2 2.63Å; R468-D472 PolarHBondContact NH1-OD2 2.94Å; R468-A473 HydrophobicContact CB-CB 4.4Å; R468-G477 VanDerWaalsContact O-CA 3.22Å; R468-G477 WeakPolarHBondContact O-CA 3.41Å |
| 469 | T | 93.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.8 | 170.4 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | F369 L371 S447 L448 G477 | F369-T469 HydrophobicContact CE2-CG2 3.9Å; F369-T469 HydrophobicContact CZ-CG2 3.58Å; L371-T469 HydrophobicContact CD1-CG2 4.36Å; S447-T469 CarbonylContact C-O 3.5Å; S447-T469 WeakPolarHBondContact CA-O 3.35Å; S447-T469 WeakPolarHBondContact CB-O 3.47Å; L448-T469 PolarHBondContact N-O 3.12Å; L448-T469 PolarHBondContact O-N 3.25Å; T469-G477 WeakPolarHBondContact CA-O 3.49Å; T469-G477 WeakPolarHBondContact CB-O 3.33Å; T469-G477 WeakPolarHBondContact CG2-O 3.45Å |
| 470 | G | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.5 | 172.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D472 A473 | G470-D472 VanDerWaalsContact C-N 3.26Å; G470-D472 PolarHBondContact O-N 3.47Å; G470-A473 WeakPolarHBondContact O-CB 3.43Å; G470-A473 PolarHBondContact O-N 2.82Å |
| 471 | L | 88 | Confident | 89.7 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 36% | 0.356 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26.1 | 173.1 | -63.1 | -178.4 | 0 | 0 | 0 | 112.5 | D444 A473 N482 | D444-L471 HydrophobicContact CB-CD1 3.75Å; L471-A473 VanDerWaalsContact C-N 3.3Å; L471-N482 WeakPolarHBondContact CD2-OD1 2.95Å |
| 472 | D | 84.9 | Confident | 90.1 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.6 | 174.9 | 75 | -36.8 | 0 | 0 | 0 | 113.9 | S447 R468 G470 | S447-D472 WeakPolarHBondContact CB-OD1 3.44Å; S447-D472 PolarHBondContact OG-OD1 2.75Å; S447-D472 VanDerWaalsContact OG-OD1 3.12Å; S447-D472 PolarHBondContact OG-OD2 2.86Å; R468-D472 IonicContact NH1-OD2 2.63Å; R468-D472 PolarHBondContact NH1-OD2 2.94Å; G470-D472 VanDerWaalsContact C-N 3.26Å; G470-D472 PolarHBondContact O-N 3.47Å |
| 473 | A | 83.8 | Confident | 90.4 | Very high | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | trans | -83.6 | 162.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R468 G470 L471 R478 | R468-A473 HydrophobicContact CB-CB 4.4Å; G470-A473 WeakPolarHBondContact O-CB 3.43Å; G470-A473 PolarHBondContact O-N 2.82Å; L471-A473 VanDerWaalsContact C-N 3.3Å; A473-R478 HydrophobicContact CB-CB 4.44Å; A473-R478 WeakPolarHBondContact O-CB 3.46Å | ||
| 474 | E | 79.3 | Confident | 90.6 | Very high | 180 Ų | 180 | 45.9 Ų | 45.9 | 84% | 0.841 | 23% | 0.233 | S | C | * | . | trans | -109.2 | 154.9 | 175.2 | -66.6 | 179.2 | 175.7 | 0 | 0 | 110.9 | G477 | E474-G477 PolarHBondContact O-N 2.75Š| ||
| 475 | G | 85.9 | Confident | 90.7 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 43% | 0.433 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -137.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G477 R478 D479 | G475-G477 PolarHBondContact O-N 2.58Å; G475-R478 WeakPolarHBondContact O-CB 3.22Å; G475-R478 PolarHBondContact O-N 2.84Å; G475-D479 PolarHBondContact O-N 3.05Å |
| 476 | L | 87 | Confident | 90.8 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -50.6 | -31.1 | -177 | -63.4 | 174.7 | 0 | 0 | 0 | 113.8 | R478 D479 H480 H496 | L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.34Å; L476-D479 PolarHBondContact O-N 3.29Å; L476-H480 WeakPolarHBondContact O-CB 3.34Å; L476-H480 PolarHBondContact O-N 3.17Å; L476-H496 PolarHBondContact O-CE1 2.87Å |
| 477 | G | 88.9 | Confident | 90.8 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R468 T469 E474 G475 | R468-G477 VanDerWaalsContact O-CA 3.22Å; R468-G477 WeakPolarHBondContact O-CA 3.41Å; T469-G477 WeakPolarHBondContact CA-O 3.49Å; T469-G477 WeakPolarHBondContact CB-O 3.33Å; T469-G477 WeakPolarHBondContact CG2-O 3.45Å; E474-G477 PolarHBondContact O-N 2.75Å; G475-G477 PolarHBondContact O-N 2.58Å |
| 478 | R | 91.9 | Very high | 90.6 | Very high | 114 Ų | 114 | 59.7 Ų | 59.7 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -80.4 | -40.7 | 176.9 | -169.6 | 179.5 | 62.9 | -171 | -3 | 111.6 | A473 G475 L476 H480 W481 N482 | A473-R478 HydrophobicContact CB-CB 4.44Å; A473-R478 WeakPolarHBondContact O-CB 3.46Å; G475-R478 WeakPolarHBondContact O-CB 3.22Å; G475-R478 PolarHBondContact O-N 2.84Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.34Å; R478-H480 PolarHBondContact O-N 2.98Å; R478-W481 WeakPolarHBondContact O-CB 3.44Å; R478-W481 PolarHBondContact O-N 2.89Å; R478-W481 VanDerWaalsContact O-N 3.13Å; R478-N482 PolarHBondContact O-N 3.03Å |
| 479 | D | 91.8 | Very high | 90.5 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | -177 | -58.4 | -24.6 | 0 | 0 | 0 | 111.2 | G475 L476 W481 N482 E483 | G475-D479 PolarHBondContact O-N 3.05Å; L476-D479 PolarHBondContact O-N 3.29Å; D479-W481 VanDerWaalsContact C-N 3.32Å; D479-W481 PolarHBondContact O-N 3.29Å; D479-N482 PolarHBondContact O-N 3.27Å; D479-E483 WeakPolarHBondContact O-CB 3.27Å; D479-E483 PolarHBondContact O-N 3.28Å |
| 480 | H | 94.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 171.9 | -173.2 | -173.6 | 0 | 0 | 0 | 112.4 | F369 L476 R478 M484 I492 H494 H496 | F369-H480 AromaticContact CD2-CE1 3.7Å; F369-H480 AromaticContact CE2-CE1 3.4Å; F369-H480 WeakPolarHBondContact CE2-CE1 3.41Å; F369-H480 AromaticContact CE2-ND1 3.44Å; F369-H480 WeakPolarHBondContact CE2-ND1 3.39Å; F369-H480 AromaticContact CZ-ND1 3.75Å; F369-H480 PolarHBondContact O-CE1 3.12Å; L476-H480 WeakPolarHBondContact O-CB 3.34Å; L476-H480 PolarHBondContact O-N 3.17Å; R478-H480 PolarHBondContact O-N 2.98Å; H480-M484 WeakPolarHBondContact O-CB 3.23Å; H480-M484 PolarHBondContact O-N 3.15Å; H480-M484 VanDerWaalsContact O-N 3.1Å; H480-I492 PolarHBondContact NE2-O 3.22Å; H480-H494 AromaticContact CD2-CD2 3.56Å; H480-H494 AromaticContact CG-CD2 3.74Å; H480-H496 AromaticContact CE1-NE2 3.98Å; H480-H496 AromaticContact CG-NE2 3.74Å; H480-H496 AromaticContact ND1-CD2 3.94Å; H480-H496 AromaticContact ND1-CE1 3.75Å; H480-H496 AromaticContact ND1-NE2 3.03Å; H480-H496 PolarHBondContact ND1-NE2 3.47Å |
| 481 | W | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.5 | -45 | 176.9 | -170.2 | -92.6 | 0 | 0 | 0 | 111.6 | L371 M380 V443 V446 L448 R478 D479 E483 M484 L485 | L371-W481 HydrophobicContact CD1-CE3 4.16Å; M380-W481 HydrophobicContact CE-CH2 3.78Å; M380-W481 HydrophobicContact CE-CZ2 4.25Å; M380-W481 HydrophobicContact CE-CZ3 4.13Å; V443-W481 HydrophobicContact CG2-CZ2 4.45Å; V446-W481 HydrophobicContact CG2-CH2 4.2Å; V446-W481 HydrophobicContact CG2-CZ2 4.12Å; L448-W481 HydrophobicContact CD1-CZ3 3.95Å; L448-W481 HydrophobicContact CG-CZ3 3.98Å; R478-W481 WeakPolarHBondContact O-CB 3.44Å; R478-W481 PolarHBondContact O-N 2.89Å; R478-W481 VanDerWaalsContact O-N 3.13Å; D479-W481 VanDerWaalsContact C-N 3.32Å; D479-W481 PolarHBondContact O-N 3.29Å; W481-E483 PolarHBondContact O-N 3.09Å; W481-M484 HydrophobicContact CD2-CE 3.62Å; W481-M484 HydrophobicContact CE3-CE 3.83Å; W481-M484 HydrophobicContact CE3-SD 4.4Å; W481-M484 HydrophobicContact CG-CE 4.04Å; W481-M484 HydrophobicContact CH2-CE 4.4Å; W481-M484 HydrophobicContact CZ2-CE 4.21Å; W481-M484 HydrophobicContact CZ3-CE 4.22Å; W481-M484 WeakPolarHBondContact O-CB 3.47Å; W481-M484 WeakPolarHBondContact O-CE 3.21Å; W481-M484 PolarHBondContact O-N 2.78Å; W481-L485 WeakPolarHBondContact O-CG 3.5Å; W481-L485 PolarHBondContact O-N 2.75Å |
| 482 | N | 94.4 | Very high | 91.1 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.9 | -70.8 | -18.1 | 0 | 0 | 0 | 112.1 | L471 R478 D479 L485 A486 | L471-N482 WeakPolarHBondContact CD2-OD1 2.95Å; R478-N482 PolarHBondContact O-N 3.03Å; D479-N482 PolarHBondContact O-N 3.27Å; N482-L485 PolarHBondContact O-N 3.31Å; N482-A486 WeakPolarHBondContact O-CB 3.37Å; N482-A486 PolarHBondContact O-N 3.49Å |
| 483 | E | 94.5 | Very high | 91.6 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.1 | -171.4 | -179.9 | -179.5 | 0 | 0 | 112 | D479 W481 L485 A486 Y487 I492 H494 | D479-E483 WeakPolarHBondContact O-CB 3.27Å; D479-E483 PolarHBondContact O-N 3.28Å; W481-E483 PolarHBondContact O-N 3.09Å; E483-L485 PolarHBondContact O-N 3.14Å; E483-A486 PolarHBondContact O-N 3.3Å; E483-Y487 HydrophobicContact CG-CD2 3.71Å; E483-Y487 HydrophobicContact CG-CE2 3.95Å; E483-Y487 WeakPolarHBondContact O-CD2 3.23Å; E483-Y487 PolarHBondContact O-N 2.98Å; E483-I492 HydrophobicContact CB-CG2 4.22Å; E483-I492 VanDerWaalsContact CD-CG2 3.47Å; E483-I492 HydrophobicContact CG-CD1 4.14Å; E483-I492 HydrophobicContact CG-CG1 4.1Å; E483-I492 HydrophobicContact CG-CG2 3.87Å; E483-I492 WeakPolarHBondContact OE2-CG2 3.49Å; E483-H494 IonicContact OE2-CD2 2.68Å; E483-H494 IonicContact OE2-CE1 2.94Å; E483-H494 IonicContact OE2-NE2 2.84Å; E483-H494 PolarHBondContact OE2-NE2 3.15Å |
| 484 | M | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 173.5 | 171.1 | -150.7 | 67.6 | 0 | 0 | 112.3 | L371 M380 H480 W481 Y487 I492 | L371-M484 HydrophobicContact CB-CB 4.11Å; L371-M484 HydrophobicContact CB-CG 3.85Å; L371-M484 HydrophobicContact CB-SD 3.61Å; L371-M484 HydrophobicContact CD1-SD 4.05Å; L371-M484 HydrophobicContact CG-SD 4.34Å; M380-M484 HydrophobicContact CE-CE 3.48Å; M380-M484 VanDerWaalsContact CE-CE 3.48Å; M380-M484 HydrophobicContact CE-SD 3.41Å; M380-M484 WeakPolarHBondContact CE-SD 3.21Å; M380-M484 HydrophobicContact SD-CE 4.25Å; M380-M484 HydrophobicContact SD-SD 3.32Å; H480-M484 WeakPolarHBondContact O-CB 3.23Å; H480-M484 PolarHBondContact O-N 3.15Å; H480-M484 VanDerWaalsContact O-N 3.1Å; W481-M484 HydrophobicContact CD2-CE 3.62Å; W481-M484 HydrophobicContact CE3-CE 3.83Å; W481-M484 HydrophobicContact CE3-SD 4.4Å; W481-M484 HydrophobicContact CG-CE 4.04Å; W481-M484 HydrophobicContact CH2-CE 4.4Å; W481-M484 HydrophobicContact CZ2-CE 4.21Å; W481-M484 HydrophobicContact CZ3-CE 4.22Å; W481-M484 WeakPolarHBondContact O-CB 3.47Å; W481-M484 WeakPolarHBondContact O-CE 3.21Å; W481-M484 PolarHBondContact O-N 2.78Å; M484-Y487 CarbonylContact O-C 3.46Å; M484-I492 HydrophobicContact CB-CG1 4.49Å |
| 485 | L | 93.4 | Very high | 92.6 | Very high | 32 Ų | 32 | 66.1 Ų | 66.1 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.5 | -37.1 | 175.2 | -68.2 | 177.8 | 0 | 0 | 0 | 112 | Y373 V443 W481 N482 E483 Y487 H488 | Y373-L485 HydrophobicContact CD1-CD2 4.19Å; V443-L485 HydrophobicContact CG1-CD1 4.44Å; V443-L485 HydrophobicContact CG1-CD2 3.88Å; V443-L485 HydrophobicContact CG2-CD2 4.36Å; W481-L485 WeakPolarHBondContact O-CG 3.5Å; W481-L485 PolarHBondContact O-N 2.75Å; N482-L485 PolarHBondContact O-N 3.31Å; E483-L485 PolarHBondContact O-N 3.14Å; L485-Y487 VanDerWaalsContact C-N 3.33Å; L485-Y487 PolarHBondContact O-N 3.42Å; L485-H488 PolarHBondContact O-CE1 3.48Å; L485-H488 PolarHBondContact O-ND1 2.99Å; L485-H488 PolarHBondContact O-NE2 2.85Å |
| 486 | A | 93.8 | Very high | 92.8 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.1 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N482 E483 | N482-A486 WeakPolarHBondContact O-CB 3.37Å; N482-A486 PolarHBondContact O-N 3.49Å; E483-A486 PolarHBondContact O-N 3.3Å |
| 487 | Y | 92.6 | Very high | 92.9 | Very high | 120 Ų | 120 | 62.6 Ų | 62.6 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 57.3 | -174.9 | -61.5 | -60 | 0 | 0 | 0 | 113.6 | E483 M484 L485 R489 K490 I492 | E483-Y487 HydrophobicContact CG-CD2 3.71Å; E483-Y487 HydrophobicContact CG-CE2 3.95Å; E483-Y487 WeakPolarHBondContact O-CD2 3.23Å; E483-Y487 PolarHBondContact O-N 2.98Å; M484-Y487 CarbonylContact O-C 3.46Å; L485-Y487 VanDerWaalsContact C-N 3.33Å; L485-Y487 PolarHBondContact O-N 3.42Å; Y487-R489 PolarHBondContact O-N 3.14Å; Y487-K490 WeakPolarHBondContact O-CB 3.32Å; Y487-K490 PolarHBondContact O-N 2.9Å; Y487-I492 HydrophobicContact CD2-CD1 4.11Å; Y487-I492 HydrophobicContact CG-CD1 4.48Å |
| 488 | H | 89.1 | Confident | 93 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -35.9 | 136.7 | 170.1 | -61 | 108.3 | 0 | 0 | 0 | 114 | P375 L485 K490 | P375-H488 WeakPolarHBondContact CG-CD2 3.45Å; L485-H488 PolarHBondContact O-CE1 3.48Å; L485-H488 PolarHBondContact O-ND1 2.99Å; L485-H488 PolarHBondContact O-NE2 2.85Å; H488-K490 PolarHBondContact O-N 3.29Å; H488-K490 VanDerWaalsContact O-N 3.11Å |
| 489 | R | 90.4 | Very high | 92.7 | Very high | 163 Ų | 163 | 61.7 Ų | 61.7 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -4.1 | -179.8 | -42.5 | -178 | 175.6 | -177.9 | -3.3 | 116 | C372 Y373 L374 T376 Y487 | C372-R489 VanDerWaalsContact SG-C 3.55Å; Y373-R489 PolarHBondContact O-N 2.83Å; L374-R489 HydrophobicContact CG-CG 4.31Å; T376-R489 PolarHBondContact OG1-NH2 3.09Å; Y487-R489 PolarHBondContact O-N 3.14Å |
| 490 | K | 93 | Very high | 92.3 | Very high | 127 Ų | 127 | 61.9 Ų | 61.9 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -93.9 | 134.2 | 169.8 | -62 | -172.5 | -177.7 | 175.3 | 0 | 110 | Y487 H488 I492 | Y487-K490 WeakPolarHBondContact O-CB 3.32Å; Y487-K490 PolarHBondContact O-N 2.9Å; H488-K490 PolarHBondContact O-N 3.29Å; H488-K490 VanDerWaalsContact O-N 3.11Å; K490-I492 HydrophobicContact CB-CD1 4.42Å; K490-I492 PolarHBondContact O-N 3.03Å |
| 491 | P | 95.5 | Very high | 91.1 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | trans | -75.1 | 108.4 | 169.2 | 30.1 | -31.3 | 0 | 0 | 0 | 109.8 | L371 C372 | L371-P491 WeakPolarHBondContact O-CA 3.28Å; C372-P491 HydrophobicContact CB-CB 4.27Å | ||
| 492 | I | 97 | Very high | 89 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 139.3 | 170.4 | -54.8 | -53.3 | 0 | 0 | 0 | 107.8 | S370 L371 H480 E483 M484 Y487 K490 | S370-I492 CarbonylContact C-O 3.57Å; S370-I492 WeakPolarHBondContact CA-O 3.45Å; S370-I492 VanDerWaalsContact CB-O 3.22Å; S370-I492 WeakPolarHBondContact CB-O 3.47Å; L371-I492 PolarHBondContact N-O 3.24Å; L371-I492 PolarHBondContact O-N 3.4Å; H480-I492 PolarHBondContact NE2-O 3.22Å; E483-I492 HydrophobicContact CB-CG2 4.22Å; E483-I492 VanDerWaalsContact CD-CG2 3.47Å; E483-I492 HydrophobicContact CG-CD1 4.14Å; E483-I492 HydrophobicContact CG-CG1 4.1Å; E483-I492 HydrophobicContact CG-CG2 3.87Å; E483-I492 WeakPolarHBondContact OE2-CG2 3.49Å; M484-I492 HydrophobicContact CB-CG1 4.49Å; Y487-I492 HydrophobicContact CD2-CD1 4.11Å; Y487-I492 HydrophobicContact CG-CD1 4.48Å; K490-I492 HydrophobicContact CB-CD1 4.42Å; K490-I492 PolarHBondContact O-N 3.03Å |
| 493 | T | 96.4 | Very high | 86.6 | Confident | 63 Ų | 63 | 72 Ų | 72 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.4 | -174.3 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | M368 S370 I385 | M368-T493 HydrophobicContact CG-CG2 3.77Å; M368-T493 HydrophobicContact SD-CG2 3.93Å; S370-T493 WeakPolarHBondContact CB-OG1 3.38Å; I385-T493 HydrophobicContact CD1-CG2 3.56Å |
| 494 | H | 92.3 | Very high | 83.9 | Confident | 73 Ų | 73 | 76.3 Ų | 76.3 | 34% | 0.338 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.6 | 179.4 | -78.1 | -61.1 | 0 | 0 | 0 | 112.6 | M368 F369 H480 E483 | M368-H494 WeakPolarHBondContact CA-O 3.5Å; F369-H494 PolarHBondContact N-O 3.04Å; F369-H494 PolarHBondContact O-N 3.16Å; H480-H494 AromaticContact CD2-CD2 3.56Å; H480-H494 AromaticContact CG-CD2 3.74Å; E483-H494 IonicContact OE2-CD2 2.68Å; E483-H494 IonicContact OE2-CE1 2.94Å; E483-H494 IonicContact OE2-NE2 2.84Å; E483-H494 PolarHBondContact OE2-NE2 3.15Å |
| 495 | W | 91.8 | Very high | 80.9 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 25% | 0.254 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 140.8 | 163.1 | -75.8 | 108 | 0 | 0 | 0 | 109.7 | E366 M368 K386 R388 | E366-W495 HydrophobicContact CB-CE3 3.8Å; E366-W495 HydrophobicContact CB-CZ3 4.15Å; M368-W495 HydrophobicContact CB-CD2 3.95Å; M368-W495 HydrophobicContact CB-CE3 3.69Å; M368-W495 HydrophobicContact CB-CH2 4.15Å; M368-W495 HydrophobicContact CB-CZ2 4.41Å; M368-W495 HydrophobicContact CB-CZ3 3.78Å; M368-W495 HydrophobicContact CE-CD2 4.03Å; M368-W495 HydrophobicContact CE-CG 4.48Å; M368-W495 HydrophobicContact CE-CH2 4.26Å; M368-W495 HydrophobicContact CE-CZ2 3.5Å; M368-W495 VanDerWaalsContact CE-CZ2 3.5Å; K386-W495 HydrophobicContact CD-CH2 4.29Å; K386-W495 HydrophobicContact CG-CH2 4.04Å; R388-W495 HydrophobicContact CB-CH2 4.09Å; R388-W495 HydrophobicContact CB-CZ3 4.37Å; R388-W495 HydrophobicContact CG-CH2 3.64Å; R388-W495 HydrophobicContact CG-CZ2 4.44Å; R388-W495 HydrophobicContact CG-CZ3 3.7Å |
| 496 | H | 90.8 | Very high | 78 | Confident | 5 Ų | 5 | 84.2 Ų | 84.2 | 2% | 0.023 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.5 | 174.9 | -71.9 | -103.4 | 0 | 0 | 0 | 108.6 | E366 I367 F369 C467 L476 H480 | E366-H496 WeakPolarHBondContact CA-O 3.43Å; I367-H496 HydrophobicContact CG2-CB 4.1Å; I367-H496 PolarHBondContact N-O 3.35Å; I367-H496 PolarHBondContact O-N 3.17Å; F369-H496 HydrophobicContact CE1-CB 3.94Å; F369-H496 AromaticContact CE1-CD2 3.37Å; F369-H496 WeakPolarHBondContact CE1-CD2 3.22Å; F369-H496 AromaticContact CE1-CG 3.55Å; F369-H496 AromaticContact CZ-CD2 3.51Å; F369-H496 AromaticContact CZ-CG 3.8Å; F369-H496 AromaticContact CZ-NE2 3.72Å; C467-H496 HydrophobicContact CB-CB 4.18Å; L476-H496 PolarHBondContact O-CE1 2.87Å; H480-H496 AromaticContact CE1-NE2 3.98Å; H480-H496 AromaticContact CG-NE2 3.74Å; H480-H496 AromaticContact ND1-CD2 3.94Å; H480-H496 AromaticContact ND1-CE1 3.75Å; H480-H496 AromaticContact ND1-NE2 3.03Å; H480-H496 PolarHBondContact ND1-NE2 3.47Å |
| 497 | P | 87.8 | Confident | 75.1 | Confident | 63 Ų | 63 | 84 Ų | 84 | 41% | 0.409 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 146.9 | 169.6 | 29.4 | -33.8 | 0 | 0 | 0 | 109.9 | ||
| 498 | L | 90.8 | Very high | 72.2 | Confident | 8 Ų | 8 | 87.5 Ų | 87.5 | 4% | 0.042 | 47% | 0.473 | C | S | . | . | trans | -89.7 | 131.4 | 173.5 | -62.3 | 173 | 0 | 0 | 0 | 109.2 | L364 G365 I367 L390 V452 | L364-L498 HydrophobicContact CB-CB 3.83Å; G365-L498 VanDerWaalsContact O-CB 3.29Å; G365-L498 WeakPolarHBondContact O-CB 3.44Å; G365-L498 WeakPolarHBondContact O-CG 3.48Å; G365-L498 PolarHBondContact O-N 3Å; I367-L498 HydrophobicContact CB-CD2 4.21Å; I367-L498 HydrophobicContact CG2-CD2 3.68Å; I367-L498 HydrophobicContact CG2-CG 4.45Å; L390-L498 HydrophobicContact CD2-CD1 3.44Å; L390-L498 VanDerWaalsContact CD2-CD1 3.44Å; V452-L498 HydrophobicContact CB-CD1 4.02Å; V452-L498 HydrophobicContact CB-CD2 4.45Å; V452-L498 HydrophobicContact CG2-CD1 3.68Å; V452-L498 HydrophobicContact CG2-CD2 3.62Å; V452-L498 HydrophobicContact CG2-CG 4.32Å | ||
| 499 | L | 87 | Confident | 69.4 | Low | 91 Ų | 91 | 90.3 Ų | 90.3 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -109.1 | 158.5 | 177.7 | -56.4 | 176.8 | 0 | 0 | 0 | 109.9 | G465 V466 | G465-L499 CarbonylContact C-O 3.55Å; G465-L499 VanDerWaalsContact CA-O 3.31Å; G465-L499 WeakPolarHBondContact CA-O 3.39Å; V466-L499 PolarHBondContact N-O 3.17Å; V466-L499 PolarHBondContact O-N 3.02Å |
| 500 | E | 82.6 | Confident | 66.8 | Low | 82 Ų | 82 | 87.9 Ų | 87.9 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | trans | -67.6 | 151 | 172.7 | -61.7 | -163.8 | 151.5 | 0 | 0 | 110.5 | T359 L364 K391 P502 | T359-E500 HydrophobicContact CG2-CB 3.65Å; T359-E500 HydrophobicContact CG2-CG 3.81Å; T359-E500 WeakPolarHBondContact CG2-OE2 3.36Å; L364-E500 HydrophobicContact CD1-CB 4.43Å; L364-E500 HydrophobicContact CD1-CG 3.68Å; L364-E500 HydrophobicContact CD2-CG 4.42Å; K391-E500 IonicContact NZ-OE1 2.74Å; E500-P502 WeakPolarHBondContact O-CD 3.38Å | ||
| 501 | L | 70.1 | Confident | 64 | Low | 82 Ų | 82 | 91 Ų | 91 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | trans | -69.2 | 115.6 | -178.4 | 178.6 | 71.8 | 0 | 0 | 0 | 110.2 | V466 G503 | V466-L501 HydrophobicContact CG1-CB 4.36Å; V466-L501 HydrophobicContact CG1-CD1 3.96Å; V466-L501 HydrophobicContact CG2-CD1 4.35Å; L501-G503 PolarHBondContact O-N 3.26Å | ||
| 502 | P | 51 | Low | 61 | Low | 116 Ų | 116 | 90 Ų | 90 | 75% | 0.753 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 124.5 | 177.3 | -18 | 32.6 | 0 | 0 | 0 | 110.1 | E500 | E500-P502 WeakPolarHBondContact O-CD 3.38Š|
| 503 | G | 43.8 | Very low | 58 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 88% | 0.876 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.9 | 34.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | L501 | L501-G503 PolarHBondContact O-N 3.26Š|
| 504 | R | 37.8 | Very low | 55.2 | Low | 157 Ų | 157 | 97.7 Ų | 97.7 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | trans | -125.2 | 71.7 | 162.8 | -159.6 | 179.9 | -175.4 | -178.1 | 1.1 | 112.7 | S507 | R504-S507 PolarHBondContact NE-OG 3.23Å; R504-S507 PolarHBondContact NH2-OG 3.33Å | ||
| 505 | A | 31.6 | Very low | 52.5 | Low | 90 Ų | 90 | 100 Ų | 100 | 74% | 0.744 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -54 | 137.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S507 | A505-S507 PolarHBondContact O-N 2.68Š|
| 506 | T | 33 | Very low | 50 | Low | 108 Ų | 108 | 102.2 Ų | 102.2 | 66% | 0.663 | 63% | 0.625 | S | S | * | * | trans | 3 | 107.8 | 168.9 | 54 | 0 | 0 | 0 | 0 | 116.6 | F263 F508 | F263-T506 HydrophobicContact CZ-CG2 4.12Å; T506-F508 PolarHBondContact O-N 3.05Å | ||
| 507 | S | 32.1 | Very low | 47.6 | Very low | 66 Ų | 66 | 108 Ų | 108 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | trans | -74.1 | 103.8 | 170 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | R504 A505 | R504-S507 PolarHBondContact NE-OG 3.23Å; R504-S507 PolarHBondContact NH2-OG 3.33Å; A505-S507 PolarHBondContact O-N 2.68Å | ||
| 508 | F | 33.1 | Very low | 45.5 | Very low | 192 Ų | 192 | 114.5 Ų | 114.5 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | trans | -129.3 | 106.2 | 134.3 | -100.2 | -88 | 0 | 0 | 0 | 107.2 | T506 | T506-F508 PolarHBondContact O-N 3.05Š| ||
| 509 | D | 30.6 | Very low | 43.6 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -154.8 | 112.3 | 149.8 | -113.8 | -24 | 0 | 0 | 0 | 110.4 | Q511 | D509-Q511 PolarHBondContact O-N 3.19Š| ||
| 510 | S | 35.7 | Very low | 41.7 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -74.4 | 97.9 | 170.7 | -64.1 | 0 | 0 | 0 | 0 | 108 | G512 | S510-G512 PolarHBondContact O-N 3.41Š| ||
| 511 | Q | 34 | Very low | 39.9 | Very low | 192 Ų | 192 | 122.8 Ų | 122.8 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 82.7 | 170 | -75.5 | -158.9 | -14.4 | 0 | 0 | 111 | D509 | D509-Q511 PolarHBondContact O-N 3.19Š| ||
| 512 | G | 32.4 | Very low | 38.9 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 122 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S510 | S510-G512 PolarHBondContact O-N 3.41Š| ||
| 513 | S | 33.1 | Very low | 39.1 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 44 | 102.7 | 153.4 | -55.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 514 | C | 38 | Very low | 38.9 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140.8 | 161.5 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 515 | P | 35.6 | Very low | 39 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 142 | 167.7 | 31.7 | -33.2 | 0 | 0 | 0 | 111.2 | ||
| 516 | S | 38.5 | Very low | 39.4 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.6 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 517 | P | 42.3 | Very low | 39.8 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137.4 | 176.1 | 26.6 | -31.6 | 0 | 0 | 0 | 111.4 | ||
| 518 | K | 43.8 | Very low | 40.2 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.1 | 170.5 | -70.5 | -179.3 | 177.5 | 178.5 | 0 | 110 | ||
| 519 | P | 49.2 | Very low | 40.7 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 154.3 | 170.8 | 30 | -34.6 | 0 | 0 | 0 | 111 | ||
| 520 | P | 47.8 | Very low | 41.4 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 147.1 | 179.3 | 29.6 | -35.1 | 0 | 0 | 0 | 111.7 | T522 | P520-T522 PolarHBondContact O-N 3.37Š|
| 521 | S | 45.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | trans | -70.4 | 116 | 167.9 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 522 | T | 47.8 | Very low | 42.5 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -62.1 | 156.5 | 161 | 28.4 | 0 | 0 | 0 | 0 | 111.4 | P520 | P520-T522 PolarHBondContact O-N 3.37Š| ||
| 523 | P | 56.5 | Low | 43.5 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 100% | 1.299 | 85% | 0.854 | S | S | * | * | trans | -68.5 | 0 | -164.6 | 29.3 | -37.8 | 0 | 0 | 0 | 115 |
Retrieved 523 of 523 residues in 81.9 ms
(Link to these results)