| 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 | 27.3 | Very low | 34.8 | Very low | 245 Ų | 245 | 151.7 Ų | 151.7 | 100% | 1.207 | 87% | 0.872 | S | S | * | * | 0 | 153.1 | 0 | -73.6 | 177.7 | 175 | 0 | 0 | 108.8 | |||||
| 2 | P | 47.7 | Very low | 34.4 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 86% | 0.864 | S | S | * | * | trans | -129.7 | 179.7 | -139.1 | 41.3 | -27.7 | 0 | 0 | 0 | 118.1 | ||||
| 3 | R | 32.8 | Very low | 34.4 | Very low | 236 Ų | 236 | 141.2 Ų | 141.2 | 89% | 0.891 | 86% | 0.856 | S | S | * | * | trans | 98.1 | 153.5 | 168.1 | -66.1 | -169.7 | 171.5 | -167.3 | -1.7 | 116.4 | ||||
| 4 | P | 46 | Very low | 34.4 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 86% | 0.861 | S | S | * | * | cis | -99.1 | -154.4 | 1.2 | 37.9 | -26.2 | 0 | 0 | 0 | 112.4 | ||||
| 5 | C | 30.8 | Very low | 34.6 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 76% | 0.757 | 86% | 0.861 | S | S | * | * | cis | -154.1 | -155.2 | 10.1 | -146.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 6 | L | 34.5 | Very low | 34.6 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 79% | 0.791 | 86% | 0.859 | S | S | * | * | trans | -65.3 | 152.6 | -175.2 | -84.9 | 73.7 | 0 | 0 | 0 | 117.8 | ||||
| 7 | L | 32.2 | Very low | 34.5 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 94% | 0.942 | 85% | 0.852 | S | S | * | * | -162.4 | 164.7 | 110.1 | -125.1 | 111 | 0 | 0 | 0 | 113.1 | |||||
| 8 | A | 33.1 | Very low | 34.8 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | trans | -89.3 | 158.8 | -167 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 9 | A | 32.4 | Very low | 35 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -115.2 | 134.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 10 | L | 33.6 | Very low | 35.1 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -130.4 | 149 | -178.7 | -98.9 | 163.4 | 0 | 0 | 0 | 111.1 | ||||
| 11 | C | 32.8 | Very low | 35.5 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 91% | 0.912 | 84% | 0.839 | S | S | * | * | trans | -41.6 | 149.1 | -177.8 | -90.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 12 | G | 29.3 | Very low | 36.2 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -169.5 | 95.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 13 | A | 34.6 | Very low | 36.4 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | 44.2 | 109.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | L15 | A13-L15 PolarHBondContact O-N 3.2Š| ||
| 14 | L | 34.8 | Very low | 37.6 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -71 | 119.9 | 147.4 | -97.2 | 76.5 | 0 | 0 | 0 | 109.1 | ||||
| 15 | L | 36.7 | Very low | 38.5 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -87.5 | 114.8 | 164 | -80.5 | 164.8 | 0 | 0 | 0 | 109.3 | A13 A17 | A13-L15 PolarHBondContact O-N 3.2Å; L15-A17 PolarHBondContact O-N 3.07Å | ||
| 16 | C | 34.7 | Very low | 40.3 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -67.1 | 113.1 | 164.2 | -72.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 17 | A | 33.9 | Very low | 42.2 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -67.4 | 125.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | L15 S19 | L15-A17 PolarHBondContact O-N 3.07Å; A17-S19 PolarHBondContact O-N 3.22Å | ||
| 18 | P | 39.8 | Very low | 44.2 | Very low | 109 Ų | 109 | 112.6 Ų | 112.6 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 124.2 | 171.6 | 27.2 | -31.9 | 0 | 0 | 0 | 107.9 | L20 | P18-L20 PolarHBondContact O-N 3.3Š| ||
| 19 | S | 38.3 | Very low | 46.3 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | -58 | 107.1 | 169.9 | 47.6 | 0 | 0 | 0 | 0 | 108.6 | A17 L21 | A17-S19 PolarHBondContact O-N 3.22Å; S19-L21 PolarHBondContact O-N 2.89Å | ||
| 20 | L | 37.5 | Very low | 48.4 | Very low | 150 Ų | 150 | 115.8 Ų | 115.8 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -58.9 | 104.1 | 166.5 | -101.2 | 76.9 | 0 | 0 | 0 | 107.2 | P18 V22 | P18-L20 PolarHBondContact O-N 3.3Å; L20-V22 PolarHBondContact O-N 3.21Å | ||
| 21 | L | 42.6 | Very low | 50.6 | Low | 167 Ų | 167 | 109.3 Ų | 109.3 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | trans | -61.5 | 91 | 151.1 | -88 | 149.7 | 0 | 0 | 0 | 105.8 | S19 A23 | S19-L21 PolarHBondContact O-N 2.89Å; L21-A23 PolarHBondContact O-N 2.99Å | ||
| 22 | V | 43 | Very low | 53 | Low | 111 Ų | 111 | 103.3 Ų | 103.3 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | trans | -58.7 | 110.3 | 163.6 | 176.6 | 0 | 0 | 0 | 0 | 105.1 | L20 L24 | L20-V22 PolarHBondContact O-N 3.21Å; V22-L24 PolarHBondContact O-N 3.12Å | ||
| 23 | A | 52 | Low | 55.4 | Low | 89 Ų | 89 | 105 Ų | 105 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | trans | -56.3 | 112.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | L21 D25 | L21-A23 PolarHBondContact O-N 2.99Å; A23-D25 VanDerWaalsContact C-N 3.33Å; A23-D25 PolarHBondContact O-N 2.63Å | ||
| 24 | L | 56.8 | Low | 57.5 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 75% | 0.754 | 60% | 0.602 | S | S | * | * | trans | -64.9 | 100.2 | 170.2 | -87.9 | 145.1 | 0 | 0 | 0 | 106.2 | V22 I26 | V22-L24 PolarHBondContact O-N 3.12Å; L24-I26 WeakPolarHBondContact O-CG1 3.29Å; L24-I26 PolarHBondContact O-N 2.83Å | ||
| 25 | D | 64.8 | Low | 59.4 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | trans | -56.9 | 106.2 | 163.2 | 168.9 | -3.7 | 0 | 0 | 0 | 106.6 | A23 C27 S28 E40 | A23-D25 VanDerWaalsContact C-N 3.33Å; A23-D25 PolarHBondContact O-N 2.63Å; D25-C27 VanDerWaalsContact C-N 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.23Å; D25-C27 PolarHBondContact OD1-N 3.29Å; D25-S28 WeakPolarHBondContact O-CB 3.34Å; D25-S28 PolarHBondContact O-N 2.54Å; D25-S28 PolarHBondContact OD1-N 3.21Å; D25-E40 WeakPolarHBondContact CA-OE1 3.38Å | ||
| 26 | I | 68.3 | Low | 61.6 | Low | 54 Ų | 54 | 90.4 Ų | 90.4 | 28% | 0.277 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -73.2 | -29.8 | -173.7 | -60.4 | 176.5 | 0 | 0 | 0 | 109 | L24 S28 P31 E40 P51 Y53 | L24-I26 WeakPolarHBondContact O-CG1 3.29Å; L24-I26 PolarHBondContact O-N 2.83Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.7Å; I26-P31 HydrophobicContact CG2-CG 4.37Å; I26-P31 WeakPolarHBondContact O-CD 3.07Å; I26-E40 PolarHBondContact N-OE1 3.06Å; I26-P51 HydrophobicContact CD1-CB 4.18Å; I26-P51 HydrophobicContact CD1-CG 3.89Å; I26-P51 WeakPolarHBondContact CD1-O 3.48Å; I26-Y53 HydrophobicContact CB-CD1 4.41Å; I26-Y53 HydrophobicContact CD1-CD1 4.46Å; I26-Y53 HydrophobicContact CG2-CD1 3.45Å; I26-Y53 VanDerWaalsContact CG2-CD1 3.45Å; I26-Y53 HydrophobicContact CG2-CE1 3.78Å; I26-Y53 HydrophobicContact CG2-CG 4.02Å |
| 27 | C | 74.8 | Confident | 63.9 | Low | 28 Ų | 28 | 89.4 Ų | 89.4 | 19% | 0.189 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -77.4 | -12.2 | 176.4 | -66.4 | 0 | 0 | 0 | 0 | 113.8 | D25 K29 N30 C38 E40 | D25-C27 VanDerWaalsContact C-N 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.23Å; D25-C27 PolarHBondContact OD1-N 3.29Å; C27-K29 PolarHBondContact O-N 3.37Å; C27-K29 VanDerWaalsContact O-N 3.12Å; C27-N30 WeakPolarHBondContact O-CA 3.28Å; C27-N30 PolarHBondContact O-N 3.18Å; C27-C38 WeakPolarHBondContact CA-SG 3.49Å; C27-C38 HydrophobicContact CB-CB 3.64Å; C27-C38 WeakPolarHBondContact CB-SG 3.36Å; C27-C38 WeakPolarHBondContact SG-CB 3.36Å; C27-C38 CovalentContact SG-SG 2.04Å; C27-C38 PolarHBondContact SG-SG 2.82Å; C27-E40 HydrophobicContact CB-CG 4.26Å; C27-E40 VanDerWaalsContact SG-CG 3.52Å |
| 28 | S | 75.5 | Confident | 66.3 | Low | 89 Ų | 89 | 86 Ų | 86 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -53.9 | -33.9 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 114.3 | D25 I26 | D25-S28 WeakPolarHBondContact O-CB 3.34Å; D25-S28 PolarHBondContact O-N 2.54Å; D25-S28 PolarHBondContact OD1-N 3.21Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.7Å |
| 29 | K | 75.8 | Confident | 68.4 | Low | 200 Ų | 200 | 85.8 Ų | 85.8 | 87% | 0.87 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -100.7 | 0.9 | 174.1 | -74.8 | -170.8 | 176.2 | -179.4 | 0 | 114.5 | C27 | C27-K29 PolarHBondContact O-N 3.37Å; C27-K29 VanDerWaalsContact O-N 3.12Å |
| 30 | N | 77.1 | Confident | 70.4 | Confident | 66 Ų | 66 | 85 Ų | 85 | 35% | 0.353 | 47% | 0.471 | S | S | . | . | trans | 44.2 | 91.8 | -168.8 | -168.2 | 7.3 | 0 | 0 | 0 | 113.9 | C27 C32 G36 C38 | C27-N30 WeakPolarHBondContact O-CA 3.28Å; C27-N30 PolarHBondContact O-N 3.18Å; N30-C32 PolarHBondContact O-N 3.28Å; N30-C32 VanDerWaalsContact O-N 3.15Å; N30-C32 VanDerWaalsContact OD1-CB 3.27Å; N30-C32 WeakPolarHBondContact OD1-CB 3.46Å; N30-C32 PolarHBondContact OD1-N 3.02Å; N30-C32 VanDerWaalsContact OD1-N 3.16Å; N30-C32 PolarHBondContact OD1-SG 3.27Å; N30-C32 VanDerWaalsContact OD1-SG 3.35Å; N30-G36 PolarHBondContact ND2-O 2.85Å; N30-C38 WeakPolarHBondContact OD1-CB 3.2Å | ||
| 31 | P | 79.8 | Confident | 72 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 24% | 0.24 | 45% | 0.452 | C | S | . | . | trans | -67.6 | -8.1 | 177.7 | 29.4 | -37.1 | 0 | 0 | 0 | 114 | I26 Y53 | I26-P31 HydrophobicContact CG2-CG 4.37Å; I26-P31 WeakPolarHBondContact O-CD 3.07Å; P31-Y53 HydrophobicContact CB-CE2 3.75Å; P31-Y53 HydrophobicContact CG-CD2 3.59Å; P31-Y53 HydrophobicContact CG-CE1 4.3Å; P31-Y53 HydrophobicContact CG-CE2 3.21Å; P31-Y53 HydrophobicContact CG-CG 4.27Å | ||
| 32 | C | 82.3 | Confident | 72.8 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 6% | 0.061 | 44% | 0.443 | C | S | . | . | trans | -81.1 | 127.8 | -179.9 | -45.9 | 0 | 0 | 0 | 0 | 111.2 | N30 G36 C38 C55 H65 | N30-C32 PolarHBondContact O-N 3.28Å; N30-C32 VanDerWaalsContact O-N 3.15Å; N30-C32 VanDerWaalsContact OD1-CB 3.27Å; N30-C32 WeakPolarHBondContact OD1-CB 3.46Å; N30-C32 PolarHBondContact OD1-N 3.02Å; N30-C32 VanDerWaalsContact OD1-N 3.16Å; N30-C32 PolarHBondContact OD1-SG 3.27Å; N30-C32 VanDerWaalsContact OD1-SG 3.35Å; C32-G36 WeakPolarHBondContact CB-O 3.42Å; C32-C38 VanDerWaalsContact SG-CA 3.52Å; C32-C55 VanDerWaalsContact CA-SG 3.54Å; C32-C55 HydrophobicContact CB-CB 3.76Å; C32-C55 WeakPolarHBondContact CB-SG 3.48Å; C32-C55 WeakPolarHBondContact SG-CA 3.46Å; C32-C55 WeakPolarHBondContact SG-CB 3.39Å; C32-C55 CovalentContact SG-SG 2.03Å; C32-C55 PolarHBondContact SG-SG 3.41Å; C32-H65 CarbonylContact C-O 3.49Å | ||
| 33 | H | 80 | Confident | 73.3 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -76.2 | 169.7 | 175.6 | -66.3 | -77 | 0 | 0 | 0 | 112.5 | G35 G36 H65 C66 E67 | H33-G35 PolarHBondContact O-N 2.91Å; H33-G36 PolarHBondContact O-N 2.77Å; H33-H65 WeakPolarHBondContact CB-O 3.22Å; H33-H65 PolarHBondContact N-O 2.96Å; H33-C66 WeakPolarHBondContact O-CB 3.22Å; H33-E67 HydrophobicContact CB-CB 4.41Å |
| 34 | N | 78.8 | Confident | 73.4 | Confident | 75 Ų | 75 | 84 Ų | 84 | 40% | 0.401 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 26.5 | 171.7 | -59 | -45.6 | 0 | 0 | 0 | 115.6 | Y61 C66 E67 | N34-Y61 HydrophobicContact CB-CD1 3.49Å; N34-Y61 VanDerWaalsContact CB-CD1 3.49Å; N34-Y61 HydrophobicContact CB-CD2 4.26Å; N34-Y61 HydrophobicContact CB-CE1 3.52Å; N34-Y61 HydrophobicContact CB-CE2 4.27Å; N34-Y61 HydrophobicContact CB-CG 3.88Å; N34-Y61 VanDerWaalsContact CG-CE1 3.42Å; N34-Y61 WeakPolarHBondContact ND2-CD1 3.27Å; N34-C66 PolarHBondContact ND2-O 3.07Å; N34-E67 PolarHBondContact ND2-O 3.3Å |
| 35 | G | 75.2 | Confident | 72.9 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 11 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | H33 L58 | H33-G35 PolarHBondContact O-N 2.91Å; G35-L58 WeakPolarHBondContact O-CD1 3.3Å |
| 36 | G | 81.9 | Confident | 71.8 | Confident | 1 Ų | 1 | 89.7 Ų | 89.7 | 1% | 0.01 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 149.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N30 C32 H33 T56 | N30-G36 PolarHBondContact ND2-O 2.85Å; C32-G36 WeakPolarHBondContact CB-O 3.42Å; H33-G36 PolarHBondContact O-N 2.77Å; G36-T56 WeakPolarHBondContact CA-O 3.03Å |
| 37 | L | 84.3 | Confident | 70.7 | Confident | 101 Ų | 101 | 90.2 Ų | 90.2 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.1 | -177.1 | -177.6 | 141.5 | 0 | 0 | 0 | 110.3 | K39 T56 | L37-K39 HydrophobicContact CD2-CD 4.45Å; L37-K39 HydrophobicContact CD2-CG 3.83Å; L37-T56 PolarHBondContact N-O 3.42Å; L37-T56 PolarHBondContact O-N 2.84Å; L37-T56 PolarHBondContact O-OG1 2.71Å; L37-T56 VanDerWaalsContact O-OG1 3.13Å |
| 38 | C | 84.8 | Confident | 69.3 | Low | 18 Ų | 18 | 96.9 Ų | 96.9 | 12% | 0.122 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.1 | 177.2 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | C27 N30 C32 | C27-C38 WeakPolarHBondContact CA-SG 3.49Å; C27-C38 HydrophobicContact CB-CB 3.64Å; C27-C38 WeakPolarHBondContact CB-SG 3.36Å; C27-C38 WeakPolarHBondContact SG-CB 3.36Å; C27-C38 CovalentContact SG-SG 2.04Å; C27-C38 PolarHBondContact SG-SG 2.82Å; N30-C38 WeakPolarHBondContact OD1-CB 3.2Å; C32-C38 VanDerWaalsContact SG-CA 3.52Å |
| 39 | K | 83.3 | Confident | 68 | Low | 106 Ų | 106 | 97.2 Ų | 97.2 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.5 | 170.5 | -59.8 | -176.9 | -177.7 | 178.9 | 0 | 108.9 | L37 Y53 T54 T56 | L37-K39 HydrophobicContact CD2-CD 4.45Å; L37-K39 HydrophobicContact CD2-CG 3.83Å; K39-Y53 CarbonylContact O-C 3.58Å; K39-Y53 WeakPolarHBondContact O-CA 3.21Å; K39-T54 HydrophobicContact CB-CG2 4.05Å; K39-T54 PolarHBondContact N-O 2.93Å; K39-T54 PolarHBondContact O-N 3.21Å; K39-T56 HydrophobicContact CD-CG2 4.14Å |
| 40 | E | 79.1 | Confident | 66.8 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 137 | 172.2 | -59.8 | -161.3 | 137.4 | 0 | 0 | 110.5 | D25 I26 C27 | D25-E40 WeakPolarHBondContact CA-OE1 3.38Å; I26-E40 PolarHBondContact N-OE1 3.06Å; C27-E40 HydrophobicContact CB-CG 4.26Å; C27-E40 VanDerWaalsContact SG-CG 3.52Å |
| 41 | I | 72.9 | Confident | 65.7 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 90 | 170.1 | -55.1 | 173 | 0 | 0 | 0 | 106.6 | Q43 S52 T54 | I41-Q43 PolarHBondContact O-N 3.33Å; I41-Q43 VanDerWaalsContact O-N 3.15Å; I41-S52 WeakPolarHBondContact CA-O 3.28Å; I41-S52 WeakPolarHBondContact CB-O 3.34Å; I41-S52 PolarHBondContact N-O 2.8Å; I41-T54 HydrophobicContact CD1-CG2 3.98Å; I41-T54 HydrophobicContact CG1-CG2 4Å |
| 42 | S | 58.3 | Low | 65 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 68% | 0.678 | 52% | 0.523 | S | S | * | . | trans | -71.8 | 100.7 | 170.1 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | E44 | S42-E44 PolarHBondContact O-N 3.17Š| ||
| 43 | Q | 54.5 | Low | 64.8 | Low | 135 Ų | 135 | 100.3 Ų | 100.3 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | trans | -74.2 | 106.8 | 163.3 | -71.3 | -165.9 | -10 | 0 | 0 | 108.7 | I41 V45 | I41-Q43 PolarHBondContact O-N 3.33Å; I41-Q43 VanDerWaalsContact O-N 3.15Å; Q43-V45 PolarHBondContact O-N 2.85Å | ||
| 44 | E | 53.6 | Low | 64.7 | Low | 188 Ų | 188 | 98 Ų | 98 | 88% | 0.879 | 53% | 0.528 | S | S | * | . | trans | -72.7 | 49.2 | 177.7 | -65.2 | -169.1 | 142.3 | 0 | 0 | 113.2 | S42 | S42-E44 PolarHBondContact O-N 3.17Š| ||
| 45 | V | 45.9 | Very low | 64.8 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 69% | 0.685 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -137.9 | 111.5 | 171.2 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | Q43 | Q43-V45 PolarHBondContact O-N 2.85Š|
| 46 | R | 41.8 | Very low | 65 | Low | 235 Ų | 235 | 95.1 Ų | 95.1 | 89% | 0.887 | 50% | 0.502 | S | S | * | . | trans | 43.8 | 122.9 | 146.8 | -151.2 | 176.1 | -165.5 | -177.8 | 3.2 | 117.2 | ||||
| 47 | G | 45.8 | Very low | 64.7 | Low | 66 Ų | 66 | 97.1 Ų | 97.1 | 68% | 0.68 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -39.9 | 149 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 48 | D | 44.8 | Very low | 64.3 | Low | 168 Ų | 168 | 96.9 Ų | 96.9 | 90% | 0.898 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 104.4 | 9.8 | -179.8 | -51.8 | -14.8 | 0 | 0 | 0 | 115.8 | ||
| 49 | V | 47.5 | Very low | 63.4 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | trans | -112.6 | 126.7 | 169.4 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 50 | F | 50.1 | Low | 62.6 | Low | 183 Ų | 183 | 100.2 Ų | 100.2 | 80% | 0.803 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 141.3 | 175.2 | -64.9 | -91.8 | 0 | 0 | 0 | 110.8 | S52 | F50-S52 PolarHBondContact O-N 2.97Š|
| 51 | P | 54.8 | Low | 62.3 | Low | 70 Ų | 70 | 99.5 Ų | 99.5 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 129.2 | 170.9 | 20.2 | -25.5 | 0 | 0 | 0 | 109.5 | I26 | I26-P51 HydrophobicContact CD1-CB 4.18Å; I26-P51 HydrophobicContact CD1-CG 3.89Å; I26-P51 WeakPolarHBondContact CD1-O 3.48Å |
| 52 | S | 65.1 | Low | 62 | Low | 51 Ų | 51 | 96.1 Ų | 96.1 | 36% | 0.357 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 151 | 174.3 | 58.3 | 0 | 0 | 0 | 0 | 108.8 | I41 F50 | I41-S52 WeakPolarHBondContact CA-O 3.28Å; I41-S52 WeakPolarHBondContact CB-O 3.34Å; I41-S52 PolarHBondContact N-O 2.8Å; F50-S52 PolarHBondContact O-N 2.97Å |
| 53 | Y | 77.4 | Confident | 62.3 | Low | 73 Ų | 73 | 91.5 Ų | 91.5 | 29% | 0.286 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 159.5 | 176.7 | 69.8 | -82.9 | 0 | 0 | 0 | 110.1 | I26 P31 K39 H65 | I26-Y53 HydrophobicContact CB-CD1 4.41Å; I26-Y53 HydrophobicContact CD1-CD1 4.46Å; I26-Y53 HydrophobicContact CG2-CD1 3.45Å; I26-Y53 VanDerWaalsContact CG2-CD1 3.45Å; I26-Y53 HydrophobicContact CG2-CE1 3.78Å; I26-Y53 HydrophobicContact CG2-CG 4.02Å; P31-Y53 HydrophobicContact CB-CE2 3.75Å; P31-Y53 HydrophobicContact CG-CD2 3.59Å; P31-Y53 HydrophobicContact CG-CE1 4.3Å; P31-Y53 HydrophobicContact CG-CE2 3.21Å; P31-Y53 HydrophobicContact CG-CG 4.27Å; K39-Y53 CarbonylContact O-C 3.58Å; K39-Y53 WeakPolarHBondContact O-CA 3.21Å; Y53-H65 AromaticContact CE2-CE1 3.78Å; Y53-H65 AromaticContact CE2-ND1 3.63Å; Y53-H65 AromaticContact CZ-CE1 3.64Å; Y53-H65 AromaticContact CZ-ND1 3.9Å; Y53-H65 PolarHBondContact OH-CE1 2.8Å; Y53-H65 PolarHBondContact OH-ND1 2.7Å |
| 54 | T | 78.3 | Confident | 62.8 | Low | 63 Ų | 63 | 87.6 Ų | 87.6 | 39% | 0.387 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | K39 I41 | K39-T54 HydrophobicContact CB-CG2 4.05Å; K39-T54 PolarHBondContact N-O 2.93Å; K39-T54 PolarHBondContact O-N 3.21Å; I41-T54 HydrophobicContact CD1-CG2 3.98Å; I41-T54 HydrophobicContact CG1-CG2 4Å |
| 55 | C | 80.4 | Confident | 63.7 | Low | 9 Ų | 9 | 81.6 Ų | 81.6 | 6% | 0.061 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.2 | 177.9 | -70 | 0 | 0 | 0 | 0 | 109.7 | C32 S64 | C32-C55 VanDerWaalsContact CA-SG 3.54Å; C32-C55 HydrophobicContact CB-CB 3.76Å; C32-C55 WeakPolarHBondContact CB-SG 3.48Å; C32-C55 WeakPolarHBondContact SG-CA 3.46Å; C32-C55 WeakPolarHBondContact SG-CB 3.39Å; C32-C55 CovalentContact SG-SG 2.03Å; C32-C55 PolarHBondContact SG-SG 3.41Å; C55-S64 WeakPolarHBondContact CB-O 3.45Å |
| 56 | T | 79.4 | Confident | 65 | Low | 57 Ų | 57 | 76.2 Ų | 76.2 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.9 | 166.9 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | G36 L37 K39 | G36-T56 WeakPolarHBondContact CA-O 3.03Å; L37-T56 PolarHBondContact N-O 3.42Å; L37-T56 PolarHBondContact O-N 2.84Å; L37-T56 PolarHBondContact O-OG1 2.71Å; L37-T56 VanDerWaalsContact O-OG1 3.13Å; K39-T56 HydrophobicContact CD-CG2 4.14Å |
| 57 | C | 76.4 | Confident | 66.4 | Low | 44 Ų | 44 | 68.4 Ų | 68.4 | 30% | 0.297 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 150.6 | -172.9 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | Y61 C66 | C57-Y61 WeakPolarHBondContact CB-O 3.48Å; C57-C66 WeakPolarHBondContact CA-SG 3.39Å; C57-C66 HydrophobicContact CB-CB 3.71Å; C57-C66 WeakPolarHBondContact CB-SG 3.12Å; C57-C66 PolarHBondContact N-SG 3.26Å; C57-C66 WeakPolarHBondContact SG-CA 3.39Å; C57-C66 WeakPolarHBondContact SG-CB 3.06Å; C57-C66 CovalentContact SG-SG 2.04Å; C57-C66 PolarHBondContact SG-SG 2.55Å |
| 58 | L | 75.8 | Confident | 67.3 | Low | 96 Ų | 96 | 68.3 Ų | 68.3 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 157.2 | 168.6 | -67 | 176 | 0 | 0 | 0 | 110.5 | G35 G60 Y61 | G35-L58 WeakPolarHBondContact O-CD1 3.3Å; L58-G60 PolarHBondContact O-N 2.99Å; L58-Y61 HydrophobicContact CB-CD2 4.34Å; L58-Y61 PolarHBondContact O-N 2.86Å |
| 59 | E | 66.8 | Low | 68.6 | Low | 162 Ų | 162 | 65.2 Ų | 65.2 | 76% | 0.757 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 136 | 178.8 | -67.5 | -177.7 | 162.1 | 0 | 0 | 112 | Y61 | E59-Y61 VanDerWaalsContact C-N 3.32Š|
| 60 | G | 66.4 | Low | 70.1 | Confident | 31 Ų | 31 | 60.9 Ų | 60.9 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 8.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L58 K69 C70 | L58-G60 PolarHBondContact O-N 2.99Å; G60-K69 CarbonylContact O-C 3.44Å; G60-K69 WeakPolarHBondContact O-CA 3.44Å; G60-K69 WeakPolarHBondContact O-CG 3.27Å; G60-C70 PolarHBondContact O-N 3.21Å |
| 61 | Y | 72 | Confident | 71.8 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 30% | 0.302 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.2 | 170.2 | -62 | -85.2 | 0 | 0 | 0 | 112.3 | N34 C57 L58 E59 M68 K69 | N34-Y61 HydrophobicContact CB-CD1 3.49Å; N34-Y61 VanDerWaalsContact CB-CD1 3.49Å; N34-Y61 HydrophobicContact CB-CD2 4.26Å; N34-Y61 HydrophobicContact CB-CE1 3.52Å; N34-Y61 HydrophobicContact CB-CE2 4.27Å; N34-Y61 HydrophobicContact CB-CG 3.88Å; N34-Y61 VanDerWaalsContact CG-CE1 3.42Å; N34-Y61 WeakPolarHBondContact ND2-CD1 3.27Å; C57-Y61 WeakPolarHBondContact CB-O 3.48Å; L58-Y61 HydrophobicContact CB-CD2 4.34Å; L58-Y61 PolarHBondContact O-N 2.86Å; E59-Y61 VanDerWaalsContact C-N 3.32Å; Y61-M68 CarbonylContact C-O 3.48Å; Y61-M68 WeakPolarHBondContact CA-O 3.25Å; Y61-K69 HydrophobicContact CD1-CB 4.27Å; Y61-K69 HydrophobicContact CD1-CG 4.24Å; Y61-K69 HydrophobicContact CE1-CB 4.15Å; Y61-K69 HydrophobicContact CE1-CG 3.89Å |
| 62 | A | 66.7 | Low | 73.3 | Confident | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C66 E67 M68 C70 C225 | A62-C66 CarbonylContact O-C 3.48Å; A62-C66 WeakPolarHBondContact O-CA 3.35Å; A62-E67 PolarHBondContact O-N 2.75Å; A62-M68 PolarHBondContact N-O 2.86Å; A62-M68 WeakPolarHBondContact O-CB 3.23Å; A62-M68 PolarHBondContact O-N 3.16Å; A62-C70 HydrophobicContact CB-CB 4.3Å; A62-C225 WeakPolarHBondContact CB-SG 3.04Å |
| 63 | G | 63.9 | Low | 74.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 100.2 | 160.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H65 C66 M68 D228 | G63-H65 PolarHBondContact O-N 3.2Å; G63-C66 PolarHBondContact O-N 2.83Å; G63-M68 VanDerWaalsContact CA-CE 3.49Å; G63-D228 VanDerWaalsContact CA-OD1 3.3Å; G63-D228 WeakPolarHBondContact CA-OD1 3.45Å; G63-D228 PolarHBondContact N-OD1 3.3Å |
| 64 | S | 66.6 | Low | 75.1 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 37% | 0.371 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.8 | -172.7 | 55.2 | 0 | 0 | 0 | 0 | 114 | C55 | C55-S64 WeakPolarHBondContact CB-O 3.45Š|
| 65 | H | 71.4 | Confident | 75.7 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 20.7 | 173.7 | -51.7 | -43.6 | 0 | 0 | 0 | 112 | C32 H33 Y53 G63 E67 | C32-H65 CarbonylContact C-O 3.49Å; H33-H65 WeakPolarHBondContact CB-O 3.22Å; H33-H65 PolarHBondContact N-O 2.96Å; Y53-H65 AromaticContact CE2-CE1 3.78Å; Y53-H65 AromaticContact CE2-ND1 3.63Å; Y53-H65 AromaticContact CZ-CE1 3.64Å; Y53-H65 AromaticContact CZ-ND1 3.9Å; Y53-H65 PolarHBondContact OH-CE1 2.8Å; Y53-H65 PolarHBondContact OH-ND1 2.7Å; G63-H65 PolarHBondContact O-N 3.2Å; H65-E67 VanDerWaalsContact CA-OE2 3.22Å; H65-E67 WeakPolarHBondContact CA-OE2 3.16Å; H65-E67 WeakPolarHBondContact CB-OE2 3.35Å; H65-E67 PolarHBondContact N-OE2 2.78Å; H65-E67 PolarHBondContact O-N 2.95Å |
| 66 | C | 73.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 57.3 | 26 | -178.9 | -48.9 | 0 | 0 | 0 | 0 | 114.4 | H33 N34 C57 A62 G63 | H33-C66 WeakPolarHBondContact O-CB 3.22Å; N34-C66 PolarHBondContact ND2-O 3.07Å; C57-C66 WeakPolarHBondContact CA-SG 3.39Å; C57-C66 HydrophobicContact CB-CB 3.71Å; C57-C66 WeakPolarHBondContact CB-SG 3.12Å; C57-C66 PolarHBondContact N-SG 3.26Å; C57-C66 WeakPolarHBondContact SG-CA 3.39Å; C57-C66 WeakPolarHBondContact SG-CB 3.06Å; C57-C66 CovalentContact SG-SG 2.04Å; C57-C66 PolarHBondContact SG-SG 2.55Å; A62-C66 CarbonylContact O-C 3.48Å; A62-C66 WeakPolarHBondContact O-CA 3.35Å; G63-C66 PolarHBondContact O-N 2.83Å |
| 67 | E | 70 | Confident | 76.9 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | trans | -75.2 | -24.6 | -174.1 | 69.3 | -79.1 | -171.4 | 0 | 0 | 113.5 | H33 N34 A62 H65 | H33-E67 HydrophobicContact CB-CB 4.41Å; N34-E67 PolarHBondContact ND2-O 3.3Å; A62-E67 PolarHBondContact O-N 2.75Å; H65-E67 VanDerWaalsContact CA-OE2 3.22Å; H65-E67 WeakPolarHBondContact CA-OE2 3.16Å; H65-E67 WeakPolarHBondContact CB-OE2 3.35Å; H65-E67 PolarHBondContact N-OE2 2.78Å; H65-E67 PolarHBondContact O-N 2.95Å | ||
| 68 | M | 65.7 | Low | 77.2 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139.9 | -178.8 | -60.3 | -173.9 | -82.6 | 0 | 0 | 111.3 | Y61 A62 G63 | Y61-M68 CarbonylContact C-O 3.48Å; Y61-M68 WeakPolarHBondContact CA-O 3.25Å; A62-M68 PolarHBondContact N-O 2.86Å; A62-M68 WeakPolarHBondContact O-CB 3.23Å; A62-M68 PolarHBondContact O-N 3.16Å; G63-M68 VanDerWaalsContact CA-CE 3.49Å |
| 69 | K | 72.1 | Confident | 77.6 | Confident | 102 Ų | 102 | 51.1 Ų | 51.1 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.9 | 169 | -159.7 | -174.9 | -179.3 | -176.6 | 0 | 108.7 | G60 Y61 I71 | G60-K69 CarbonylContact O-C 3.44Å; G60-K69 WeakPolarHBondContact O-CA 3.44Å; G60-K69 WeakPolarHBondContact O-CG 3.27Å; Y61-K69 HydrophobicContact CD1-CB 4.27Å; Y61-K69 HydrophobicContact CD1-CG 4.24Å; Y61-K69 HydrophobicContact CE1-CB 4.15Å; Y61-K69 HydrophobicContact CE1-CG 3.89Å; K69-I71 HydrophobicContact CD-CD1 3.8Å; K69-I71 HydrophobicContact CD-CG1 3.84Å; K69-I71 VanDerWaalsContact CE-CD1 3.48Å; K69-I71 HydrophobicContact CG-CD1 4.44Å; K69-I71 HydrophobicContact CG-CG1 4Å; K69-I71 PolarHBondContact O-N 2.86Å |
| 70 | C | 79.8 | Confident | 78.5 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 50.9 | -173.5 | -163.2 | 0 | 0 | 0 | 0 | 113 | G60 A62 T139 G224 C225 | G60-C70 PolarHBondContact O-N 3.21Å; A62-C70 HydrophobicContact CB-CB 4.3Å; C70-T139 HydrophobicContact CB-CG2 4.28Å; C70-T139 WeakPolarHBondContact O-CB 3.3Å; C70-T139 WeakPolarHBondContact O-CG2 3.43Å; C70-T139 PolarHBondContact O-OG1 3Å; C70-T139 VanDerWaalsContact SG-CG2 3.58Å; C70-G224 CarbonylContact C-O 3.52Å; C70-C225 HydrophobicContact CB-CB 3.85Å; C70-C225 WeakPolarHBondContact CB-SG 3.43Å; C70-C225 WeakPolarHBondContact SG-CB 3.07Å; C70-C225 PolarHBondContact SG-N 3.23Å; C70-C225 CovalentContact SG-SG 2.04Å; C70-C225 PolarHBondContact SG-SG 2.96Å |
| 71 | I | 85.3 | Confident | 79.7 | Confident | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 21.9 | 175 | 64.4 | 166.7 | 0 | 0 | 0 | 111.8 | K69 L195 | K69-I71 HydrophobicContact CD-CD1 3.8Å; K69-I71 HydrophobicContact CD-CG1 3.84Å; K69-I71 VanDerWaalsContact CE-CD1 3.48Å; K69-I71 HydrophobicContact CG-CD1 4.44Å; K69-I71 HydrophobicContact CG-CG1 4Å; K69-I71 PolarHBondContact O-N 2.86Å; I71-L195 HydrophobicContact CG2-CD2 4.43Å |
| 72 | E | 85.4 | Confident | 80.4 | Confident | 115 Ų | 115 | 42 Ų | 42 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.6 | -178.3 | -66.8 | -59.1 | 136.5 | 0 | 0 | 111 | L74 L223 G224 | E72-L74 PolarHBondContact O-N 2.91Å; E72-L223 WeakPolarHBondContact O-CA 3.49Å; E72-G224 PolarHBondContact N-O 3.15Å; E72-G224 PolarHBondContact O-N 3.06Å |
| 73 | P | 90.5 | Very high | 81.6 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 118.8 | 177.4 | 28 | -33.8 | 0 | 0 | 0 | 110.8 | G75 E221 | P73-G75 PolarHBondContact O-N 3.46Å; P73-E221 HydrophobicContact CB-CG 3.69Å |
| 74 | L | 90.7 | Very high | 82.8 | Confident | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | trans | -68.6 | -22.5 | -177.1 | -61.2 | -172.5 | 0 | 0 | 0 | 112.7 | E72 I81 L132 M136 V138 L222 | E72-L74 PolarHBondContact O-N 2.91Å; L74-I81 HydrophobicContact CB-CD1 4.21Å; L74-L132 HydrophobicContact CD1-CD1 4.11Å; L74-L132 HydrophobicContact CD1-CD2 4.04Å; L74-M136 HydrophobicContact CD2-CE 3.82Å; L74-V138 HydrophobicContact CD1-CG2 4.33Å; L74-L222 HydrophobicContact CB-CB 4.22Å; L74-L222 HydrophobicContact CD1-CB 3.91Å; L74-L222 HydrophobicContact CG-CB 4.24Å; L74-L222 WeakPolarHBondContact CG-O 3.32Å; L74-L222 PolarHBondContact N-O 3.02Å | ||
| 75 | G | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 123.3 | 35.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116 | P73 N78 G79 N80 I81 E221 | P73-G75 PolarHBondContact O-N 3.46Å; G75-N78 WeakPolarHBondContact CA-OD1 3.2Å; G75-N78 PolarHBondContact O-OD1 2.95Å; G75-G79 PolarHBondContact O-N 2.92Å; G75-N80 PolarHBondContact O-N 3.15Å; G75-I81 WeakPolarHBondContact O-CB 3.27Å; G75-I81 PolarHBondContact O-N 3.21Å; G75-E221 PolarHBondContact N-OE1 3.15Å |
| 76 | M | 93.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -45.6 | 164.4 | -64.4 | -67.8 | -71.1 | 0 | 0 | 110.8 | I81 I86 R107 V130 F220 E221 | M76-I81 HydrophobicContact CG-CD1 4.04Å; M76-I81 HydrophobicContact SD-CB 4.33Å; M76-I81 HydrophobicContact SD-CD1 3.96Å; M76-I81 HydrophobicContact SD-CG2 4Å; M76-I86 HydrophobicContact CE-CD1 3.75Å; M76-I86 HydrophobicContact CE-CG1 4.34Å; M76-I86 HydrophobicContact CE-CG2 4.41Å; M76-I86 HydrophobicContact SD-CD1 3.98Å; M76-I86 HydrophobicContact SD-CG1 4.3Å; M76-R107 VanDerWaalsContact O-CB 3.32Å; M76-R107 WeakPolarHBondContact O-CB 3.46Å; M76-R107 WeakPolarHBondContact O-CD 3.43Å; M76-R107 WeakPolarHBondContact O-CG 3.46Å; M76-R107 PolarHBondContact O-NH1 3.5Å; M76-V130 HydrophobicContact CE-CG2 4.3Å; M76-V130 HydrophobicContact SD-CG1 4.35Å; M76-V130 HydrophobicContact SD-CG2 3.89Å; M76-F220 VanDerWaalsContact CB-O 3.22Å; M76-F220 WeakPolarHBondContact CB-O 3.32Å; M76-F220 HydrophobicContact CE-CD1 4.14Å; M76-F220 HydrophobicContact CE-CD2 4.49Å; M76-F220 HydrophobicContact CE-CE1 3.6Å; M76-F220 HydrophobicContact CE-CE2 4Å; M76-F220 HydrophobicContact CE-CZ 3.54Å; M76-F220 HydrophobicContact CG-CE2 4.46Å; M76-F220 HydrophobicContact SD-CE2 4.47Å; M76-F220 HydrophobicContact SD-CZ 4.41Å; M76-E221 HydrophobicContact CB-CB 4.47Å; M76-E221 WeakPolarHBondContact CB-OE1 3.3Å; M76-E221 WeakPolarHBondContact CG-OE1 3.41Å; M76-E221 VanDerWaalsContact N-CD 3.26Å; M76-E221 PolarHBondContact N-OE1 3.02Å; M76-E221 PolarHBondContact N-OE2 3.43Å |
| 77 | E | 91.3 | Very high | 86.5 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -53.1 | -177.3 | -177.2 | 166.1 | -166 | 0 | 0 | 112 | G79 L108 N109 E221 | E77-G79 VanDerWaalsContact C-N 3.28Å; E77-G79 PolarHBondContact O-N 2.68Å; E77-L108 HydrophobicContact CB-CB 4.23Å; E77-N109 WeakPolarHBondContact OE1-CB 3.47Å; E77-N109 PolarHBondContact OE1-ND2 3.22Å; E77-E221 PolarHBondContact N-OE2 3.04Å |
| 78 | N | 82.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.1 | -175.2 | 62.6 | 28.9 | 0 | 0 | 0 | 114.7 | G75 N80 | G75-N78 WeakPolarHBondContact CA-OD1 3.2Å; G75-N78 PolarHBondContact O-OD1 2.95Å; N78-N80 PolarHBondContact ND2-ND2 2.78Å; N78-N80 VanDerWaalsContact OD1-CB 3.31Å; N78-N80 WeakPolarHBondContact OD1-CB 3.31Å; N78-N80 PolarHBondContact OD1-N 2.86Å; N78-N80 PolarHBondContact OD1-ND2 3.3Å |
| 79 | G | 84.5 | Confident | 89.2 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 19 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G75 E77 I81 K354 | G75-G79 PolarHBondContact O-N 2.92Å; E77-G79 VanDerWaalsContact C-N 3.28Å; E77-G79 PolarHBondContact O-N 2.68Å; G79-I81 VanDerWaalsContact C-N 3.3Å; G79-K354 PolarHBondContact O-NZ 3.49Å |
| 80 | N | 85.7 | Confident | 90.3 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | trans | -67 | -35.3 | 165.6 | -68.6 | -25.7 | 0 | 0 | 0 | 110.7 | G75 N78 A82 K355 | G75-N80 PolarHBondContact O-N 3.15Å; N78-N80 PolarHBondContact ND2-ND2 2.78Å; N78-N80 VanDerWaalsContact OD1-CB 3.31Å; N78-N80 WeakPolarHBondContact OD1-CB 3.31Å; N78-N80 PolarHBondContact OD1-N 2.86Å; N78-N80 PolarHBondContact OD1-ND2 3.3Å; N80-A82 PolarHBondContact O-N 2.92Å; N80-K355 HydrophobicContact CB-CB 4.48Å; N80-K355 PolarHBondContact OD1-N 3.22Å | ||
| 81 | I | 90.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -79.4 | 111.6 | 166.7 | -61.2 | 176.6 | 0 | 0 | 0 | 107.9 | L74 G75 M76 G79 Q85 I86 R107 V130 L132 | L74-I81 HydrophobicContact CB-CD1 4.21Å; G75-I81 WeakPolarHBondContact O-CB 3.27Å; G75-I81 PolarHBondContact O-N 3.21Å; M76-I81 HydrophobicContact CG-CD1 4.04Å; M76-I81 HydrophobicContact SD-CB 4.33Å; M76-I81 HydrophobicContact SD-CD1 3.96Å; M76-I81 HydrophobicContact SD-CG2 4Å; G79-I81 VanDerWaalsContact C-N 3.3Å; I81-Q85 HydrophobicContact CG2-CB 3.82Å; I81-I86 HydrophobicContact CG2-CD1 4.39Å; I81-I86 HydrophobicContact CG2-CG1 4.03Å; I81-R107 VanDerWaalsContact O-CZ 3.28Å; I81-R107 PolarHBondContact O-NH1 2.81Å; I81-R107 PolarHBondContact O-NH2 2.78Å; I81-V130 HydrophobicContact CD1-CG1 4Å; I81-V130 HydrophobicContact CG2-CG1 3.92Å; I81-L132 HydrophobicContact CD1-CD2 4.1Å |
| 82 | A | 88.1 | Confident | 91.1 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 31% | 0.306 | 26% | 0.261 | S | S | . | . | trans | -70 | 158.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N80 S84 Q85 | N80-A82 PolarHBondContact O-N 2.92Å; A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.21Å; A82-Q85 HydrophobicContact CB-CG 4.44Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.5Å | ||
| 83 | N | 91.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -55.8 | -40.8 | 177.8 | -77.2 | 4 | 0 | 0 | 0 | 112.7 | Q85 I86 E104 R107 | N83-Q85 PolarHBondContact O-N 2.94Å; N83-Q85 VanDerWaalsContact O-N 3.11Å; N83-I86 PolarHBondContact O-N 3.31Å; N83-I86 VanDerWaalsContact O-N 3.12Å; N83-E104 HydrophobicContact CB-CB 4.29Å; N83-E104 HydrophobicContact CB-CG 3.63Å; N83-R107 PolarHBondContact OD1-NH2 3.04Å |
| 84 | S | 90.3 | Very high | 90.8 | Very high | 109 Ų | 109 | 41 Ų | 41 | 76% | 0.762 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -66 | -8.3 | 177.8 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | A82 | A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.21Å |
| 85 | Q | 94.3 | Very high | 90.2 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -91.3 | -10.6 | 175.5 | -69 | 172.6 | -108.8 | 0 | 0 | 113 | I81 A82 N83 V130 N131 L133 | I81-Q85 HydrophobicContact CG2-CB 3.82Å; A82-Q85 HydrophobicContact CB-CG 4.44Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.5Å; N83-Q85 PolarHBondContact O-N 2.94Å; N83-Q85 VanDerWaalsContact O-N 3.11Å; Q85-V130 WeakPolarHBondContact O-CA 3.4Å; Q85-N131 WeakPolarHBondContact CB-O 3.47Å; Q85-N131 WeakPolarHBondContact CG-O 3.41Å; Q85-N131 PolarHBondContact NE2-O 2.76Å; Q85-N131 PolarHBondContact O-N 3.1Å; Q85-L133 HydrophobicContact CG-CD1 4.04Å; Q85-L133 HydrophobicContact CG-CD2 4.18Å; Q85-L133 HydrophobicContact CG-CG 4.01Å |
| 86 | I | 96.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.3 | -173.9 | -42.7 | 169.7 | 0 | 0 | 0 | 108.5 | M76 I81 N83 P103 I128 Q129 | M76-I86 HydrophobicContact CE-CD1 3.75Å; M76-I86 HydrophobicContact CE-CG1 4.34Å; M76-I86 HydrophobicContact CE-CG2 4.41Å; M76-I86 HydrophobicContact SD-CD1 3.98Å; M76-I86 HydrophobicContact SD-CG1 4.3Å; I81-I86 HydrophobicContact CG2-CD1 4.39Å; I81-I86 HydrophobicContact CG2-CG1 4.03Å; N83-I86 PolarHBondContact O-N 3.31Å; N83-I86 VanDerWaalsContact O-N 3.12Å; I86-P103 HydrophobicContact CB-CB 4.46Å; I86-P103 HydrophobicContact CG2-CB 3.81Å; I86-I128 HydrophobicContact CG2-CD1 4.13Å; I86-I128 HydrophobicContact CG2-CG1 4.15Å; I86-Q129 WeakPolarHBondContact CA-O 3.24Å |
| 87 | T | 96.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 36% | 0.356 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 161.3 | 178.4 | 60 | 0 | 0 | 0 | 0 | 110.5 | Q129 | T87-Q129 PolarHBondContact N-O 2.81Å; T87-Q129 PolarHBondContact O-N 2.91Å |
| 88 | A | 96.9 | Very high | 88.2 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 21% | 0.207 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P103 W117 W127 I128 | A88-P103 HydrophobicContact CB-CB 4.05Å; A88-P103 HydrophobicContact CB-CG 4.11Å; A88-W117 HydrophobicContact CB-CZ2 3.95Å; A88-W127 CarbonylContact C-O 3.59Å; A88-W127 VanDerWaalsContact CA-O 3.28Å; A88-W127 WeakPolarHBondContact CA-O 3.39Å; A88-W127 WeakPolarHBondContact CB-O 3.41Å; A88-I128 HydrophobicContact CB-CB 4.43Å; A88-I128 HydrophobicContact CB-CG1 4.4Å |
| 89 | S | 96.1 | Very high | 88.3 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -57.6 | -46.9 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | D123 P126 W127 | S89-D123 VanDerWaalsContact CB-OD2 3.27Å; S89-D123 WeakPolarHBondContact CB-OD2 3.38Å; S89-D123 PolarHBondContact OG-OD2 3.18Å; S89-P126 VanDerWaalsContact OG-CA 3.32Å; S89-P126 WeakPolarHBondContact OG-CA 3.41Å; S89-W127 PolarHBondContact N-O 2.91Å; S89-W127 PolarHBondContact OG-N 3.15Å; S89-W127 PolarHBondContact OG-O 2.76Å |
| 90 | S | 94.6 | Very high | 88.5 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | trans | -154 | 167.7 | -175.9 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | W117 P119 S120 D123 | S90-W117 PolarHBondContact O-NE1 2.92Å; S90-P119 WeakPolarHBondContact OG-CB 3.47Å; S90-S120 PolarHBondContact OG-N 2.78Å; S90-D123 VanDerWaalsContact CB-OD2 3.24Å; S90-D123 WeakPolarHBondContact CB-OD2 3.45Å; S90-D123 WeakPolarHBondContact OG-CB 3.47Å; S90-D123 PolarHBondContact OG-OD2 3.12Å | ||
| 91 | V | 93.5 | Very high | 88.8 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | trans | -133.5 | 135.4 | -180 | 170.5 | 0 | 0 | 0 | 0 | 109.2 | V102 | V91-V102 HydrophobicContact CG1-CG1 3.93Å; V91-V102 HydrophobicContact CG2-CG1 4.48Å | ||
| 92 | R | 90 | Very high | 88.9 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 24% | 0.238 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.2 | 170.7 | -155 | -178.3 | 179.5 | 110.7 | -0.6 | 110.4 | T94 W101 T118 P119 | R92-T94 HydrophobicContact CG-CG2 4.08Å; R92-W101 HydrophobicContact CB-CB 4.34Å; R92-W101 PolarHBondContact O-N 2.9Å; R92-T118 HydrophobicContact CB-CG2 4.06Å; R92-T118 WeakPolarHBondContact CB-O 3.21Å; R92-T118 PolarHBondContact N-O 2.8Å; R92-P119 WeakPolarHBondContact CB-O 3.43Å |
| 93 | V | 87 | Confident | 89.3 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.9 | 168.3 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | Q99 | V93-Q99 CarbonylContact C-O 3.56Å; V93-Q99 WeakPolarHBondContact CA-O 3.4Å |
| 94 | T | 81.9 | Confident | 89.4 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 169.5 | -175.1 | 48.1 | 0 | 0 | 0 | 0 | 111 | R92 G97 L98 Q99 W101 | R92-T94 HydrophobicContact CG-CG2 4.08Å; T94-G97 PolarHBondContact O-N 2.91Å; T94-L98 PolarHBondContact O-N 2.76Å; T94-Q99 PolarHBondContact N-O 3.34Å; T94-Q99 PolarHBondContact O-N 2.86Å; T94-Q99 WeakPolarHBondContact OG1-CB 3.38Å; T94-Q99 PolarHBondContact OG1-O 2.87Å; T94-Q99 VanDerWaalsContact OG1-O 3.1Å; T94-W101 PolarHBondContact OG1-NE1 3.19Å |
| 95 | F | 79 | Confident | 89.6 | Confident | 141 Ų | 141 | 53.3 Ų | 53.3 | 62% | 0.618 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | 50.6 | 65.2 | 179.5 | -163.6 | -112.6 | 0 | 0 | 0 | 113.1 | G97 L98 Q99 | F95-G97 PolarHBondContact O-N 2.87Å; F95-L98 HydrophobicContact CD1-CB 4.02Å; F95-L98 HydrophobicContact CD1-CD1 3.71Å; F95-L98 HydrophobicContact CD1-CG 4.42Å; F95-L98 HydrophobicContact CE1-CD1 3.8Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.44Å; F95-L98 WeakPolarHBondContact O-CG 3.34Å; F95-L98 PolarHBondContact O-N 2.94Å; F95-Q99 HydrophobicContact CB-CB 4.39Å; F95-Q99 HydrophobicContact CB-CG 4.13Å |
| 96 | L | 77.9 | Confident | 89.7 | Confident | 179 Ų | 179 | 52.4 Ų | 52.4 | 94% | 0.937 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | 53.2 | 28.3 | 177.5 | -59.7 | 174.9 | 0 | 0 | 0 | 115.4 | ||
| 97 | G | 77.1 | Confident | 89.6 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | 95.8 | 5.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T94 F95 H100 | T94-G97 PolarHBondContact O-N 2.91Å; F95-G97 PolarHBondContact O-N 2.87Å; G97-H100 PolarHBondContact O-CD2 2.83Å; G97-H100 PolarHBondContact O-NE2 2.91Å |
| 98 | L | 77.7 | Confident | 89.4 | Confident | 129 Ų | 129 | 51 Ų | 51 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -21.1 | -174 | -60.8 | 170.3 | 0 | 0 | 0 | 114.2 | T94 F95 | T94-L98 PolarHBondContact O-N 2.76Å; F95-L98 HydrophobicContact CD1-CB 4.02Å; F95-L98 HydrophobicContact CD1-CD1 3.71Å; F95-L98 HydrophobicContact CD1-CG 4.42Å; F95-L98 HydrophobicContact CE1-CD1 3.8Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.44Å; F95-L98 WeakPolarHBondContact O-CG 3.34Å; F95-L98 PolarHBondContact O-N 2.94Å |
| 99 | Q | 84.4 | Confident | 89.1 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 109.4 | -179.8 | -74.8 | -174.5 | -8 | 0 | 0 | 111.3 | V93 T94 F95 V114 | V93-Q99 CarbonylContact C-O 3.56Å; V93-Q99 WeakPolarHBondContact CA-O 3.4Å; T94-Q99 PolarHBondContact N-O 3.34Å; T94-Q99 PolarHBondContact O-N 2.86Å; T94-Q99 WeakPolarHBondContact OG1-CB 3.38Å; T94-Q99 PolarHBondContact OG1-O 2.87Å; T94-Q99 VanDerWaalsContact OG1-O 3.1Å; F95-Q99 HydrophobicContact CB-CB 4.39Å; F95-Q99 HydrophobicContact CB-CG 4.13Å; Q99-V114 HydrophobicContact CB-CG2 3.95Å; Q99-V114 HydrophobicContact CG-CG2 3.77Å |
| 100 | H | 89.4 | Confident | 88.8 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 113 | -175.9 | -64 | -117.3 | 0 | 0 | 0 | 111 | G97 V102 V114 | G97-H100 PolarHBondContact O-CD2 2.83Å; G97-H100 PolarHBondContact O-NE2 2.91Å; H100-V102 VanDerWaalsContact C-N 3.26Å; H100-V102 HydrophobicContact CB-CG1 3.8Å; H100-V102 PolarHBondContact O-N 2.87Å; H100-V102 VanDerWaalsContact O-N 3.07Å; H100-V114 WeakPolarHBondContact O-CG1 3.44Å |
| 101 | W | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 61.5 | -178.2 | -65.4 | 77.9 | 0 | 0 | 0 | 111.2 | R92 T94 V114 A116 W117 T118 A146 R148 T217 | R92-W101 HydrophobicContact CB-CB 4.34Å; R92-W101 PolarHBondContact O-N 2.9Å; T94-W101 PolarHBondContact OG1-NE1 3.19Å; W101-V114 HydrophobicContact CD2-CG1 3.67Å; W101-V114 HydrophobicContact CE3-CG1 4.01Å; W101-V114 HydrophobicContact CG-CG1 3.95Å; W101-V114 HydrophobicContact CH2-CG1 4.44Å; W101-V114 HydrophobicContact CZ2-CG1 4.15Å; W101-V114 HydrophobicContact CZ2-CG2 4.37Å; W101-V114 HydrophobicContact CZ3-CG1 4.38Å; W101-A116 HydrophobicContact CE3-CB 4Å; W101-A116 HydrophobicContact CZ3-CB 3.91Å; W101-W117 WeakPolarHBondContact O-CA 3.16Å; W101-W117 VanDerWaalsContact O-CD1 3.26Å; W101-T118 PolarHBondContact O-N 3.22Å; W101-T118 VanDerWaalsContact O-N 3.14Å; W101-A146 HydrophobicContact CZ3-CB 4.29Å; W101-R148 HydrophobicContact CH2-CB 4.44Å; W101-R148 HydrophobicContact CZ2-CB 4.17Å; W101-R148 HydrophobicContact CZ2-CG 4.07Å; W101-T217 HydrophobicContact CE3-CG2 4.2Å; W101-T217 HydrophobicContact CZ3-CG2 4.09Å |
| 102 | V | 93.9 | Very high | 88.1 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 24% | 0.242 | 33% | 0.329 | C | S | . | . | trans | -73.9 | 153.1 | -170.1 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | V91 H100 E104 L105 | V91-V102 HydrophobicContact CG1-CG1 3.93Å; V91-V102 HydrophobicContact CG2-CG1 4.48Å; H100-V102 VanDerWaalsContact C-N 3.26Å; H100-V102 HydrophobicContact CB-CG1 3.8Å; H100-V102 PolarHBondContact O-N 2.87Å; H100-V102 VanDerWaalsContact O-N 3.07Å; V102-E104 VanDerWaalsContact C-N 3.25Å; V102-E104 WeakPolarHBondContact CB-OE2 3.38Å; V102-E104 HydrophobicContact CG2-CB 4.43Å; V102-E104 WeakPolarHBondContact CG2-OE2 3.15Å; V102-E104 PolarHBondContact O-N 3.21Å; V102-L105 HydrophobicContact CG2-CD1 4Å; V102-L105 HydrophobicContact CG2-CG 3.69Å; V102-L105 WeakPolarHBondContact O-CB 3.47Å; V102-L105 PolarHBondContact O-N 2.85Å | ||
| 103 | P | 95.4 | Very high | 87.8 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.078 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -51.6 | -35.9 | -179.7 | 15.1 | -30.3 | 0 | 0 | 0 | 115.1 | I86 A88 L105 A106 I128 | I86-P103 HydrophobicContact CB-CB 4.46Å; I86-P103 HydrophobicContact CG2-CB 3.81Å; A88-P103 HydrophobicContact CB-CB 4.05Å; A88-P103 HydrophobicContact CB-CG 4.11Å; P103-L105 PolarHBondContact O-N 3.21Å; P103-L105 VanDerWaalsContact O-N 3.09Å; P103-A106 WeakPolarHBondContact O-CB 3.46Å; P103-A106 PolarHBondContact O-N 3.37Å; P103-I128 HydrophobicContact CB-CD1 3.9Å; P103-I128 HydrophobicContact CB-CG1 4.35Å |
| 104 | E | 93.8 | Very high | 87.9 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -63.2 | -18.1 | -179.2 | -58 | 85.9 | 160.5 | 0 | 0 | 113.4 | N83 V102 R107 R110 | N83-E104 HydrophobicContact CB-CB 4.29Å; N83-E104 HydrophobicContact CB-CG 3.63Å; V102-E104 VanDerWaalsContact C-N 3.25Å; V102-E104 WeakPolarHBondContact CB-OE2 3.38Å; V102-E104 HydrophobicContact CG2-CB 4.43Å; V102-E104 WeakPolarHBondContact CG2-OE2 3.15Å; V102-E104 PolarHBondContact O-N 3.21Å; E104-R107 PolarHBondContact O-NE 2.89Å; E104-R110 PolarHBondContact O-NH1 2.97Å |
| 105 | L | 93.9 | Very high | 88.3 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -85.6 | -10.5 | 175.9 | -56.3 | -177.9 | 0 | 0 | 0 | 112.9 | V102 P103 R107 V114 N115 A116 | V102-L105 HydrophobicContact CG2-CD1 4Å; V102-L105 HydrophobicContact CG2-CG 3.69Å; V102-L105 WeakPolarHBondContact O-CB 3.47Å; V102-L105 PolarHBondContact O-N 2.85Å; P103-L105 PolarHBondContact O-N 3.21Å; P103-L105 VanDerWaalsContact O-N 3.09Å; L105-R107 PolarHBondContact O-N 3.01Å; L105-V114 HydrophobicContact CD1-CB 4.37Å; L105-V114 HydrophobicContact CD1-CG1 3.66Å; L105-N115 CarbonylContact O-C 3.54Å; L105-A116 WeakPolarHBondContact O-CA 3.22Å |
| 106 | A | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -70.7 | 29.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | P103 W117 I128 F220 | P103-A106 WeakPolarHBondContact O-CB 3.46Å; P103-A106 PolarHBondContact O-N 3.37Å; A106-W117 HydrophobicContact CB-CB 3.69Å; A106-I128 HydrophobicContact CB-CD1 3.57Å; A106-F220 HydrophobicContact CB-CD1 3.91Å; A106-F220 HydrophobicContact CB-CE1 3.74Å; A106-F220 WeakPolarHBondContact O-CD1 3.45Å; A106-F220 PolarHBondContact O-N 2.87Å | ||
| 107 | R | 95.4 | Very high | 89.9 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -90.7 | 134.3 | -176.3 | -57.8 | -179.6 | 178.9 | -88.3 | 3.2 | 109.9 | M76 I81 N83 E104 L105 R110 R219 | M76-R107 VanDerWaalsContact O-CB 3.32Å; M76-R107 WeakPolarHBondContact O-CB 3.46Å; M76-R107 WeakPolarHBondContact O-CD 3.43Å; M76-R107 WeakPolarHBondContact O-CG 3.46Å; M76-R107 PolarHBondContact O-NH1 3.5Å; I81-R107 VanDerWaalsContact O-CZ 3.28Å; I81-R107 PolarHBondContact O-NH1 2.81Å; I81-R107 PolarHBondContact O-NH2 2.78Å; N83-R107 PolarHBondContact OD1-NH2 3.04Å; E104-R107 PolarHBondContact O-NE 2.89Å; L105-R107 PolarHBondContact O-N 3.01Å; R107-R110 HydrophobicContact CB-CB 4.35Å; R107-R110 VanDerWaalsContact O-CB 3.27Å; R107-R110 WeakPolarHBondContact O-CB 3.49Å; R107-R110 PolarHBondContact O-N 2.85Å; R107-R219 WeakPolarHBondContact O-CB 3.48Å; R107-R219 WeakPolarHBondContact O-CG 3.07Å |
| 108 | L | 92.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 145.2 | 177.3 | -163.2 | 68.6 | 0 | 0 | 0 | 111.5 | E77 R110 V142 Q144 V191 F220 E221 | E77-L108 HydrophobicContact CB-CB 4.23Å; L108-R110 PolarHBondContact O-N 3.1Å; L108-V142 HydrophobicContact CD1-CG1 4Å; L108-V142 HydrophobicContact CD2-CB 4.36Å; L108-V142 HydrophobicContact CD2-CG1 3.7Å; L108-Q144 HydrophobicContact CD1-CB 3.68Å; L108-V191 HydrophobicContact CD1-CG1 4.4Å; L108-V191 HydrophobicContact CD1-CG2 4.44Å; L108-F220 PolarHBondContact N-O 2.91Å; L108-F220 VanDerWaalsContact N-O 3.12Å; L108-E221 HydrophobicContact CB-CB 4.06Å; L108-E221 HydrophobicContact CD2-CB 3.99Å |
| 109 | N | 91.1 | Very high | 91.6 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 3.2 | 179.5 | -60.8 | -41.1 | 0 | 0 | 0 | 117.1 | E77 A111 Q144 | E77-N109 WeakPolarHBondContact OE1-CB 3.47Å; E77-N109 PolarHBondContact OE1-ND2 3.22Å; N109-A111 PolarHBondContact O-N 2.82Å; N109-Q144 PolarHBondContact OD1-NE2 2.95Å |
| 110 | R | 89.6 | Confident | 92 | Very high | 90 Ų | 90 | 39 Ų | 39 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | trans | -56.6 | 130.8 | 178.5 | -169.7 | 171.2 | -171.8 | 148.1 | 4.1 | 111.1 | E104 R107 L108 N115 R219 | E104-R110 PolarHBondContact O-NH1 2.97Å; R107-R110 HydrophobicContact CB-CB 4.35Å; R107-R110 VanDerWaalsContact O-CB 3.27Å; R107-R110 WeakPolarHBondContact O-CB 3.49Å; R107-R110 PolarHBondContact O-N 2.85Å; L108-R110 PolarHBondContact O-N 3.1Å; R110-N115 HydrophobicContact CG-CB 4.47Å; R110-N115 WeakPolarHBondContact O-CB 3.46Å; R110-N115 PolarHBondContact O-ND2 3.07Å; R110-R219 PolarHBondContact O-NH1 3.38Å | ||
| 111 | A | 88.3 | Confident | 91.9 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 72% | 0.719 | 23% | 0.232 | S | C | * | . | trans | -101.6 | 158.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N109 | N109-A111 PolarHBondContact O-N 2.82Š| ||
| 112 | G | 85.8 | Confident | 91.8 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 57% | 0.567 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 142.1 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V114 | G112-V114 VanDerWaalsContact C-N 3.34Š|
| 113 | M | 83.6 | Confident | 91.7 | Very high | 154 Ų | 154 | 45.2 Ų | 45.2 | 76% | 0.759 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -71.9 | -31.1 | 173.4 | -173.8 | -175.1 | -68.8 | 0 | 0 | 112.2 | ||
| 114 | V | 87.7 | Confident | 91.4 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -128.2 | 115.2 | 169.7 | -172.8 | 0 | 0 | 0 | 0 | 105.8 | Q99 H100 W101 L105 G112 | Q99-V114 HydrophobicContact CB-CG2 3.95Å; Q99-V114 HydrophobicContact CG-CG2 3.77Å; H100-V114 WeakPolarHBondContact O-CG1 3.44Å; W101-V114 HydrophobicContact CD2-CG1 3.67Å; W101-V114 HydrophobicContact CE3-CG1 4.01Å; W101-V114 HydrophobicContact CG-CG1 3.95Å; W101-V114 HydrophobicContact CH2-CG1 4.44Å; W101-V114 HydrophobicContact CZ2-CG1 4.15Å; W101-V114 HydrophobicContact CZ2-CG2 4.37Å; W101-V114 HydrophobicContact CZ3-CG1 4.38Å; L105-V114 HydrophobicContact CD1-CB 4.37Å; L105-V114 HydrophobicContact CD1-CG1 3.66Å; G112-V114 VanDerWaalsContact C-N 3.34Å |
| 115 | N | 91.7 | Very high | 91.3 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | trans | -145.2 | 14.2 | -162.9 | 71.6 | -37.2 | 0 | 0 | 0 | 114.3 | L105 R110 R219 | L105-N115 CarbonylContact O-C 3.54Å; R110-N115 HydrophobicContact CG-CB 4.47Å; R110-N115 WeakPolarHBondContact O-CB 3.46Å; R110-N115 PolarHBondContact O-ND2 3.07Å; N115-R219 PolarHBondContact ND2-NH1 2.76Å; N115-R219 WeakPolarHBondContact O-CD 3.09Å; N115-R219 VanDerWaalsContact O-CG 3.3Å; N115-R219 WeakPolarHBondContact O-CG 2.96Å | ||
| 116 | A | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -147.5 | 168.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W101 L105 A146 T217 R219 | W101-A116 HydrophobicContact CE3-CB 4Å; W101-A116 HydrophobicContact CZ3-CB 3.91Å; L105-A116 WeakPolarHBondContact O-CA 3.22Å; A116-A146 HydrophobicContact CB-CB 3.92Å; A116-T217 HydrophobicContact CB-CG2 3.53Å; A116-R219 HydrophobicContact CB-CG 3.67Å |
| 117 | W | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 150.7 | 162.9 | 169.5 | 68.4 | 0 | 0 | 0 | 110.5 | A88 S90 W101 A106 P119 P126 W127 I128 P209 T217 L218 | A88-W117 HydrophobicContact CB-CZ2 3.95Å; S90-W117 PolarHBondContact O-NE1 2.92Å; W101-W117 WeakPolarHBondContact O-CA 3.16Å; W101-W117 VanDerWaalsContact O-CD1 3.26Å; A106-W117 HydrophobicContact CB-CB 3.69Å; W117-P119 HydrophobicContact CH2-CB 4.26Å; W117-P119 HydrophobicContact CH2-CG 4.26Å; W117-P119 HydrophobicContact CZ2-CB 3.78Å; W117-P119 HydrophobicContact CZ2-CG 4.21Å; W117-P126 HydrophobicContact CH2-CB 4.37Å; W117-W127 WeakPolarHBondContact CZ2-O 3.19Å; W117-I128 HydrophobicContact CB-CD1 3.85Å; W117-I128 HydrophobicContact CD2-CB 4.05Å; W117-I128 HydrophobicContact CD2-CD1 3.69Å; W117-I128 HydrophobicContact CD2-CG1 4.4Å; W117-I128 HydrophobicContact CE3-CB 3.75Å; W117-I128 HydrophobicContact CE3-CD1 3.81Å; W117-I128 HydrophobicContact CE3-CG1 4.39Å; W117-I128 HydrophobicContact CE3-CG2 3.78Å; W117-I128 HydrophobicContact CG-CD1 3.73Å; W117-I128 HydrophobicContact CH2-CB 3.83Å; W117-I128 HydrophobicContact CH2-CG2 4.13Å; W117-I128 HydrophobicContact CZ2-CB 4.12Å; W117-I128 HydrophobicContact CZ3-CB 3.65Å; W117-I128 HydrophobicContact CZ3-CG2 3.54Å; W117-P209 HydrophobicContact CH2-CG 4.22Å; W117-P209 HydrophobicContact CZ3-CG 4.08Å; W117-T217 WeakPolarHBondContact O-CA 3.24Å; W117-L218 HydrophobicContact CE3-CB 4.22Å; W117-L218 HydrophobicContact CE3-CD2 4.49Å; W117-L218 PolarHBondContact N-O 3.13Å; W117-L218 PolarHBondContact O-N 3.42Å |
| 118 | T | 94.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | trans | -149.3 | 130.6 | 167.6 | -57.2 | 0 | 0 | 0 | 0 | 107.9 | R92 W101 A215 T217 | R92-T118 HydrophobicContact CB-CG2 4.06Å; R92-T118 WeakPolarHBondContact CB-O 3.21Å; R92-T118 PolarHBondContact N-O 2.8Å; W101-T118 PolarHBondContact O-N 3.22Å; W101-T118 VanDerWaalsContact O-N 3.14Å; T118-A215 HydrophobicContact CG2-CB 3.93Å; T118-T217 WeakPolarHBondContact OG1-CB 3.45Å; T118-T217 VanDerWaalsContact OG1-CG2 3.31Å; T118-T217 WeakPolarHBondContact OG1-CG2 3.49Å; T118-T217 PolarHBondContact OG1-OG1 3.24Å | ||
| 119 | P | 94.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 5% | 0.045 | 32% | 0.322 | C | S | . | . | trans | -71.8 | 164.3 | 177 | 29.8 | -34.5 | 0 | 0 | 0 | 112.1 | S90 R92 W117 P126 C216 | S90-P119 WeakPolarHBondContact OG-CB 3.47Å; R92-P119 WeakPolarHBondContact CB-O 3.43Å; W117-P119 HydrophobicContact CH2-CB 4.26Å; W117-P119 HydrophobicContact CH2-CG 4.26Å; W117-P119 HydrophobicContact CZ2-CB 3.78Å; W117-P119 HydrophobicContact CZ2-CG 4.21Å; P119-P126 HydrophobicContact CB-CB 3.45Å; P119-P126 VanDerWaalsContact CB-CB 3.45Å; P119-P126 HydrophobicContact CB-CG 4.33Å; P119-P126 HydrophobicContact CG-CB 3.68Å; P119-P126 HydrophobicContact CG-CG 4.09Å; P119-C216 WeakPolarHBondContact CD-O 3.36Å; P119-C216 HydrophobicContact CG-CB 3.8Å | ||
| 120 | S | 92.5 | Very high | 92.1 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | trans | -58.5 | 151 | 171 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | S90 N122 | S90-S120 PolarHBondContact OG-N 2.78Å; S120-N122 PolarHBondContact O-N 2.84Å; S120-N122 PolarHBondContact OG-N 3.19Å | ||
| 121 | S | 87.6 | Confident | 92.3 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 59% | 0.587 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.9 | 173.1 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 122 | N | 89.6 | Confident | 92.5 | Very high | 134 Ų | 134 | 45.8 Ų | 45.8 | 72% | 0.717 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 14.7 | -175 | -52.1 | 8.5 | 0 | 0 | 0 | 111.4 | S120 | S120-N122 PolarHBondContact O-N 2.84Å; S120-N122 PolarHBondContact OG-N 3.19Å |
| 123 | D | 91.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 22% | 0.219 | 25% | 0.253 | C | S | . | . | trans | -105.3 | 104 | 178.1 | -176.8 | -1.7 | 0 | 0 | 0 | 108.1 | S89 S90 N125 P126 | S89-D123 VanDerWaalsContact CB-OD2 3.27Å; S89-D123 WeakPolarHBondContact CB-OD2 3.38Å; S89-D123 PolarHBondContact OG-OD2 3.18Å; S90-D123 VanDerWaalsContact CB-OD2 3.24Å; S90-D123 WeakPolarHBondContact CB-OD2 3.45Å; S90-D123 WeakPolarHBondContact OG-CB 3.47Å; S90-D123 PolarHBondContact OG-OD2 3.12Å; D123-N125 VanDerWaalsContact C-N 3.29Å; D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 VanDerWaalsContact OD1-C 3.31Å; D123-N125 PolarHBondContact OD1-N 3.1Å; D123-P126 WeakPolarHBondContact O-CD 3.31Å; D123-P126 WeakPolarHBondContact OD2-CA 3.21Å | ||
| 124 | D | 89.4 | Confident | 92.5 | Very high | 165 Ų | 165 | 41.9 Ų | 41.9 | 88% | 0.882 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -75.6 | -15.6 | -176.5 | -63.5 | -46.7 | 0 | 0 | 0 | 113.2 | ||
| 125 | N | 92.6 | Very high | 92.4 | Very high | 105 Ų | 105 | 46.8 Ų | 46.8 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -138.6 | 64.6 | 179.6 | -174.4 | 31.2 | 0 | 0 | 0 | 111.1 | D123 | D123-N125 VanDerWaalsContact C-N 3.29Å; D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 VanDerWaalsContact OD1-C 3.31Å; D123-N125 PolarHBondContact OD1-N 3.1Å |
| 126 | P | 96.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.071 | 24% | 0.241 | C | C | . | . | trans | -69.1 | 146.7 | -174.7 | 29.7 | -34.6 | 0 | 0 | 0 | 111.2 | S89 W117 P119 D123 P209 | S89-P126 VanDerWaalsContact OG-CA 3.32Å; S89-P126 WeakPolarHBondContact OG-CA 3.41Å; W117-P126 HydrophobicContact CH2-CB 4.37Å; P119-P126 HydrophobicContact CB-CB 3.45Å; P119-P126 VanDerWaalsContact CB-CB 3.45Å; P119-P126 HydrophobicContact CB-CG 4.33Å; P119-P126 HydrophobicContact CG-CB 3.68Å; P119-P126 HydrophobicContact CG-CG 4.09Å; D123-P126 WeakPolarHBondContact O-CD 3.31Å; D123-P126 WeakPolarHBondContact OD2-CA 3.21Å; P126-P209 HydrophobicContact CG-CB 4.26Å; P126-P209 HydrophobicContact CG-CG 4.36Å; P126-P209 VanDerWaalsContact O-CD 3.29Å; P126-P209 WeakPolarHBondContact O-CD 3.05Å | ||
| 127 | W | 96.7 | Very high | 92 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | trans | -145.6 | 151.5 | 171 | 56.9 | -96.4 | 0 | 0 | 0 | 111.6 | A88 S89 W117 Q129 R206 L207 Y208 | A88-W127 CarbonylContact C-O 3.59Å; A88-W127 VanDerWaalsContact CA-O 3.28Å; A88-W127 WeakPolarHBondContact CA-O 3.39Å; A88-W127 WeakPolarHBondContact CB-O 3.41Å; S89-W127 PolarHBondContact N-O 2.91Å; S89-W127 PolarHBondContact OG-N 3.15Å; S89-W127 PolarHBondContact OG-O 2.76Å; W117-W127 WeakPolarHBondContact CZ2-O 3.19Å; W127-Q129 HydrophobicContact CE3-CB 3.77Å; W127-Q129 HydrophobicContact CZ3-CB 3.54Å; W127-R206 HydrophobicContact CE3-CG 4.37Å; W127-L207 VanDerWaalsContact CA-O 3.3Å; W127-L207 WeakPolarHBondContact CA-O 3.42Å; W127-Y208 HydrophobicContact CB-CD1 3.78Å; W127-Y208 HydrophobicContact CB-CE1 3.68Å; W127-Y208 HydrophobicContact CB-CG 4.27Å; W127-Y208 AromaticContact CD1-CE1 3.94Å; W127-Y208 HydrophobicContact CG-CE1 4.06Å | ||
| 128 | I | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.2 | 165.4 | -173 | 160.4 | 0 | 0 | 0 | 108.9 | I86 A88 P103 A106 W117 R206 L207 L218 F220 | I86-I128 HydrophobicContact CG2-CD1 4.13Å; I86-I128 HydrophobicContact CG2-CG1 4.15Å; A88-I128 HydrophobicContact CB-CB 4.43Å; A88-I128 HydrophobicContact CB-CG1 4.4Å; P103-I128 HydrophobicContact CB-CD1 3.9Å; P103-I128 HydrophobicContact CB-CG1 4.35Å; A106-I128 HydrophobicContact CB-CD1 3.57Å; W117-I128 HydrophobicContact CB-CD1 3.85Å; W117-I128 HydrophobicContact CD2-CB 4.05Å; W117-I128 HydrophobicContact CD2-CD1 3.69Å; W117-I128 HydrophobicContact CD2-CG1 4.4Å; W117-I128 HydrophobicContact CE3-CB 3.75Å; W117-I128 HydrophobicContact CE3-CD1 3.81Å; W117-I128 HydrophobicContact CE3-CG1 4.39Å; W117-I128 HydrophobicContact CE3-CG2 3.78Å; W117-I128 HydrophobicContact CG-CD1 3.73Å; W117-I128 HydrophobicContact CH2-CB 3.83Å; W117-I128 HydrophobicContact CH2-CG2 4.13Å; W117-I128 HydrophobicContact CZ2-CB 4.12Å; W117-I128 HydrophobicContact CZ3-CB 3.65Å; W117-I128 HydrophobicContact CZ3-CG2 3.54Å; I128-R206 CarbonylContact O-C 3.38Å; I128-R206 VanDerWaalsContact O-CA 3.29Å; I128-R206 WeakPolarHBondContact O-CA 3.43Å; I128-L207 HydrophobicContact CG2-CB 3.99Å; I128-L207 PolarHBondContact N-O 2.99Å; I128-L207 VanDerWaalsContact N-O 3.09Å; I128-L207 PolarHBondContact O-N 3.46Å; I128-L218 HydrophobicContact CG2-CD2 4.11Å; I128-F220 HydrophobicContact CD1-CE1 3.86Å; I128-F220 HydrophobicContact CG1-CE1 4.22Å; I128-F220 HydrophobicContact CG1-CZ 4.45Å; I128-F220 HydrophobicContact CG2-CE1 4.04Å; I128-F220 HydrophobicContact CG2-CZ 4.3Å |
| 129 | Q | 97.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 51 Ų | 51 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.7 | -174.3 | -175 | -177.3 | -79.4 | 0 | 0 | 110.5 | I86 T87 W127 V205 R206 | I86-Q129 WeakPolarHBondContact CA-O 3.24Å; T87-Q129 PolarHBondContact N-O 2.81Å; T87-Q129 PolarHBondContact O-N 2.91Å; W127-Q129 HydrophobicContact CE3-CB 3.77Å; W127-Q129 HydrophobicContact CZ3-CB 3.54Å; Q129-V205 CarbonylContact C-O 3.55Å; Q129-V205 VanDerWaalsContact CA-O 3.25Å; Q129-V205 WeakPolarHBondContact CA-O 3.31Å; Q129-R206 HydrophobicContact CB-CG 3.79Å; Q129-R206 HydrophobicContact CG-CG 3.84Å; Q129-R206 VanDerWaalsContact OE1-CZ 3.26Å |
| 130 | V | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.7 | 168 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | M76 I81 Q85 L132 Y204 V205 F220 L222 | M76-V130 HydrophobicContact CE-CG2 4.3Å; M76-V130 HydrophobicContact SD-CG1 4.35Å; M76-V130 HydrophobicContact SD-CG2 3.89Å; I81-V130 HydrophobicContact CD1-CG1 4Å; I81-V130 HydrophobicContact CG2-CG1 3.92Å; Q85-V130 WeakPolarHBondContact O-CA 3.4Å; V130-L132 HydrophobicContact CG1-CD2 3.9Å; V130-Y204 WeakPolarHBondContact O-CA 3.39Å; V130-V205 PolarHBondContact N-O 2.87Å; V130-V205 PolarHBondContact O-N 2.89Å; V130-F220 HydrophobicContact CG2-CE2 3.8Å; V130-F220 HydrophobicContact CG2-CZ 3.55Å; V130-L222 HydrophobicContact CB-CD1 3.92Å; V130-L222 HydrophobicContact CG1-CD1 4.06Å; V130-L222 HydrophobicContact CG2-CD1 4.03Å |
| 131 | N | 94.9 | Very high | 91.7 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.5 | 168.2 | -177.6 | -1.6 | 0 | 0 | 0 | 109.2 | Q85 L133 Q203 Y204 | Q85-N131 WeakPolarHBondContact CB-O 3.47Å; Q85-N131 WeakPolarHBondContact CG-O 3.41Å; Q85-N131 PolarHBondContact NE2-O 2.76Å; Q85-N131 PolarHBondContact O-N 3.1Å; N131-L133 PolarHBondContact O-N 2.68Å; N131-L133 WeakPolarHBondContact OD1-CA 3.46Å; N131-L133 PolarHBondContact OD1-N 2.84Å; N131-Q203 PolarHBondContact OD1-NE2 2.86Å; N131-Y204 HydrophobicContact CB-CD1 3.81Å; N131-Y204 HydrophobicContact CB-CE1 3.68Å; N131-Y204 VanDerWaalsContact ND2-CE1 3.32Å; N131-Y204 WeakPolarHBondContact ND2-CE1 3.38Å; N131-Y204 PolarHBondContact ND2-OH 3.01Å |
| 132 | L | 91.1 | Very high | 92.1 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -2 | 179.4 | -57.3 | 173.7 | 0 | 0 | 0 | 112.8 | L74 I81 V130 R134 M136 V138 Q203 V205 L222 | L74-L132 HydrophobicContact CD1-CD1 4.11Å; L74-L132 HydrophobicContact CD1-CD2 4.04Å; I81-L132 HydrophobicContact CD1-CD2 4.1Å; V130-L132 HydrophobicContact CG1-CD2 3.9Å; L132-R134 PolarHBondContact O-N 3.33Å; L132-M136 HydrophobicContact CB-CG 3.85Å; L132-M136 HydrophobicContact CD1-CB 3.79Å; L132-M136 HydrophobicContact CD1-CG 3.74Å; L132-M136 HydrophobicContact CG-CG 4.34Å; L132-V138 HydrophobicContact CD1-CG2 3.83Å; L132-Q203 WeakPolarHBondContact CB-O 3.44Å; L132-Q203 PolarHBondContact N-O 2.77Å; L132-V205 HydrophobicContact CD1-CG2 4.13Å; L132-L222 HydrophobicContact CD2-CD1 4.15Å |
| 133 | L | 86.6 | Confident | 92.4 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 40% | 0.398 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 64.7 | -15.1 | -177.4 | -57.7 | 173.5 | 0 | 0 | 0 | 115.7 | Q85 N131 | Q85-L133 HydrophobicContact CG-CD1 4.04Å; Q85-L133 HydrophobicContact CG-CD2 4.18Å; Q85-L133 HydrophobicContact CG-CG 4.01Å; N131-L133 PolarHBondContact O-N 2.68Å; N131-L133 WeakPolarHBondContact OD1-CA 3.46Å; N131-L133 PolarHBondContact OD1-N 2.84Å |
| 134 | R | 82.7 | Confident | 92.5 | Very high | 51 Ų | 51 | 37.4 Ų | 37.4 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 176.2 | 173.1 | 73.4 | -172.6 | 121.7 | -75.8 | -46.6 | 110.3 | L132 M136 Q203 E226 L357 | L132-R134 PolarHBondContact O-N 3.33Å; R134-M136 HydrophobicContact CG-CG 4.38Å; R134-M136 HydrophobicContact CG-SD 3.78Å; R134-Q203 WeakPolarHBondContact O-CA 3.5Å; R134-E226 VanDerWaalsContact CD-OE1 3.29Å; R134-E226 WeakPolarHBondContact CD-OE1 3.08Å; R134-E226 IonicContact CZ-OE1 3Å; R134-E226 IonicContact NE-OE1 3.55Å; R134-E226 PolarHBondContact NE-OE1 3.45Å; R134-L357 VanDerWaalsContact CZ-CD1 3.46Å |
| 135 | R | 86.9 | Confident | 92.6 | Very high | 137 Ų | 137 | 29.5 Ų | 29.5 | 52% | 0.517 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.7 | 173.9 | -60.5 | 166.9 | 176 | -133.4 | 13.1 | 110.4 | L164 E201 L227 | R135-L164 HydrophobicContact CG-CD2 4.21Å; R135-E201 HydrophobicContact CB-CG 4.46Å; R135-E201 VanDerWaalsContact CD-OE1 3.28Å; R135-E201 WeakPolarHBondContact CD-OE1 3.3Å; R135-E201 IonicContact CZ-OE1 2.69Å; R135-E201 IonicContact NE-OE1 3.18Å; R135-E201 IonicContact NH1-OE1 2.61Å; R135-E201 PolarHBondContact NH1-OE1 3.1Å; R135-L227 HydrophobicContact CB-CD2 4.29Å |
| 136 | M | 87.6 | Confident | 92.5 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 6% | 0.064 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.1 | 177.9 | -56.6 | -66.3 | -71.7 | 0 | 0 | 108.6 | L74 L132 R134 A202 E226 | L74-M136 HydrophobicContact CD2-CE 3.82Å; L132-M136 HydrophobicContact CB-CG 3.85Å; L132-M136 HydrophobicContact CD1-CB 3.79Å; L132-M136 HydrophobicContact CD1-CG 3.74Å; L132-M136 HydrophobicContact CG-CG 4.34Å; R134-M136 HydrophobicContact CG-CG 4.38Å; R134-M136 HydrophobicContact CG-SD 3.78Å; M136-A202 PolarHBondContact N-O 3.32Å; M136-A202 PolarHBondContact O-N 2.8Å; M136-E226 HydrophobicContact CE-CB 4.21Å; M136-E226 HydrophobicContact CE-CG 4.06Å; M136-E226 HydrophobicContact SD-CB 4.35Å; M136-E226 HydrophobicContact SD-CG 3.74Å |
| 137 | W | 89.1 | Confident | 91.9 | Very high | 78 Ų | 78 | 26 Ų | 26 | 30% | 0.295 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.5 | 156.9 | -77.2 | 124 | 0 | 0 | 0 | 108.7 | P199 E201 G224 C225 L227 | W137-P199 HydrophobicContact CD2-CB 4.35Å; W137-P199 HydrophobicContact CE3-CB 3.74Å; W137-P199 HydrophobicContact CE3-CG 4.18Å; W137-P199 HydrophobicContact CZ3-CB 4.16Å; W137-P199 HydrophobicContact CZ3-CG 4.16Å; W137-P199 WeakPolarHBondContact CZ3-O 3.38Å; W137-E201 HydrophobicContact CE3-CB 4.45Å; W137-E201 HydrophobicContact CZ3-CB 4.21Å; W137-G224 CarbonylContact O-C 3.51Å; W137-G224 WeakPolarHBondContact O-CA 2.97Å; W137-C225 PolarHBondContact N-O 3.27Å; W137-C225 PolarHBondContact O-N 3.2Å; W137-C225 VanDerWaalsContact O-O 3.08Å; W137-L227 HydrophobicContact CD2-CD1 4.05Å; W137-L227 VanDerWaalsContact CE2-CD1 3.47Å; W137-L227 HydrophobicContact CG-CD1 4.33Å; W137-L227 HydrophobicContact CZ2-CD1 3.77Å |
| 138 | V | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.4 | 171.1 | -169.5 | 0 | 0 | 0 | 0 | 107.5 | L74 L132 F196 V200 A202 V205 | L74-V138 HydrophobicContact CD1-CG2 4.33Å; L132-V138 HydrophobicContact CD1-CG2 3.83Å; V138-F196 HydrophobicContact CB-CE2 4.25Å; V138-F196 HydrophobicContact CG1-CE2 3.77Å; V138-F196 HydrophobicContact CG1-CZ 4.35Å; V138-F196 WeakPolarHBondContact O-CD2 3.46Å; V138-V200 HydrophobicContact CB-CG2 4.01Å; V138-V200 PolarHBondContact N-O 3.3Å; V138-V200 PolarHBondContact O-N 3.31Å; V138-A202 HydrophobicContact CG2-CB 3.96Å; V138-V205 HydrophobicContact CG1-CG2 4.4Å; V138-V205 HydrophobicContact CG2-CG2 3.86Å |
| 139 | T | 91.6 | Very high | 89.8 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -6.6 | -169.9 | 62.6 | 0 | 0 | 0 | 0 | 113 | C70 L195 F196 P199 L223 G224 | C70-T139 HydrophobicContact CB-CG2 4.28Å; C70-T139 WeakPolarHBondContact O-CB 3.3Å; C70-T139 WeakPolarHBondContact O-CG2 3.43Å; C70-T139 PolarHBondContact O-OG1 3Å; C70-T139 VanDerWaalsContact SG-CG2 3.58Å; T139-L195 WeakPolarHBondContact O-CA 3.48Å; T139-F196 PolarHBondContact O-N 2.87Å; T139-P199 HydrophobicContact CG2-CB 3.85Å; T139-L223 PolarHBondContact N-O 2.7Å; T139-L223 PolarHBondContact OG1-O 2.84Å; T139-G224 WeakPolarHBondContact OG1-CA 3.48Å |
| 140 | G | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N194 L223 | G140-N194 CarbonylContact C-O 3.55Å; G140-N194 WeakPolarHBondContact CA-O 3.45Å; G140-L223 PolarHBondContact N-O 3.25Å; G140-L223 PolarHBondContact O-N 3.42Å |
| 141 | V | 95.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.2 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | T143 F158 V160 N194 F196 L207 F220 L222 | V141-T143 HydrophobicContact CG1-CG2 3.77Å; V141-F158 HydrophobicContact CB-CE2 4.37Å; V141-F158 HydrophobicContact CB-CZ 4.36Å; V141-F158 HydrophobicContact CG1-CE2 4.32Å; V141-F158 HydrophobicContact CG1-CZ 4.31Å; V141-V160 HydrophobicContact CG2-CG2 4.1Å; V141-N194 PolarHBondContact N-O 3.31Å; V141-N194 PolarHBondContact O-N 2.9Å; V141-F196 HydrophobicContact CG2-CE1 3.97Å; V141-F196 HydrophobicContact CG2-CZ 3.76Å; V141-L207 HydrophobicContact CG1-CD2 3.77Å; V141-L207 HydrophobicContact CG1-CG 4.5Å; V141-L207 HydrophobicContact CG2-CD1 4.49Å; V141-F220 HydrophobicContact CG1-CB 4.43Å; V141-F220 HydrophobicContact CG1-CD2 4.37Å; V141-L222 HydrophobicContact CG2-CD2 3.94Å |
| 142 | V | 95.3 | Very high | 87.5 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.1 | 170.3 | -176 | 0 | 0 | 0 | 0 | 108.4 | L108 V191 H192 V193 F220 E221 L223 | L108-V142 HydrophobicContact CD1-CG1 4Å; L108-V142 HydrophobicContact CD2-CB 4.36Å; L108-V142 HydrophobicContact CD2-CG1 3.7Å; V142-V191 HydrophobicContact CG1-CG1 3.14Å; V142-H192 WeakPolarHBondContact CA-O 3.17Å; V142-V193 HydrophobicContact CG1-CG2 4.26Å; V142-V193 HydrophobicContact CG2-CG1 4.3Å; V142-V193 HydrophobicContact CG2-CG2 4.13Å; V142-F220 CarbonylContact O-C 3.5Å; V142-F220 WeakPolarHBondContact O-CA 3.38Å; V142-F220 WeakPolarHBondContact O-CB 3.39Å; V142-E221 HydrophobicContact CB-CB 4.24Å; V142-E221 PolarHBondContact N-O 3.05Å; V142-E221 PolarHBondContact O-N 3.4Å; V142-L223 HydrophobicContact CG2-CD1 3.68Å; V142-L223 HydrophobicContact CG2-CD2 3.75Å; V142-L223 HydrophobicContact CG2-CG 3.71Å |
| 143 | T | 95.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.8 | -175 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | V141 F158 N185 V191 H192 L218 R219 | V141-T143 HydrophobicContact CG1-CG2 3.77Å; T143-F158 HydrophobicContact CG2-CE1 3.84Å; T143-F158 HydrophobicContact CG2-CZ 3.83Å; T143-N185 VanDerWaalsContact C-ND2 3.3Å; T143-N185 PolarHBondContact O-ND2 2.84Å; T143-N185 PolarHBondContact OG1-OD1 2.9Å; T143-V191 WeakPolarHBondContact O-CA 3.48Å; T143-H192 PolarHBondContact N-O 3.36Å; T143-H192 PolarHBondContact O-N 2.71Å; T143-H192 PolarHBondContact OG1-O 2.81Å; T143-L218 HydrophobicContact CG2-CD1 3.97Å; T143-R219 CarbonylContact C-O 3.6Å |
| 144 | Q | 93.1 | Very high | 87.7 | Confident | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 137.6 | 176.4 | -168.1 | -176.8 | 45.1 | 0 | 0 | 109.8 | L108 N109 N185 N189 V191 R219 | L108-Q144 HydrophobicContact CD1-CB 3.68Å; N109-Q144 PolarHBondContact OD1-NE2 2.95Å; Q144-N185 WeakPolarHBondContact CA-ND2 3.26Å; Q144-N185 WeakPolarHBondContact CA-OD1 3.47Å; Q144-N185 PolarHBondContact N-OD1 3.11Å; Q144-N189 PolarHBondContact NE2-O 3.34Å; Q144-V191 HydrophobicContact CG-CG2 4.44Å; Q144-R219 HydrophobicContact CB-CB 4.19Å; Q144-R219 VanDerWaalsContact CD-CZ 3.49Å; Q144-R219 VanDerWaalsContact CD-NH2 3.34Å; Q144-R219 PolarHBondContact N-O 3.08Å; Q144-R219 PolarHBondContact O-N 3.2Å |
| 145 | G | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -76.1 | -163.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N185 K188 R219 | G145-N185 PolarHBondContact N-OD1 2.93Å; G145-K188 CarbonylContact C-O 3.34Å; G145-K188 VanDerWaalsContact C-O 3.25Å; G145-K188 VanDerWaalsContact O-O 3.07Å; G145-R219 PolarHBondContact O-NE 2.97Å; G145-R219 PolarHBondContact O-NH2 2.94Å | ||
| 146 | A | 90.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | -167.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W101 A116 E153 K188 T217 | W101-A146 HydrophobicContact CZ3-CB 4.29Å; A116-A146 HydrophobicContact CB-CB 3.92Å; A146-E153 PolarHBondContact N-O 2.94Å; A146-E153 PolarHBondContact O-N 2.85Å; A146-E153 VanDerWaalsContact O-N 3.11Å; A146-K188 WeakPolarHBondContact O-CB 3.47Å; A146-T217 HydrophobicContact CB-CG2 3.64Å |
| 147 | S | 84.4 | Confident | 88.9 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 28% | 0.28 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 141.9 | 172.5 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | S151 K188 | S147-S151 CarbonylContact C-O 3.44Å; S147-S151 WeakPolarHBondContact CA-O 3.41Å; S147-S151 WeakPolarHBondContact CB-O 3.31Å; S147-K188 WeakPolarHBondContact OG-CD 3.28Å |
| 148 | R | 78.4 | Confident | 89.2 | Confident | 60 Ų | 60 | 30.7 Ų | 30.7 | 23% | 0.226 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.1 | -177.5 | -176.1 | 176.9 | 61.4 | 84.4 | 5.6 | 108.9 | W101 A150 S151 E153 | W101-R148 HydrophobicContact CH2-CB 4.44Å; W101-R148 HydrophobicContact CZ2-CB 4.17Å; W101-R148 HydrophobicContact CZ2-CG 4.07Å; R148-A150 VanDerWaalsContact C-N 3.34Å; R148-A150 PolarHBondContact O-N 2.87Å; R148-S151 PolarHBondContact N-O 3.32Å; R148-S151 WeakPolarHBondContact O-CB 3.47Å; R148-S151 PolarHBondContact O-N 3.43Å; R148-E153 VanDerWaalsContact CB-OE2 3.28Å; R148-E153 WeakPolarHBondContact CB-OE2 3.32Å; R148-E153 IonicContact CZ-OE1 2.7Å; R148-E153 IonicContact CZ-OE2 3.57Å; R148-E153 IonicContact NE-OE1 3.25Å; R148-E153 PolarHBondContact NE-OE1 3.31Å; R148-E153 VanDerWaalsContact NE-OE1 3.14Å; R148-E153 IonicContact NE-OE2 2.76Å; R148-E153 PolarHBondContact NE-OE2 2.67Å; R148-E153 IonicContact NH2-OE1 3.28Å; R148-E153 PolarHBondContact NH2-OE1 3.24Å; R148-E153 IonicContact NH2-OE2 2.71Å |
| 149 | L | 72.3 | Confident | 89.3 | Confident | 155 Ų | 155 | 33.7 Ų | 33.7 | 81% | 0.812 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 53.8 | 179.6 | -61.2 | 171.5 | 0 | 0 | 0 | 112.7 | S151 | L149-S151 PolarHBondContact O-N 2.76Š|
| 150 | A | 72.1 | Confident | 89.6 | Confident | 93 Ų | 93 | 33.1 Ų | 33.1 | 77% | 0.769 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -9.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | R148 | R148-A150 VanDerWaalsContact C-N 3.34Å; R148-A150 PolarHBondContact O-N 2.87Å |
| 151 | S | 81.3 | Confident | 89.8 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 30% | 0.301 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 141.4 | 171.5 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | S147 R148 L149 | S147-S151 CarbonylContact C-O 3.44Å; S147-S151 WeakPolarHBondContact CA-O 3.41Å; S147-S151 WeakPolarHBondContact CB-O 3.31Å; R148-S151 PolarHBondContact N-O 3.32Å; R148-S151 WeakPolarHBondContact O-CB 3.47Å; R148-S151 PolarHBondContact O-N 3.43Å; L149-S151 PolarHBondContact O-N 2.76Å |
| 152 | H | 87.3 | Confident | 89.8 | Confident | 82 Ų | 82 | 35.8 Ų | 35.8 | 38% | 0.38 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.6 | 177.5 | -61.6 | -73.4 | 0 | 0 | 0 | 109.8 | Y154 K188 H213 | H152-Y154 HydrophobicContact CB-CD1 4.23Å; H152-Y154 HydrophobicContact CB-CE1 4.16Å; H152-K188 VanDerWaalsContact ND1-CD 3.35Å; H152-K188 WeakPolarHBondContact ND1-CD 3.33Å; H152-K188 VanDerWaalsContact ND1-CG 3.33Å; H152-K188 WeakPolarHBondContact ND1-CG 3.41Å; H152-H213 PolarHBondContact O-ND1 2.77Å |
| 153 | E | 90.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.7 | -177.7 | -61.1 | -176 | 143.6 | 0 | 0 | 108.2 | A146 R148 H213 T214 A215 T217 | A146-E153 PolarHBondContact N-O 2.94Å; A146-E153 PolarHBondContact O-N 2.85Å; A146-E153 VanDerWaalsContact O-N 3.11Å; R148-E153 VanDerWaalsContact CB-OE2 3.28Å; R148-E153 WeakPolarHBondContact CB-OE2 3.32Å; R148-E153 IonicContact CZ-OE1 2.7Å; R148-E153 IonicContact CZ-OE2 3.57Å; R148-E153 IonicContact NE-OE1 3.25Å; R148-E153 PolarHBondContact NE-OE1 3.31Å; R148-E153 VanDerWaalsContact NE-OE1 3.14Å; R148-E153 IonicContact NE-OE2 2.76Å; R148-E153 PolarHBondContact NE-OE2 2.67Å; R148-E153 IonicContact NH2-OE1 3.28Å; R148-E153 PolarHBondContact NH2-OE1 3.24Å; R148-E153 IonicContact NH2-OE2 2.71Å; E153-H213 WeakPolarHBondContact CA-O 3.42Å; E153-T214 HydrophobicContact CG-CG2 3.95Å; E153-A215 HydrophobicContact CB-CB 4.25Å; E153-A215 HydrophobicContact CG-CB 4.26Å; E153-T217 WeakPolarHBondContact CB-OG1 3.37Å |
| 154 | Y | 91.6 | Very high | 89.7 | Confident | 30 Ų | 30 | 39 Ų | 39 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 151.3 | -174 | 60.5 | -90 | 0 | 0 | 0 | 113.7 | H152 K156 N185 W186 H213 A215 | H152-Y154 HydrophobicContact CB-CD1 4.23Å; H152-Y154 HydrophobicContact CB-CE1 4.16Å; Y154-K156 HydrophobicContact CD2-CG 4.28Å; Y154-K156 HydrophobicContact CE2-CG 3.96Å; Y154-N185 HydrophobicContact CD2-CB 4.15Å; Y154-N185 WeakPolarHBondContact CD2-O 3.31Å; Y154-N185 WeakPolarHBondContact CE2-O 3.4Å; Y154-W186 PolarHBondContact OH-O 2.92Å; Y154-H213 HydrophobicContact CD1-CB 3.71Å; Y154-H213 HydrophobicContact CD2-CB 3.88Å; Y154-H213 HydrophobicContact CE1-CB 3.39Å; Y154-H213 AromaticContact CE1-CG 3.34Å; Y154-H213 AromaticContact CE1-ND1 3.56Å; Y154-H213 HydrophobicContact CE2-CB 3.6Å; Y154-H213 HydrophobicContact CG-CB 3.94Å; Y154-H213 AromaticContact CZ-CD2 3.83Å; Y154-H213 AromaticContact CZ-CG 3.47Å; Y154-H213 VanDerWaalsContact CZ-CG 3.47Å; Y154-H213 PolarHBondContact N-O 3.28Å; Y154-H213 PolarHBondContact O-N 2.8Å; Y154-H213 PolarHBondContact OH-CD2 2.93Å; Y154-A215 PolarHBondContact N-O 2.95Å |
| 155 | L | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.8 | 171.7 | -172.6 | 59.7 | 0 | 0 | 0 | 110.7 | A157 F158 G184 N185 P209 T217 L218 | L155-A157 VanDerWaalsContact CD1-O 3.29Å; L155-A157 WeakPolarHBondContact CD1-O 3.35Å; L155-F158 HydrophobicContact CD1-CB 4.27Å; L155-F158 HydrophobicContact CD2-CB 3.89Å; L155-F158 HydrophobicContact CD2-CD1 3.72Å; L155-F158 HydrophobicContact CD2-CE1 4.49Å; L155-F158 HydrophobicContact CD2-CG 3.93Å; L155-F158 HydrophobicContact CG-CB 4.29Å; L155-F158 HydrophobicContact CG-CD1 4.18Å; L155-G184 CarbonylContact O-C 3.59Å; L155-G184 WeakPolarHBondContact O-CA 3.21Å; L155-N185 PolarHBondContact O-N 3.35Å; L155-P209 HydrophobicContact CD1-CB 3.52Å; L155-P209 HydrophobicContact CD1-CG 3.96Å; L155-T217 PolarHBondContact N-O 3.28Å; L155-L218 HydrophobicContact CB-CD1 4.48Å; L155-L218 HydrophobicContact CD2-CD1 3.77Å; L155-L218 HydrophobicContact CD2-CD2 4.19Å; L155-L218 HydrophobicContact CD2-CG 4.43Å |
| 156 | K | 93.1 | Very high | 89.5 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -32.5 | 176.7 | -65.5 | 179.5 | -176.9 | 172.2 | 0 | 113.5 | Y154 G184 S211 C212 H213 | Y154-K156 HydrophobicContact CD2-CG 4.28Å; Y154-K156 HydrophobicContact CE2-CG 3.96Å; K156-G184 WeakPolarHBondContact O-CA 3.37Å; K156-G184 PolarHBondContact O-N 3Å; K156-S211 WeakPolarHBondContact CA-O 3.48Å; K156-S211 WeakPolarHBondContact CB-O 3.18Å; K156-S211 PolarHBondContact N-O 3.09Å; K156-C212 VanDerWaalsContact CE-O 3.3Å; K156-C212 WeakPolarHBondContact CE-O 3.17Å; K156-C212 PolarHBondContact NZ-O 3.01Å; K156-H213 HydrophobicContact CG-CB 4.32Å |
| 157 | A | 94.6 | Very high | 89.5 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 12% | 0.116 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 150.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L155 E181 F182 T210 S211 | L155-A157 VanDerWaalsContact CD1-O 3.29Å; L155-A157 WeakPolarHBondContact CD1-O 3.35Å; A157-E181 HydrophobicContact CB-CG 3.98Å; A157-F182 VanDerWaalsContact CA-O 3.28Å; A157-F182 WeakPolarHBondContact CA-O 3.15Å; A157-T210 WeakPolarHBondContact CB-OG1 3.14Å; A157-T210 PolarHBondContact O-N 3.07Å; A157-T210 PolarHBondContact O-OG1 3.28Å; A157-T210 VanDerWaalsContact O-OG1 3.07Å; A157-S211 PolarHBondContact N-O 3.26Å; A157-S211 PolarHBondContact O-N 3.07Å |
| 158 | F | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 163.8 | 179.5 | 64.3 | -79.3 | 0 | 0 | 0 | 112.6 | V141 T143 L155 V160 F182 A183 L207 Y208 T210 | V141-F158 HydrophobicContact CB-CE2 4.37Å; V141-F158 HydrophobicContact CB-CZ 4.36Å; V141-F158 HydrophobicContact CG1-CE2 4.32Å; V141-F158 HydrophobicContact CG1-CZ 4.31Å; T143-F158 HydrophobicContact CG2-CE1 3.84Å; T143-F158 HydrophobicContact CG2-CZ 3.83Å; L155-F158 HydrophobicContact CD1-CB 4.27Å; L155-F158 HydrophobicContact CD2-CB 3.89Å; L155-F158 HydrophobicContact CD2-CD1 3.72Å; L155-F158 HydrophobicContact CD2-CE1 4.49Å; L155-F158 HydrophobicContact CD2-CG 3.93Å; L155-F158 HydrophobicContact CG-CB 4.29Å; L155-F158 HydrophobicContact CG-CD1 4.18Å; F158-V160 HydrophobicContact CD2-CG2 3.91Å; F158-V160 HydrophobicContact CE2-CG2 3.61Å; F158-F182 HydrophobicContact CD1-CB 4.07Å; F158-F182 HydrophobicContact CD2-CB 4.2Å; F158-F182 HydrophobicContact CD2-CD2 4.46Å; F158-F182 HydrophobicContact CE1-CB 3.68Å; F158-F182 HydrophobicContact CE2-CB 3.84Å; F158-F182 HydrophobicContact CE2-CD2 4.2Å; F158-F182 HydrophobicContact CE2-CG 4.18Å; F158-F182 HydrophobicContact CG-CB 4.31Å; F158-F182 HydrophobicContact CZ-CB 3.55Å; F158-F182 HydrophobicContact CZ-CG 4.22Å; F158-F182 PolarHBondContact N-O 3.39Å; F158-F182 VanDerWaalsContact N-O 3.08Å; F158-F182 PolarHBondContact O-N 3.11Å; F158-A183 WeakPolarHBondContact CE1-O 3.44Å; F158-L207 HydrophobicContact CD2-CG 4.33Å; F158-L207 HydrophobicContact CE2-CG 4.43Å; F158-Y208 CarbonylContact C-O 3.56Å; F158-Y208 VanDerWaalsContact CA-O 3.24Å; F158-Y208 WeakPolarHBondContact CA-O 3.14Å; F158-Y208 WeakPolarHBondContact CB-O 3.1Å; F158-T210 PolarHBondContact N-OG1 2.85Å |
| 159 | K | 96.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 54 Ų | 54 | 27% | 0.27 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 150.1 | 170 | -67.5 | 171 | 180 | 170 | 0 | 109.5 | F171 H179 Y208 T210 | K159-F171 HydrophobicContact CB-CD1 4.13Å; K159-F171 HydrophobicContact CB-CE1 4.2Å; K159-H179 HydrophobicContact CD-CB 4.14Å; K159-Y208 PolarHBondContact N-O 2.79Å; K159-Y208 PolarHBondContact O-N 3.07Å; K159-T210 HydrophobicContact CD-CG2 3.97Å; K159-T210 HydrophobicContact CG-CG2 3.97Å |
| 160 | V | 96.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.8 | 173.7 | -179 | 0 | 0 | 0 | 0 | 108.7 | V141 F158 F171 I172 F182 F196 V205 R206 | V141-V160 HydrophobicContact CG2-CG2 4.1Å; F158-V160 HydrophobicContact CD2-CG2 3.91Å; F158-V160 HydrophobicContact CE2-CG2 3.61Å; V160-F171 WeakPolarHBondContact O-CA 3.1Å; V160-I172 HydrophobicContact CB-CD1 3.87Å; V160-I172 HydrophobicContact CB-CG1 4.19Å; V160-I172 HydrophobicContact CG1-CD1 3.81Å; V160-I172 HydrophobicContact CG1-CG1 4.27Å; V160-I172 PolarHBondContact O-N 2.91Å; V160-F182 HydrophobicContact CB-CD2 4.46Å; V160-F182 HydrophobicContact CB-CE2 3.98Å; V160-F182 HydrophobicContact CG2-CD2 3.85Å; V160-F182 HydrophobicContact CG2-CE2 3.75Å; V160-F196 HydrophobicContact CB-CZ 4.46Å; V160-F196 HydrophobicContact CG1-CZ 3.99Å; V160-F196 HydrophobicContact CG2-CE1 4.21Å; V160-F196 HydrophobicContact CG2-CZ 4.3Å; V160-V205 HydrophobicContact CG1-CG1 3.99Å; V160-R206 WeakPolarHBondContact CA-O 3.19Å |
| 161 | A | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F169 N170 F171 R206 Y208 | A161-F169 HydrophobicContact CB-CB 4.02Å; A161-F169 HydrophobicContact CB-CD1 4.21Å; A161-N170 CarbonylContact C-O 3.42Å; A161-N170 WeakPolarHBondContact CA-O 3.37Å; A161-N170 WeakPolarHBondContact CB-O 3.38Å; A161-F171 HydrophobicContact CB-CD1 3.81Å; A161-F171 HydrophobicContact CB-CD2 4.49Å; A161-F171 HydrophobicContact CB-CE1 3.89Å; A161-F171 HydrophobicContact CB-CG 4.13Å; A161-F171 HydrophobicContact CB-CZ 4.27Å; A161-R206 PolarHBondContact N-O 2.7Å; A161-R206 PolarHBondContact O-N 3.18Å; A161-Y208 HydrophobicContact CB-CD2 4.34Å; A161-Y208 HydrophobicContact CB-CE2 3.76Å |
| 162 | Y | 96.1 | Very high | 93.3 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 154.7 | -176.6 | 63.6 | -79.4 | 0 | 0 | 0 | 111.2 | F169 N170 I172 V200 Y204 | Y162-F169 WeakPolarHBondContact O-CA 3.4Å; Y162-N170 WeakPolarHBondContact CD1-O 3.4Å; Y162-N170 HydrophobicContact CE1-CB 3.98Å; Y162-N170 HydrophobicContact CE2-CB 4.35Å; Y162-N170 PolarHBondContact N-O 2.76Å; Y162-N170 PolarHBondContact O-N 2.84Å; Y162-I172 HydrophobicContact CD1-CG1 4.07Å; Y162-I172 HydrophobicContact CE1-CG1 4.22Å; Y162-V200 HydrophobicContact CD1-CB 4.22Å; Y162-V200 HydrophobicContact CD1-CG1 4.19Å; Y162-V200 HydrophobicContact CD1-CG2 4.26Å; Y162-V200 HydrophobicContact CD2-CB 4.1Å; Y162-V200 HydrophobicContact CD2-CG2 4.45Å; Y162-V200 HydrophobicContact CE1-CB 4.31Å; Y162-V200 HydrophobicContact CE1-CG1 3.94Å; Y162-V200 HydrophobicContact CE2-CB 4.17Å; Y162-V200 HydrophobicContact CE2-CG1 4.48Å; Y162-V200 HydrophobicContact CG-CB 4.14Å; Y162-V200 HydrophobicContact CG-CG2 4.09Å; Y162-Y204 CarbonylContact C-O 3.53Å; Y162-Y204 WeakPolarHBondContact CA-O 3.5Å |
| 163 | S | 96.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 149.7 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | N165 G166 E168 Q203 Y204 | S163-N165 PolarHBondContact OG-N 3.35Å; S163-N165 PolarHBondContact OG-OD1 2.85Å; S163-G166 PolarHBondContact OG-N 3.39Å; S163-E168 WeakPolarHBondContact CB-O 3.47Å; S163-E168 PolarHBondContact OG-O 3.44Å; S163-Q203 PolarHBondContact O-N 3.26Å; S163-Y204 PolarHBondContact N-O 2.76Å; S163-Y204 PolarHBondContact O-N 3.25Å |
| 164 | L | 92.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -94.4 | -26.2 | 169.8 | -61.4 | 176.5 | 0 | 0 | 0 | 112.4 | R135 E201 | R135-L164 HydrophobicContact CG-CD2 4.21Å; L164-E201 HydrophobicContact CD2-CG 4.03Å |
| 165 | N | 90.7 | Very high | 92 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -106 | -16.1 | -174.7 | 63.5 | 20.9 | 0 | 0 | 0 | 113.9 | S163 H167 E168 | S163-N165 PolarHBondContact OG-N 3.35Å; S163-N165 PolarHBondContact OG-OD1 2.85Å; N165-H167 VanDerWaalsContact C-N 3.27Å; N165-H167 PolarHBondContact O-CD2 2.83Å; N165-H167 PolarHBondContact O-N 3.14Å; N165-H167 PolarHBondContact OD1-N 3.06Å; N165-E168 PolarHBondContact ND2-OE2 2.7Å; N165-E168 PolarHBondContact OD1-N 2.89Å |
| 166 | G | 89.1 | Confident | 91.4 | Very high | 16 Ų | 16 | 60 Ų | 60 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 79.4 | 4.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S163 F169 Y204 | S163-G166 PolarHBondContact OG-N 3.39Å; G166-F169 WeakPolarHBondContact O-CE2 3.29Å; G166-Y204 VanDerWaalsContact CA-CD2 3.46Å; G166-Y204 VanDerWaalsContact N-CD2 3.33Å |
| 167 | H | 89.5 | Confident | 90.6 | Very high | 167 Ų | 167 | 63.6 Ų | 63.6 | 77% | 0.773 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -112.8 | -49.2 | 178.7 | -67.1 | -78.6 | 0 | 0 | 0 | 111.7 | N165 | N165-H167 VanDerWaalsContact C-N 3.27Å; N165-H167 PolarHBondContact O-CD2 2.83Å; N165-H167 PolarHBondContact O-N 3.14Å; N165-H167 PolarHBondContact OD1-N 3.06Å |
| 168 | E | 93.4 | Very high | 90 | Very high | 140 Ų | 140 | 70.5 Ų | 70.5 | 65% | 0.654 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -102.1 | 123.7 | -179.3 | -65.4 | 168.5 | 151.8 | 0 | 0 | 109.5 | S163 N165 | S163-E168 WeakPolarHBondContact CB-O 3.47Å; S163-E168 PolarHBondContact OG-O 3.44Å; N165-E168 PolarHBondContact ND2-OE2 2.7Å; N165-E168 PolarHBondContact OD1-N 2.89Å |
| 169 | F | 94.4 | Very high | 89.6 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | trans | -118.3 | 123.9 | -175.8 | -78.2 | -95.9 | 0 | 0 | 0 | 111.1 | A161 Y162 G166 R206 | A161-F169 HydrophobicContact CB-CB 4.02Å; A161-F169 HydrophobicContact CB-CD1 4.21Å; Y162-F169 WeakPolarHBondContact O-CA 3.4Å; G166-F169 WeakPolarHBondContact O-CE2 3.29Å; F169-R206 HydrophobicContact CD1-CB 4.28Å; F169-R206 HydrophobicContact CD1-CG 4.06Å; F169-R206 HydrophobicContact CE1-CB 4.19Å; F169-R206 HydrophobicContact CE1-CG 3.59Å; F169-R206 VanDerWaalsContact CE2-NH2 3.3Å; F169-R206 HydrophobicContact CZ-CG 4.04Å; F169-R206 VanDerWaalsContact CZ-NE 3.34Å | ||
| 170 | N | 94.6 | Very high | 89.3 | Confident | 98 Ų | 98 | 73.8 Ų | 73.8 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.3 | 172.3 | -63.5 | -37 | 0 | 0 | 0 | 108.9 | A161 Y162 | A161-N170 CarbonylContact C-O 3.42Å; A161-N170 WeakPolarHBondContact CA-O 3.37Å; A161-N170 WeakPolarHBondContact CB-O 3.38Å; Y162-N170 WeakPolarHBondContact CD1-O 3.4Å; Y162-N170 HydrophobicContact CE1-CB 3.98Å; Y162-N170 HydrophobicContact CE2-CB 4.35Å; Y162-N170 PolarHBondContact N-O 2.76Å; Y162-N170 PolarHBondContact O-N 2.84Å |
| 171 | F | 94.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 153.5 | 173.8 | -74.5 | -87.8 | 0 | 0 | 0 | 110.4 | K159 V160 A161 H173 H179 Y208 | K159-F171 HydrophobicContact CB-CD1 4.13Å; K159-F171 HydrophobicContact CB-CE1 4.2Å; V160-F171 WeakPolarHBondContact O-CA 3.1Å; A161-F171 HydrophobicContact CB-CD1 3.81Å; A161-F171 HydrophobicContact CB-CD2 4.49Å; A161-F171 HydrophobicContact CB-CE1 3.89Å; A161-F171 HydrophobicContact CB-CG 4.13Å; A161-F171 HydrophobicContact CB-CZ 4.27Å; F171-H173 PolarHBondContact O-CD2 2.77Å; F171-H173 PolarHBondContact O-NE2 3.5Å; F171-H179 HydrophobicContact CB-CB 4.23Å; F171-H179 AromaticContact CD1-ND1 3.88Å; F171-H179 AromaticContact CD2-CE1 3.34Å; F171-H179 WeakPolarHBondContact CD2-CE1 3.44Å; F171-H179 AromaticContact CD2-ND1 3.53Å; F171-H179 AromaticContact CE2-CE1 3.85Å; F171-H179 AromaticContact CG-CE1 3.72Å; F171-H179 AromaticContact CG-CG 3.9Å; F171-H179 AromaticContact CG-ND1 3.44Å; F171-H179 WeakPolarHBondContact CG-ND1 3.08Å; F171-Y208 AromaticContact CE1-CD2 3.77Å; F171-Y208 HydrophobicContact CE1-CD2 3.77Å; F171-Y208 AromaticContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CG 4.3Å; F171-Y208 HydrophobicContact CZ-CD2 4.27Å; F171-Y208 HydrophobicContact CZ-CE2 4.07Å |
| 172 | I | 91.9 | Very high | 89 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 131.9 | 164.9 | -57.5 | -174.1 | 0 | 0 | 0 | 107.6 | V160 Y162 K180 F182 F196 V200 | V160-I172 HydrophobicContact CB-CD1 3.87Å; V160-I172 HydrophobicContact CB-CG1 4.19Å; V160-I172 HydrophobicContact CG1-CD1 3.81Å; V160-I172 HydrophobicContact CG1-CG1 4.27Å; V160-I172 PolarHBondContact O-N 2.91Å; Y162-I172 HydrophobicContact CD1-CG1 4.07Å; Y162-I172 HydrophobicContact CE1-CG1 4.22Å; I172-K180 HydrophobicContact CG2-CB 4.24Å; I172-K180 WeakPolarHBondContact O-CB 3.43Å; I172-K180 PolarHBondContact O-N 2.83Å; I172-F182 HydrophobicContact CB-CE2 4.31Å; I172-F182 HydrophobicContact CB-CZ 4.34Å; I172-F182 HydrophobicContact CD1-CE2 4.4Å; I172-F182 HydrophobicContact CD1-CZ 4.17Å; I172-F182 HydrophobicContact CG2-CZ 4.1Å; I172-F196 HydrophobicContact CD1-CD1 3.69Å; I172-F196 HydrophobicContact CD1-CD2 3.52Å; I172-F196 HydrophobicContact CD1-CE1 3.59Å; I172-F196 HydrophobicContact CD1-CE2 3.41Å; I172-F196 VanDerWaalsContact CD1-CE2 3.41Å; I172-F196 HydrophobicContact CD1-CG 3.67Å; I172-F196 HydrophobicContact CD1-CZ 3.46Å; I172-F196 VanDerWaalsContact CD1-CZ 3.46Å; I172-V200 HydrophobicContact CD1-CG1 4.34Å; I172-V200 HydrophobicContact CD1-CG2 4.49Å; I172-V200 HydrophobicContact CG1-CG1 4.33Å |
| 173 | H | 87.4 | Confident | 88.8 | Confident | 96 Ų | 96 | 78.8 Ų | 78.8 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -98.9 | 150.4 | 179.8 | -65.9 | -97.7 | 0 | 0 | 0 | 111.1 | F171 E177 K178 H179 | F171-H173 PolarHBondContact O-CD2 2.77Å; F171-H173 PolarHBondContact O-NE2 3.5Å; H173-E177 PolarHBondContact ND1-O 3.18Å; H173-K178 CarbonylContact C-O 3.52Å; H173-K178 WeakPolarHBondContact CA-O 3.33Å; H173-H179 AromaticContact CE1-CD2 3.91Å |
| 174 | D | 79.1 | Confident | 88.5 | Confident | 47 Ų | 47 | 78.6 Ų | 78.6 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 169.2 | 168.4 | -171.5 | 38.4 | 0 | 0 | 0 | 110.5 | N176 E177 K178 K180 | D174-N176 PolarHBondContact O-N 2.86Å; D174-N176 PolarHBondContact OD2-ND2 2.97Å; D174-N176 VanDerWaalsContact OD2-ND2 3.14Å; D174-E177 PolarHBondContact O-N 2.88Å; D174-K178 PolarHBondContact N-O 2.96Å; D174-K180 HydrophobicContact CB-CB 4.49Å; D174-K180 HydrophobicContact CB-CD 3.7Å; D174-K180 WeakPolarHBondContact OD1-CD 3.44Å; D174-K180 IonicContact OD1-NZ 3.53Å; D174-K180 PolarHBondContact OD1-NZ 2.88Å |
| 175 | V | 75.9 | Confident | 88.4 | Confident | 115 Ų | 115 | 75.1 Ų | 75.1 | 70% | 0.697 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -23.6 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | E197 | V175-E197 WeakPolarHBondContact CG2-OE2 3.27Š|
| 176 | N | 81.1 | Confident | 88.1 | Confident | 119 Ų | 119 | 81.1 Ų | 81.1 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 21.6 | 178.5 | -55.1 | -76.7 | 0 | 0 | 0 | 114.1 | D174 K178 | D174-N176 PolarHBondContact O-N 2.86Å; D174-N176 PolarHBondContact OD2-ND2 2.97Å; D174-N176 VanDerWaalsContact OD2-ND2 3.14Å; N176-K178 PolarHBondContact O-N 2.93Å |
| 177 | E | 75.5 | Confident | 87.7 | Confident | 167 Ų | 167 | 83.7 Ų | 83.7 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 57.6 | 3.7 | -178.1 | -59.6 | -171.1 | 154.4 | 0 | 0 | 116.5 | H173 D174 | H173-E177 PolarHBondContact ND1-O 3.18Å; D174-E177 PolarHBondContact O-N 2.88Å |
| 178 | K | 82.6 | Confident | 87 | Confident | 160 Ų | 160 | 78.7 Ų | 78.7 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -79.4 | 154.7 | 172.3 | -68.3 | -179.8 | -178.9 | 176.1 | 0 | 110.9 | H173 D174 N176 K180 | H173-K178 CarbonylContact C-O 3.52Å; H173-K178 WeakPolarHBondContact CA-O 3.33Å; D174-K178 PolarHBondContact N-O 2.96Å; N176-K178 PolarHBondContact O-N 2.93Å; K178-K180 PolarHBondContact O-N 2.77Å; K178-K180 VanDerWaalsContact O-N 3.12Å |
| 179 | H | 87.6 | Confident | 86.3 | Confident | 86 Ų | 86 | 76.5 Ų | 76.5 | 40% | 0.398 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -58.8 | 119.6 | 175.6 | -59.6 | -172.2 | 0 | 0 | 0 | 109.7 | K159 F171 H173 E181 | K159-H179 HydrophobicContact CD-CB 4.14Å; F171-H179 HydrophobicContact CB-CB 4.23Å; F171-H179 AromaticContact CD1-ND1 3.88Å; F171-H179 AromaticContact CD2-CE1 3.34Å; F171-H179 WeakPolarHBondContact CD2-CE1 3.44Å; F171-H179 AromaticContact CD2-ND1 3.53Å; F171-H179 AromaticContact CE2-CE1 3.85Å; F171-H179 AromaticContact CG-CE1 3.72Å; F171-H179 AromaticContact CG-CG 3.9Å; F171-H179 AromaticContact CG-ND1 3.44Å; F171-H179 WeakPolarHBondContact CG-ND1 3.08Å; H173-H179 AromaticContact CE1-CD2 3.91Å; H179-E181 PolarHBondContact O-N 3.12Å |
| 180 | K | 90.3 | Very high | 85.9 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 19% | 0.191 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 122.3 | -179.8 | -168.9 | 80.7 | -179.1 | -166.5 | 0 | 109.5 | I172 D174 K178 F182 E197 | I172-K180 HydrophobicContact CG2-CB 4.24Å; I172-K180 WeakPolarHBondContact O-CB 3.43Å; I172-K180 PolarHBondContact O-N 2.83Å; D174-K180 HydrophobicContact CB-CB 4.49Å; D174-K180 HydrophobicContact CB-CD 3.7Å; D174-K180 WeakPolarHBondContact OD1-CD 3.44Å; D174-K180 IonicContact OD1-NZ 3.53Å; D174-K180 PolarHBondContact OD1-NZ 2.88Å; K178-K180 PolarHBondContact O-N 2.77Å; K178-K180 VanDerWaalsContact O-N 3.12Å; K180-F182 HydrophobicContact CB-CE2 4.02Å; K180-F182 HydrophobicContact CB-CZ 4.14Å; K180-F182 HydrophobicContact CG-CD1 4.39Å; K180-F182 HydrophobicContact CG-CD2 4.38Å; K180-F182 HydrophobicContact CG-CE1 3.95Å; K180-F182 HydrophobicContact CG-CE2 3.94Å; K180-F182 HydrophobicContact CG-CZ 3.72Å; K180-E197 IonicContact NZ-OE1 3.88Å; K180-E197 PolarHBondContact NZ-OE1 2.8Å |
| 181 | E | 92.8 | Very high | 85.6 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.3 | 170.1 | -175.1 | 156.8 | -131.7 | 0 | 0 | 108.8 | A157 H179 T210 | A157-E181 HydrophobicContact CB-CG 3.98Å; H179-E181 PolarHBondContact O-N 3.12Å; E181-T210 WeakPolarHBondContact OE1-CB 3.31Å; E181-T210 PolarHBondContact OE1-OG1 2.96Å |
| 182 | F | 92.9 | Very high | 85.4 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 4% | 0.044 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.7 | -179.3 | -66.5 | -82.2 | 0 | 0 | 0 | 110.3 | A157 F158 V160 I172 K180 N194 F196 | A157-F182 VanDerWaalsContact CA-O 3.28Å; A157-F182 WeakPolarHBondContact CA-O 3.15Å; F158-F182 HydrophobicContact CD1-CB 4.07Å; F158-F182 HydrophobicContact CD2-CB 4.2Å; F158-F182 HydrophobicContact CD2-CD2 4.46Å; F158-F182 HydrophobicContact CE1-CB 3.68Å; F158-F182 HydrophobicContact CE2-CB 3.84Å; F158-F182 HydrophobicContact CE2-CD2 4.2Å; F158-F182 HydrophobicContact CE2-CG 4.18Å; F158-F182 HydrophobicContact CG-CB 4.31Å; F158-F182 HydrophobicContact CZ-CB 3.55Å; F158-F182 HydrophobicContact CZ-CG 4.22Å; F158-F182 PolarHBondContact N-O 3.39Å; F158-F182 VanDerWaalsContact N-O 3.08Å; F158-F182 PolarHBondContact O-N 3.11Å; V160-F182 HydrophobicContact CB-CD2 4.46Å; V160-F182 HydrophobicContact CB-CE2 3.98Å; V160-F182 HydrophobicContact CG2-CD2 3.85Å; V160-F182 HydrophobicContact CG2-CE2 3.75Å; I172-F182 HydrophobicContact CB-CE2 4.31Å; I172-F182 HydrophobicContact CB-CZ 4.34Å; I172-F182 HydrophobicContact CD1-CE2 4.4Å; I172-F182 HydrophobicContact CD1-CZ 4.17Å; I172-F182 HydrophobicContact CG2-CZ 4.1Å; K180-F182 HydrophobicContact CB-CE2 4.02Å; K180-F182 HydrophobicContact CB-CZ 4.14Å; K180-F182 HydrophobicContact CG-CD1 4.39Å; K180-F182 HydrophobicContact CG-CD2 4.38Å; K180-F182 HydrophobicContact CG-CE1 3.95Å; K180-F182 HydrophobicContact CG-CE2 3.94Å; K180-F182 HydrophobicContact CG-CZ 3.72Å; F182-N194 HydrophobicContact CD1-CB 3.77Å; F182-N194 HydrophobicContact CE1-CB 4.43Å; F182-N194 HydrophobicContact CG-CB 4.45Å; F182-F196 AromaticContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CE1 4.09Å; F182-F196 HydrophobicContact CE2-CE1 4.37Å; F182-F196 AromaticContact CZ-CD1 3.58Å; F182-F196 HydrophobicContact CZ-CD1 3.58Å; F182-F196 AromaticContact CZ-CE1 3.77Å; F182-F196 HydrophobicContact CZ-CE1 3.77Å |
| 183 | A | 91.9 | Very high | 85.4 | Confident | 44 Ų | 44 | 78.9 Ų | 78.9 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 134.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | F158 H192 N194 | F158-A183 WeakPolarHBondContact CE1-O 3.44Å; A183-H192 PolarHBondContact O-CD2 2.84Å; A183-N194 PolarHBondContact O-ND2 3.29Å; A183-N194 PolarHBondContact O-OD1 2.87Å |
| 184 | G | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -90.3 | -152.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L155 K156 H192 | L155-G184 CarbonylContact O-C 3.59Å; L155-G184 WeakPolarHBondContact O-CA 3.21Å; K156-G184 WeakPolarHBondContact O-CA 3.37Å; K156-G184 PolarHBondContact O-N 3Å; G184-H192 PolarHBondContact O-CD2 2.87Å | ||
| 185 | N | 91.6 | Very high | 86 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | trans | -81.7 | 156.2 | 177.4 | -56.7 | 103 | 0 | 0 | 0 | 112 | T143 Q144 G145 Y154 L155 A190 | T143-N185 VanDerWaalsContact C-ND2 3.3Å; T143-N185 PolarHBondContact O-ND2 2.84Å; T143-N185 PolarHBondContact OG1-OD1 2.9Å; Q144-N185 WeakPolarHBondContact CA-ND2 3.26Å; Q144-N185 WeakPolarHBondContact CA-OD1 3.47Å; Q144-N185 PolarHBondContact N-OD1 3.11Å; G145-N185 PolarHBondContact N-OD1 2.93Å; Y154-N185 HydrophobicContact CD2-CB 4.15Å; Y154-N185 WeakPolarHBondContact CD2-O 3.31Å; Y154-N185 WeakPolarHBondContact CE2-O 3.4Å; L155-N185 PolarHBondContact O-N 3.35Å; N185-A190 PolarHBondContact ND2-O 2.98Å | ||
| 186 | W | 83.4 | Confident | 86.6 | Confident | 196 Ų | 196 | 73 Ų | 73 | 74% | 0.742 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -103 | -10.4 | 167.6 | -58.2 | -48.7 | 0 | 0 | 0 | 113.5 | Y154 | Y154-W186 PolarHBondContact OH-O 2.92Š|
| 187 | N | 81.3 | Confident | 86.6 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -155.4 | 177.4 | 175.7 | 71.8 | 63.9 | 0 | 0 | 0 | 111.9 | N189 A190 | N187-N189 PolarHBondContact O-N 3.45Å; N187-N189 PolarHBondContact OD1-N 2.82Å; N187-A190 WeakPolarHBondContact ND2-CB 3.22Å; N187-A190 WeakPolarHBondContact OD1-CB 3.49Å; N187-A190 PolarHBondContact OD1-N 2.83Å |
| 188 | K | 75.1 | Confident | 86.8 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 27% | 0.27 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -67.3 | -24.2 | -174.5 | 62.7 | 162.6 | -179.1 | -168.1 | 0 | 117 | G145 A146 S147 H152 R219 | G145-K188 CarbonylContact C-O 3.34Å; G145-K188 VanDerWaalsContact C-O 3.25Å; G145-K188 VanDerWaalsContact O-O 3.07Å; A146-K188 WeakPolarHBondContact O-CB 3.47Å; S147-K188 WeakPolarHBondContact OG-CD 3.28Å; H152-K188 VanDerWaalsContact ND1-CD 3.35Å; H152-K188 WeakPolarHBondContact ND1-CD 3.33Å; H152-K188 VanDerWaalsContact ND1-CG 3.33Å; H152-K188 WeakPolarHBondContact ND1-CG 3.41Å; K188-R219 PolarHBondContact O-NH2 3.18Å; K188-R219 VanDerWaalsContact O-NH2 3.11Å |
| 189 | N | 78.8 | Confident | 86.9 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -119.5 | -32.5 | -165.6 | -76.6 | -0.2 | 0 | 0 | 0 | 112.9 | Q144 N187 V191 | Q144-N189 PolarHBondContact NE2-O 3.34Å; N187-N189 PolarHBondContact O-N 3.45Å; N187-N189 PolarHBondContact OD1-N 2.82Å; N189-V191 PolarHBondContact O-N 3.3Å |
| 190 | A | 85.5 | Confident | 87 | Confident | 45 Ų | 45 | 60 Ų | 60 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | trans | -64.2 | 121.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | N185 N187 | N185-A190 PolarHBondContact ND2-O 2.98Å; N187-A190 WeakPolarHBondContact ND2-CB 3.22Å; N187-A190 WeakPolarHBondContact OD1-CB 3.49Å; N187-A190 PolarHBondContact OD1-N 2.83Å | ||
| 191 | V | 89.1 | Confident | 87.1 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 42% | 0.418 | 32% | 0.319 | S | S | . | . | trans | -74.1 | 128.9 | 173.2 | 179 | 0 | 0 | 0 | 0 | 108.2 | L108 V142 T143 Q144 N189 | L108-V191 HydrophobicContact CD1-CG1 4.4Å; L108-V191 HydrophobicContact CD1-CG2 4.44Å; V142-V191 HydrophobicContact CG1-CG1 3.14Å; T143-V191 WeakPolarHBondContact O-CA 3.48Å; Q144-V191 HydrophobicContact CG-CG2 4.44Å; N189-V191 PolarHBondContact O-N 3.3Å | ||
| 192 | H | 90 | Very high | 87.1 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.5 | 179 | -170.8 | 68.2 | 0 | 0 | 0 | 110.2 | V142 T143 A183 G184 N194 | V142-H192 WeakPolarHBondContact CA-O 3.17Å; T143-H192 PolarHBondContact N-O 3.36Å; T143-H192 PolarHBondContact O-N 2.71Å; T143-H192 PolarHBondContact OG1-O 2.81Å; A183-H192 PolarHBondContact O-CD2 2.84Å; G184-H192 PolarHBondContact O-CD2 2.87Å; H192-N194 PolarHBondContact CD2-ND2 2.86Å |
| 193 | V | 91.3 | Very high | 87.1 | Confident | 77 Ų | 77 | 57 Ų | 57 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.7 | -173.5 | -176.9 | 0 | 0 | 0 | 0 | 109 | V142 L195 L223 | V142-V193 HydrophobicContact CG1-CG2 4.26Å; V142-V193 HydrophobicContact CG2-CG1 4.3Å; V142-V193 HydrophobicContact CG2-CG2 4.13Å; V193-L195 HydrophobicContact CG1-CD2 4.21Å; V193-L195 HydrophobicContact CG1-CG 4.35Å; V193-L223 HydrophobicContact CG1-CD1 4.05Å |
| 194 | N | 90.7 | Very high | 87.3 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116.4 | 168.3 | -71 | -90.2 | 0 | 0 | 0 | 108.3 | G140 V141 F182 A183 H192 | G140-N194 CarbonylContact C-O 3.55Å; G140-N194 WeakPolarHBondContact CA-O 3.45Å; V141-N194 PolarHBondContact N-O 3.31Å; V141-N194 PolarHBondContact O-N 2.9Å; F182-N194 HydrophobicContact CD1-CB 3.77Å; F182-N194 HydrophobicContact CE1-CB 4.43Å; F182-N194 HydrophobicContact CG-CB 4.45Å; A183-N194 PolarHBondContact O-ND2 3.29Å; A183-N194 PolarHBondContact O-OD1 2.87Å; H192-N194 PolarHBondContact CD2-ND2 2.86Å |
| 195 | L | 89 | Confident | 87.7 | Confident | 98 Ų | 98 | 57 Ų | 57 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 150 | 166.2 | -61.6 | 179.1 | 0 | 0 | 0 | 109.2 | I71 T139 V193 L223 | I71-L195 HydrophobicContact CG2-CD2 4.43Å; T139-L195 WeakPolarHBondContact O-CA 3.48Å; V193-L195 HydrophobicContact CG1-CD2 4.21Å; V193-L195 HydrophobicContact CG1-CG 4.35Å; L195-L223 HydrophobicContact CD2-CD1 3.95Å |
| 196 | F | 88.4 | Confident | 88 | Confident | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 142.2 | 172 | -52.1 | -24 | 0 | 0 | 0 | 108.9 | V138 T139 V141 V160 I172 F182 T198 V200 | V138-F196 HydrophobicContact CB-CE2 4.25Å; V138-F196 HydrophobicContact CG1-CE2 3.77Å; V138-F196 HydrophobicContact CG1-CZ 4.35Å; V138-F196 WeakPolarHBondContact O-CD2 3.46Å; T139-F196 PolarHBondContact O-N 2.87Å; V141-F196 HydrophobicContact CG2-CE1 3.97Å; V141-F196 HydrophobicContact CG2-CZ 3.76Å; V160-F196 HydrophobicContact CB-CZ 4.46Å; V160-F196 HydrophobicContact CG1-CZ 3.99Å; V160-F196 HydrophobicContact CG2-CE1 4.21Å; V160-F196 HydrophobicContact CG2-CZ 4.3Å; I172-F196 HydrophobicContact CD1-CD1 3.69Å; I172-F196 HydrophobicContact CD1-CD2 3.52Å; I172-F196 HydrophobicContact CD1-CE1 3.59Å; I172-F196 HydrophobicContact CD1-CE2 3.41Å; I172-F196 VanDerWaalsContact CD1-CE2 3.41Å; I172-F196 HydrophobicContact CD1-CG 3.67Å; I172-F196 HydrophobicContact CD1-CZ 3.46Å; I172-F196 VanDerWaalsContact CD1-CZ 3.46Å; F182-F196 AromaticContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CE1 4.09Å; F182-F196 HydrophobicContact CE2-CE1 4.37Å; F182-F196 AromaticContact CZ-CD1 3.58Å; F182-F196 HydrophobicContact CZ-CD1 3.58Å; F182-F196 AromaticContact CZ-CE1 3.77Å; F182-F196 HydrophobicContact CZ-CE1 3.77Å; F196-T198 VanDerWaalsContact C-N 3.27Å; F196-T198 WeakPolarHBondContact CB-O 3.48Å; F196-T198 PolarHBondContact O-N 2.88Å; F196-V200 HydrophobicContact CD2-CG2 4.12Å; F196-V200 HydrophobicContact CE2-CG2 3.99Å |
| 197 | E | 80.9 | Confident | 88.6 | Confident | 111 Ų | 111 | 49.7 Ų | 49.7 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | -36.6 | 175.7 | -72.9 | 164.4 | -148.2 | 0 | 0 | 111.1 | V175 K180 | V175-E197 WeakPolarHBondContact CG2-OE2 3.27Å; K180-E197 IonicContact NZ-OE1 3.88Å; K180-E197 PolarHBondContact NZ-OE1 2.8Å |
| 198 | T | 79.3 | Confident | 89.4 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 52% | 0.521 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.9 | 170.6 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | F196 | F196-T198 VanDerWaalsContact C-N 3.27Å; F196-T198 WeakPolarHBondContact CB-O 3.48Å; F196-T198 PolarHBondContact O-N 2.88Å |
| 199 | P | 85.3 | Confident | 90.3 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 34% | 0.344 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 141.9 | 173.7 | 32.1 | -36.6 | 0 | 0 | 0 | 109.8 | W137 T139 | W137-P199 HydrophobicContact CD2-CB 4.35Å; W137-P199 HydrophobicContact CE3-CB 3.74Å; W137-P199 HydrophobicContact CE3-CG 4.18Å; W137-P199 HydrophobicContact CZ3-CB 4.16Å; W137-P199 HydrophobicContact CZ3-CG 4.16Å; W137-P199 WeakPolarHBondContact CZ3-O 3.38Å; T139-P199 HydrophobicContact CG2-CB 3.85Å |
| 200 | V | 90.5 | Very high | 91 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.3 | 179.9 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | V138 Y162 I172 F196 A202 | V138-V200 HydrophobicContact CB-CG2 4.01Å; V138-V200 PolarHBondContact N-O 3.3Å; V138-V200 PolarHBondContact O-N 3.31Å; Y162-V200 HydrophobicContact CD1-CB 4.22Å; Y162-V200 HydrophobicContact CD1-CG1 4.19Å; Y162-V200 HydrophobicContact CD1-CG2 4.26Å; Y162-V200 HydrophobicContact CD2-CB 4.1Å; Y162-V200 HydrophobicContact CD2-CG2 4.45Å; Y162-V200 HydrophobicContact CE1-CB 4.31Å; Y162-V200 HydrophobicContact CE1-CG1 3.94Å; Y162-V200 HydrophobicContact CE2-CB 4.17Å; Y162-V200 HydrophobicContact CE2-CG1 4.48Å; Y162-V200 HydrophobicContact CG-CB 4.14Å; Y162-V200 HydrophobicContact CG-CG2 4.09Å; I172-V200 HydrophobicContact CD1-CG1 4.34Å; I172-V200 HydrophobicContact CD1-CG2 4.49Å; I172-V200 HydrophobicContact CG1-CG1 4.33Å; F196-V200 HydrophobicContact CD2-CG2 4.12Å; F196-V200 HydrophobicContact CE2-CG2 3.99Å; V200-A202 PolarHBondContact O-N 2.79Å |
| 201 | E | 91.1 | Very high | 91.4 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 27% | 0.271 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 118 | 170.8 | -170.3 | -166.9 | 157.8 | 0 | 0 | 108.8 | R135 W137 L164 L227 | R135-E201 HydrophobicContact CB-CG 4.46Å; R135-E201 VanDerWaalsContact CD-OE1 3.28Å; R135-E201 WeakPolarHBondContact CD-OE1 3.3Å; R135-E201 IonicContact CZ-OE1 2.69Å; R135-E201 IonicContact NE-OE1 3.18Å; R135-E201 IonicContact NH1-OE1 2.61Å; R135-E201 PolarHBondContact NH1-OE1 3.1Å; W137-E201 HydrophobicContact CE3-CB 4.45Å; W137-E201 HydrophobicContact CZ3-CB 4.21Å; L164-E201 HydrophobicContact CD2-CG 4.03Å; E201-L227 HydrophobicContact CG-CD1 4.25Å; E201-L227 HydrophobicContact CG-CD2 4.28Å |
| 202 | A | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M136 V138 V200 V205 | M136-A202 PolarHBondContact N-O 3.32Å; M136-A202 PolarHBondContact O-N 2.8Å; V138-A202 HydrophobicContact CG2-CB 3.96Å; V200-A202 PolarHBondContact O-N 2.79Å; A202-V205 HydrophobicContact CB-CG2 4.04Å |
| 203 | Q | 93 | Very high | 91.6 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -35.2 | 159.4 | 175.7 | 171.7 | -19.2 | 0 | 0 | 111.1 | N131 L132 R134 S163 | N131-Q203 PolarHBondContact OD1-NE2 2.86Å; L132-Q203 WeakPolarHBondContact CB-O 3.44Å; L132-Q203 PolarHBondContact N-O 2.77Å; R134-Q203 WeakPolarHBondContact O-CA 3.5Å; S163-Q203 PolarHBondContact O-N 3.26Å |
| 204 | Y | 96.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.5 | 177.6 | -58.3 | -96.7 | 0 | 0 | 0 | 109.2 | V130 N131 Y162 S163 G166 | V130-Y204 WeakPolarHBondContact O-CA 3.39Å; N131-Y204 HydrophobicContact CB-CD1 3.81Å; N131-Y204 HydrophobicContact CB-CE1 3.68Å; N131-Y204 VanDerWaalsContact ND2-CE1 3.32Å; N131-Y204 WeakPolarHBondContact ND2-CE1 3.38Å; N131-Y204 PolarHBondContact ND2-OH 3.01Å; Y162-Y204 CarbonylContact C-O 3.53Å; Y162-Y204 WeakPolarHBondContact CA-O 3.5Å; S163-Y204 PolarHBondContact N-O 2.76Å; S163-Y204 PolarHBondContact O-N 3.25Å; G166-Y204 VanDerWaalsContact CA-CD2 3.46Å; G166-Y204 VanDerWaalsContact N-CD2 3.33Å |
| 205 | V | 97.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.7 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | Q129 V130 L132 V138 V160 A202 L207 L222 | Q129-V205 CarbonylContact C-O 3.55Å; Q129-V205 VanDerWaalsContact CA-O 3.25Å; Q129-V205 WeakPolarHBondContact CA-O 3.31Å; V130-V205 PolarHBondContact N-O 2.87Å; V130-V205 PolarHBondContact O-N 2.89Å; L132-V205 HydrophobicContact CD1-CG2 4.13Å; V138-V205 HydrophobicContact CG1-CG2 4.4Å; V138-V205 HydrophobicContact CG2-CG2 3.86Å; V160-V205 HydrophobicContact CG1-CG1 3.99Å; A202-V205 HydrophobicContact CB-CG2 4.04Å; V205-L207 HydrophobicContact CG1-CD1 3.91Å; V205-L222 HydrophobicContact CB-CD1 4.14Å; V205-L222 HydrophobicContact CG1-CD1 4.44Å; V205-L222 HydrophobicContact CG1-CD2 4.13Å; V205-L222 HydrophobicContact CG2-CD1 4.22Å |
| 206 | R | 97.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.8 | 173.4 | -78.8 | -176 | -175.7 | 165.3 | 6.5 | 111.1 | W127 I128 Q129 V160 A161 F169 Y208 | W127-R206 HydrophobicContact CE3-CG 4.37Å; I128-R206 CarbonylContact O-C 3.38Å; I128-R206 VanDerWaalsContact O-CA 3.29Å; I128-R206 WeakPolarHBondContact O-CA 3.43Å; Q129-R206 HydrophobicContact CB-CG 3.79Å; Q129-R206 HydrophobicContact CG-CG 3.84Å; Q129-R206 VanDerWaalsContact OE1-CZ 3.26Å; V160-R206 WeakPolarHBondContact CA-O 3.19Å; A161-R206 PolarHBondContact N-O 2.7Å; A161-R206 PolarHBondContact O-N 3.18Å; F169-R206 HydrophobicContact CD1-CB 4.28Å; F169-R206 HydrophobicContact CD1-CG 4.06Å; F169-R206 HydrophobicContact CE1-CB 4.19Å; F169-R206 HydrophobicContact CE1-CG 3.59Å; F169-R206 VanDerWaalsContact CE2-NH2 3.3Å; F169-R206 HydrophobicContact CZ-CG 4.04Å; F169-R206 VanDerWaalsContact CZ-NE 3.34Å; R206-Y208 HydrophobicContact CB-CD2 4.14Å; R206-Y208 HydrophobicContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CD-OH 3.24Å; R206-Y208 WeakPolarHBondContact CD-OH 3.32Å; R206-Y208 HydrophobicContact CG-CE2 4.41Å; R206-Y208 PolarHBondContact NH1-OH 3.18Å |
| 207 | L | 97.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.8 | 169.2 | -75.6 | 56.7 | 0 | 0 | 0 | 108 | W127 I128 V141 F158 V205 L218 F220 L222 | W127-L207 VanDerWaalsContact CA-O 3.3Å; W127-L207 WeakPolarHBondContact CA-O 3.42Å; I128-L207 HydrophobicContact CG2-CB 3.99Å; I128-L207 PolarHBondContact N-O 2.99Å; I128-L207 VanDerWaalsContact N-O 3.09Å; I128-L207 PolarHBondContact O-N 3.46Å; V141-L207 HydrophobicContact CG1-CD2 3.77Å; V141-L207 HydrophobicContact CG1-CG 4.5Å; V141-L207 HydrophobicContact CG2-CD1 4.49Å; F158-L207 HydrophobicContact CD2-CG 4.33Å; F158-L207 HydrophobicContact CE2-CG 4.43Å; V205-L207 HydrophobicContact CG1-CD1 3.91Å; L207-L218 HydrophobicContact CD2-CD2 3.79Å; L207-F220 HydrophobicContact CD1-CE2 4.29Å; L207-F220 HydrophobicContact CD2-CD1 4.43Å; L207-F220 HydrophobicContact CD2-CD2 3.83Å; L207-F220 HydrophobicContact CD2-CE2 4.03Å; L207-F220 HydrophobicContact CD2-CG 4.03Å; L207-F220 HydrophobicContact CD2-CZ 4.42Å; L207-L222 HydrophobicContact CD1-CD2 4.36Å |
| 208 | Y | 96.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 9% | 0.09 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 104.5 | 179.8 | -69.6 | -96 | 0 | 0 | 0 | 109.6 | W127 F158 K159 A161 F171 R206 T210 | W127-Y208 HydrophobicContact CB-CD1 3.78Å; W127-Y208 HydrophobicContact CB-CE1 3.68Å; W127-Y208 HydrophobicContact CB-CG 4.27Å; W127-Y208 AromaticContact CD1-CE1 3.94Å; W127-Y208 HydrophobicContact CG-CE1 4.06Å; F158-Y208 CarbonylContact C-O 3.56Å; F158-Y208 VanDerWaalsContact CA-O 3.24Å; F158-Y208 WeakPolarHBondContact CA-O 3.14Å; F158-Y208 WeakPolarHBondContact CB-O 3.1Å; K159-Y208 PolarHBondContact N-O 2.79Å; K159-Y208 PolarHBondContact O-N 3.07Å; A161-Y208 HydrophobicContact CB-CD2 4.34Å; A161-Y208 HydrophobicContact CB-CE2 3.76Å; F171-Y208 AromaticContact CE1-CD2 3.77Å; F171-Y208 HydrophobicContact CE1-CD2 3.77Å; F171-Y208 AromaticContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CG 4.3Å; F171-Y208 HydrophobicContact CZ-CD2 4.27Å; F171-Y208 HydrophobicContact CZ-CE2 4.07Å; R206-Y208 HydrophobicContact CB-CD2 4.14Å; R206-Y208 HydrophobicContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CD-OH 3.24Å; R206-Y208 WeakPolarHBondContact CD-OH 3.32Å; R206-Y208 HydrophobicContact CG-CE2 4.41Å; R206-Y208 PolarHBondContact NH1-OH 3.18Å; Y208-T210 PolarHBondContact O-N 3.14Å |
| 209 | P | 95.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 129.5 | 171.2 | -28.8 | 38.2 | 0 | 0 | 0 | 113.1 | W117 P126 L155 C216 | W117-P209 HydrophobicContact CH2-CG 4.22Å; W117-P209 HydrophobicContact CZ3-CG 4.08Å; P126-P209 HydrophobicContact CG-CB 4.26Å; P126-P209 HydrophobicContact CG-CG 4.36Å; P126-P209 VanDerWaalsContact O-CD 3.29Å; P126-P209 WeakPolarHBondContact O-CD 3.05Å; L155-P209 HydrophobicContact CD1-CB 3.52Å; L155-P209 HydrophobicContact CD1-CG 3.96Å; P209-C216 HydrophobicContact CB-CB 3.95Å; P209-C216 HydrophobicContact CG-CB 4.26Å |
| 210 | T | 93.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 27.7 Ų | 27.7 | 37% | 0.368 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -33.8 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | A157 F158 K159 E181 Y208 | A157-T210 WeakPolarHBondContact CB-OG1 3.14Å; A157-T210 PolarHBondContact O-N 3.07Å; A157-T210 PolarHBondContact O-OG1 3.28Å; A157-T210 VanDerWaalsContact O-OG1 3.07Å; F158-T210 PolarHBondContact N-OG1 2.85Å; K159-T210 HydrophobicContact CD-CG2 3.97Å; K159-T210 HydrophobicContact CG-CG2 3.97Å; E181-T210 WeakPolarHBondContact OE1-CB 3.31Å; E181-T210 PolarHBondContact OE1-OG1 2.96Å; Y208-T210 PolarHBondContact O-N 3.14Å |
| 211 | S | 93.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 27.3 Ų | 27.3 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.8 | 177 | -170.1 | 0 | 0 | 0 | 0 | 110.9 | K156 A157 | K156-S211 WeakPolarHBondContact CA-O 3.48Å; K156-S211 WeakPolarHBondContact CB-O 3.18Å; K156-S211 PolarHBondContact N-O 3.09Å; A157-S211 PolarHBondContact N-O 3.26Å; A157-S211 PolarHBondContact O-N 3.07Å |
| 212 | C | 92.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 24.6 Ų | 24.6 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 160.2 | -169 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | K156 C216 | K156-C212 VanDerWaalsContact CE-O 3.3Å; K156-C212 WeakPolarHBondContact CE-O 3.17Å; K156-C212 PolarHBondContact NZ-O 3.01Å; C212-C216 HydrophobicContact CB-CB 3.99Å; C212-C216 WeakPolarHBondContact CB-SG 3.4Å; C212-C216 WeakPolarHBondContact SG-CA 3.34Å; C212-C216 WeakPolarHBondContact SG-CB 3.02Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 3.29Å |
| 213 | H | 90.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 25.4 Ų | 25.4 | 30% | 0.301 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 113.8 | 170.6 | -173.3 | -81.3 | 0 | 0 | 0 | 109.4 | H152 E153 Y154 K156 A215 | H152-H213 PolarHBondContact O-ND1 2.77Å; E153-H213 WeakPolarHBondContact CA-O 3.42Å; Y154-H213 HydrophobicContact CD1-CB 3.71Å; Y154-H213 HydrophobicContact CD2-CB 3.88Å; Y154-H213 HydrophobicContact CE1-CB 3.39Å; Y154-H213 AromaticContact CE1-CG 3.34Å; Y154-H213 AromaticContact CE1-ND1 3.56Å; Y154-H213 HydrophobicContact CE2-CB 3.6Å; Y154-H213 HydrophobicContact CG-CB 3.94Å; Y154-H213 AromaticContact CZ-CD2 3.83Å; Y154-H213 AromaticContact CZ-CG 3.47Å; Y154-H213 VanDerWaalsContact CZ-CG 3.47Å; Y154-H213 PolarHBondContact N-O 3.28Å; Y154-H213 PolarHBondContact O-N 2.8Å; Y154-H213 PolarHBondContact OH-CD2 2.93Å; K156-H213 HydrophobicContact CG-CB 4.32Å; H213-A215 PolarHBondContact O-N 2.83Å |
| 214 | T | 88.8 | Confident | 94.2 | Very high | 90 Ų | 90 | 23.5 Ų | 23.5 | 55% | 0.552 | 13% | 0.13 | S | C | * | . | S | Bend | trans | 63.1 | -50.1 | -176.1 | -55.7 | 0 | 0 | 0 | 0 | 114.9 | E153 | E153-T214 HydrophobicContact CG-CG2 3.95Š|
| 215 | A | 89.6 | Confident | 93.6 | Very high | 8 Ų | 8 | 22 Ų | 22 | 7% | 0.066 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -150.8 | 157.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | T118 E153 Y154 H213 T217 | T118-A215 HydrophobicContact CG2-CB 3.93Å; E153-A215 HydrophobicContact CB-CB 4.25Å; E153-A215 HydrophobicContact CG-CB 4.26Å; Y154-A215 PolarHBondContact N-O 2.95Å; H213-A215 PolarHBondContact O-N 2.83Å; A215-T217 PolarHBondContact O-N 3.24Å |
| 216 | C | 92.9 | Very high | 92.7 | Very high | 29 Ų | 29 | 23 Ų | 23 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | trans | -79.6 | 59.3 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | P119 P209 C212 | P119-C216 WeakPolarHBondContact CD-O 3.36Å; P119-C216 HydrophobicContact CG-CB 3.8Å; P209-C216 HydrophobicContact CB-CB 3.95Å; P209-C216 HydrophobicContact CG-CB 4.26Å; C212-C216 HydrophobicContact CB-CB 3.99Å; C212-C216 WeakPolarHBondContact CB-SG 3.4Å; C212-C216 WeakPolarHBondContact SG-CA 3.34Å; C212-C216 WeakPolarHBondContact SG-CB 3.02Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 3.29Å | ||
| 217 | T | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -87.5 | 130.6 | -175.1 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | W101 A116 W117 T118 A146 E153 L155 A215 | W101-T217 HydrophobicContact CE3-CG2 4.2Å; W101-T217 HydrophobicContact CZ3-CG2 4.09Å; A116-T217 HydrophobicContact CB-CG2 3.53Å; W117-T217 WeakPolarHBondContact O-CA 3.24Å; T118-T217 WeakPolarHBondContact OG1-CB 3.45Å; T118-T217 VanDerWaalsContact OG1-CG2 3.31Å; T118-T217 WeakPolarHBondContact OG1-CG2 3.49Å; T118-T217 PolarHBondContact OG1-OG1 3.24Å; A146-T217 HydrophobicContact CB-CG2 3.64Å; E153-T217 WeakPolarHBondContact CB-OG1 3.37Å; L155-T217 PolarHBondContact N-O 3.28Å; A215-T217 PolarHBondContact O-N 3.24Å | ||
| 218 | L | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -140 | 131.1 | -171.1 | -177.5 | 65.5 | 0 | 0 | 0 | 113 | W117 I128 T143 L155 L207 F220 | W117-L218 HydrophobicContact CE3-CB 4.22Å; W117-L218 HydrophobicContact CE3-CD2 4.49Å; W117-L218 PolarHBondContact N-O 3.13Å; W117-L218 PolarHBondContact O-N 3.42Å; I128-L218 HydrophobicContact CG2-CD2 4.11Å; T143-L218 HydrophobicContact CG2-CD1 3.97Å; L155-L218 HydrophobicContact CB-CD1 4.48Å; L155-L218 HydrophobicContact CD2-CD1 3.77Å; L155-L218 HydrophobicContact CD2-CD2 4.19Å; L155-L218 HydrophobicContact CD2-CG 4.43Å; L207-L218 HydrophobicContact CD2-CD2 3.79Å; L218-F220 HydrophobicContact CD1-CB 4.18Å; L218-F220 HydrophobicContact CD2-CB 4.39Å; L218-F220 HydrophobicContact CD2-CD1 3.74Å; L218-F220 HydrophobicContact CD2-CE1 4.29Å; L218-F220 HydrophobicContact CD2-CG 4.24Å; L218-F220 HydrophobicContact CG-CB 4.22Å; L218-F220 HydrophobicContact CG-CD1 3.95Å; L218-F220 HydrophobicContact CG-CG 4.46Å |
| 219 | R | 96.1 | Very high | 88.4 | Confident | 16 Ų | 16 | 28.9 Ų | 28.9 | 6% | 0.06 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.9 | 154.9 | -68.5 | 178.4 | -74.8 | 172.2 | 4 | 107.4 | R107 R110 N115 A116 T143 Q144 G145 K188 | R107-R219 WeakPolarHBondContact O-CB 3.48Å; R107-R219 WeakPolarHBondContact O-CG 3.07Å; R110-R219 PolarHBondContact O-NH1 3.38Å; N115-R219 PolarHBondContact ND2-NH1 2.76Å; N115-R219 WeakPolarHBondContact O-CD 3.09Å; N115-R219 VanDerWaalsContact O-CG 3.3Å; N115-R219 WeakPolarHBondContact O-CG 2.96Å; A116-R219 HydrophobicContact CB-CG 3.67Å; T143-R219 CarbonylContact C-O 3.6Å; Q144-R219 HydrophobicContact CB-CB 4.19Å; Q144-R219 VanDerWaalsContact CD-CZ 3.49Å; Q144-R219 VanDerWaalsContact CD-NH2 3.34Å; Q144-R219 PolarHBondContact N-O 3.08Å; Q144-R219 PolarHBondContact O-N 3.2Å; G145-R219 PolarHBondContact O-NE 2.97Å; G145-R219 PolarHBondContact O-NH2 2.94Å; K188-R219 PolarHBondContact O-NH2 3.18Å; K188-R219 VanDerWaalsContact O-NH2 3.11Å |
| 220 | F | 96.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 166.2 | -179.2 | 73.1 | -75.8 | 0 | 0 | 0 | 113.6 | M76 A106 L108 I128 V130 V141 V142 L207 L218 L222 | M76-F220 VanDerWaalsContact CB-O 3.22Å; M76-F220 WeakPolarHBondContact CB-O 3.32Å; M76-F220 HydrophobicContact CE-CD1 4.14Å; M76-F220 HydrophobicContact CE-CD2 4.49Å; M76-F220 HydrophobicContact CE-CE1 3.6Å; M76-F220 HydrophobicContact CE-CE2 4Å; M76-F220 HydrophobicContact CE-CZ 3.54Å; M76-F220 HydrophobicContact CG-CE2 4.46Å; M76-F220 HydrophobicContact SD-CE2 4.47Å; M76-F220 HydrophobicContact SD-CZ 4.41Å; A106-F220 HydrophobicContact CB-CD1 3.91Å; A106-F220 HydrophobicContact CB-CE1 3.74Å; A106-F220 WeakPolarHBondContact O-CD1 3.45Å; A106-F220 PolarHBondContact O-N 2.87Å; L108-F220 PolarHBondContact N-O 2.91Å; L108-F220 VanDerWaalsContact N-O 3.12Å; I128-F220 HydrophobicContact CD1-CE1 3.86Å; I128-F220 HydrophobicContact CG1-CE1 4.22Å; I128-F220 HydrophobicContact CG1-CZ 4.45Å; I128-F220 HydrophobicContact CG2-CE1 4.04Å; I128-F220 HydrophobicContact CG2-CZ 4.3Å; V130-F220 HydrophobicContact CG2-CE2 3.8Å; V130-F220 HydrophobicContact CG2-CZ 3.55Å; V141-F220 HydrophobicContact CG1-CB 4.43Å; V141-F220 HydrophobicContact CG1-CD2 4.37Å; V142-F220 CarbonylContact O-C 3.5Å; V142-F220 WeakPolarHBondContact O-CA 3.38Å; V142-F220 WeakPolarHBondContact O-CB 3.39Å; L207-F220 HydrophobicContact CD1-CE2 4.29Å; L207-F220 HydrophobicContact CD2-CD1 4.43Å; L207-F220 HydrophobicContact CD2-CD2 3.83Å; L207-F220 HydrophobicContact CD2-CE2 4.03Å; L207-F220 HydrophobicContact CD2-CG 4.03Å; L207-F220 HydrophobicContact CD2-CZ 4.42Å; L218-F220 HydrophobicContact CD1-CB 4.18Å; L218-F220 HydrophobicContact CD2-CB 4.39Å; L218-F220 HydrophobicContact CD2-CD1 3.74Å; L218-F220 HydrophobicContact CD2-CE1 4.29Å; L218-F220 HydrophobicContact CD2-CG 4.24Å; L218-F220 HydrophobicContact CG-CB 4.22Å; L218-F220 HydrophobicContact CG-CD1 3.95Å; L218-F220 HydrophobicContact CG-CG 4.46Å; F220-L222 HydrophobicContact CD2-CD2 4.04Å; F220-L222 HydrophobicContact CD2-CG 4.23Å; F220-L222 HydrophobicContact CE2-CD1 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.9Å; F220-L222 HydrophobicContact CE2-CG 3.94Å |
| 221 | E | 96.4 | Very high | 86.7 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.7 | 166.5 | 179.4 | 60.7 | -85.4 | 0 | 0 | 108.2 | P73 G75 M76 E77 L108 V142 L223 | P73-E221 HydrophobicContact CB-CG 3.69Å; G75-E221 PolarHBondContact N-OE1 3.15Å; M76-E221 HydrophobicContact CB-CB 4.47Å; M76-E221 WeakPolarHBondContact CB-OE1 3.3Å; M76-E221 WeakPolarHBondContact CG-OE1 3.41Å; M76-E221 VanDerWaalsContact N-CD 3.26Å; M76-E221 PolarHBondContact N-OE1 3.02Å; M76-E221 PolarHBondContact N-OE2 3.43Å; E77-E221 PolarHBondContact N-OE2 3.04Å; L108-E221 HydrophobicContact CB-CB 4.06Å; L108-E221 HydrophobicContact CD2-CB 3.99Å; V142-E221 HydrophobicContact CB-CB 4.24Å; V142-E221 PolarHBondContact N-O 3.05Å; V142-E221 PolarHBondContact O-N 3.4Å; E221-L223 HydrophobicContact CG-CD2 4.5Å |
| 222 | L | 96.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.8 | 173.5 | -64.7 | 177.2 | 0 | 0 | 0 | 108.5 | L74 V130 L132 V141 V205 L207 F220 | L74-L222 HydrophobicContact CB-CB 4.22Å; L74-L222 HydrophobicContact CD1-CB 3.91Å; L74-L222 HydrophobicContact CG-CB 4.24Å; L74-L222 WeakPolarHBondContact CG-O 3.32Å; L74-L222 PolarHBondContact N-O 3.02Å; V130-L222 HydrophobicContact CB-CD1 3.92Å; V130-L222 HydrophobicContact CG1-CD1 4.06Å; V130-L222 HydrophobicContact CG2-CD1 4.03Å; L132-L222 HydrophobicContact CD2-CD1 4.15Å; V141-L222 HydrophobicContact CG2-CD2 3.94Å; V205-L222 HydrophobicContact CB-CD1 4.14Å; V205-L222 HydrophobicContact CG1-CD1 4.44Å; V205-L222 HydrophobicContact CG1-CD2 4.13Å; V205-L222 HydrophobicContact CG2-CD1 4.22Å; L207-L222 HydrophobicContact CD1-CD2 4.36Å; F220-L222 HydrophobicContact CD2-CD2 4.04Å; F220-L222 HydrophobicContact CD2-CG 4.23Å; F220-L222 HydrophobicContact CE2-CD1 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.9Å; F220-L222 HydrophobicContact CE2-CG 3.94Å |
| 223 | L | 92.9 | Very high | 86.1 | Confident | 18 Ų | 18 | 29.4 Ų | 29.4 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 143.4 | 174.8 | -55.6 | -175.8 | 0 | 0 | 0 | 109.9 | E72 T139 G140 V142 V193 L195 E221 | E72-L223 WeakPolarHBondContact O-CA 3.49Å; T139-L223 PolarHBondContact N-O 2.7Å; T139-L223 PolarHBondContact OG1-O 2.84Å; G140-L223 PolarHBondContact N-O 3.25Å; G140-L223 PolarHBondContact O-N 3.42Å; V142-L223 HydrophobicContact CG2-CD1 3.68Å; V142-L223 HydrophobicContact CG2-CD2 3.75Å; V142-L223 HydrophobicContact CG2-CG 3.71Å; V193-L223 HydrophobicContact CG1-CD1 4.05Å; L195-L223 HydrophobicContact CD2-CD1 3.95Å; E221-L223 HydrophobicContact CG-CD2 4.5Å |
| 224 | G | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -155.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C70 E72 W137 T139 | C70-G224 CarbonylContact C-O 3.52Å; E72-G224 PolarHBondContact N-O 3.15Å; E72-G224 PolarHBondContact O-N 3.06Å; W137-G224 CarbonylContact O-C 3.51Å; W137-G224 WeakPolarHBondContact O-CA 2.97Å; T139-G224 WeakPolarHBondContact OG1-CA 3.48Å |
| 225 | C | 83.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 170.9 | 171.2 | 61 | 0 | 0 | 0 | 0 | 110.3 | A62 C70 W137 | A62-C225 WeakPolarHBondContact CB-SG 3.04Å; C70-C225 HydrophobicContact CB-CB 3.85Å; C70-C225 WeakPolarHBondContact CB-SG 3.43Å; C70-C225 WeakPolarHBondContact SG-CB 3.07Å; C70-C225 PolarHBondContact SG-N 3.23Å; C70-C225 CovalentContact SG-SG 2.04Å; C70-C225 PolarHBondContact SG-SG 2.96Å; W137-C225 PolarHBondContact N-O 3.27Å; W137-C225 PolarHBondContact O-N 3.2Å; W137-C225 VanDerWaalsContact O-O 3.08Å |
| 226 | E | 78.1 | Confident | 86.7 | Confident | 23 Ų | 23 | 23.1 Ų | 23.1 | 11% | 0.107 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 141.1 | 170.1 | -128 | 115.6 | -155.5 | 0 | 0 | 109.4 | R134 M136 F231 K355 | R134-E226 VanDerWaalsContact CD-OE1 3.29Å; R134-E226 WeakPolarHBondContact CD-OE1 3.08Å; R134-E226 IonicContact CZ-OE1 3Å; R134-E226 IonicContact NE-OE1 3.55Å; R134-E226 PolarHBondContact NE-OE1 3.45Å; M136-E226 HydrophobicContact CE-CB 4.21Å; M136-E226 HydrophobicContact CE-CG 4.06Å; M136-E226 HydrophobicContact SD-CB 4.35Å; M136-E226 HydrophobicContact SD-CG 3.74Å; E226-F231 HydrophobicContact CB-CD2 4.44Å; E226-F231 VanDerWaalsContact CD-CG 3.46Å; E226-F231 HydrophobicContact CG-CB 4.03Å; E226-F231 HydrophobicContact CG-CD1 4.32Å; E226-F231 HydrophobicContact CG-CD2 3.51Å; E226-F231 HydrophobicContact CG-CE2 4.01Å; E226-F231 HydrophobicContact CG-CG 3.69Å; E226-K355 IonicContact OE1-NZ 3.77Å; E226-K355 IonicContact OE2-NZ 3.8Å; E226-K355 PolarHBondContact OE2-NZ 3.42Å |
| 227 | L | 76.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 26.7 Ų | 26.7 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | trans | -63.3 | 140.3 | 166.5 | -171.3 | 77.2 | 0 | 0 | 0 | 107.7 | R135 W137 E201 G229 | R135-L227 HydrophobicContact CB-CD2 4.29Å; W137-L227 HydrophobicContact CD2-CD1 4.05Å; W137-L227 VanDerWaalsContact CE2-CD1 3.47Å; W137-L227 HydrophobicContact CG-CD1 4.33Å; W137-L227 HydrophobicContact CZ2-CD1 3.77Å; E201-L227 HydrophobicContact CG-CD1 4.25Å; E201-L227 HydrophobicContact CG-CD2 4.28Å; L227-G229 WeakPolarHBondContact O-CA 3.47Å; L227-G229 PolarHBondContact O-N 2.85Å | ||
| 228 | D | 62.5 | Low | 86.5 | Confident | 104 Ų | 104 | 31 Ų | 31 | 56% | 0.556 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -45.2 | 111.6 | -174.5 | -97.9 | -23.5 | 0 | 0 | 0 | 111.2 | G63 | G63-D228 VanDerWaalsContact CA-OD1 3.3Å; G63-D228 WeakPolarHBondContact CA-OD1 3.45Å; G63-D228 PolarHBondContact N-OD1 3.3Å |
| 229 | G | 61.4 | Low | 86.4 | Confident | 36 Ų | 36 | 35 Ų | 35 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -172.7 | 169.2 | -157.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L227 F231 | L227-G229 WeakPolarHBondContact O-CA 3.47Å; L227-G229 PolarHBondContact O-N 2.85Å; G229-F231 PolarHBondContact O-N 3.21Å |
| 230 | C | 74.8 | Confident | 86.3 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 10% | 0.095 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -75.2 | 52.9 | -164.6 | -162.3 | 0 | 0 | 0 | 0 | 113.7 | E298 T300 G386 C387 | C230-E298 WeakPolarHBondContact SG-CB 3.49Å; C230-E298 VanDerWaalsContact SG-CG 3.58Å; C230-E298 PolarHBondContact SG-O 2.87Å; C230-T300 HydrophobicContact CB-CG2 3.83Å; C230-T300 WeakPolarHBondContact O-CB 3.15Å; C230-T300 WeakPolarHBondContact O-CG2 3.1Å; C230-T300 PolarHBondContact O-OG1 2.91Å; C230-G386 CarbonylContact C-O 3.5Å; C230-G386 CarbonylContact O-C 3.56Å; C230-G386 WeakPolarHBondContact O-CA 3.46Å; C230-G386 PolarHBondContact O-N 2.77Å; C230-G386 VanDerWaalsContact SG-C 3.54Å; C230-C387 HydrophobicContact CB-CB 3.97Å; C230-C387 WeakPolarHBondContact CB-SG 3.11Å; C230-C387 VanDerWaalsContact SG-CA 3.57Å; C230-C387 WeakPolarHBondContact SG-CB 3.41Å; C230-C387 PolarHBondContact SG-N 2.97Å; C230-C387 CovalentContact SG-SG 2.04Å; C230-C387 PolarHBondContact SG-SG 2.82Å |
| 231 | F | 77.8 | Confident | 86.2 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 18% | 0.184 | 22% | 0.219 | C | C | . | . | trans | -128 | 11 | -169.5 | -59.4 | -87.5 | 0 | 0 | 0 | 113.6 | E226 G229 T300 L357 | E226-F231 HydrophobicContact CB-CD2 4.44Å; E226-F231 VanDerWaalsContact CD-CG 3.46Å; E226-F231 HydrophobicContact CG-CB 4.03Å; E226-F231 HydrophobicContact CG-CD1 4.32Å; E226-F231 HydrophobicContact CG-CD2 3.51Å; E226-F231 HydrophobicContact CG-CE2 4.01Å; E226-F231 HydrophobicContact CG-CG 3.69Å; G229-F231 PolarHBondContact O-N 3.21Å; F231-T300 HydrophobicContact CD1-CG2 4.25Å; F231-T300 WeakPolarHBondContact CD1-OG1 3.38Å; F231-T300 VanDerWaalsContact CE1-CB 3.4Å; F231-T300 HydrophobicContact CE1-CG2 3.94Å; F231-T300 WeakPolarHBondContact CE1-OG1 3.28Å; F231-T300 HydrophobicContact CZ-CG2 4.15Å; F231-L357 HydrophobicContact CD1-CD2 3.76Å; F231-L357 HydrophobicContact CE1-CD2 4.02Å | ||
| 232 | N | 84.4 | Confident | 86.2 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 151.1 | 179.2 | -69.5 | -26.1 | 0 | 0 | 0 | 110.8 | L234 L385 G386 | N232-L234 PolarHBondContact O-N 2.67Å; N232-L385 WeakPolarHBondContact O-CA 3.21Å; N232-G386 PolarHBondContact N-O 2.93Å; N232-G386 PolarHBondContact O-N 2.88Å |
| 233 | P | 90.5 | Very high | 86.2 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 118.8 | 176 | 26.4 | -34.3 | 0 | 0 | 0 | 110.6 | G235 E383 | P233-G235 PolarHBondContact O-N 2.94Å; P233-E383 HydrophobicContact CB-CG 3.65Å |
| 234 | L | 92.8 | Very high | 86.4 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | trans | -69.1 | -15.7 | -176.9 | -70.7 | -178.8 | 0 | 0 | 0 | 113.6 | N232 I241 L293 K297 V299 L384 G386 | N232-L234 PolarHBondContact O-N 2.67Å; L234-I241 HydrophobicContact CB-CD1 4.37Å; L234-I241 WeakPolarHBondContact O-CD1 3.3Å; L234-L293 HydrophobicContact CB-CD2 4.34Å; L234-L293 HydrophobicContact CD1-CD1 3.99Å; L234-L293 HydrophobicContact CD1-CD2 3.91Å; L234-K297 HydrophobicContact CD2-CD 4.46Å; L234-V299 HydrophobicContact CD1-CG1 4.34Å; L234-V299 HydrophobicContact CD1-CG2 4.07Å; L234-L384 HydrophobicContact CB-CB 4.27Å; L234-L384 HydrophobicContact CD1-CB 3.92Å; L234-L384 HydrophobicContact CG-CB 4.42Å; L234-L384 PolarHBondContact N-O 3.28Å; L234-G386 VanDerWaalsContact CD2-C 3.49Å | ||
| 235 | G | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 126.4 | 27.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116 | P233 N238 N239 S240 I241 E383 | P233-G235 PolarHBondContact O-N 2.94Å; G235-N238 VanDerWaalsContact C-OD1 3.24Å; G235-N238 WeakPolarHBondContact CA-OD1 3.31Å; G235-N238 PolarHBondContact O-OD1 3.3Å; G235-N238 VanDerWaalsContact O-OD1 3.05Å; G235-N239 PolarHBondContact O-N 3.44Å; G235-S240 PolarHBondContact O-N 2.04Å; G235-I241 PolarHBondContact O-N 3.42Å; G235-E383 PolarHBondContact N-OE1 2.69Å |
| 236 | L | 94.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -44.6 | 172.6 | -67.9 | 169 | 0 | 0 | 0 | 110.9 | I241 I246 R268 V291 L382 E383 L384 | L236-I241 HydrophobicContact CD2-CB 4.3Å; L236-I241 HydrophobicContact CD2-CD1 4.16Å; L236-I241 HydrophobicContact CD2-CG2 4.06Å; L236-I241 HydrophobicContact CG-CD1 4.09Å; L236-I246 HydrophobicContact CD2-CD1 3.54Å; L236-I246 HydrophobicContact CD2-CG1 3.98Å; L236-R268 HydrophobicContact CB-CG 4.49Å; L236-R268 WeakPolarHBondContact O-CB 3.35Å; L236-R268 WeakPolarHBondContact O-CD 3.45Å; L236-R268 WeakPolarHBondContact O-CG 3.47Å; L236-R268 PolarHBondContact O-NH1 2.91Å; L236-V291 HydrophobicContact CD1-CG2 4.18Å; L236-V291 HydrophobicContact CD2-CG1 4.04Å; L236-V291 HydrophobicContact CD2-CG2 4.27Å; L236-L382 HydrophobicContact CD1-CD1 3.4Å; L236-L382 HydrophobicContact CD1-CG 3.79Å; L236-E383 WeakPolarHBondContact CB-OE1 3.36Å; L236-E383 PolarHBondContact N-OE1 2.6Å; L236-E383 PolarHBondContact N-OE2 3.2Å; L236-L384 HydrophobicContact CD1-CG 4.18Å |
| 237 | K | 93.7 | Very high | 88.4 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -43.5 | -177.6 | -179 | 165.8 | 172.4 | 172.6 | 0 | 113.2 | N239 L269 D270 E383 | K237-N239 VanDerWaalsContact C-N 3.31Å; K237-L269 HydrophobicContact CB-CB 4.33Å; K237-L269 HydrophobicContact CD-CB 4.3Å; K237-L269 HydrophobicContact CD-CD2 4.3Å; K237-L269 HydrophobicContact CD-CG 4.46Å; K237-L269 WeakPolarHBondContact CG-O 3.27Å; K237-D270 WeakPolarHBondContact CE-OD2 3.43Å; K237-D270 IonicContact NZ-OD2 2.81Å; K237-D270 PolarHBondContact NZ-OD2 3.19Å; K237-E383 WeakPolarHBondContact CB-OE2 3.39Å; K237-E383 PolarHBondContact N-OE2 2.61Å |
| 238 | N | 89.7 | Confident | 89.4 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.1 | -179.2 | 67.4 | 4.7 | 0 | 0 | 0 | 113.7 | G235 S240 | G235-N238 VanDerWaalsContact C-OD1 3.24Å; G235-N238 WeakPolarHBondContact CA-OD1 3.31Å; G235-N238 PolarHBondContact O-OD1 3.3Å; G235-N238 VanDerWaalsContact O-OD1 3.05Å; N238-S240 VanDerWaalsContact C-N 3.35Å; N238-S240 PolarHBondContact ND2-OG 2.61Å; N238-S240 WeakPolarHBondContact OD1-CB 3.21Å; N238-S240 PolarHBondContact OD1-N 3.06Å; N238-S240 PolarHBondContact OD1-OG 2.93Å |
| 239 | N | 92.5 | Very high | 91 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 70.9 | 17 | -176.3 | -39.1 | -93.3 | 0 | 0 | 0 | 115.4 | G235 K237 I241 R268 | G235-N239 PolarHBondContact O-N 3.44Å; K237-N239 VanDerWaalsContact C-N 3.31Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 3.27Å; N239-R268 WeakPolarHBondContact OD1-CD 3.24Å; N239-R268 PolarHBondContact OD1-NE 3.01Å |
| 240 | S | 92.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | trans | -61.7 | -34.3 | 170 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | G235 N238 P242 | G235-S240 PolarHBondContact O-N 2.04Å; N238-S240 VanDerWaalsContact C-N 3.35Å; N238-S240 PolarHBondContact ND2-OG 2.61Å; N238-S240 WeakPolarHBondContact OD1-CB 3.21Å; N238-S240 PolarHBondContact OD1-N 3.06Å; N238-S240 PolarHBondContact OD1-OG 2.93Å; S240-P242 VanDerWaalsContact O-CD 3.29Å; S240-P242 WeakPolarHBondContact O-CD 3.44Å | ||
| 241 | I | 95.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -80.8 | 112.3 | 166.1 | -66.6 | 171.2 | 0 | 0 | 0 | 107.8 | L234 G235 L236 N239 Q245 I246 R268 V291 L293 | L234-I241 HydrophobicContact CB-CD1 4.37Å; L234-I241 WeakPolarHBondContact O-CD1 3.3Å; G235-I241 PolarHBondContact O-N 3.42Å; L236-I241 HydrophobicContact CD2-CB 4.3Å; L236-I241 HydrophobicContact CD2-CD1 4.16Å; L236-I241 HydrophobicContact CD2-CG2 4.06Å; L236-I241 HydrophobicContact CG-CD1 4.09Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 3.27Å; I241-Q245 HydrophobicContact CG2-CB 3.83Å; I241-I246 HydrophobicContact CG2-CG1 4.14Å; I241-R268 VanDerWaalsContact O-CZ 3.29Å; I241-R268 PolarHBondContact O-NH1 3.48Å; I241-R268 PolarHBondContact O-NH2 2.92Å; I241-V291 HydrophobicContact CD1-CG1 4.06Å; I241-V291 HydrophobicContact CG2-CG1 4.19Å; I241-L293 HydrophobicContact CD1-CD2 3.91Å |
| 242 | P | 96.5 | Very high | 94.2 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | trans | -75 | 156 | -176.6 | -17.3 | 34.6 | 0 | 0 | 0 | 112.6 | S240 K244 Q245 | S240-P242 VanDerWaalsContact O-CD 3.29Å; S240-P242 WeakPolarHBondContact O-CD 3.44Å; P242-K244 HydrophobicContact CB-CG 4.42Å; P242-K244 PolarHBondContact O-N 2.93Å; P242-Q245 WeakPolarHBondContact O-CB 3.46Å; P242-Q245 PolarHBondContact O-N 3.04Å | ||
| 243 | D | 96.5 | Very high | 94.5 | Very high | 81 Ų | 81 | 54.9 Ų | 54.9 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -50 | -36.1 | -174.7 | -76.6 | 12.7 | 0 | 0 | 0 | 114.6 | Q245 I246 S265 R268 | D243-Q245 PolarHBondContact O-N 3.31Å; D243-I246 PolarHBondContact O-N 2.97Å; D243-I246 VanDerWaalsContact O-N 3.1Å; D243-S265 WeakPolarHBondContact OD2-CB 3.37Å; D243-R268 IonicContact OD1-CZ 3.96Å; D243-R268 IonicContact OD1-NE 2.94Å; D243-R268 IonicContact OD1-NH2 3.14Å; D243-R268 PolarHBondContact OD1-NH2 3.37Å |
| 244 | K | 96.7 | Very high | 94.1 | Very high | 181 Ų | 181 | 51.8 Ų | 51.8 | 79% | 0.787 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -62 | -20 | 178.4 | 68.4 | 178.6 | -178.3 | 177.5 | 0 | 114.6 | P242 | P242-K244 HydrophobicContact CB-CG 4.42Å; P242-K244 PolarHBondContact O-N 2.93Å |
| 245 | Q | 97.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -87.9 | -6.3 | 178.5 | -73.5 | -171.5 | -53.9 | 0 | 0 | 113 | I241 P242 D243 D292 | I241-Q245 HydrophobicContact CG2-CB 3.83Å; P242-Q245 WeakPolarHBondContact O-CB 3.46Å; P242-Q245 PolarHBondContact O-N 3.04Å; D243-Q245 PolarHBondContact O-N 3.31Å; Q245-D292 HydrophobicContact CB-CB 4.04Å; Q245-D292 WeakPolarHBondContact CB-O 3.4Å; Q245-D292 HydrophobicContact CG-CB 4.13Å; Q245-D292 PolarHBondContact NE2-O 2.93Å; Q245-D292 PolarHBondContact O-N 2.86Å; Q245-D292 PolarHBondContact OE1-O 2.84Å |
| 246 | I | 97.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112 | -178.6 | -42.8 | 172.5 | 0 | 0 | 0 | 108.3 | L236 I241 D243 P264 R268 L289 Q290 | L236-I246 HydrophobicContact CD2-CD1 3.54Å; L236-I246 HydrophobicContact CD2-CG1 3.98Å; I241-I246 HydrophobicContact CG2-CG1 4.14Å; D243-I246 PolarHBondContact O-N 2.97Å; D243-I246 VanDerWaalsContact O-N 3.1Å; I246-P264 HydrophobicContact CG2-CB 4.19Å; I246-P264 WeakPolarHBondContact CG2-O 3.22Å; I246-P264 WeakPolarHBondContact O-CG 3.42Å; I246-R268 HydrophobicContact CD1-CG 4.41Å; I246-L289 HydrophobicContact CG2-CD1 4.04Å; I246-Q290 WeakPolarHBondContact CA-O 3.35Å |
| 247 | T | 97.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 159.5 | -173.7 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | Q290 | T247-Q290 PolarHBondContact N-O 2.78Å; T247-Q290 PolarHBondContact O-N 2.68Å |
| 248 | A | 97.4 | Very high | 91.8 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 162.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S250 P264 W278 W288 L289 | A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 3.14Å; A248-P264 HydrophobicContact CB-CB 3.91Å; A248-P264 HydrophobicContact CB-CG 4.38Å; A248-W278 HydrophobicContact CB-CZ2 3.91Å; A248-W278 VanDerWaalsContact CB-NE1 3.29Å; A248-W288 VanDerWaalsContact C-CZ3 3.49Å; A248-W288 CarbonylContact C-O 3.56Å; A248-W288 VanDerWaalsContact CA-CZ3 3.49Å; A248-W288 VanDerWaalsContact CA-O 3.28Å; A248-W288 WeakPolarHBondContact CA-O 3.01Å; A248-W288 WeakPolarHBondContact CB-O 3.39Å; A248-L289 HydrophobicContact CB-CD1 4.01Å |
| 249 | S | 96.5 | Very high | 91.3 | Very high | 42 Ų | 42 | 70.5 Ų | 70.5 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -54.2 | -42.2 | 170.6 | 53 | 0 | 0 | 0 | 0 | 113 | Q287 W288 | S249-Q287 WeakPolarHBondContact OG-CA 3.35Å; S249-Q287 PolarHBondContact OG-OE1 3.36Å; S249-W288 PolarHBondContact N-O 3.41Å; S249-W288 PolarHBondContact OG-N 2.87Å; S249-W288 PolarHBondContact OG-O 2.82Å |
| 250 | S | 95.4 | Very high | 90.9 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | trans | -158.9 | 170.9 | 178.7 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | A248 W278 G281 Q287 | A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 3.14Å; S250-W278 PolarHBondContact O-NE1 2.94Å; S250-G281 WeakPolarHBondContact OG-CA 3.12Å; S250-G281 PolarHBondContact OG-N 2.85Å; S250-Q287 PolarHBondContact OG-OE1 2.85Å | ||
| 251 | S | 94.1 | Very high | 90.7 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | trans | -139.7 | 143.3 | 170.2 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | V279 | S251-V279 CarbonylContact C-O 3.52Å; S251-V279 WeakPolarHBondContact CA-O 3.33Å | ||
| 252 | Y | 92.3 | Very high | 90.6 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | trans | -82.5 | 141 | 177.8 | 178.8 | -112.7 | 0 | 0 | 0 | 111.7 | W262 V279 | Y252-W262 AromaticContact CD1-CD1 3.62Å; Y252-W262 HydrophobicContact CD1-CG 4.46Å; Y252-W262 AromaticContact CD1-NE1 3.99Å; Y252-W262 PolarHBondContact O-N 3.12Å; Y252-V279 HydrophobicContact CD1-CG1 4.37Å; Y252-V279 HydrophobicContact CG-CG1 4.34Å; Y252-V279 PolarHBondContact N-O 3.33Å | ||
| 253 | K | 89.8 | Confident | 90.5 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -117 | 121.8 | 174.5 | -57.7 | -177.6 | -173.3 | 166 | 0 | 110 | W255 G256 H258 | K253-W255 PolarHBondContact O-N 2.8Å; K253-G256 PolarHBondContact O-N 2.87Å; K253-H258 PolarHBondContact NZ-CE1 2.96Å; K253-H258 PolarHBondContact NZ-NE2 2.93Å |
| 254 | T | 84 | Confident | 90.5 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -70 | 126.2 | 177.7 | -41.3 | 0 | 0 | 0 | 0 | 109.4 | G256 L257 F260 W262 F275 F310 | T254-G256 PolarHBondContact O-N 3.01Å; T254-L257 PolarHBondContact O-N 3.3Å; T254-F260 PolarHBondContact N-O 3.02Å; T254-F260 PolarHBondContact OG1-O 2.83Å; T254-W262 PolarHBondContact OG1-NE1 2.97Å; T254-F275 WeakPolarHBondContact OG1-CE1 3.38Å; T254-F310 HydrophobicContact CG2-CE2 4.17Å |
| 255 | W | 83 | Confident | 90.4 | Very high | 184 Ų | 184 | 54.7 Ų | 54.7 | 70% | 0.697 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | 53 | 23.1 | -172.3 | -49.6 | -50.4 | 0 | 0 | 0 | 114.6 | K253 L257 F260 F310 | K253-W255 PolarHBondContact O-N 2.8Å; W255-L257 HydrophobicContact CB-CD1 4.48Å; W255-L257 HydrophobicContact CB-CG 4.5Å; W255-L257 PolarHBondContact O-N 2.88Å; W255-F260 AromaticContact CE3-CD2 3.83Å; W255-F260 HydrophobicContact CE3-CD2 3.83Å; W255-F260 AromaticContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CZ3-CD2 4.14Å; W255-F260 AromaticContact CZ3-CE2 3.91Å; W255-F260 HydrophobicContact CZ3-CE2 3.91Å; W255-F310 HydrophobicContact CH2-CE2 4.32Å; W255-F310 AromaticContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CZ2-CE2 4.39Å; W255-F310 HydrophobicContact CZ2-CZ 4.42Å |
| 256 | G | 81.1 | Confident | 90.4 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 54% | 0.536 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | 72.4 | -2.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K253 T254 | K253-G256 PolarHBondContact O-N 2.87Å; T254-G256 PolarHBondContact O-N 3.01Å |
| 257 | L | 83.1 | Confident | 90.3 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | trans | -80.8 | 128.6 | -174.3 | -65.3 | 174.4 | 0 | 0 | 0 | 111.5 | T254 W255 L259 F260 | T254-L257 PolarHBondContact O-N 3.3Å; W255-L257 HydrophobicContact CB-CD1 4.48Å; W255-L257 HydrophobicContact CB-CG 4.5Å; W255-L257 PolarHBondContact O-N 2.88Å; L257-L259 PolarHBondContact O-N 3.4Å; L257-F260 HydrophobicContact CB-CD2 3.84Å; L257-F260 HydrophobicContact CB-CE2 4.46Å; L257-F260 HydrophobicContact CB-CG 4.45Å; L257-F260 HydrophobicContact CD1-CD2 3.71Å; L257-F260 HydrophobicContact CD1-CE2 3.61Å; L257-F260 HydrophobicContact CG-CD2 4.39Å; L257-F260 PolarHBondContact O-N 2.93Å | ||
| 258 | H | 77.8 | Confident | 90.3 | Very high | 141 Ų | 141 | 54 Ų | 54 | 65% | 0.653 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -60.2 | -32.8 | 179.2 | -82.4 | -115.7 | 0 | 0 | 0 | 113.1 | K253 F260 S261 | K253-H258 PolarHBondContact NZ-CE1 2.96Å; K253-H258 PolarHBondContact NZ-NE2 2.93Å; H258-F260 PolarHBondContact O-N 2.87Å; H258-S261 WeakPolarHBondContact CA-OG 3.35Å; H258-S261 WeakPolarHBondContact O-CB 3.32Å; H258-S261 PolarHBondContact O-N 2.64Å; H258-S261 PolarHBondContact O-OG 2.61Å |
| 259 | L | 78.5 | Confident | 90.3 | Very high | 156 Ų | 156 | 53.2 Ų | 53.2 | 82% | 0.817 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -64.3 | -17.6 | 176.1 | -65.5 | 171.5 | 0 | 0 | 0 | 113.5 | L257 | L257-L259 PolarHBondContact O-N 3.4Š|
| 260 | F | 85.3 | Confident | 90.2 | Very high | 64 Ų | 64 | 53 Ų | 53 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -119.3 | 38.4 | -176.2 | -54.5 | -35.7 | 0 | 0 | 0 | 111.7 | T254 W255 L257 H258 F275 | T254-F260 PolarHBondContact N-O 3.02Å; T254-F260 PolarHBondContact OG1-O 2.83Å; W255-F260 AromaticContact CE3-CD2 3.83Å; W255-F260 HydrophobicContact CE3-CD2 3.83Å; W255-F260 AromaticContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CZ3-CD2 4.14Å; W255-F260 AromaticContact CZ3-CE2 3.91Å; W255-F260 HydrophobicContact CZ3-CE2 3.91Å; L257-F260 HydrophobicContact CB-CD2 3.84Å; L257-F260 HydrophobicContact CB-CE2 4.46Å; L257-F260 HydrophobicContact CB-CG 4.45Å; L257-F260 HydrophobicContact CD1-CD2 3.71Å; L257-F260 HydrophobicContact CD1-CE2 3.61Å; L257-F260 HydrophobicContact CG-CD2 4.39Å; L257-F260 PolarHBondContact O-N 2.93Å; H258-F260 PolarHBondContact O-N 2.87Å; F260-F275 HydrophobicContact CB-CE1 3.73Å; F260-F275 HydrophobicContact CB-CE2 4.07Å; F260-F275 HydrophobicContact CB-CZ 3.46Å; F260-F275 VanDerWaalsContact CB-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CD2 4.42Å; F260-F275 AromaticContact CD1-CE2 3.39Å; F260-F275 HydrophobicContact CD1-CE2 3.39Å; F260-F275 AromaticContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CZ 3.46Å; F260-F275 VanDerWaalsContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CE1-CE2 4.19Å; F260-F275 HydrophobicContact CE1-CZ 4.41Å; F260-F275 HydrophobicContact CG-CE1 4.43Å; F260-F275 HydrophobicContact CG-CE2 4.06Å; F260-F275 AromaticContact CG-CZ 3.66Å; F260-F275 HydrophobicContact CG-CZ 3.66Å |
| 261 | S | 88.5 | Confident | 90.1 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -87.3 | 134.1 | -178.7 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | H258 N263 Y266 | H258-S261 WeakPolarHBondContact CA-OG 3.35Å; H258-S261 WeakPolarHBondContact O-CB 3.32Å; H258-S261 PolarHBondContact O-N 2.64Å; H258-S261 PolarHBondContact O-OG 2.61Å; S261-N263 VanDerWaalsContact C-N 3.3Å; S261-N263 PolarHBondContact O-N 3.29Å; S261-N263 VanDerWaalsContact O-N 3.15Å; S261-Y266 WeakPolarHBondContact O-CE2 3.16Å |
| 262 | W | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -89.5 | 67 | 174.9 | -64.3 | 79 | 0 | 0 | 0 | 110 | Y252 T254 N274 F275 A277 V279 A307 N309 | Y252-W262 AromaticContact CD1-CD1 3.62Å; Y252-W262 HydrophobicContact CD1-CG 4.46Å; Y252-W262 AromaticContact CD1-NE1 3.99Å; Y252-W262 PolarHBondContact O-N 3.12Å; T254-W262 PolarHBondContact OG1-NE1 2.97Å; W262-N274 WeakPolarHBondContact CH2-O 3.35Å; W262-F275 HydrophobicContact CD2-CD1 4.2Å; W262-F275 AromaticContact CE2-CD1 3.57Å; W262-F275 AromaticContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CE1 4.17Å; W262-F275 AromaticContact NE1-CD1 3.55Å; W262-F275 AromaticContact NE1-CE1 3.84Å; W262-A277 HydrophobicContact CE3-CB 4.06Å; W262-A277 HydrophobicContact CZ3-CB 4.08Å; W262-V279 HydrophobicContact CB-CB 3.57Å; W262-V279 HydrophobicContact CB-CG2 3.77Å; W262-V279 HydrophobicContact CD2-CB 4.25Å; W262-V279 HydrophobicContact CD2-CG2 3.53Å; W262-V279 HydrophobicContact CE3-CG2 3.45Å; W262-V279 VanDerWaalsContact CE3-CG2 3.45Å; W262-V279 HydrophobicContact CG-CB 3.85Å; W262-V279 HydrophobicContact CG-CG2 3.69Å; W262-V279 HydrophobicContact CZ3-CG2 4.28Å; W262-V279 PolarHBondContact O-N 2.93Å; W262-A307 HydrophobicContact CZ3-CB 4.35Å; W262-N309 HydrophobicContact CH2-CB 3.97Å; W262-N309 HydrophobicContact CZ2-CB 3.7Å | ||
| 263 | N | 94.6 | Very high | 89.7 | Confident | 52 Ų | 52 | 59 Ų | 59 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | trans | -65.6 | 152.8 | -172.3 | -73.4 | -44.5 | 0 | 0 | 0 | 113.3 | S261 S265 Y266 | S261-N263 VanDerWaalsContact C-N 3.3Å; S261-N263 PolarHBondContact O-N 3.29Å; S261-N263 VanDerWaalsContact O-N 3.15Å; N263-S265 PolarHBondContact O-N 2.89Å; N263-Y266 HydrophobicContact CB-CD2 4.13Å; N263-Y266 HydrophobicContact CB-CE2 4.19Å; N263-Y266 PolarHBondContact O-N 2.76Å | ||
| 264 | P | 96.4 | Very high | 89.5 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -55.2 | -35.7 | 176.6 | 22 | -33.5 | 0 | 0 | 0 | 113.1 | I246 A248 Y266 A267 L289 | I246-P264 HydrophobicContact CG2-CB 4.19Å; I246-P264 WeakPolarHBondContact CG2-O 3.22Å; I246-P264 WeakPolarHBondContact O-CG 3.42Å; A248-P264 HydrophobicContact CB-CB 3.91Å; A248-P264 HydrophobicContact CB-CG 4.38Å; P264-Y266 PolarHBondContact O-N 2.86Å; P264-A267 WeakPolarHBondContact O-CB 3.48Å; P264-A267 PolarHBondContact O-N 2.75Å; P264-L289 HydrophobicContact CB-CD1 3.71Å |
| 265 | S | 95.8 | Very high | 89.7 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -61.8 | -15.1 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 115.6 | D243 N263 R268 | D243-S265 WeakPolarHBondContact OD2-CB 3.37Å; N263-S265 PolarHBondContact O-N 2.89Å; S265-R268 PolarHBondContact O-NE 2.98Å; S265-R268 VanDerWaalsContact O-NE 3.13Å |
| 266 | Y | 95.6 | Very high | 90.1 | Very high | 76 Ų | 76 | 55.8 Ų | 55.8 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -88.2 | -2.2 | 174 | -58.6 | -33.6 | 0 | 0 | 0 | 113.7 | S261 N263 P264 R268 F275 N276 A277 | S261-Y266 WeakPolarHBondContact O-CE2 3.16Å; N263-Y266 HydrophobicContact CB-CD2 4.13Å; N263-Y266 HydrophobicContact CB-CE2 4.19Å; N263-Y266 PolarHBondContact O-N 2.76Å; P264-Y266 PolarHBondContact O-N 2.86Å; Y266-R268 PolarHBondContact O-N 2.78Å; Y266-F275 HydrophobicContact CD2-CB 4.39Å; Y266-F275 HydrophobicContact CE2-CB 4.28Å; Y266-N276 CarbonylContact O-C 3.57Å; Y266-A277 WeakPolarHBondContact O-CA 3.35Å |
| 267 | A | 97.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | trans | -72.1 | 33 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | P264 W278 L289 L380 L382 | P264-A267 WeakPolarHBondContact O-CB 3.48Å; P264-A267 PolarHBondContact O-N 2.75Å; A267-W278 HydrophobicContact CB-CB 3.7Å; A267-L289 HydrophobicContact CB-CD1 4.19Å; A267-L289 HydrophobicContact CB-CD2 3.42Å; A267-L289 VanDerWaalsContact CB-CD2 3.42Å; A267-L289 HydrophobicContact CB-CG 4.43Å; A267-L380 WeakPolarHBondContact CA-O 3.06Å; A267-L382 HydrophobicContact CB-CD2 4.4Å; A267-L382 PolarHBondContact O-N 2.86Å | ||
| 268 | R | 97.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 134.4 | -175 | -58.8 | 174.1 | 179.2 | -82.3 | 6.2 | 110 | L236 N239 I241 D243 I246 S265 Y266 D270 K271 R381 | L236-R268 HydrophobicContact CB-CG 4.49Å; L236-R268 WeakPolarHBondContact O-CB 3.35Å; L236-R268 WeakPolarHBondContact O-CD 3.45Å; L236-R268 WeakPolarHBondContact O-CG 3.47Å; L236-R268 PolarHBondContact O-NH1 2.91Å; N239-R268 WeakPolarHBondContact OD1-CD 3.24Å; N239-R268 PolarHBondContact OD1-NE 3.01Å; I241-R268 VanDerWaalsContact O-CZ 3.29Å; I241-R268 PolarHBondContact O-NH1 3.48Å; I241-R268 PolarHBondContact O-NH2 2.92Å; D243-R268 IonicContact OD1-CZ 3.96Å; D243-R268 IonicContact OD1-NE 2.94Å; D243-R268 IonicContact OD1-NH2 3.14Å; D243-R268 PolarHBondContact OD1-NH2 3.37Å; I246-R268 HydrophobicContact CD1-CG 4.41Å; S265-R268 PolarHBondContact O-NE 2.98Å; S265-R268 VanDerWaalsContact O-NE 3.13Å; Y266-R268 PolarHBondContact O-N 2.78Å; R268-D270 PolarHBondContact O-N 2.94Å; R268-K271 HydrophobicContact CB-CB 4.28Å; R268-K271 WeakPolarHBondContact O-CB 3.32Å; R268-K271 PolarHBondContact O-N 2.93Å; R268-K271 VanDerWaalsContact O-N 3.14Å; R268-R381 WeakPolarHBondContact O-CB 3.49Å; R268-R381 WeakPolarHBondContact O-CD 3.35Å; R268-R381 VanDerWaalsContact O-CG 3.31Å; R268-R381 WeakPolarHBondContact O-CG 3.27Å |
| 269 | L | 96.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 136.6 | 178.4 | -170 | 68.7 | 0 | 0 | 0 | 111.3 | K237 K271 I303 Q305 L382 E383 | K237-L269 HydrophobicContact CB-CB 4.33Å; K237-L269 HydrophobicContact CD-CB 4.3Å; K237-L269 HydrophobicContact CD-CD2 4.3Å; K237-L269 HydrophobicContact CD-CG 4.46Å; K237-L269 WeakPolarHBondContact CG-O 3.27Å; L269-K271 PolarHBondContact O-N 3.11Å; L269-I303 HydrophobicContact CD1-CB 4.5Å; L269-I303 HydrophobicContact CD1-CG2 3.79Å; L269-I303 HydrophobicContact CD2-CB 4.09Å; L269-I303 HydrophobicContact CD2-CD1 4.2Å; L269-I303 HydrophobicContact CD2-CG2 3.78Å; L269-I303 HydrophobicContact CG-CG2 4.47Å; L269-Q305 HydrophobicContact CD1-CB 3.69Å; L269-L382 PolarHBondContact N-O 3.35Å; L269-E383 HydrophobicContact CB-CB 3.87Å; L269-E383 HydrophobicContact CD2-CB 3.81Å; L269-E383 HydrophobicContact CG-CB 4.44Å |
| 270 | D | 94.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 20% | 0.198 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 14.4 | -177.9 | -60.8 | -43.6 | 0 | 0 | 0 | 116.5 | K237 R268 Q272 Q305 H353 | K237-D270 WeakPolarHBondContact CE-OD2 3.43Å; K237-D270 IonicContact NZ-OD2 2.81Å; K237-D270 PolarHBondContact NZ-OD2 3.19Å; R268-D270 PolarHBondContact O-N 2.94Å; D270-Q272 WeakPolarHBondContact O-CG 3.28Å; D270-Q272 PolarHBondContact O-N 3.11Å; D270-Q272 PolarHBondContact O-NE2 2.75Å; D270-Q305 PolarHBondContact OD1-NE2 3.48Å; D270-Q305 PolarHBondContact OD1-OE1 2.92Å; D270-H353 VanDerWaalsContact CG-NE2 3.33Å; D270-H353 IonicContact OD1-CD2 3.78Å; D270-H353 IonicContact OD1-CE1 2.87Å; D270-H353 IonicContact OD1-NE2 2.77Å; D270-H353 PolarHBondContact OD1-NE2 2.85Å; D270-H353 IonicContact OD2-CE1 3.33Å; D270-H353 PolarHBondContact OD2-CE1 3.24Å; D270-H353 IonicContact OD2-NE2 3.49Å; D270-H353 PolarHBondContact OD2-NE2 3.24Å |
| 271 | K | 93.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 30% | 0.296 | 19% | 0.19 | S | C | . | . | trans | -54.4 | 135.3 | 171.9 | -168.1 | 71.3 | 170.7 | -174.7 | 0 | 110.1 | R268 L269 N276 R381 | R268-K271 HydrophobicContact CB-CB 4.28Å; R268-K271 WeakPolarHBondContact O-CB 3.32Å; R268-K271 PolarHBondContact O-N 2.93Å; R268-K271 VanDerWaalsContact O-N 3.14Å; L269-K271 PolarHBondContact O-N 3.11Å; K271-N276 HydrophobicContact CB-CB 4.46Å; K271-N276 WeakPolarHBondContact CB-O 3.39Å; K271-N276 HydrophobicContact CG-CB 4.31Å; K271-N276 WeakPolarHBondContact O-CB 3.29Å; K271-N276 PolarHBondContact O-ND2 2.94Å; K271-R381 PolarHBondContact O-NH1 2.96Å | ||
| 272 | Q | 91.2 | Very high | 93.7 | Very high | 137 Ų | 137 | 35.4 Ų | 35.4 | 64% | 0.64 | 20% | 0.202 | S | C | * | . | trans | -111.3 | 163.2 | -179 | -57.8 | -57.6 | -37.5 | 0 | 0 | 111.1 | D270 | D270-Q272 WeakPolarHBondContact O-CG 3.28Å; D270-Q272 PolarHBondContact O-N 3.11Å; D270-Q272 PolarHBondContact O-NE2 2.75Å | ||
| 273 | G | 87.7 | Confident | 93.5 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 54% | 0.536 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 116.2 | 178 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | F275 N276 | G273-F275 VanDerWaalsContact C-N 3.33Å; G273-F275 PolarHBondContact O-N 3.25Å; G273-N276 WeakPolarHBondContact O-CB 3.25Å |
| 274 | N | 84.3 | Confident | 93.4 | Very high | 139 Ų | 139 | 40.4 Ų | 40.4 | 74% | 0.743 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -71.1 | -29 | -177.5 | -63.7 | -18 | 0 | 0 | 0 | 113.1 | W262 | W262-N274 WeakPolarHBondContact CH2-O 3.35Š|
| 275 | F | 87.9 | Confident | 93 | Very high | 40 Ų | 40 | 45 Ų | 45 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -125.2 | 91.4 | 176 | -54.5 | -75 | 0 | 0 | 0 | 106.9 | T254 F260 W262 Y266 G273 | T254-F275 WeakPolarHBondContact OG1-CE1 3.38Å; F260-F275 HydrophobicContact CB-CE1 3.73Å; F260-F275 HydrophobicContact CB-CE2 4.07Å; F260-F275 HydrophobicContact CB-CZ 3.46Å; F260-F275 VanDerWaalsContact CB-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CD2 4.42Å; F260-F275 AromaticContact CD1-CE2 3.39Å; F260-F275 HydrophobicContact CD1-CE2 3.39Å; F260-F275 AromaticContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CZ 3.46Å; F260-F275 VanDerWaalsContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CE1-CE2 4.19Å; F260-F275 HydrophobicContact CE1-CZ 4.41Å; F260-F275 HydrophobicContact CG-CE1 4.43Å; F260-F275 HydrophobicContact CG-CE2 4.06Å; F260-F275 AromaticContact CG-CZ 3.66Å; F260-F275 HydrophobicContact CG-CZ 3.66Å; W262-F275 HydrophobicContact CD2-CD1 4.2Å; W262-F275 AromaticContact CE2-CD1 3.57Å; W262-F275 AromaticContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CE1 4.17Å; W262-F275 AromaticContact NE1-CD1 3.55Å; W262-F275 AromaticContact NE1-CE1 3.84Å; Y266-F275 HydrophobicContact CD2-CB 4.39Å; Y266-F275 HydrophobicContact CE2-CB 4.28Å; G273-F275 VanDerWaalsContact C-N 3.33Å; G273-F275 PolarHBondContact O-N 3.25Å |
| 276 | N | 92.7 | Very high | 92.9 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | trans | -124.9 | 15.3 | -164.6 | 73.8 | -33.6 | 0 | 0 | 0 | 113.8 | Y266 K271 G273 R381 | Y266-N276 CarbonylContact O-C 3.57Å; K271-N276 HydrophobicContact CB-CB 4.46Å; K271-N276 WeakPolarHBondContact CB-O 3.39Å; K271-N276 HydrophobicContact CG-CB 4.31Å; K271-N276 WeakPolarHBondContact O-CB 3.29Å; K271-N276 PolarHBondContact O-ND2 2.94Å; G273-N276 WeakPolarHBondContact O-CB 3.25Å; N276-R381 PolarHBondContact ND2-NH1 3.23Å; N276-R381 WeakPolarHBondContact O-CD 3.28Å; N276-R381 WeakPolarHBondContact O-CG 3.43Å | ||
| 277 | A | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -147.2 | 166.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110 | W262 Y266 A307 R381 | W262-A277 HydrophobicContact CE3-CB 4.06Å; W262-A277 HydrophobicContact CZ3-CB 4.08Å; Y266-A277 WeakPolarHBondContact O-CA 3.35Å; A277-A307 HydrophobicContact CB-CB 3.53Å; A277-R381 HydrophobicContact CB-CG 3.88Å |
| 278 | W | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 140.2 | 156.8 | 169.5 | 66.9 | 0 | 0 | 0 | 109.5 | A248 S250 A267 A280 L289 P371 I378 A379 L380 | A248-W278 HydrophobicContact CB-CZ2 3.91Å; A248-W278 VanDerWaalsContact CB-NE1 3.29Å; S250-W278 PolarHBondContact O-NE1 2.94Å; A267-W278 HydrophobicContact CB-CB 3.7Å; W278-A280 HydrophobicContact CH2-CB 4.03Å; W278-A280 HydrophobicContact CZ2-CB 3.73Å; W278-L289 HydrophobicContact CB-CD1 4.25Å; W278-L289 HydrophobicContact CB-CD2 4.48Å; W278-L289 HydrophobicContact CD2-CB 4.15Å; W278-L289 HydrophobicContact CD2-CD1 3.96Å; W278-L289 HydrophobicContact CD2-CD2 4.32Å; W278-L289 HydrophobicContact CD2-CG 4.38Å; W278-L289 HydrophobicContact CE3-CB 3.78Å; W278-L289 HydrophobicContact CE3-CD1 4.3Å; W278-L289 HydrophobicContact CE3-CD2 3.9Å; W278-L289 HydrophobicContact CE3-CG 4.22Å; W278-L289 HydrophobicContact CG-CD1 3.94Å; W278-L289 HydrophobicContact CH2-CB 4.01Å; W278-L289 HydrophobicContact CZ2-CB 4.38Å; W278-L289 HydrophobicContact CZ3-CB 3.71Å; W278-P371 HydrophobicContact CZ3-CG 4.42Å; W278-I378 HydrophobicContact CH2-CG2 3.87Å; W278-I378 HydrophobicContact CZ3-CG2 3.73Å; W278-A379 WeakPolarHBondContact O-CA 3.33Å; W278-L380 HydrophobicContact CE3-CB 4.07Å; W278-L380 PolarHBondContact N-O 2.88Å; W278-L380 VanDerWaalsContact N-O 3.1Å; W278-L380 PolarHBondContact O-N 2.95Å |
| 279 | V | 96 | Very high | 93 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.3 | 169.4 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | S251 Y252 W262 R377 I378 A379 | S251-V279 CarbonylContact C-O 3.52Å; S251-V279 WeakPolarHBondContact CA-O 3.33Å; Y252-V279 HydrophobicContact CD1-CG1 4.37Å; Y252-V279 HydrophobicContact CG-CG1 4.34Å; Y252-V279 PolarHBondContact N-O 3.33Å; W262-V279 HydrophobicContact CB-CB 3.57Å; W262-V279 HydrophobicContact CB-CG2 3.77Å; W262-V279 HydrophobicContact CD2-CB 4.25Å; W262-V279 HydrophobicContact CD2-CG2 3.53Å; W262-V279 HydrophobicContact CE3-CG2 3.45Å; W262-V279 VanDerWaalsContact CE3-CG2 3.45Å; W262-V279 HydrophobicContact CG-CB 3.85Å; W262-V279 HydrophobicContact CG-CG2 3.69Å; W262-V279 HydrophobicContact CZ3-CG2 4.28Å; W262-V279 PolarHBondContact O-N 2.93Å; V279-R377 HydrophobicContact CG1-CB 3.98Å; V279-I378 VanDerWaalsContact CA-O 3.23Å; V279-I378 WeakPolarHBondContact CA-O 3.39Å; V279-I378 WeakPolarHBondContact CG1-O 3.12Å; V279-A379 HydrophobicContact CG2-CB 3.78Å |
| 280 | A | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | trans | -65.4 | 143.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | W278 S282 Q287 I378 | W278-A280 HydrophobicContact CH2-CB 4.03Å; W278-A280 HydrophobicContact CZ2-CB 3.73Å; A280-S282 VanDerWaalsContact C-N 3.32Å; A280-Q287 HydrophobicContact CB-CB 4.16Å; A280-Q287 HydrophobicContact CB-CG 3.96Å; A280-I378 HydrophobicContact CB-CB 3.87Å; A280-I378 HydrophobicContact CB-CD1 4.18Å; A280-I378 HydrophobicContact CB-CG2 3.94Å; A280-I378 PolarHBondContact N-O 3.39Å | ||
| 281 | G | 92.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -68.5 | -29.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S250 | S250-G281 WeakPolarHBondContact OG-CA 3.12Å; S250-G281 PolarHBondContact OG-N 2.85Å |
| 282 | S | 90.9 | Very high | 93.4 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -121.2 | 165 | 178.6 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | A280 S284 Q287 | A280-S282 VanDerWaalsContact C-N 3.32Å; S282-S284 PolarHBondContact OG-OG 3.21Å; S282-Q287 PolarHBondContact OG-NE2 2.78Å; S282-Q287 VanDerWaalsContact OG-NE2 3.12Å |
| 283 | Y | 90.1 | Very high | 93.7 | Very high | 120 Ų | 120 | 40 Ų | 40 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | trans | -106 | 57.7 | -177.6 | -58.7 | -67.9 | 0 | 0 | 0 | 111.5 | W374 N376 R377 | Y283-W374 AromaticContact CD1-NE1 4Å; Y283-W374 WeakPolarHBondContact O-CZ2 3.21Å; Y283-N376 VanDerWaalsContact CE1-O 3.29Å; Y283-N376 WeakPolarHBondContact CE1-O 3.13Å; Y283-R377 HydrophobicContact CE1-CB 4.05Å; Y283-R377 HydrophobicContact CE1-CG 3.79Å; Y283-R377 PolarHBondContact OH-NE 2.85Å; Y283-R377 PolarHBondContact OH-NH1 3.35Å; Y283-R377 PolarHBondContact OH-NH2 2.99Å | ||
| 284 | S | 90.9 | Very high | 94 | Very high | 37 Ų | 37 | 39 Ų | 39 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -133.2 | 151.3 | -168.5 | 47 | 0 | 0 | 0 | 0 | 111.9 | S282 D286 Q287 | S282-S284 PolarHBondContact OG-OG 3.21Å; S284-D286 WeakPolarHBondContact CB-OD1 3.44Å; S284-D286 PolarHBondContact O-N 2.91Å; S284-D286 PolarHBondContact OG-OD1 2.75Å; S284-Q287 VanDerWaalsContact O-CG 3.28Å; S284-Q287 WeakPolarHBondContact O-CG 3.4Å; S284-Q287 PolarHBondContact O-N 3.27Å |
| 285 | N | 88.6 | Confident | 94.4 | Very high | 119 Ų | 119 | 35.1 Ų | 35.1 | 64% | 0.636 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 1.9 | -174.7 | -62.1 | -8.7 | 0 | 0 | 0 | 113.4 | W374 | N285-W374 VanDerWaalsContact OD1-CH2 3.23Å; N285-W374 WeakPolarHBondContact OD1-CH2 3.45Å; N285-W374 WeakPolarHBondContact OD1-CZ3 3.36Å |
| 286 | D | 92.9 | Very high | 94.7 | Very high | 105 Ų | 105 | 38 Ų | 38 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5.3 | 173.2 | 68.5 | -23.4 | 0 | 0 | 0 | 112.7 | S284 | S284-D286 WeakPolarHBondContact CB-OD1 3.44Å; S284-D286 PolarHBondContact O-N 2.91Å; S284-D286 PolarHBondContact OG-OD1 2.75Å |
| 287 | Q | 97.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | trans | -73 | 144.1 | -179.1 | -61.8 | -52.4 | -69.3 | 0 | 0 | 111.4 | S249 S250 A280 S282 S284 P371 I378 | S249-Q287 WeakPolarHBondContact OG-CA 3.35Å; S249-Q287 PolarHBondContact OG-OE1 3.36Å; S250-Q287 PolarHBondContact OG-OE1 2.85Å; A280-Q287 HydrophobicContact CB-CB 4.16Å; A280-Q287 HydrophobicContact CB-CG 3.96Å; S282-Q287 PolarHBondContact OG-NE2 2.78Å; S282-Q287 VanDerWaalsContact OG-NE2 3.12Å; S284-Q287 VanDerWaalsContact O-CG 3.28Å; S284-Q287 WeakPolarHBondContact O-CG 3.4Å; S284-Q287 PolarHBondContact O-N 3.27Å; Q287-P371 WeakPolarHBondContact O-CD 3.28Å; Q287-I378 HydrophobicContact CB-CD1 4.07Å; Q287-I378 HydrophobicContact CG-CD1 4.15Å | ||
| 288 | W | 97.4 | Very high | 94.7 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | trans | -148.3 | 150.1 | 179.5 | 55.4 | -98.8 | 0 | 0 | 0 | 111.4 | A248 S249 Q290 R368 V369 L370 | A248-W288 VanDerWaalsContact C-CZ3 3.49Å; A248-W288 CarbonylContact C-O 3.56Å; A248-W288 VanDerWaalsContact CA-CZ3 3.49Å; A248-W288 VanDerWaalsContact CA-O 3.28Å; A248-W288 WeakPolarHBondContact CA-O 3.01Å; A248-W288 WeakPolarHBondContact CB-O 3.39Å; S249-W288 PolarHBondContact N-O 3.41Å; S249-W288 PolarHBondContact OG-N 2.87Å; S249-W288 PolarHBondContact OG-O 2.82Å; W288-Q290 HydrophobicContact CE3-CB 3.66Å; W288-Q290 HydrophobicContact CZ3-CB 3.52Å; W288-R368 HydrophobicContact CB-CG 4.43Å; W288-R368 HydrophobicContact CE3-CG 4.28Å; W288-V369 WeakPolarHBondContact CA-O 3.37Å; W288-L370 HydrophobicContact CB-CD2 3.54Å | ||
| 289 | L | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.5 | 167.5 | 177.1 | 72.1 | 0 | 0 | 0 | 107.7 | I246 A248 P264 A267 W278 R368 V369 L380 L382 | I246-L289 HydrophobicContact CG2-CD1 4.04Å; A248-L289 HydrophobicContact CB-CD1 4.01Å; P264-L289 HydrophobicContact CB-CD1 3.71Å; A267-L289 HydrophobicContact CB-CD1 4.19Å; A267-L289 HydrophobicContact CB-CD2 3.42Å; A267-L289 VanDerWaalsContact CB-CD2 3.42Å; A267-L289 HydrophobicContact CB-CG 4.43Å; W278-L289 HydrophobicContact CB-CD1 4.25Å; W278-L289 HydrophobicContact CB-CD2 4.48Å; W278-L289 HydrophobicContact CD2-CB 4.15Å; W278-L289 HydrophobicContact CD2-CD1 3.96Å; W278-L289 HydrophobicContact CD2-CD2 4.32Å; W278-L289 HydrophobicContact CD2-CG 4.38Å; W278-L289 HydrophobicContact CE3-CB 3.78Å; W278-L289 HydrophobicContact CE3-CD1 4.3Å; W278-L289 HydrophobicContact CE3-CD2 3.9Å; W278-L289 HydrophobicContact CE3-CG 4.22Å; W278-L289 HydrophobicContact CG-CD1 3.94Å; W278-L289 HydrophobicContact CH2-CB 4.01Å; W278-L289 HydrophobicContact CZ2-CB 4.38Å; W278-L289 HydrophobicContact CZ3-CB 3.71Å; L289-R368 CarbonylContact O-C 3.57Å; L289-R368 VanDerWaalsContact O-CA 3.27Å; L289-R368 WeakPolarHBondContact O-CA 3.43Å; L289-V369 PolarHBondContact N-O 3.28Å; L289-V369 VanDerWaalsContact N-O 3.15Å; L289-V369 PolarHBondContact O-N 2.82Å; L289-L380 HydrophobicContact CD2-CD2 4.14Å; L289-L382 HydrophobicContact CD2-CD2 3.32Å; L289-L382 HydrophobicContact CG-CD2 4.46Å |
| 290 | Q | 97.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.3 | -173.4 | 176.9 | 177.2 | -42.9 | 0 | 0 | 110.9 | I246 T247 W288 W330 V367 R368 | I246-Q290 WeakPolarHBondContact CA-O 3.35Å; T247-Q290 PolarHBondContact N-O 2.78Å; T247-Q290 PolarHBondContact O-N 2.68Å; W288-Q290 HydrophobicContact CE3-CB 3.66Å; W288-Q290 HydrophobicContact CZ3-CB 3.52Å; Q290-W330 HydrophobicContact CG-CH2 4.04Å; Q290-V367 CarbonylContact C-O 3.53Å; Q290-V367 VanDerWaalsContact CA-O 3.3Å; Q290-V367 WeakPolarHBondContact CA-O 3.17Å; Q290-R368 HydrophobicContact CB-CG 3.75Å; Q290-R368 HydrophobicContact CG-CG 4.11Å; Q290-R368 VanDerWaalsContact OE1-CZ 3.27Å |
| 291 | V | 98.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.2 | 173.3 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | L236 I241 L293 Y366 V367 L384 | L236-V291 HydrophobicContact CD1-CG2 4.18Å; L236-V291 HydrophobicContact CD2-CG1 4.04Å; L236-V291 HydrophobicContact CD2-CG2 4.27Å; I241-V291 HydrophobicContact CD1-CG1 4.06Å; I241-V291 HydrophobicContact CG2-CG1 4.19Å; V291-L293 HydrophobicContact CG1-CD2 4.03Å; V291-Y366 WeakPolarHBondContact O-CA 3.1Å; V291-V367 PolarHBondContact N-O 2.79Å; V291-V367 PolarHBondContact O-N 2.83Å; V291-L384 HydrophobicContact CB-CD1 4Å; V291-L384 HydrophobicContact CG1-CD1 4.12Å; V291-L384 HydrophobicContact CG2-CD1 4.19Å |
| 292 | D | 97.9 | Very high | 94.4 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.5 | 165.2 | 177.3 | 16.9 | 0 | 0 | 0 | 109.2 | Q245 G294 R365 Y366 | Q245-D292 HydrophobicContact CB-CB 4.04Å; Q245-D292 WeakPolarHBondContact CB-O 3.4Å; Q245-D292 HydrophobicContact CG-CB 4.13Å; Q245-D292 PolarHBondContact NE2-O 2.93Å; Q245-D292 PolarHBondContact O-N 2.86Å; Q245-D292 PolarHBondContact OE1-O 2.84Å; D292-G294 PolarHBondContact O-N 3.01Å; D292-G294 WeakPolarHBondContact OD1-CA 3.14Å; D292-G294 PolarHBondContact OD1-N 3.28Å; D292-R365 WeakPolarHBondContact OD1-CG 3.06Å; D292-R365 IonicContact OD1-CZ 3.83Å; D292-R365 IonicContact OD1-NE 3.67Å; D292-R365 PolarHBondContact OD1-NE 3.06Å; D292-R365 IonicContact OD1-NH2 2.67Å; D292-R365 PolarHBondContact OD1-NH2 3.41Å; D292-R365 IonicContact OD2-CZ 3.33Å; D292-R365 IonicContact OD2-NE 3.88Å; D292-R365 IonicContact OD2-NH2 2.76Å; D292-R365 PolarHBondContact OD2-NH2 2.79Å; D292-Y366 HydrophobicContact CB-CD1 3.69Å; D292-Y366 HydrophobicContact CB-CE1 3.57Å; D292-Y366 WeakPolarHBondContact OD1-CE1 3.47Å |
| 293 | L | 96.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -2.9 | 178.4 | -57.3 | 174.1 | 0 | 0 | 0 | 112.5 | L234 I241 V291 S295 K297 V299 R365 V367 L384 | L234-L293 HydrophobicContact CB-CD2 4.34Å; L234-L293 HydrophobicContact CD1-CD1 3.99Å; L234-L293 HydrophobicContact CD1-CD2 3.91Å; I241-L293 HydrophobicContact CD1-CD2 3.91Å; V291-L293 HydrophobicContact CG1-CD2 4.03Å; L293-S295 PolarHBondContact O-N 3.29Å; L293-K297 HydrophobicContact CB-CB 4.4Å; L293-K297 HydrophobicContact CB-CG 3.96Å; L293-K297 HydrophobicContact CD1-CB 3.75Å; L293-K297 HydrophobicContact CD1-CG 4.19Å; L293-V299 HydrophobicContact CD1-CG2 3.57Å; L293-R365 VanDerWaalsContact CB-O 3.31Å; L293-R365 WeakPolarHBondContact CB-O 3.43Å; L293-R365 WeakPolarHBondContact CG-O 3.4Å; L293-R365 PolarHBondContact N-O 2.99Å; L293-V367 HydrophobicContact CD1-CG2 4.17Å; L293-L384 HydrophobicContact CD2-CD1 4.01Å |
| 294 | G | 94.1 | Very high | 95 | Very high | 33 Ų | 33 | 35.8 Ų | 35.8 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.5 | -42.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | D292 R365 | D292-G294 PolarHBondContact O-N 3.01Å; D292-G294 WeakPolarHBondContact OD1-CA 3.14Å; D292-G294 PolarHBondContact OD1-N 3.28Å; G294-R365 VanDerWaalsContact O-CZ 3.32Å; G294-R365 PolarHBondContact O-NE 3.15Å |
| 295 | S | 93.3 | Very high | 95.3 | Very high | 56 Ų | 56 | 34 Ų | 34 | 39% | 0.392 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 172 | 171 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | L293 K297 R365 | L293-S295 PolarHBondContact O-N 3.29Å; S295-K297 WeakPolarHBondContact OG-CE 3.45Å; S295-R365 WeakPolarHBondContact O-CA 3.21Å; S295-R365 WeakPolarHBondContact O-CG 3.36Å |
| 296 | L | 95.3 | Very high | 95.7 | Very high | 101 Ų | 101 | 28.4 Ų | 28.4 | 53% | 0.529 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 136.1 | 160 | -172.5 | 67.4 | 0 | 0 | 0 | 108.5 | N325 | L296-N325 VanDerWaalsContact CD1-OD1 3.26Å; L296-N325 WeakPolarHBondContact CD1-OD1 3.1Å |
| 297 | K | 93.7 | Very high | 95.7 | Very high | 67 Ų | 67 | 23.4 Ų | 23.4 | 29% | 0.291 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152.4 | -178.5 | -73.6 | -70.4 | 173 | 179.7 | 0 | 109.9 | L234 L293 S295 L363 A364 C387 | L234-K297 HydrophobicContact CD2-CD 4.46Å; L293-K297 HydrophobicContact CB-CB 4.4Å; L293-K297 HydrophobicContact CB-CG 3.96Å; L293-K297 HydrophobicContact CD1-CB 3.75Å; L293-K297 HydrophobicContact CD1-CG 4.19Å; S295-K297 WeakPolarHBondContact OG-CE 3.45Å; K297-L363 WeakPolarHBondContact O-CA 3.47Å; K297-A364 PolarHBondContact N-O 3.43Å; K297-A364 PolarHBondContact O-N 3.49Å; K297-A364 VanDerWaalsContact O-O 3.09Å; K297-C387 WeakPolarHBondContact CA-OXT 3.29Å; K297-C387 WeakPolarHBondContact CD-O 3.36Å; K297-C387 WeakPolarHBondContact CD-OXT 3.32Å; K297-C387 WeakPolarHBondContact CE-O 3.36Å; K297-C387 PolarHBondContact NZ-O 3.14Å |
| 298 | E | 93.8 | Very high | 95.4 | Very high | 68 Ų | 68 | 30 Ų | 30 | 32% | 0.318 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.4 | 169.5 | 179.2 | 178.8 | 171.1 | 0 | 0 | 108 | C230 T300 P361 L363 G386 C387 | C230-E298 WeakPolarHBondContact SG-CB 3.49Å; C230-E298 VanDerWaalsContact SG-CG 3.58Å; C230-E298 PolarHBondContact SG-O 2.87Å; E298-T300 HydrophobicContact CG-CG2 4.37Å; E298-P361 HydrophobicContact CG-CB 3.6Å; E298-P361 WeakPolarHBondContact OE1-CB 3.34Å; E298-P361 VanDerWaalsContact OE1-CG 3.22Å; E298-P361 WeakPolarHBondContact OE1-CG 3.33Å; E298-L363 HydrophobicContact CB-CD2 3.75Å; E298-L363 HydrophobicContact CG-CD2 4.27Å; E298-G386 CarbonylContact O-C 3.52Å; E298-G386 WeakPolarHBondContact O-CA 3.45Å; E298-C387 PolarHBondContact N-OXT 3.34Å; E298-C387 PolarHBondContact O-N 3.43Å |
| 299 | V | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.2 | -178.7 | -167 | 0 | 0 | 0 | 0 | 108 | L234 L293 F358 I362 V367 L384 L385 | L234-V299 HydrophobicContact CD1-CG1 4.34Å; L234-V299 HydrophobicContact CD1-CG2 4.07Å; L293-V299 HydrophobicContact CD1-CG2 3.57Å; V299-F358 HydrophobicContact CG1-CE2 4Å; V299-F358 WeakPolarHBondContact O-CD2 2.98Å; V299-I362 HydrophobicContact CB-CB 4.4Å; V299-I362 PolarHBondContact N-O 2.81Å; V299-I362 PolarHBondContact O-N 3.08Å; V299-V367 HydrophobicContact CG2-CG2 4Å; V299-L384 HydrophobicContact CG1-CB 4.43Å; V299-L384 HydrophobicContact CG1-CD2 4.45Å; V299-L385 CarbonylContact C-O 3.56Å; V299-L385 WeakPolarHBondContact CA-O 3.44Å; V299-L385 WeakPolarHBondContact CG1-O 3.09Å |
| 300 | T | 91.9 | Very high | 94 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -10.4 | -175.3 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | C230 F231 E298 F358 P361 L385 | C230-T300 HydrophobicContact CB-CG2 3.83Å; C230-T300 WeakPolarHBondContact O-CB 3.15Å; C230-T300 WeakPolarHBondContact O-CG2 3.1Å; C230-T300 PolarHBondContact O-OG1 2.91Å; F231-T300 HydrophobicContact CD1-CG2 4.25Å; F231-T300 WeakPolarHBondContact CD1-OG1 3.38Å; F231-T300 VanDerWaalsContact CE1-CB 3.4Å; F231-T300 HydrophobicContact CE1-CG2 3.94Å; F231-T300 WeakPolarHBondContact CE1-OG1 3.28Å; F231-T300 HydrophobicContact CZ-CG2 4.15Å; E298-T300 HydrophobicContact CG-CG2 4.37Å; T300-F358 PolarHBondContact O-N 2.79Å; T300-P361 HydrophobicContact CG2-CB 4.1Å; T300-P361 HydrophobicContact CG2-CG 4.16Å; T300-L385 PolarHBondContact N-O 2.78Å; T300-L385 PolarHBondContact OG1-O 2.89Å |
| 301 | G | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -164.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N356 L385 | G301-N356 WeakPolarHBondContact CA-O 3.4Å; G301-L385 PolarHBondContact N-O 2.98Å; G301-L385 PolarHBondContact O-N 3.12Å |
| 302 | I | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 134.8 | -170.2 | -179.7 | 173.7 | 0 | 0 | 0 | 110 | T304 Y319 N356 F358 V369 L382 E383 L384 | I302-T304 HydrophobicContact CD1-CG2 3.84Å; I302-T304 HydrophobicContact CG1-CG2 3.91Å; I302-Y319 HydrophobicContact CD1-CE2 4.37Å; I302-Y319 HydrophobicContact CG2-CE2 4.05Å; I302-Y319 VanDerWaalsContact CG2-OH 3.31Å; I302-Y319 WeakPolarHBondContact CG2-OH 3.41Å; I302-N356 HydrophobicContact CG2-CB 4.32Å; I302-N356 PolarHBondContact N-O 2.78Å; I302-N356 PolarHBondContact O-N 3.21Å; I302-N356 VanDerWaalsContact O-O 3.07Å; I302-F358 HydrophobicContact CG2-CE1 4.04Å; I302-F358 HydrophobicContact CG2-CZ 4.04Å; I302-V369 HydrophobicContact CD1-CG2 3.53Å; I302-L382 HydrophobicContact CD1-CB 4.34Å; I302-L382 HydrophobicContact CD1-CD1 3.94Å; I302-L382 HydrophobicContact CG1-CB 4.35Å; I302-L382 HydrophobicContact CG1-CD1 4.21Å; I302-E383 CarbonylContact C-O 3.6Å; I302-E383 WeakPolarHBondContact CA-O 3.39Å; I302-L384 HydrophobicContact CB-CD2 4.03Å; I302-L384 HydrophobicContact CD1-CD2 4.09Å; I302-L384 HydrophobicContact CG1-CD2 3.99Å |
| 303 | I | 95.8 | Very high | 92.4 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.8 | 166.7 | -55.3 | 174.8 | 0 | 0 | 0 | 107.4 | L269 H353 K354 K355 L382 E383 L385 | L269-I303 HydrophobicContact CD1-CB 4.5Å; L269-I303 HydrophobicContact CD1-CG2 3.79Å; L269-I303 HydrophobicContact CD2-CB 4.09Å; L269-I303 HydrophobicContact CD2-CD1 4.2Å; L269-I303 HydrophobicContact CD2-CG2 3.78Å; L269-I303 HydrophobicContact CG-CG2 4.47Å; I303-H353 HydrophobicContact CG2-CB 3.82Å; I303-K354 WeakPolarHBondContact CA-O 3.17Å; I303-K355 HydrophobicContact CG1-CB 4.22Å; I303-K355 HydrophobicContact CG1-CG 4Å; I303-L382 CarbonylContact O-C 3.58Å; I303-L382 WeakPolarHBondContact O-CA 3.41Å; I303-L382 VanDerWaalsContact O-CB 3.24Å; I303-L382 WeakPolarHBondContact O-CB 3.39Å; I303-E383 HydrophobicContact CB-CB 4.41Å; I303-E383 PolarHBondContact N-O 3.34Å; I303-E383 PolarHBondContact O-N 3.49Å; I303-L385 HydrophobicContact CD1-CD1 4.25Å; I303-L385 HydrophobicContact CD1-CD2 4.03Å; I303-L385 HydrophobicContact CG1-CD1 4Å; I303-L385 HydrophobicContact CG1-CD2 4.32Å; I303-L385 HydrophobicContact CG1-CG 4.33Å |
| 304 | T | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.7 | 178.8 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | I302 Y319 N347 K354 L380 L382 | I302-T304 HydrophobicContact CD1-CG2 3.84Å; I302-T304 HydrophobicContact CG1-CG2 3.91Å; T304-Y319 HydrophobicContact CG2-CE1 3.68Å; T304-Y319 WeakPolarHBondContact CG2-OH 3.45Å; T304-N347 VanDerWaalsContact C-OD1 3.29Å; T304-N347 WeakPolarHBondContact CB-OD1 3.46Å; T304-N347 PolarHBondContact O-ND2 2.03Å; T304-K354 PolarHBondContact N-O 3.15Å; T304-K354 PolarHBondContact O-N 3.42Å; T304-K354 PolarHBondContact OG1-O 2.98Å; T304-L380 HydrophobicContact CG2-CD1 3.92Å; T304-L382 HydrophobicContact CG2-CB 4.5Å |
| 305 | Q | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 137.4 | 179.2 | -172.8 | -174.5 | 46 | 0 | 0 | 109.7 | L269 D270 N347 H351 H353 R381 | L269-Q305 HydrophobicContact CD1-CB 3.69Å; D270-Q305 PolarHBondContact OD1-NE2 3.48Å; D270-Q305 PolarHBondContact OD1-OE1 2.92Å; Q305-N347 WeakPolarHBondContact CA-ND2 3.05Å; Q305-N347 WeakPolarHBondContact CA-OD1 3.21Å; Q305-N347 PolarHBondContact N-OD1 3.16Å; Q305-H351 WeakPolarHBondContact CG-O 3.01Å; Q305-H351 PolarHBondContact NE2-O 2.85Å; Q305-H353 PolarHBondContact NE2-CD2 3.26Å; Q305-H353 PolarHBondContact NE2-NE2 3.09Å; Q305-R381 HydrophobicContact CB-CB 4.13Å; Q305-R381 VanDerWaalsContact CD-CZ 3.4Å; Q305-R381 VanDerWaalsContact CD-NH2 3.35Å; Q305-R381 PolarHBondContact N-O 2.84Å; Q305-R381 PolarHBondContact O-N 3.02Å; Q305-R381 VanDerWaalsContact OE1-NE 3.16Å |
| 306 | G | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -74.1 | -166.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | N350 R381 | G306-N350 CarbonylContact C-O 3.5Å; G306-R381 VanDerWaalsContact O-CZ 3.25Å; G306-R381 PolarHBondContact O-NE 2.88Å; G306-R381 PolarHBondContact O-NH2 2.79Å | ||
| 307 | A | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 169.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W262 A277 Q314 N350 A379 | W262-A307 HydrophobicContact CZ3-CB 4.35Å; A277-A307 HydrophobicContact CB-CB 3.53Å; A307-Q314 PolarHBondContact N-O 2.96Å; A307-Q314 PolarHBondContact O-N 2.87Å; A307-N350 WeakPolarHBondContact O-CB 3Å; A307-A379 HydrophobicContact CB-CB 4.04Å |
| 308 | R | 90.7 | Very high | 92.8 | Very high | 148 Ų | 148 | 30.5 Ų | 30.5 | 56% | 0.558 | 16% | 0.164 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.8 | 177.6 | -168.9 | -179.5 | -174.8 | -155.4 | -0.3 | 109.6 | G311 S312 N350 | R308-G311 PolarHBondContact NE-O 2.04Å; R308-G311 PolarHBondContact NH2-O 3.27Å; R308-S312 WeakPolarHBondContact CA-O 3.3Å; R308-N350 HydrophobicContact CB-CB 4.3Å |
| 309 | N | 83.4 | Confident | 93 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.5 | -179.3 | -174.4 | 6.1 | 0 | 0 | 0 | 109.5 | W262 G311 S312 | W262-N309 HydrophobicContact CH2-CB 3.97Å; W262-N309 HydrophobicContact CZ2-CB 3.7Å; N309-G311 VanDerWaalsContact C-N 3.31Å; N309-G311 PolarHBondContact O-N 2.87Å; N309-S312 PolarHBondContact N-O 3.41Å; N309-S312 WeakPolarHBondContact O-CA 3.22Å; N309-S312 VanDerWaalsContact O-CB 3.3Å; N309-S312 WeakPolarHBondContact O-CB 3.49Å; N309-S312 PolarHBondContact O-N 3.02Å |
| 310 | F | 81.2 | Confident | 93.1 | Very high | 149 Ų | 149 | 29.6 Ų | 29.6 | 65% | 0.654 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 39.6 | 55.5 | -175.4 | -65.8 | -72.7 | 0 | 0 | 0 | 113.8 | T254 W255 S312 | T254-F310 HydrophobicContact CG2-CE2 4.17Å; W255-F310 HydrophobicContact CH2-CE2 4.32Å; W255-F310 AromaticContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CZ2-CE2 4.39Å; W255-F310 HydrophobicContact CZ2-CZ 4.42Å; F310-S312 PolarHBondContact O-N 3.04Å; F310-S312 VanDerWaalsContact O-N 3.16Å |
| 311 | G | 80.6 | Confident | 93.4 | Very high | 41 Ų | 41 | 29.5 Ų | 29.5 | 42% | 0.423 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -27.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R308 N309 | R308-G311 PolarHBondContact NE-O 2.04Å; R308-G311 PolarHBondContact NH2-O 3.27Å; N309-G311 VanDerWaalsContact C-N 3.31Å; N309-G311 PolarHBondContact O-N 2.87Å |
| 312 | S | 87.4 | Confident | 93.6 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 43% | 0.427 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 124 | -176.2 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | R308 N309 F310 | R308-S312 WeakPolarHBondContact CA-O 3.3Å; N309-S312 PolarHBondContact N-O 3.41Å; N309-S312 WeakPolarHBondContact O-CA 3.22Å; N309-S312 VanDerWaalsContact O-CB 3.3Å; N309-S312 WeakPolarHBondContact O-CB 3.49Å; N309-S312 PolarHBondContact O-N 3.02Å; F310-S312 PolarHBondContact O-N 3.04Å; F310-S312 VanDerWaalsContact O-N 3.16Å |
| 313 | V | 93.1 | Very high | 93.7 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.7 | 177.1 | 165.2 | 0 | 0 | 0 | 0 | 110.8 | F315 N350 H375 N376 | V313-F315 HydrophobicContact CG1-CD1 3.6Å; V313-F315 HydrophobicContact CG1-CE1 3.69Å; V313-N350 HydrophobicContact CG1-CB 4.07Å; V313-N350 HydrophobicContact CG2-CB 4.24Å; V313-N350 WeakPolarHBondContact CG2-OD1 3.41Å; V313-H375 PolarHBondContact O-ND1 3.45Å; V313-H375 VanDerWaalsContact O-ND1 3.15Å; V313-N376 PolarHBondContact O-ND2 2.88Å |
| 314 | Q | 94.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 130.1 | -177.4 | -61.1 | 174.7 | 5.9 | 0 | 0 | 109.5 | A307 H375 N376 R377 A379 | A307-Q314 PolarHBondContact N-O 2.96Å; A307-Q314 PolarHBondContact O-N 2.87Å; Q314-H375 WeakPolarHBondContact CA-O 3.44Å; Q314-N376 HydrophobicContact CG-CB 3.93Å; Q314-R377 HydrophobicContact CB-CB 4.26Å; Q314-R377 HydrophobicContact CG-CB 4.1Å; Q314-R377 HydrophobicContact CG-CG 4.13Å; Q314-A379 HydrophobicContact CB-CB 3.61Å |
| 315 | F | 96.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 157.1 | -178.4 | 59.4 | -97.9 | 0 | 0 | 0 | 112.9 | V313 A317 N347 W348 D349 W374 H375 | V313-F315 HydrophobicContact CG1-CD1 3.6Å; V313-F315 HydrophobicContact CG1-CE1 3.69Å; F315-A317 HydrophobicContact CD2-CB 4.29Å; F315-A317 HydrophobicContact CE2-CB 4.03Å; F315-N347 HydrophobicContact CB-CB 4.08Å; F315-N347 HydrophobicContact CD2-CB 4.18Å; F315-N347 WeakPolarHBondContact CD2-O 3.29Å; F315-N347 WeakPolarHBondContact CE2-O 3.41Å; F315-N347 HydrophobicContact CG-CB 4.33Å; F315-W348 WeakPolarHBondContact CE1-O 3.4Å; F315-W348 VanDerWaalsContact CZ-C 3.41Å; F315-W348 VanDerWaalsContact CZ-O 3.22Å; F315-W348 WeakPolarHBondContact CZ-O 3.3Å; F315-D349 WeakPolarHBondContact CB-O 3.35Å; F315-D349 WeakPolarHBondContact CD1-O 3.47Å; F315-D349 WeakPolarHBondContact CG-O 3.41Å; F315-W374 CarbonylContact O-C 3.51Å; F315-W374 WeakPolarHBondContact O-CA 3.21Å; F315-W374 VanDerWaalsContact O-CB 3.27Å; F315-W374 WeakPolarHBondContact O-CB 3.47Å; F315-H375 HydrophobicContact CD1-CB 3.86Å; F315-H375 HydrophobicContact CD2-CB 4.02Å; F315-H375 HydrophobicContact CE1-CB 3.47Å; F315-H375 VanDerWaalsContact CE1-CB 3.47Å; F315-H375 AromaticContact CE1-CG 3.64Å; F315-H375 AromaticContact CE1-ND1 3.81Å; F315-H375 HydrophobicContact CE2-CB 3.64Å; F315-H375 HydrophobicContact CG-CB 4.12Å; F315-H375 HydrophobicContact CZ-CB 3.35Å; F315-H375 AromaticContact CZ-CG 3.78Å; F315-H375 PolarHBondContact N-O 3.13Å; F315-H375 PolarHBondContact O-N 3.37Å |
| 316 | V | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.9 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | S318 Y319 N347 P371 I378 A379 L380 | V316-S318 VanDerWaalsContact CG1-O 3.25Å; V316-S318 WeakPolarHBondContact CG1-O 3.02Å; V316-Y319 HydrophobicContact CG1-CD1 4.12Å; V316-N347 PolarHBondContact O-N 3.48Å; V316-P371 HydrophobicContact CG1-CB 4.02Å; V316-P371 HydrophobicContact CG2-CB 4.22Å; V316-P371 HydrophobicContact CG2-CG 4.27Å; V316-I378 HydrophobicContact CG2-CG2 4.09Å; V316-A379 PolarHBondContact N-O 2.86Å; V316-L380 HydrophobicContact CB-CD1 4.44Å; V316-L380 HydrophobicContact CG2-CB 4.4Å; V316-L380 HydrophobicContact CG2-CD1 4.37Å |
| 317 | A | 96 | Very high | 93.5 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -26.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F315 G346 A373 | F315-A317 HydrophobicContact CD2-CB 4.29Å; F315-A317 HydrophobicContact CE2-CB 4.03Å; A317-G346 WeakPolarHBondContact O-CA 3.24Å; A317-G346 PolarHBondContact O-N 2.9Å; A317-A373 HydrophobicContact CB-CB 4.38Å; A317-A373 PolarHBondContact N-O 2.93Å |
| 318 | S | 96.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 152.7 | 167.3 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | V316 F344 V372 A373 | V316-S318 VanDerWaalsContact CG1-O 3.25Å; V316-S318 WeakPolarHBondContact CG1-O 3.02Å; S318-F344 VanDerWaalsContact CA-O 3.27Å; S318-F344 WeakPolarHBondContact CA-O 3.4Å; S318-F344 WeakPolarHBondContact CB-O 3.33Å; S318-V372 PolarHBondContact O-N 3.5Å; S318-A373 PolarHBondContact N-O 3.01Å; S318-A373 VanDerWaalsContact N-O 3.1Å; S318-A373 PolarHBondContact O-N 2.8Å; S318-A373 VanDerWaalsContact O-N 3.17Å; S318-A373 WeakPolarHBondContact OG-CB 3.41Å; S318-A373 PolarHBondContact OG-N 3.32Å |
| 319 | Y | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.3 | -178.9 | 57.7 | -90 | 0 | 0 | 0 | 111.9 | I302 T304 V316 V321 F344 N356 V369 L370 | I302-Y319 HydrophobicContact CD1-CE2 4.37Å; I302-Y319 HydrophobicContact CG2-CE2 4.05Å; I302-Y319 VanDerWaalsContact CG2-OH 3.31Å; I302-Y319 WeakPolarHBondContact CG2-OH 3.41Å; T304-Y319 HydrophobicContact CG2-CE1 3.68Å; T304-Y319 WeakPolarHBondContact CG2-OH 3.45Å; V316-Y319 HydrophobicContact CG1-CD1 4.12Å; Y319-V321 HydrophobicContact CD2-CG2 4.06Å; Y319-V321 HydrophobicContact CE2-CG2 3.93Å; Y319-F344 HydrophobicContact CD2-CB 4.04Å; Y319-F344 HydrophobicContact CD2-CD2 4.24Å; Y319-F344 HydrophobicContact CE1-CB 4.25Å; Y319-F344 HydrophobicContact CE2-CB 3.66Å; Y319-F344 HydrophobicContact CE2-CD2 4.01Å; Y319-F344 HydrophobicContact CE2-CG 4.02Å; Y319-F344 HydrophobicContact CG-CB 4.48Å; Y319-F344 PolarHBondContact N-O 2.04Å; Y319-F344 VanDerWaalsContact N-O 3.12Å; Y319-F344 PolarHBondContact O-N 2.87Å; Y319-N356 PolarHBondContact OH-ND2 3.42Å; Y319-V369 HydrophobicContact CD2-CG1 3.87Å; Y319-V369 HydrophobicContact CG-CG1 3.91Å; Y319-L370 CarbonylContact C-O 3.6Å; Y319-L370 WeakPolarHBondContact CA-O 3.3Å; Y319-L370 WeakPolarHBondContact CB-O 3.4Å |
| 320 | K | 97.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 164.4 | 160.4 | -60.1 | 175.5 | 174.6 | -173.2 | 0 | 109.8 | E332 I343 L370 V372 | K320-E332 WeakPolarHBondContact CD-OE2 3.09Å; K320-E332 VanDerWaalsContact NZ-CD 3.26Å; K320-E332 IonicContact NZ-OE1 2.7Å; K320-E332 PolarHBondContact NZ-OE1 2.77Å; K320-E332 IonicContact NZ-OE2 2.7Å; K320-E332 PolarHBondContact NZ-OE2 3Å; K320-I343 HydrophobicContact CG-CG1 4.32Å; K320-L370 HydrophobicContact CB-CB 4.2Å; K320-L370 HydrophobicContact CB-CD1 4.45Å; K320-L370 PolarHBondContact N-O 3.12Å; K320-L370 PolarHBondContact O-N 2.62Å; K320-V372 HydrophobicContact CG-CG2 3.99Å |
| 321 | V | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.9 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | Y319 Y333 F344 F358 I362 V367 R368 | Y319-V321 HydrophobicContact CD2-CG2 4.06Å; Y319-V321 HydrophobicContact CE2-CG2 3.93Å; V321-Y333 PolarHBondContact O-N 3.02Å; V321-F344 HydrophobicContact CB-CE2 4.2Å; V321-F344 HydrophobicContact CG2-CD2 4Å; V321-F344 HydrophobicContact CG2-CE2 3.84Å; V321-F358 HydrophobicContact CB-CZ 4.43Å; V321-F358 HydrophobicContact CG1-CZ 4.09Å; V321-F358 HydrophobicContact CG2-CE1 4.01Å; V321-F358 HydrophobicContact CG2-CZ 4.02Å; V321-I362 HydrophobicContact CG1-CD1 4.19Å; V321-V367 HydrophobicContact CG1-CG1 3.95Å; V321-R368 WeakPolarHBondContact CA-O 3.35Å |
| 322 | A | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | W330 T331 E332 R368 L370 | A322-W330 HydrophobicContact CB-CE3 4.17Å; A322-T331 CarbonylContact C-O 3.25Å; A322-T331 WeakPolarHBondContact CA-O 3.47Å; A322-E332 HydrophobicContact CB-CG 4.42Å; A322-R368 HydrophobicContact CB-CB 4.31Å; A322-R368 PolarHBondContact N-O 3.35Å; A322-R368 PolarHBondContact O-N 2.81Å; A322-L370 HydrophobicContact CB-CD1 3.87Å; A322-L370 HydrophobicContact CB-CG 4.38Å |
| 323 | Y | 97.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157.5 | -174.2 | 63 | -86.1 | 0 | 0 | 0 | 112.4 | T331 I362 A364 Y366 | Y323-T331 VanDerWaalsContact CD1-O 3.24Å; Y323-T331 WeakPolarHBondContact CD1-O 3.48Å; Y323-T331 HydrophobicContact CE1-CG2 3.96Å; Y323-T331 HydrophobicContact CE2-CG2 4.42Å; Y323-T331 PolarHBondContact N-O 2.03Å; Y323-T331 PolarHBondContact O-N 2.9Å; Y323-I362 HydrophobicContact CD1-CD1 4.07Å; Y323-I362 HydrophobicContact CD1-CG2 3.67Å; Y323-I362 HydrophobicContact CD2-CG2 3.48Å; Y323-I362 VanDerWaalsContact CD2-CG2 3.48Å; Y323-I362 HydrophobicContact CE1-CG2 4.15Å; Y323-I362 HydrophobicContact CE2-CG2 3.97Å; Y323-I362 HydrophobicContact CG-CG2 3.3Å; Y323-A364 HydrophobicContact CD2-CB 4.2Å; Y323-A364 HydrophobicContact CG-CB 4.42Å; Y323-Y366 CarbonylContact C-O 3.5Å; Y323-Y366 VanDerWaalsContact CA-O 3.31Å; Y323-Y366 WeakPolarHBondContact CA-O 3.39Å |
| 324 | S | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 155.4 | -174.8 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | D326 S327 N329 R365 Y366 | S324-D326 PolarHBondContact OG-N 2.84Å; S324-D326 PolarHBondContact OG-OD1 2.85Å; S324-S327 WeakPolarHBondContact OG-CA 3.11Å; S324-S327 PolarHBondContact OG-N 2.88Å; S324-N329 WeakPolarHBondContact CB-O 3.49Å; S324-N329 PolarHBondContact OG-O 2.84Å; S324-R365 PolarHBondContact O-N 3.27Å; S324-Y366 PolarHBondContact N-O 2.88Å; S324-Y366 PolarHBondContact O-N 3.03Å |
| 325 | N | 96.7 | Very high | 95.9 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -105.3 | -18.8 | 170.9 | -73.5 | -24.7 | 0 | 0 | 0 | 113.3 | L296 A364 R365 | L296-N325 VanDerWaalsContact CD1-OD1 3.26Å; L296-N325 WeakPolarHBondContact CD1-OD1 3.1Å; N325-A364 VanDerWaalsContact OD1-CA 3.3Å; N325-A364 WeakPolarHBondContact OD1-CA 3.11Å; N325-R365 PolarHBondContact OD1-N 2.93Å |
| 326 | D | 93.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -116.3 | -5.8 | -175.7 | 60.8 | 15.9 | 0 | 0 | 0 | 113.5 | S324 V328 N329 | S324-D326 PolarHBondContact OG-N 2.84Å; S324-D326 PolarHBondContact OG-OD1 2.85Å; D326-V328 PolarHBondContact O-N 2.8Å; D326-V328 PolarHBondContact OD1-N 2.77Å; D326-N329 PolarHBondContact OD1-N 3.49Å; D326-N329 PolarHBondContact OD2-ND2 2.82Å |
| 327 | S | 92.7 | Very high | 94.3 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 65 | 1.8 | -171.4 | 74.5 | 0 | 0 | 0 | 0 | 116.2 | S324 W330 | S324-S327 WeakPolarHBondContact OG-CA 3.11Å; S324-S327 PolarHBondContact OG-N 2.88Å; S327-W330 PolarHBondContact O-NE1 3.23Å |
| 328 | V | 93.3 | Very high | 93.9 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 67% | 0.667 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -105.3 | -51.2 | -177.8 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | D326 W330 | D326-V328 PolarHBondContact O-N 2.8Å; D326-V328 PolarHBondContact OD1-N 2.77Å; V328-W330 VanDerWaalsContact O-CD1 3.25Å |
| 329 | N | 96.1 | Very high | 93.4 | Very high | 109 Ų | 109 | 61.4 Ų | 61.4 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -94 | 124.9 | 178.7 | -64 | -62.8 | 0 | 0 | 0 | 109.4 | S324 D326 | S324-N329 WeakPolarHBondContact CB-O 3.49Å; S324-N329 PolarHBondContact OG-O 2.84Å; D326-N329 PolarHBondContact OD1-N 3.49Å; D326-N329 PolarHBondContact OD2-ND2 2.82Å |
| 330 | W | 96.8 | Very high | 93 | Very high | 63 Ų | 63 | 64.5 Ų | 64.5 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | trans | -121.7 | 127.9 | -173.4 | -69.6 | 87.3 | 0 | 0 | 0 | 111.4 | Q290 A322 S327 V328 R368 | Q290-W330 HydrophobicContact CG-CH2 4.04Å; A322-W330 HydrophobicContact CB-CE3 4.17Å; S327-W330 PolarHBondContact O-NE1 3.23Å; V328-W330 VanDerWaalsContact O-CD1 3.25Å; W330-R368 HydrophobicContact CE3-CB 4.18Å; W330-R368 HydrophobicContact CE3-CG 4.13Å; W330-R368 HydrophobicContact CH2-CB 4.26Å; W330-R368 HydrophobicContact CH2-CG 3.55Å; W330-R368 HydrophobicContact CZ2-CG 4.2Å; W330-R368 VanDerWaalsContact CZ2-CZ 3.42Å; W330-R368 VanDerWaalsContact CZ2-NE 3.3Å; W330-R368 HydrophobicContact CZ3-CB 3.72Å; W330-R368 HydrophobicContact CZ3-CG 3.52Å | ||
| 331 | T | 96.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 64 Ų | 64 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.6 | 174 | -55.5 | 0 | 0 | 0 | 0 | 108.8 | A322 Y323 | A322-T331 CarbonylContact C-O 3.25Å; A322-T331 WeakPolarHBondContact CA-O 3.47Å; Y323-T331 VanDerWaalsContact CD1-O 3.24Å; Y323-T331 WeakPolarHBondContact CD1-O 3.48Å; Y323-T331 HydrophobicContact CE1-CG2 3.96Å; Y323-T331 HydrophobicContact CE2-CG2 4.42Å; Y323-T331 PolarHBondContact N-O 2.03Å; Y323-T331 PolarHBondContact O-N 2.9Å |
| 332 | E | 96.7 | Very high | 92.6 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 29% | 0.29 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.5 | 169.5 | -69.1 | -168.2 | 166.9 | 0 | 0 | 110.1 | K320 A322 Q334 S341 | K320-E332 WeakPolarHBondContact CD-OE2 3.09Å; K320-E332 VanDerWaalsContact NZ-CD 3.26Å; K320-E332 IonicContact NZ-OE1 2.7Å; K320-E332 PolarHBondContact NZ-OE1 2.77Å; K320-E332 IonicContact NZ-OE2 2.7Å; K320-E332 PolarHBondContact NZ-OE2 3Å; A322-E332 HydrophobicContact CB-CG 4.42Å; E332-Q334 PolarHBondContact O-N 3.43Å; E332-S341 WeakPolarHBondContact OE2-CB 3.4Å; E332-S341 PolarHBondContact OE2-OG 2.89Å |
| 333 | Y | 96.4 | Very high | 92.5 | Very high | 13 Ų | 13 | 70.4 Ų | 70.4 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 124 | 173.9 | -177.8 | -98.3 | 0 | 0 | 0 | 110.4 | V321 K342 F344 F358 E359 T360 I362 | V321-Y333 PolarHBondContact O-N 3.02Å; Y333-K342 HydrophobicContact CD1-CB 3.71Å; Y333-K342 HydrophobicContact CD1-CG 4.26Å; Y333-K342 HydrophobicContact CE1-CB 4.1Å; Y333-K342 HydrophobicContact CE1-CG 4.26Å; Y333-K342 PolarHBondContact O-N 2.73Å; Y333-F344 AromaticContact CD1-CE2 3.82Å; Y333-F344 HydrophobicContact CD1-CE2 3.82Å; Y333-F344 AromaticContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CD1-CZ 3.5Å; Y333-F344 VanDerWaalsContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CE1-CE2 4.44Å; Y333-F344 AromaticContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CG-CZ 4.48Å; Y333-F358 HydrophobicContact CE2-CB 4.14Å; Y333-E359 PolarHBondContact OH-N 2.82Å; Y333-E359 VanDerWaalsContact OH-N 3.08Å; Y333-T360 WeakPolarHBondContact CE2-O 3.4Å; Y333-T360 PolarHBondContact OH-N 2.78Å; Y333-T360 VanDerWaalsContact OH-N 3.11Å; Y333-I362 HydrophobicContact CD2-CD1 3.54Å; Y333-I362 HydrophobicContact CD2-CG1 3.75Å; Y333-I362 HydrophobicContact CE2-CD1 4.26Å; Y333-I362 HydrophobicContact CE2-CG1 4.07Å; Y333-I362 HydrophobicContact CG-CD1 4.1Å |
| 334 | Q | 93.5 | Very high | 92.4 | Very high | 106 Ų | 106 | 67.7 Ų | 67.7 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -100.7 | 150.7 | -178.2 | -65.2 | -173.3 | -15 | 0 | 0 | 111.5 | E332 P336 G339 S340 | E332-Q334 PolarHBondContact O-N 3.43Å; Q334-P336 WeakPolarHBondContact O-CD 3.29Å; Q334-G339 VanDerWaalsContact CD-O 3.31Å; Q334-G339 PolarHBondContact OE1-O 2.65Å; Q334-S340 WeakPolarHBondContact CA-O 3.42Å |
| 335 | D | 86.9 | Confident | 92.2 | Very high | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 119.8 | 169.7 | -170.8 | -50.3 | 0 | 0 | 0 | 109.5 | R337 T338 G339 S340 K342 | D335-R337 PolarHBondContact O-N 3.01Å; D335-R337 VanDerWaalsContact OD1-CB 3.3Å; D335-R337 WeakPolarHBondContact OD1-CB 3.45Å; D335-R337 WeakPolarHBondContact OD1-CG 3.06Å; D335-R337 PolarHBondContact OD1-N 2.9Å; D335-T338 WeakPolarHBondContact CB-OG1 3.48Å; D335-T338 PolarHBondContact O-N 3.21Å; D335-G339 PolarHBondContact O-N 2.85Å; D335-S340 PolarHBondContact N-O 2.87Å; D335-K342 HydrophobicContact CB-CD 3.67Å; D335-K342 WeakPolarHBondContact OD2-CD 3.24Å; D335-K342 WeakPolarHBondContact OD2-CE 3.34Å; D335-K342 IonicContact OD2-NZ 2.99Å; D335-K342 PolarHBondContact OD2-NZ 2.96Å |
| 336 | P | 80.6 | Confident | 92.1 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 49% | 0.494 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.1 | -177.5 | -25.5 | 35.3 | 0 | 0 | 0 | 114.6 | Q334 E359 | Q334-P336 WeakPolarHBondContact O-CD 3.29Å; P336-E359 HydrophobicContact CG-CB 4.2Å |
| 337 | R | 81.8 | Confident | 92.2 | Very high | 179 Ų | 179 | 63.5 Ų | 63.5 | 68% | 0.675 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -22.8 | -175.4 | -47.2 | 176.5 | -160.2 | -162.1 | 2.2 | 112.8 | D335 E359 | D335-R337 PolarHBondContact O-N 3.01Å; D335-R337 VanDerWaalsContact OD1-CB 3.3Å; D335-R337 WeakPolarHBondContact OD1-CB 3.45Å; D335-R337 WeakPolarHBondContact OD1-CG 3.06Å; D335-R337 PolarHBondContact OD1-N 2.9Å; R337-E359 IonicContact CZ-OE2 3.81Å; R337-E359 VanDerWaalsContact CZ-OE2 3.28Å; R337-E359 IonicContact NE-OE2 2.68Å; R337-E359 PolarHBondContact NE-OE2 3.07Å; R337-E359 IonicContact NH2-OE1 2.68Å; R337-E359 IonicContact NH2-OE2 3.68Å; R337-E359 PolarHBondContact NH2-OE2 2.57Å |
| 338 | T | 86.4 | Confident | 92.2 | Very high | 92 Ų | 92 | 70.2 Ų | 70.2 | 56% | 0.564 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | -16.2 | -175.4 | 69.5 | 0 | 0 | 0 | 0 | 114 | D335 S340 | D335-T338 WeakPolarHBondContact CB-OG1 3.48Å; D335-T338 PolarHBondContact O-N 3.21Å; T338-S340 PolarHBondContact O-N 2.88Å; T338-S340 PolarHBondContact OG1-N 2.76Å; T338-S340 PolarHBondContact OG1-OG 3.39Å |
| 339 | G | 86.1 | Confident | 92.1 | Very high | 45 Ų | 45 | 66.3 Ų | 66.3 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | trans | 67.8 | 6.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q334 D335 | Q334-G339 VanDerWaalsContact CD-O 3.31Å; Q334-G339 PolarHBondContact OE1-O 2.65Å; D335-G339 PolarHBondContact O-N 2.85Å | ||
| 340 | S | 90.5 | Very high | 91.9 | Very high | 66 Ų | 66 | 63.1 Ų | 63.1 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -95.9 | 153.1 | 177.5 | 66.9 | 0 | 0 | 0 | 0 | 111.3 | Q334 D335 T338 K342 | Q334-S340 WeakPolarHBondContact CA-O 3.42Å; D335-S340 PolarHBondContact N-O 2.87Å; T338-S340 PolarHBondContact O-N 2.88Å; T338-S340 PolarHBondContact OG1-N 2.76Å; T338-S340 PolarHBondContact OG1-OG 3.39Å; S340-K342 PolarHBondContact O-N 2.85Å |
| 341 | S | 92.6 | Very high | 91.5 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -52.7 | 120.9 | 174.4 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | E332 I343 | E332-S341 WeakPolarHBondContact OE2-CB 3.4Å; E332-S341 PolarHBondContact OE2-OG 2.89Å; S341-I343 PolarHBondContact O-N 3.18Å |
| 342 | K | 94.2 | Very high | 91.1 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 126.9 | -178.1 | -168.6 | 81.7 | 175.4 | -163.3 | 0 | 110 | Y333 D335 S340 F344 E359 | Y333-K342 HydrophobicContact CD1-CB 3.71Å; Y333-K342 HydrophobicContact CD1-CG 4.26Å; Y333-K342 HydrophobicContact CE1-CB 4.1Å; Y333-K342 HydrophobicContact CE1-CG 4.26Å; Y333-K342 PolarHBondContact O-N 2.73Å; D335-K342 HydrophobicContact CB-CD 3.67Å; D335-K342 WeakPolarHBondContact OD2-CD 3.24Å; D335-K342 WeakPolarHBondContact OD2-CE 3.34Å; D335-K342 IonicContact OD2-NZ 2.99Å; D335-K342 PolarHBondContact OD2-NZ 2.96Å; S340-K342 PolarHBondContact O-N 2.85Å; K342-F344 HydrophobicContact CB-CE2 4.06Å; K342-F344 HydrophobicContact CB-CZ 4.19Å; K342-F344 HydrophobicContact CG-CD1 4.33Å; K342-F344 HydrophobicContact CG-CD2 4.33Å; K342-F344 HydrophobicContact CG-CE1 3.94Å; K342-F344 HydrophobicContact CG-CE2 3.93Å; K342-F344 HydrophobicContact CG-CZ 3.72Å; K342-E359 IonicContact NZ-OE1 2.71Å; K342-E359 PolarHBondContact NZ-OE1 2.96Å |
| 343 | I | 95.4 | Very high | 90.9 | Very high | 95 Ų | 95 | 64.4 Ų | 64.4 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 118.4 | 167.2 | -60 | 174.1 | 0 | 0 | 0 | 107.6 | K320 S341 | K320-I343 HydrophobicContact CG-CG1 4.32Å; S341-I343 PolarHBondContact O-N 3.18Å |
| 344 | F | 95 | Very high | 90.6 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.1 | 176.8 | -65.9 | -82.6 | 0 | 0 | 0 | 110.8 | S318 Y319 V321 Y333 K342 G346 N356 F358 | S318-F344 VanDerWaalsContact CA-O 3.27Å; S318-F344 WeakPolarHBondContact CA-O 3.4Å; S318-F344 WeakPolarHBondContact CB-O 3.33Å; Y319-F344 HydrophobicContact CD2-CB 4.04Å; Y319-F344 HydrophobicContact CD2-CD2 4.24Å; Y319-F344 HydrophobicContact CE1-CB 4.25Å; Y319-F344 HydrophobicContact CE2-CB 3.66Å; Y319-F344 HydrophobicContact CE2-CD2 4.01Å; Y319-F344 HydrophobicContact CE2-CG 4.02Å; Y319-F344 HydrophobicContact CG-CB 4.48Å; Y319-F344 PolarHBondContact N-O 2.04Å; Y319-F344 VanDerWaalsContact N-O 3.12Å; Y319-F344 PolarHBondContact O-N 2.87Å; V321-F344 HydrophobicContact CB-CE2 4.2Å; V321-F344 HydrophobicContact CG2-CD2 4Å; V321-F344 HydrophobicContact CG2-CE2 3.84Å; Y333-F344 AromaticContact CD1-CE2 3.82Å; Y333-F344 HydrophobicContact CD1-CE2 3.82Å; Y333-F344 AromaticContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CD1-CZ 3.5Å; Y333-F344 VanDerWaalsContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CE1-CE2 4.44Å; Y333-F344 AromaticContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CG-CZ 4.48Å; K342-F344 HydrophobicContact CB-CE2 4.06Å; K342-F344 HydrophobicContact CB-CZ 4.19Å; K342-F344 HydrophobicContact CG-CD1 4.33Å; K342-F344 HydrophobicContact CG-CD2 4.33Å; K342-F344 HydrophobicContact CG-CE1 3.94Å; K342-F344 HydrophobicContact CG-CE2 3.93Å; K342-F344 HydrophobicContact CG-CZ 3.72Å; F344-G346 PolarHBondContact O-N 2.9Å; F344-N356 HydrophobicContact CD1-CB 3.86Å; F344-F358 AromaticContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CE1 4.06Å; F344-F358 HydrophobicContact CE2-CD1 4.31Å; F344-F358 HydrophobicContact CE2-CE1 4.02Å; F344-F358 AromaticContact CZ-CD1 3.44Å; F344-F358 HydrophobicContact CZ-CD1 3.44Å; F344-F358 VanDerWaalsContact CZ-CD1 3.44Å; F344-F358 AromaticContact CZ-CE1 3.57Å; F344-F358 HydrophobicContact CZ-CE1 3.57Å |
| 345 | P | 94.8 | Very high | 90.5 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 122.1 | 171.1 | 29.8 | -32.5 | 0 | 0 | 0 | 109.6 | K354 N356 | P345-K354 WeakPolarHBondContact O-CE 3.16Å; P345-K354 WeakPolarHBondContact O-CG 3.43Å; P345-N356 PolarHBondContact O-ND2 3.46Å |
| 346 | G | 94.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | trans | -88 | -149.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A317 F344 K354 | A317-G346 WeakPolarHBondContact O-CA 3.24Å; A317-G346 PolarHBondContact O-N 2.9Å; F344-G346 PolarHBondContact O-N 2.9Å; G346-K354 WeakPolarHBondContact O-CG 3.33Å | ||
| 347 | N | 95.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | trans | -76.1 | 160 | -179.5 | -60.4 | 100 | 0 | 0 | 0 | 112 | T304 Q305 F315 V316 S352 | T304-N347 VanDerWaalsContact C-OD1 3.29Å; T304-N347 WeakPolarHBondContact CB-OD1 3.46Å; T304-N347 PolarHBondContact O-ND2 2.03Å; Q305-N347 WeakPolarHBondContact CA-ND2 3.05Å; Q305-N347 WeakPolarHBondContact CA-OD1 3.21Å; Q305-N347 PolarHBondContact N-OD1 3.16Å; F315-N347 HydrophobicContact CB-CB 4.08Å; F315-N347 HydrophobicContact CD2-CB 4.18Å; F315-N347 WeakPolarHBondContact CD2-O 3.29Å; F315-N347 WeakPolarHBondContact CE2-O 3.41Å; F315-N347 HydrophobicContact CG-CB 4.33Å; V316-N347 PolarHBondContact O-N 3.48Å; N347-S352 PolarHBondContact ND2-O 3.15Å | ||
| 348 | W | 91.9 | Very high | 91.3 | Very high | 185 Ų | 185 | 52.2 Ų | 52.2 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -116.1 | -6 | 171.2 | 63.2 | -87.1 | 0 | 0 | 0 | 112.5 | F315 | F315-W348 WeakPolarHBondContact CE1-O 3.4Å; F315-W348 VanDerWaalsContact CZ-C 3.41Å; F315-W348 VanDerWaalsContact CZ-O 3.22Å; F315-W348 WeakPolarHBondContact CZ-O 3.3Å |
| 349 | D | 91.4 | Very high | 91.1 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -144.7 | -171.7 | 178.8 | 75.7 | 7.1 | 0 | 0 | 0 | 111.6 | F315 H351 S352 | F315-D349 WeakPolarHBondContact CB-O 3.35Å; F315-D349 WeakPolarHBondContact CD1-O 3.47Å; F315-D349 WeakPolarHBondContact CG-O 3.41Å; D349-H351 PolarHBondContact OD1-N 2.82Å; D349-S352 WeakPolarHBondContact OD1-CB 3.35Å; D349-S352 PolarHBondContact OD1-N 2.98Å; D349-S352 VanDerWaalsContact OD2-CB 3.28Å; D349-S352 WeakPolarHBondContact OD2-CB 3.44Å; D349-S352 PolarHBondContact OD2-N 2.76Å; D349-S352 PolarHBondContact OD2-OG 2.89Å |
| 350 | N | 91.2 | Very high | 91.1 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -91.3 | -2.1 | 176.9 | 66.6 | -82.2 | 0 | 0 | 0 | 116 | G306 A307 R308 V313 R381 | G306-N350 CarbonylContact C-O 3.5Å; A307-N350 WeakPolarHBondContact O-CB 3Å; R308-N350 HydrophobicContact CB-CB 4.3Å; V313-N350 HydrophobicContact CG1-CB 4.07Å; V313-N350 HydrophobicContact CG2-CB 4.24Å; V313-N350 WeakPolarHBondContact CG2-OD1 3.41Å; N350-R381 PolarHBondContact O-NH2 2.94Å |
| 351 | H | 88.7 | Confident | 91.1 | Very high | 116 Ų | 116 | 52.6 Ų | 52.6 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -138.4 | -41.6 | -164.9 | -175.4 | 38.8 | 0 | 0 | 0 | 114.7 | Q305 D349 H353 | Q305-H351 WeakPolarHBondContact CG-O 3.01Å; Q305-H351 PolarHBondContact NE2-O 2.85Å; D349-H351 PolarHBondContact OD1-N 2.82Å; H351-H353 PolarHBondContact O-N 3.01Å |
| 352 | S | 88.2 | Confident | 91.2 | Very high | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -59.3 | 132.9 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | N347 D349 | N347-S352 PolarHBondContact ND2-O 3.15Å; D349-S352 WeakPolarHBondContact OD1-CB 3.35Å; D349-S352 PolarHBondContact OD1-N 2.98Å; D349-S352 VanDerWaalsContact OD2-CB 3.28Å; D349-S352 WeakPolarHBondContact OD2-CB 3.44Å; D349-S352 PolarHBondContact OD2-N 2.76Å; D349-S352 PolarHBondContact OD2-OG 2.89Å |
| 353 | H | 92.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | trans | -73.3 | 141.2 | 172.6 | -63.8 | 171.2 | 0 | 0 | 0 | 110.1 | D270 I303 Q305 H351 | D270-H353 VanDerWaalsContact CG-NE2 3.33Å; D270-H353 IonicContact OD1-CD2 3.78Å; D270-H353 IonicContact OD1-CE1 2.87Å; D270-H353 IonicContact OD1-NE2 2.77Å; D270-H353 PolarHBondContact OD1-NE2 2.85Å; D270-H353 IonicContact OD2-CE1 3.33Å; D270-H353 PolarHBondContact OD2-CE1 3.24Å; D270-H353 IonicContact OD2-NE2 3.49Å; D270-H353 PolarHBondContact OD2-NE2 3.24Å; I303-H353 HydrophobicContact CG2-CB 3.82Å; Q305-H353 PolarHBondContact NE2-CD2 3.26Å; Q305-H353 PolarHBondContact NE2-NE2 3.09Å; H351-H353 PolarHBondContact O-N 3.01Å | ||
| 354 | K | 91.3 | Very high | 91.2 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 106.6 | 166.5 | -179.8 | 62.6 | 175.6 | 167.4 | 0 | 109 | G79 I303 T304 P345 G346 | G79-K354 PolarHBondContact O-NZ 3.49Å; I303-K354 WeakPolarHBondContact CA-O 3.17Å; T304-K354 PolarHBondContact N-O 3.15Å; T304-K354 PolarHBondContact O-N 3.42Å; T304-K354 PolarHBondContact OG1-O 2.98Å; P345-K354 WeakPolarHBondContact O-CE 3.16Å; P345-K354 WeakPolarHBondContact O-CG 3.43Å; G346-K354 WeakPolarHBondContact O-CG 3.33Å |
| 355 | K | 90.4 | Very high | 91.3 | Very high | 50 Ų | 50 | 53 Ų | 53 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.2 | 172.4 | -167.6 | 179.8 | -168.6 | -160.9 | 0 | 107.5 | N80 E226 I303 L357 L385 | N80-K355 HydrophobicContact CB-CB 4.48Å; N80-K355 PolarHBondContact OD1-N 3.22Å; E226-K355 IonicContact OE1-NZ 3.77Å; E226-K355 IonicContact OE2-NZ 3.8Å; E226-K355 PolarHBondContact OE2-NZ 3.42Å; I303-K355 HydrophobicContact CG1-CB 4.22Å; I303-K355 HydrophobicContact CG1-CG 4Å; K355-L357 HydrophobicContact CD-CD1 3.93Å; K355-L357 HydrophobicContact CD-CG 4.4Å; K355-L357 HydrophobicContact CG-CD1 4.15Å; K355-L357 HydrophobicContact CG-CG 4.14Å; K355-L385 HydrophobicContact CD-CD1 4.21Å; K355-L385 HydrophobicContact CG-CD1 4.11Å |
| 356 | N | 90.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.5 | 165.4 | -71.3 | -55.1 | 0 | 0 | 0 | 108 | G301 I302 Y319 F344 P345 | G301-N356 WeakPolarHBondContact CA-O 3.4Å; I302-N356 HydrophobicContact CG2-CB 4.32Å; I302-N356 PolarHBondContact N-O 2.78Å; I302-N356 PolarHBondContact O-N 3.21Å; I302-N356 VanDerWaalsContact O-O 3.07Å; Y319-N356 PolarHBondContact OH-ND2 3.42Å; F344-N356 HydrophobicContact CD1-CB 3.86Å; P345-N356 PolarHBondContact O-ND2 3.46Å |
| 357 | L | 86.4 | Confident | 91.7 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.7 | -178.2 | -69.8 | 157.4 | 0 | 0 | 0 | 108.2 | R134 F231 K355 L385 | R134-L357 VanDerWaalsContact CZ-CD1 3.46Å; F231-L357 HydrophobicContact CD1-CD2 3.76Å; F231-L357 HydrophobicContact CE1-CD2 4.02Å; K355-L357 HydrophobicContact CD-CD1 3.93Å; K355-L357 HydrophobicContact CD-CG 4.4Å; K355-L357 HydrophobicContact CG-CD1 4.15Å; K355-L357 HydrophobicContact CG-CG 4.14Å; L357-L385 HydrophobicContact CD2-CD1 3.92Å |
| 358 | F | 88.9 | Confident | 91.8 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.5 | -178 | -52.3 | -35.1 | 0 | 0 | 0 | 109.2 | V299 T300 I302 V321 Y333 F344 T360 I362 | V299-F358 HydrophobicContact CG1-CE2 4Å; V299-F358 WeakPolarHBondContact O-CD2 2.98Å; T300-F358 PolarHBondContact O-N 2.79Å; I302-F358 HydrophobicContact CG2-CE1 4.04Å; I302-F358 HydrophobicContact CG2-CZ 4.04Å; V321-F358 HydrophobicContact CB-CZ 4.43Å; V321-F358 HydrophobicContact CG1-CZ 4.09Å; V321-F358 HydrophobicContact CG2-CE1 4.01Å; V321-F358 HydrophobicContact CG2-CZ 4.02Å; Y333-F358 HydrophobicContact CE2-CB 4.14Å; F344-F358 AromaticContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CE1 4.06Å; F344-F358 HydrophobicContact CE2-CD1 4.31Å; F344-F358 HydrophobicContact CE2-CE1 4.02Å; F344-F358 AromaticContact CZ-CD1 3.44Å; F344-F358 HydrophobicContact CZ-CD1 3.44Å; F344-F358 VanDerWaalsContact CZ-CD1 3.44Å; F344-F358 AromaticContact CZ-CE1 3.57Å; F344-F358 HydrophobicContact CZ-CE1 3.57Å; F358-T360 WeakPolarHBondContact CB-O 3.05Å; F358-T360 PolarHBondContact O-N 3.4Å; F358-I362 HydrophobicContact CD2-CD1 3.57Å; F358-I362 HydrophobicContact CD2-CG1 3.76Å; F358-I362 HydrophobicContact CE2-CD1 3.51Å; F358-I362 HydrophobicContact CE2-CG1 4.13Å; F358-I362 HydrophobicContact CG-CD1 4.23Å; F358-I362 HydrophobicContact CG-CG1 4.45Å; F358-I362 HydrophobicContact CZ-CD1 4.12Å |
| 359 | E | 83.5 | Confident | 92.1 | Very high | 80 Ų | 80 | 44 Ų | 44 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -18.5 | 176.7 | -66.5 | 178.5 | -126.7 | 0 | 0 | 111.3 | Y333 P336 R337 K342 | Y333-E359 PolarHBondContact OH-N 2.82Å; Y333-E359 VanDerWaalsContact OH-N 3.08Å; P336-E359 HydrophobicContact CG-CB 4.2Å; R337-E359 IonicContact CZ-OE2 3.81Å; R337-E359 VanDerWaalsContact CZ-OE2 3.28Å; R337-E359 IonicContact NE-OE2 2.68Å; R337-E359 PolarHBondContact NE-OE2 3.07Å; R337-E359 IonicContact NH2-OE1 2.68Å; R337-E359 IonicContact NH2-OE2 3.68Å; R337-E359 PolarHBondContact NH2-OE2 2.57Å; K342-E359 IonicContact NZ-OE1 2.71Å; K342-E359 PolarHBondContact NZ-OE1 2.96Å |
| 360 | T | 85.3 | Confident | 92.4 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 44% | 0.436 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 123.8 | 173.7 | -49.8 | 0 | 0 | 0 | 0 | 106.9 | Y333 F358 | Y333-T360 WeakPolarHBondContact CE2-O 3.4Å; Y333-T360 PolarHBondContact OH-N 2.78Å; Y333-T360 VanDerWaalsContact OH-N 3.11Å; F358-T360 WeakPolarHBondContact CB-O 3.05Å; F358-T360 PolarHBondContact O-N 3.4Å |
| 361 | P | 90 | Very high | 92.7 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 149.9 | 176.9 | -25.6 | 35.4 | 0 | 0 | 0 | 112.8 | E298 T300 | E298-P361 HydrophobicContact CG-CB 3.6Å; E298-P361 WeakPolarHBondContact OE1-CB 3.34Å; E298-P361 VanDerWaalsContact OE1-CG 3.22Å; E298-P361 WeakPolarHBondContact OE1-CG 3.33Å; T300-P361 HydrophobicContact CG2-CB 4.1Å; T300-P361 HydrophobicContact CG2-CG 4.16Å |
| 362 | I | 94 | Very high | 93.1 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 113.5 | -178.4 | -56.9 | -180 | 0 | 0 | 0 | 108.8 | V299 V321 Y323 Y333 F358 A364 | V299-I362 HydrophobicContact CB-CB 4.4Å; V299-I362 PolarHBondContact N-O 2.81Å; V299-I362 PolarHBondContact O-N 3.08Å; V321-I362 HydrophobicContact CG1-CD1 4.19Å; Y323-I362 HydrophobicContact CD1-CD1 4.07Å; Y323-I362 HydrophobicContact CD1-CG2 3.67Å; Y323-I362 HydrophobicContact CD2-CG2 3.48Å; Y323-I362 VanDerWaalsContact CD2-CG2 3.48Å; Y323-I362 HydrophobicContact CE1-CG2 4.15Å; Y323-I362 HydrophobicContact CE2-CG2 3.97Å; Y323-I362 HydrophobicContact CG-CG2 3.3Å; Y333-I362 HydrophobicContact CD2-CD1 3.54Å; Y333-I362 HydrophobicContact CD2-CG1 3.75Å; Y333-I362 HydrophobicContact CE2-CD1 4.26Å; Y333-I362 HydrophobicContact CE2-CG1 4.07Å; Y333-I362 HydrophobicContact CG-CD1 4.1Å; F358-I362 HydrophobicContact CD2-CD1 3.57Å; F358-I362 HydrophobicContact CD2-CG1 3.76Å; F358-I362 HydrophobicContact CE2-CD1 3.51Å; F358-I362 HydrophobicContact CE2-CG1 4.13Å; F358-I362 HydrophobicContact CG-CD1 4.23Å; F358-I362 HydrophobicContact CG-CG1 4.45Å; F358-I362 HydrophobicContact CZ-CD1 4.12Å; I362-A364 HydrophobicContact CG2-CB 3.8Å; I362-A364 PolarHBondContact O-N 3.01Å |
| 363 | L | 95 | Very high | 93.5 | Very high | 109 Ų | 109 | 39.1 Ų | 39.1 | 57% | 0.571 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 102.1 | 168.8 | -70.5 | 170.6 | 0 | 0 | 0 | 109.6 | K297 E298 | K297-L363 WeakPolarHBondContact O-CA 3.47Å; E298-L363 HydrophobicContact CB-CD2 3.75Å; E298-L363 HydrophobicContact CG-CD2 4.27Å |
| 364 | A | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K297 Y323 N325 I362 | K297-A364 PolarHBondContact N-O 3.43Å; K297-A364 PolarHBondContact O-N 3.49Å; K297-A364 VanDerWaalsContact O-O 3.09Å; Y323-A364 HydrophobicContact CD2-CB 4.2Å; Y323-A364 HydrophobicContact CG-CB 4.42Å; N325-A364 VanDerWaalsContact OD1-CA 3.3Å; N325-A364 WeakPolarHBondContact OD1-CA 3.11Å; I362-A364 HydrophobicContact CG2-CB 3.8Å; I362-A364 PolarHBondContact O-N 3.01Å |
| 365 | R | 97.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -36.9 | 164.3 | 174.8 | 173.5 | 168.6 | 178.8 | -2.6 | 112.1 | D292 L293 G294 S295 S324 N325 | D292-R365 WeakPolarHBondContact OD1-CG 3.06Å; D292-R365 IonicContact OD1-CZ 3.83Å; D292-R365 IonicContact OD1-NE 3.67Å; D292-R365 PolarHBondContact OD1-NE 3.06Å; D292-R365 IonicContact OD1-NH2 2.67Å; D292-R365 PolarHBondContact OD1-NH2 3.41Å; D292-R365 IonicContact OD2-CZ 3.33Å; D292-R365 IonicContact OD2-NE 3.88Å; D292-R365 IonicContact OD2-NH2 2.76Å; D292-R365 PolarHBondContact OD2-NH2 2.79Å; L293-R365 VanDerWaalsContact CB-O 3.31Å; L293-R365 WeakPolarHBondContact CB-O 3.43Å; L293-R365 WeakPolarHBondContact CG-O 3.4Å; L293-R365 PolarHBondContact N-O 2.99Å; G294-R365 VanDerWaalsContact O-CZ 3.32Å; G294-R365 PolarHBondContact O-NE 3.15Å; S295-R365 WeakPolarHBondContact O-CA 3.21Å; S295-R365 WeakPolarHBondContact O-CG 3.36Å; S324-R365 PolarHBondContact O-N 3.27Å; N325-R365 PolarHBondContact OD1-N 2.93Å |
| 366 | Y | 98.3 | Very high | 94 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 12% | 0.122 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.4 | -177.8 | -56.4 | -87.6 | 0 | 0 | 0 | 110.3 | V291 D292 Y323 S324 | V291-Y366 WeakPolarHBondContact O-CA 3.1Å; D292-Y366 HydrophobicContact CB-CD1 3.69Å; D292-Y366 HydrophobicContact CB-CE1 3.57Å; D292-Y366 WeakPolarHBondContact OD1-CE1 3.47Å; Y323-Y366 CarbonylContact C-O 3.5Å; Y323-Y366 VanDerWaalsContact CA-O 3.31Å; Y323-Y366 WeakPolarHBondContact CA-O 3.39Å; S324-Y366 PolarHBondContact N-O 2.88Å; S324-Y366 PolarHBondContact O-N 3.03Å |
| 367 | V | 98.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.4 | 176.8 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | Q290 V291 L293 V299 V321 L384 | Q290-V367 CarbonylContact C-O 3.53Å; Q290-V367 VanDerWaalsContact CA-O 3.3Å; Q290-V367 WeakPolarHBondContact CA-O 3.17Å; V291-V367 PolarHBondContact N-O 2.79Å; V291-V367 PolarHBondContact O-N 2.83Å; L293-V367 HydrophobicContact CD1-CG2 4.17Å; V299-V367 HydrophobicContact CG2-CG2 4Å; V321-V367 HydrophobicContact CG1-CG1 3.95Å; V367-L384 HydrophobicContact CB-CD1 4.02Å; V367-L384 HydrophobicContact CG1-CD1 4.3Å; V367-L384 HydrophobicContact CG1-CD2 4.18Å; V367-L384 HydrophobicContact CG2-CD1 4.21Å |
| 368 | R | 98 | Very high | 94.6 | Very high | 45 Ų | 45 | 43 Ų | 43 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.7 | 172.7 | -89.7 | 177.7 | -173.5 | 171 | 7.1 | 110.9 | W288 L289 Q290 V321 A322 W330 L370 | W288-R368 HydrophobicContact CB-CG 4.43Å; W288-R368 HydrophobicContact CE3-CG 4.28Å; L289-R368 CarbonylContact O-C 3.57Å; L289-R368 VanDerWaalsContact O-CA 3.27Å; L289-R368 WeakPolarHBondContact O-CA 3.43Å; Q290-R368 HydrophobicContact CB-CG 3.75Å; Q290-R368 HydrophobicContact CG-CG 4.11Å; Q290-R368 VanDerWaalsContact OE1-CZ 3.27Å; V321-R368 WeakPolarHBondContact CA-O 3.35Å; A322-R368 HydrophobicContact CB-CB 4.31Å; A322-R368 PolarHBondContact N-O 3.35Å; A322-R368 PolarHBondContact O-N 2.81Å; W330-R368 HydrophobicContact CE3-CB 4.18Å; W330-R368 HydrophobicContact CE3-CG 4.13Å; W330-R368 HydrophobicContact CH2-CB 4.26Å; W330-R368 HydrophobicContact CH2-CG 3.55Å; W330-R368 HydrophobicContact CZ2-CG 4.2Å; W330-R368 VanDerWaalsContact CZ2-CZ 3.42Å; W330-R368 VanDerWaalsContact CZ2-NE 3.3Å; W330-R368 HydrophobicContact CZ3-CB 3.72Å; W330-R368 HydrophobicContact CZ3-CG 3.52Å; R368-L370 HydrophobicContact CB-CD2 4.12Å |
| 369 | V | 98.2 | Very high | 95 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.6 | 164.2 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | W288 L289 I302 Y319 L380 L382 | W288-V369 WeakPolarHBondContact CA-O 3.37Å; L289-V369 PolarHBondContact N-O 3.28Å; L289-V369 VanDerWaalsContact N-O 3.15Å; L289-V369 PolarHBondContact O-N 2.82Å; I302-V369 HydrophobicContact CD1-CG2 3.53Å; Y319-V369 HydrophobicContact CD2-CG1 3.87Å; Y319-V369 HydrophobicContact CG-CG1 3.91Å; V369-L380 HydrophobicContact CB-CD2 4.21Å; V369-L380 HydrophobicContact CG1-CD2 3.84Å; V369-L380 HydrophobicContact CG2-CD2 4.44Å; V369-L382 HydrophobicContact CG2-CD2 4.41Å |
| 370 | L | 97.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 38.8 Ų | 38.8 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 98.6 | -177.7 | -52.5 | -178.8 | 0 | 0 | 0 | 109.2 | W288 Y319 K320 A322 R368 | W288-L370 HydrophobicContact CB-CD2 3.54Å; Y319-L370 CarbonylContact C-O 3.6Å; Y319-L370 WeakPolarHBondContact CA-O 3.3Å; Y319-L370 WeakPolarHBondContact CB-O 3.4Å; K320-L370 HydrophobicContact CB-CB 4.2Å; K320-L370 HydrophobicContact CB-CD1 4.45Å; K320-L370 PolarHBondContact N-O 3.12Å; K320-L370 PolarHBondContact O-N 2.62Å; A322-L370 HydrophobicContact CB-CD1 3.87Å; A322-L370 HydrophobicContact CB-CG 4.38Å; R368-L370 HydrophobicContact CB-CD2 4.12Å |
| 371 | P | 97.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 134.4 | -179.7 | -23.1 | 36.9 | 0 | 0 | 0 | 112.2 | W278 Q287 V316 W374 I378 | W278-P371 HydrophobicContact CZ3-CG 4.42Å; Q287-P371 WeakPolarHBondContact O-CD 3.28Å; V316-P371 HydrophobicContact CG1-CB 4.02Å; V316-P371 HydrophobicContact CG2-CB 4.22Å; V316-P371 HydrophobicContact CG2-CG 4.27Å; P371-W374 HydrophobicContact CB-CE3 4.34Å; P371-I378 HydrophobicContact CB-CD1 4.33Å; P371-I378 HydrophobicContact CB-CG1 4.36Å; P371-I378 HydrophobicContact CB-CG2 3.97Å; P371-I378 HydrophobicContact CG-CG2 3.57Å |
| 372 | V | 96.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 33 Ų | 33 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -36.9 | -179.7 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | S318 K320 | S318-V372 PolarHBondContact O-N 3.5Å; K320-V372 HydrophobicContact CG-CG2 3.99Å |
| 373 | A | 96.6 | Very high | 96.7 | Very high | 40 Ų | 40 | 33 Ų | 33 | 33% | 0.331 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A317 S318 | A317-A373 HydrophobicContact CB-CB 4.38Å; A317-A373 PolarHBondContact N-O 2.93Å; S318-A373 PolarHBondContact N-O 3.01Å; S318-A373 VanDerWaalsContact N-O 3.1Å; S318-A373 PolarHBondContact O-N 2.8Å; S318-A373 VanDerWaalsContact O-N 3.17Å; S318-A373 WeakPolarHBondContact OG-CB 3.41Å; S318-A373 PolarHBondContact OG-N 3.32Å |
| 374 | W | 96.6 | Very high | 96.8 | Very high | 64 Ų | 64 | 27.8 Ų | 27.8 | 24% | 0.242 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 160.8 | -177.1 | 55.8 | 86.3 | 0 | 0 | 0 | 111.5 | Y283 N285 F315 P371 I378 | Y283-W374 AromaticContact CD1-NE1 4Å; Y283-W374 WeakPolarHBondContact O-CZ2 3.21Å; N285-W374 VanDerWaalsContact OD1-CH2 3.23Å; N285-W374 WeakPolarHBondContact OD1-CH2 3.45Å; N285-W374 WeakPolarHBondContact OD1-CZ3 3.36Å; F315-W374 CarbonylContact O-C 3.51Å; F315-W374 WeakPolarHBondContact O-CA 3.21Å; F315-W374 VanDerWaalsContact O-CB 3.27Å; F315-W374 WeakPolarHBondContact O-CB 3.47Å; P371-W374 HydrophobicContact CB-CE3 4.34Å; W374-I378 HydrophobicContact CB-CG1 4.17Å; W374-I378 HydrophobicContact CD2-CD1 3.97Å; W374-I378 HydrophobicContact CD2-CG1 3.33Å; W374-I378 HydrophobicContact CE3-CD1 3.8Å; W374-I378 HydrophobicContact CE3-CG1 3.53Å; W374-I378 HydrophobicContact CG-CG1 3.62Å; W374-I378 HydrophobicContact CH2-CD1 4.04Å; W374-I378 HydrophobicContact CH2-CG1 4.47Å; W374-I378 HydrophobicContact CZ2-CD1 4.2Å; W374-I378 HydrophobicContact CZ2-CG1 4.33Å; W374-I378 HydrophobicContact CZ3-CD1 3.84Å; W374-I378 HydrophobicContact CZ3-CG1 4.1Å |
| 375 | H | 95.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 28.1 Ų | 28.1 | 38% | 0.375 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126 | 172.8 | -179.2 | -90.2 | 0 | 0 | 0 | 109.9 | V313 Q314 F315 R377 | V313-H375 PolarHBondContact O-ND1 3.45Å; V313-H375 VanDerWaalsContact O-ND1 3.15Å; Q314-H375 WeakPolarHBondContact CA-O 3.44Å; F315-H375 HydrophobicContact CD1-CB 3.86Å; F315-H375 HydrophobicContact CD2-CB 4.02Å; F315-H375 HydrophobicContact CE1-CB 3.47Å; F315-H375 VanDerWaalsContact CE1-CB 3.47Å; F315-H375 AromaticContact CE1-CG 3.64Å; F315-H375 AromaticContact CE1-ND1 3.81Å; F315-H375 HydrophobicContact CE2-CB 3.64Å; F315-H375 HydrophobicContact CG-CB 4.12Å; F315-H375 HydrophobicContact CZ-CB 3.35Å; F315-H375 AromaticContact CZ-CG 3.78Å; F315-H375 PolarHBondContact N-O 3.13Å; F315-H375 PolarHBondContact O-N 3.37Å; H375-R377 PolarHBondContact O-N 2.83Å |
| 376 | N | 93.5 | Very high | 96.4 | Very high | 92 Ų | 92 | 24.3 Ų | 24.3 | 49% | 0.492 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 58.5 | -64.3 | -175.2 | -72.1 | -31.1 | 0 | 0 | 0 | 115.8 | Y283 V313 Q314 | Y283-N376 VanDerWaalsContact CE1-O 3.29Å; Y283-N376 WeakPolarHBondContact CE1-O 3.13Å; V313-N376 PolarHBondContact O-ND2 2.88Å; Q314-N376 HydrophobicContact CG-CB 3.93Å |
| 377 | R | 93.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 26.3 Ų | 26.3 | 16% | 0.162 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -136.7 | 152.9 | 174.4 | -52.4 | -160.4 | 159.5 | -110.4 | -0.8 | 111 | V279 Y283 Q314 H375 A379 | V279-R377 HydrophobicContact CG1-CB 3.98Å; Y283-R377 HydrophobicContact CE1-CB 4.05Å; Y283-R377 HydrophobicContact CE1-CG 3.79Å; Y283-R377 PolarHBondContact OH-NE 2.85Å; Y283-R377 PolarHBondContact OH-NH1 3.35Å; Y283-R377 PolarHBondContact OH-NH2 2.99Å; Q314-R377 HydrophobicContact CB-CB 4.26Å; Q314-R377 HydrophobicContact CG-CB 4.1Å; Q314-R377 HydrophobicContact CG-CG 4.13Å; H375-R377 PolarHBondContact O-N 2.83Å; R377-A379 VanDerWaalsContact C-N 3.34Å; R377-A379 PolarHBondContact O-N 2.04Å |
| 378 | I | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | trans | -65.1 | 96.2 | 164.3 | -60.5 | 172.5 | 0 | 0 | 0 | 107.1 | W278 V279 A280 Q287 V316 P371 W374 | W278-I378 HydrophobicContact CH2-CG2 3.87Å; W278-I378 HydrophobicContact CZ3-CG2 3.73Å; V279-I378 VanDerWaalsContact CA-O 3.23Å; V279-I378 WeakPolarHBondContact CA-O 3.39Å; V279-I378 WeakPolarHBondContact CG1-O 3.12Å; A280-I378 HydrophobicContact CB-CB 3.87Å; A280-I378 HydrophobicContact CB-CD1 4.18Å; A280-I378 HydrophobicContact CB-CG2 3.94Å; A280-I378 PolarHBondContact N-O 3.39Å; Q287-I378 HydrophobicContact CB-CD1 4.07Å; Q287-I378 HydrophobicContact CG-CD1 4.15Å; V316-I378 HydrophobicContact CG2-CG2 4.09Å; P371-I378 HydrophobicContact CB-CD1 4.33Å; P371-I378 HydrophobicContact CB-CG1 4.36Å; P371-I378 HydrophobicContact CB-CG2 3.97Å; P371-I378 HydrophobicContact CG-CG2 3.57Å; W374-I378 HydrophobicContact CB-CG1 4.17Å; W374-I378 HydrophobicContact CD2-CD1 3.97Å; W374-I378 HydrophobicContact CD2-CG1 3.33Å; W374-I378 HydrophobicContact CE3-CD1 3.8Å; W374-I378 HydrophobicContact CE3-CG1 3.53Å; W374-I378 HydrophobicContact CG-CG1 3.62Å; W374-I378 HydrophobicContact CH2-CD1 4.04Å; W374-I378 HydrophobicContact CH2-CG1 4.47Å; W374-I378 HydrophobicContact CZ2-CD1 4.2Å; W374-I378 HydrophobicContact CZ2-CG1 4.33Å; W374-I378 HydrophobicContact CZ3-CD1 3.84Å; W374-I378 HydrophobicContact CZ3-CG1 4.1Å | ||
| 379 | A | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.7 | 179 | 0 | 0 | 0 | 0 | 0 | 109.4 | W278 V279 A307 Q314 V316 R377 | W278-A379 WeakPolarHBondContact O-CA 3.33Å; V279-A379 HydrophobicContact CG2-CB 3.78Å; A307-A379 HydrophobicContact CB-CB 4.04Å; Q314-A379 HydrophobicContact CB-CB 3.61Å; V316-A379 PolarHBondContact N-O 2.86Å; R377-A379 VanDerWaalsContact C-N 3.34Å; R377-A379 PolarHBondContact O-N 2.04Å |
| 380 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 133.9 | -173 | -165.9 | 63 | 0 | 0 | 0 | 112.8 | A267 W278 L289 T304 V316 V369 L382 | A267-L380 WeakPolarHBondContact CA-O 3.06Å; W278-L380 HydrophobicContact CE3-CB 4.07Å; W278-L380 PolarHBondContact N-O 2.88Å; W278-L380 VanDerWaalsContact N-O 3.1Å; W278-L380 PolarHBondContact O-N 2.95Å; L289-L380 HydrophobicContact CD2-CD2 4.14Å; T304-L380 HydrophobicContact CG2-CD1 3.92Å; V316-L380 HydrophobicContact CB-CD1 4.44Å; V316-L380 HydrophobicContact CG2-CB 4.4Å; V316-L380 HydrophobicContact CG2-CD1 4.37Å; V369-L380 HydrophobicContact CB-CD2 4.21Å; V369-L380 HydrophobicContact CG1-CD2 3.84Å; V369-L380 HydrophobicContact CG2-CD2 4.44Å; L380-L382 HydrophobicContact CD2-CD2 3.73Å; L380-L382 HydrophobicContact CG-CD2 4.07Å |
| 381 | R | 98 | Very high | 95.3 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.4 | 155.3 | -73.1 | 178 | -78.2 | 178.3 | 7.8 | 107.5 | R268 K271 N276 A277 Q305 G306 N350 | R268-R381 WeakPolarHBondContact O-CB 3.49Å; R268-R381 WeakPolarHBondContact O-CD 3.35Å; R268-R381 VanDerWaalsContact O-CG 3.31Å; R268-R381 WeakPolarHBondContact O-CG 3.27Å; K271-R381 PolarHBondContact O-NH1 2.96Å; N276-R381 PolarHBondContact ND2-NH1 3.23Å; N276-R381 WeakPolarHBondContact O-CD 3.28Å; N276-R381 WeakPolarHBondContact O-CG 3.43Å; A277-R381 HydrophobicContact CB-CG 3.88Å; Q305-R381 HydrophobicContact CB-CB 4.13Å; Q305-R381 VanDerWaalsContact CD-CZ 3.4Å; Q305-R381 VanDerWaalsContact CD-NH2 3.35Å; Q305-R381 PolarHBondContact N-O 2.84Å; Q305-R381 PolarHBondContact O-N 3.02Å; Q305-R381 VanDerWaalsContact OE1-NE 3.16Å; G306-R381 VanDerWaalsContact O-CZ 3.25Å; G306-R381 PolarHBondContact O-NE 2.88Å; G306-R381 PolarHBondContact O-NH2 2.79Å; N350-R381 PolarHBondContact O-NH2 2.94Å |
| 382 | L | 97.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 164.4 | 177.4 | 72 | 120.7 | 0 | 0 | 0 | 113.9 | L236 A267 L269 L289 I302 I303 T304 V369 L380 L384 | L236-L382 HydrophobicContact CD1-CD1 3.4Å; L236-L382 HydrophobicContact CD1-CG 3.79Å; A267-L382 HydrophobicContact CB-CD2 4.4Å; A267-L382 PolarHBondContact O-N 2.86Å; L269-L382 PolarHBondContact N-O 3.35Å; L289-L382 HydrophobicContact CD2-CD2 3.32Å; L289-L382 HydrophobicContact CG-CD2 4.46Å; I302-L382 HydrophobicContact CD1-CB 4.34Å; I302-L382 HydrophobicContact CD1-CD1 3.94Å; I302-L382 HydrophobicContact CG1-CB 4.35Å; I302-L382 HydrophobicContact CG1-CD1 4.21Å; I303-L382 CarbonylContact O-C 3.58Å; I303-L382 WeakPolarHBondContact O-CA 3.41Å; I303-L382 VanDerWaalsContact O-CB 3.24Å; I303-L382 WeakPolarHBondContact O-CB 3.39Å; T304-L382 HydrophobicContact CG2-CB 4.5Å; V369-L382 HydrophobicContact CG2-CD2 4.41Å; L380-L382 HydrophobicContact CD2-CD2 3.73Å; L380-L382 HydrophobicContact CG-CD2 4.07Å; L382-L384 HydrophobicContact CD1-CD2 3.86Å; L382-L384 HydrophobicContact CD1-CG 3.83Å |
| 383 | E | 97.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.7 | 162.4 | -177.7 | 60.3 | -84.9 | 0 | 0 | 107.9 | P233 G235 L236 K237 L269 I302 I303 L385 | P233-E383 HydrophobicContact CB-CG 3.65Å; G235-E383 PolarHBondContact N-OE1 2.69Å; L236-E383 WeakPolarHBondContact CB-OE1 3.36Å; L236-E383 PolarHBondContact N-OE1 2.6Å; L236-E383 PolarHBondContact N-OE2 3.2Å; K237-E383 WeakPolarHBondContact CB-OE2 3.39Å; K237-E383 PolarHBondContact N-OE2 2.61Å; L269-E383 HydrophobicContact CB-CB 3.87Å; L269-E383 HydrophobicContact CD2-CB 3.81Å; L269-E383 HydrophobicContact CG-CB 4.44Å; I302-E383 CarbonylContact C-O 3.6Å; I302-E383 WeakPolarHBondContact CA-O 3.39Å; I303-E383 HydrophobicContact CB-CB 4.41Å; I303-E383 PolarHBondContact N-O 3.34Å; I303-E383 PolarHBondContact O-N 3.49Å; E383-L385 HydrophobicContact CG-CD2 4.34Å |
| 384 | L | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 142.5 | 172.4 | -66 | 174.7 | 0 | 0 | 0 | 108.8 | L234 L236 V291 L293 V299 I302 V367 L382 | L234-L384 HydrophobicContact CB-CB 4.27Å; L234-L384 HydrophobicContact CD1-CB 3.92Å; L234-L384 HydrophobicContact CG-CB 4.42Å; L234-L384 PolarHBondContact N-O 3.28Å; L236-L384 HydrophobicContact CD1-CG 4.18Å; V291-L384 HydrophobicContact CB-CD1 4Å; V291-L384 HydrophobicContact CG1-CD1 4.12Å; V291-L384 HydrophobicContact CG2-CD1 4.19Å; L293-L384 HydrophobicContact CD2-CD1 4.01Å; V299-L384 HydrophobicContact CG1-CB 4.43Å; V299-L384 HydrophobicContact CG1-CD2 4.45Å; I302-L384 HydrophobicContact CB-CD2 4.03Å; I302-L384 HydrophobicContact CD1-CD2 4.09Å; I302-L384 HydrophobicContact CG1-CD2 3.99Å; V367-L384 HydrophobicContact CB-CD1 4.02Å; V367-L384 HydrophobicContact CG1-CD1 4.3Å; V367-L384 HydrophobicContact CG1-CD2 4.18Å; V367-L384 HydrophobicContact CG2-CD1 4.21Å; L382-L384 HydrophobicContact CD1-CD2 3.86Å; L382-L384 HydrophobicContact CD1-CG 3.83Å |
| 385 | L | 93.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.7 | -178.9 | -54.7 | 179.6 | 0 | 0 | 0 | 109 | N232 V299 T300 G301 I303 K355 L357 E383 | N232-L385 WeakPolarHBondContact O-CA 3.21Å; V299-L385 CarbonylContact C-O 3.56Å; V299-L385 WeakPolarHBondContact CA-O 3.44Å; V299-L385 WeakPolarHBondContact CG1-O 3.09Å; T300-L385 PolarHBondContact N-O 2.78Å; T300-L385 PolarHBondContact OG1-O 2.89Å; G301-L385 PolarHBondContact N-O 2.98Å; G301-L385 PolarHBondContact O-N 3.12Å; I303-L385 HydrophobicContact CD1-CD1 4.25Å; I303-L385 HydrophobicContact CD1-CD2 4.03Å; I303-L385 HydrophobicContact CG1-CD1 4Å; I303-L385 HydrophobicContact CG1-CD2 4.32Å; I303-L385 HydrophobicContact CG1-CG 4.33Å; K355-L385 HydrophobicContact CD-CD1 4.21Å; K355-L385 HydrophobicContact CG-CD1 4.11Å; L357-L385 HydrophobicContact CD2-CD1 3.92Å; E383-L385 HydrophobicContact CG-CD2 4.34Å |
| 386 | G | 91.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -163.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C230 N232 L234 E298 | C230-G386 CarbonylContact C-O 3.5Å; C230-G386 CarbonylContact O-C 3.56Å; C230-G386 WeakPolarHBondContact O-CA 3.46Å; C230-G386 PolarHBondContact O-N 2.77Å; C230-G386 VanDerWaalsContact SG-C 3.54Å; N232-G386 PolarHBondContact N-O 2.93Å; N232-G386 PolarHBondContact O-N 2.88Å; L234-G386 VanDerWaalsContact CD2-C 3.49Å; E298-G386 CarbonylContact O-C 3.52Å; E298-G386 WeakPolarHBondContact O-CA 3.45Å |
| 387 | C | 87.3 | Confident | 94.9 | Very high | 72 Ų | 72 | 12.5 Ų | 12.5 | 49% | 0.486 | 7% | 0.069 | S | C | . | . | trans | -155.7 | 0 | 172.8 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | C230 K297 E298 | C230-C387 HydrophobicContact CB-CB 3.97Å; C230-C387 WeakPolarHBondContact CB-SG 3.11Å; C230-C387 VanDerWaalsContact SG-CA 3.57Å; C230-C387 WeakPolarHBondContact SG-CB 3.41Å; C230-C387 PolarHBondContact SG-N 2.97Å; C230-C387 CovalentContact SG-SG 2.04Å; C230-C387 PolarHBondContact SG-SG 2.82Å; K297-C387 WeakPolarHBondContact CA-OXT 3.29Å; K297-C387 WeakPolarHBondContact CD-O 3.36Å; K297-C387 WeakPolarHBondContact CD-OXT 3.32Å; K297-C387 WeakPolarHBondContact CE-O 3.36Å; K297-C387 PolarHBondContact NZ-O 3.14Å; E298-C387 PolarHBondContact N-OXT 3.34Å; E298-C387 PolarHBondContact O-N 3.43Å |
Retrieved 387 of 387 residues in 1136.4 ms
(Link to these results)