| 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 | 58.8 | Low | 56.6 | Low | 220 Ų | 220 | 103.4 Ų | 103.4 | 100% | 1.084 | 61% | 0.605 | S | S | * | * | 0 | -69 | 0 | -63.7 | -57.1 | -88.8 | 0 | 0 | 112.1 | L3 G4 | M1-L3 PolarHBondContact O-N 3.43Å; M1-G4 PolarHBondContact O-N 2.65Å | |||
| 2 | A | 57.2 | Low | 56.5 | Low | 80 Ų | 80 | 105.9 Ų | 105.9 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.6 | -39.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G4 L5 | A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 2.75Å; A2-L5 PolarHBondContact O-N 3.47Å |
| 3 | L | 52 | Low | 56.4 | Low | 131 Ų | 131 | 108.1 Ų | 108.1 | 69% | 0.686 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.3 | -26.9 | -175 | -164.1 | 66.7 | 0 | 0 | 0 | 114.1 | M1 L5 | M1-L3 PolarHBondContact O-N 3.43Å; L3-L5 VanDerWaalsContact C-N 3.35Å |
| 4 | G | 54.2 | Low | 56.1 | Low | 48 Ų | 48 | 112.2 Ų | 112.2 | 50% | 0.495 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 A2 I7 A8 | M1-G4 PolarHBondContact O-N 2.65Å; A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 2.75Å; G4-I7 PolarHBondContact O-N 2.83Å; G4-A8 WeakPolarHBondContact O-CB 3.24Å; G4-A8 PolarHBondContact O-N 3.34Å |
| 5 | L | 56.4 | Low | 55.7 | Low | 120 Ų | 120 | 109.9 Ų | 109.9 | 63% | 0.628 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.7 | -36.3 | 178.8 | -109.8 | 143.5 | 0 | 0 | 0 | 112.2 | A2 L3 I7 A8 V9 | A2-L5 PolarHBondContact O-N 3.47Å; L3-L5 VanDerWaalsContact C-N 3.35Å; L5-I7 PolarHBondContact O-N 3.07Å; L5-A8 PolarHBondContact O-N 3.12Å; L5-V9 WeakPolarHBondContact O-CG2 3.14Å; L5-V9 PolarHBondContact O-N 3.49Å |
| 6 | L | 57.8 | Low | 55.3 | Low | 128 Ų | 128 | 107.8 Ų | 107.8 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.2 | -23.1 | 176.9 | -83.7 | 160.8 | 0 | 0 | 0 | 113.8 | P10 | L6-P10 WeakPolarHBondContact O-CD 3.47Å; L6-P10 WeakPolarHBondContact O-CG 3.46Å |
| 7 | I | 59.9 | Low | 55.3 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 54% | 0.538 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -97.3 | -32.5 | 178.7 | -59.1 | 174.7 | 0 | 0 | 0 | 111.1 | G4 L5 P10 L11 | G4-I7 PolarHBondContact O-N 2.83Å; L5-I7 PolarHBondContact O-N 3.07Å; I7-P10 WeakPolarHBondContact O-CD 3.48Å; I7-L11 HydrophobicContact CG2-CD1 4.1Å |
| 8 | A | 57.1 | Low | 55.2 | Low | 47 Ų | 47 | 110.2 Ų | 110.2 | 39% | 0.388 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.7 | -36.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G4 L5 L11 L12 | G4-A8 WeakPolarHBondContact O-CB 3.24Å; G4-A8 PolarHBondContact O-N 3.34Å; L5-A8 PolarHBondContact O-N 3.12Å; A8-L11 PolarHBondContact O-N 2.98Å; A8-L12 PolarHBondContact O-N 3.45Å; A8-L12 VanDerWaalsContact O-N 3.07Å |
| 9 | V | 59.5 | Low | 54.8 | Low | 78 Ų | 78 | 107.7 Ų | 107.7 | 47% | 0.473 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.7 | -46.4 | -177.9 | 173 | 0 | 0 | 0 | 0 | 112.8 | L5 L11 L12 L13 | L5-V9 WeakPolarHBondContact O-CG2 3.14Å; L5-V9 PolarHBondContact O-N 3.49Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.95Å; V9-L12 PolarHBondContact O-N 2.79Å; V9-L13 HydrophobicContact CG1-CD1 4.27Å; V9-L13 PolarHBondContact O-N 2.71Å |
| 10 | P | 56.3 | Low | 54.2 | Low | 69 Ų | 69 | 107.1 Ų | 107.1 | 45% | 0.448 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -59.5 | -38.1 | 172.3 | -26.1 | 34.9 | 0 | 0 | 0 | 114 | L6 I7 L13 Q14 | L6-P10 WeakPolarHBondContact O-CD 3.47Å; L6-P10 WeakPolarHBondContact O-CG 3.46Å; I7-P10 WeakPolarHBondContact O-CD 3.48Å; P10-L13 PolarHBondContact O-N 2.66Å; P10-Q14 PolarHBondContact O-N 2.7Å |
| 11 | L | 53.4 | Low | 53.6 | Low | 111 Ų | 111 | 105.4 Ų | 105.4 | 58% | 0.581 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.1 | -36.1 | -179.9 | -102.2 | 151.8 | 0 | 0 | 0 | 113 | I7 A8 V9 Q14 A15 | I7-L11 HydrophobicContact CG2-CD1 4.1Å; A8-L11 PolarHBondContact O-N 2.98Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.95Å; L11-Q14 PolarHBondContact O-N 2.77Å; L11-A15 PolarHBondContact O-N 2.79Å |
| 12 | L | 55.2 | Low | 52.6 | Low | 134 Ų | 134 | 102.1 Ų | 102.1 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.6 | -32.7 | 173 | -84.9 | 160.2 | 0 | 0 | 0 | 112.7 | A8 V9 A15 | A8-L12 PolarHBondContact O-N 3.45Å; A8-L12 VanDerWaalsContact O-N 3.07Å; V9-L12 PolarHBondContact O-N 2.79Å; L12-A15 PolarHBondContact O-N 3.2Å |
| 13 | L | 55.5 | Low | 51.8 | Low | 134 Ų | 134 | 107.8 Ų | 107.8 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72 | -25.9 | 175.9 | -82 | 158.3 | 0 | 0 | 0 | 113.5 | V9 P10 | V9-L13 HydrophobicContact CG1-CD1 4.27Å; V9-L13 PolarHBondContact O-N 2.71Å; P10-L13 PolarHBondContact O-N 2.66Å |
| 14 | Q | 52.3 | Low | 51.3 | Low | 166 Ų | 166 | 108.8 Ų | 108.8 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -5.9 | 176.1 | -72.6 | -178.1 | -28 | 0 | 0 | 114 | P10 L11 | P10-Q14 PolarHBondContact O-N 2.7Å; L11-Q14 PolarHBondContact O-N 2.77Å |
| 15 | A | 49.3 | Very low | 50.7 | Low | 77 Ų | 77 | 114.8 Ų | 114.8 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 7.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L11 L12 | L11-A15 PolarHBondContact O-N 2.79Å; L12-A15 PolarHBondContact O-N 3.2Å |
| 16 | A | 49.2 | Very low | 50.2 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 63% | 0.628 | 68% | 0.677 | S | S | * | * | trans | -76.6 | 125.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | P | 55.6 | Low | 49.9 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 75% | 0.747 | 68% | 0.676 | S | S | * | * | trans | -69.8 | 141.6 | -179.5 | 27.8 | -34 | 0 | 0 | 0 | 111.7 | G19 | P17-G19 PolarHBondContact O-N 2.97Š| ||
| 18 | P | 53.7 | Low | 49.5 | Very low | 144 Ų | 144 | 115.9 Ų | 115.9 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -78.7 | 87.6 | 178.8 | 32.1 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 19 | G | 48.7 | Very low | 49.1 | Very low | 64 Ų | 64 | 120.1 Ų | 120.1 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | trans | -167.4 | 123.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P17 | P17-G19 PolarHBondContact O-N 2.97Š| ||
| 20 | A | 42 | Very low | 49.1 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | trans | 57.9 | 69.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | H22 | A20-H22 PolarHBondContact O-N 2.75Š| ||
| 21 | A | 41.3 | Very low | 49 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | trans | -69.2 | 87.7 | 143.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y23 | A21-Y23 HydrophobicContact CB-CE2 3.97Å; A21-Y23 WeakPolarHBondContact O-CD2 3.31Å; A21-Y23 WeakPolarHBondContact O-CE2 3.26Å | ||
| 22 | H | 37.3 | Very low | 49 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -90.8 | 104.4 | -179.8 | -161.1 | -92.3 | 0 | 0 | 0 | 109.6 | A20 E24 | A20-H22 PolarHBondContact O-N 2.75Å; H22-E24 PolarHBondContact O-N 2.84Å | ||
| 23 | Y | 41.5 | Very low | 48.6 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | -87.5 | 97.1 | 177.8 | -48.3 | -86.5 | 0 | 0 | 0 | 109.3 | A21 M25 | A21-Y23 HydrophobicContact CB-CE2 3.97Å; A21-Y23 WeakPolarHBondContact O-CD2 3.31Å; A21-Y23 WeakPolarHBondContact O-CE2 3.26Å; Y23-M25 PolarHBondContact O-N 3.28Å | ||
| 24 | E | 41.4 | Very low | 48.3 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 106.1 | 171.8 | -76.7 | -166.9 | 138.9 | 0 | 0 | 111 | H22 M26 | H22-E24 PolarHBondContact O-N 2.84Å; E24-M26 PolarHBondContact O-N 2.76Å | ||
| 25 | M | 41.5 | Very low | 47.9 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -70.2 | 94.6 | 164.1 | -68.1 | -69.9 | -75.2 | 0 | 0 | 108.8 | Y23 G27 | Y23-M25 PolarHBondContact O-N 3.28Å; M25-G27 PolarHBondContact O-N 2.64Å | ||
| 26 | M | 45.6 | Very low | 47.7 | Very low | 186 Ų | 186 | 136 Ų | 136 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | -70.5 | 70.6 | 174.9 | -82.7 | -98.4 | -83.8 | 0 | 0 | 111.7 | E24 | E24-M26 PolarHBondContact O-N 2.76Š| ||
| 27 | G | 51.3 | Low | 47.6 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -173.7 | 120.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M25 C29 | M25-G27 PolarHBondContact O-N 2.64Å; G27-C29 PolarHBondContact O-N 3.43Å | ||
| 28 | T | 52.5 | Low | 46.9 | Very low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -79.7 | 108.7 | 166.7 | 44.3 | 0 | 0 | 0 | 0 | 109 | R30 | T28-R30 PolarHBondContact O-N 3.34Š| ||
| 29 | C | 48.6 | Very low | 46.4 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | trans | -67.3 | 115.5 | 173.7 | -157.6 | 0 | 0 | 0 | 0 | 108.8 | G27 | G27-C29 PolarHBondContact O-N 3.43Š| ||
| 30 | R | 57.9 | Low | 46.2 | Very low | 209 Ų | 209 | 138.1 Ų | 138.1 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | trans | -108 | 132.9 | 175.4 | -74.5 | -169.1 | 174.4 | -159.4 | -3 | 110.2 | T28 | T28-R30 PolarHBondContact O-N 3.34Š| ||
| 31 | M | 54.1 | Low | 46 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -70.1 | 139.6 | 170.4 | -66.2 | -77.3 | -83.8 | 0 | 0 | 109.2 | C33 | M31-C33 PolarHBondContact O-N 3.38Š| ||
| 32 | I | 55.4 | Low | 45.6 | Very low | 176 Ų | 176 | 138 Ų | 138 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -13.7 | -178.8 | -75.1 | 171.4 | 0 | 0 | 0 | 112.9 | ||
| 33 | C | 46.8 | Very low | 45.6 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 1.5 | -168.9 | -56.7 | 0 | 0 | 0 | 0 | 115.7 | M31 P35 | M31-C33 PolarHBondContact O-N 3.38Å; C33-P35 WeakPolarHBondContact O-CD 3.45Å |
| 34 | D | 48.6 | Very low | 45.8 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 121.7 | 179 | -77.7 | -18.2 | 0 | 0 | 0 | 111.2 | ||||
| 35 | P | 44.5 | Very low | 46 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 136.5 | -178.6 | 27.9 | -34 | 0 | 0 | 0 | 111.5 | C33 T37 | C33-P35 WeakPolarHBondContact O-CD 3.45Å; P35-T37 PolarHBondContact O-N 2.84Å | ||
| 36 | Y | 44.2 | Very low | 46.1 | Very low | 226 Ų | 226 | 125 Ų | 125 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | -69.1 | 92.3 | -176.5 | -163.8 | -87.6 | 0 | 0 | 0 | 111.7 | A38 | Y36-A38 PolarHBondContact O-N 2.89Š| ||
| 37 | T | 46.7 | Very low | 45.8 | Very low | 128 Ų | 128 | 121 Ų | 121 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -75.8 | 106.7 | 173.1 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | P35 A39 | P35-T37 PolarHBondContact O-N 2.84Å; T37-A39 PolarHBondContact O-N 3.38Å | ||
| 38 | A | 42.2 | Very low | 45.6 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 132.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y36 | Y36-A38 PolarHBondContact O-N 2.89Š|
| 39 | A | 41.8 | Very low | 44.9 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 147.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T37 | T37-A39 PolarHBondContact O-N 3.38Š|
| 40 | P | 44.4 | Very low | 44.5 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -81.5 | 131 | -176.6 | 31.3 | -33.9 | 0 | 0 | 0 | 113 | ||
| 41 | G | 37.9 | Very low | 43.7 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 124 | 120.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 42 | G | 33.8 | Very low | 43.3 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 163.5 | -50.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 43 | G | 36.2 | Very low | 42.8 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 56.7 | -175.2 | 179 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 44 | P | 45.9 | Very low | 42.8 | Very low | 135 Ų | 135 | 120 Ų | 120 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | cis | -98.7 | 170.2 | -24.9 | 38.4 | -29.6 | 0 | 0 | 0 | 112.3 | ||||
| 45 | A | 45.3 | Very low | 42.5 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -85.9 | 153.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 46 | G | 44.9 | Very low | 42.4 | Very low | 81 Ų | 81 | 120.5 Ų | 120.5 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 158.3 | 73.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 47 | A | 39.3 | Very low | 42.4 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -168.5 | 128.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 48 | K | 45.7 | Very low | 42.3 | Very low | 218 Ų | 218 | 112.7 Ų | 112.7 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | trans | -85.3 | 136.4 | 161 | -73.4 | -179.6 | 175.1 | -179.4 | 0 | 108.3 | ||||
| 49 | A | 38.5 | Very low | 42.5 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -131.6 | 124.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 50 | Q | 39.9 | Very low | 42.9 | Very low | 182 Ų | 182 | 121 Ų | 121 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 141.8 | 177.7 | -168.1 | 97.7 | -7.9 | 0 | 0 | 109.4 | ||
| 51 | P | 42.2 | Very low | 42.9 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 75% | 0.747 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 136.8 | 171.7 | 31.2 | -33.8 | 0 | 0 | 0 | 111.5 | ||
| 52 | P | 44.9 | Very low | 43.5 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -85 | 136.4 | 166 | 32.5 | -30.6 | 0 | 0 | 0 | 111.2 | ||
| 53 | G | 45.8 | Very low | 44.2 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 173.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 54 | P | 45.8 | Very low | 44.2 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 145.6 | -174.5 | 33.2 | -34.8 | 0 | 0 | 0 | 112.6 | ||
| 55 | S | 42.7 | Very low | 44.2 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 84% | 0.837 | S | S | * | * | trans | -116.1 | 115.4 | 166.7 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 56 | T | 42.4 | Very low | 44 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | 11.7 | 113.6 | 141.7 | 51.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 57 | A | 43.4 | Very low | 43.7 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | trans | -60.2 | 165.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 58 | A | 44.8 | Very low | 44 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 84% | 0.835 | S | S | * | * | 150.7 | -12.2 | 109.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 59 | L | 47.5 | Very low | 44.5 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -129.4 | 147.7 | -173.5 | -82.3 | 151.4 | 0 | 0 | 0 | 111.7 | ||||
| 60 | E | 49.1 | Very low | 44.7 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 68.6 | 85.5 | 178.6 | -53 | -177.5 | 155.3 | 0 | 0 | 115.5 | ||
| 61 | V | 44.3 | Very low | 45.2 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -178.2 | 86.1 | 114.1 | 175 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 62 | M | 51.3 | Low | 45.8 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | -144.6 | 77.6 | 164.5 | -83 | -162.4 | -178.2 | 0 | 0 | 110.2 | ||||
| 63 | Q | 49 | Very low | 45.7 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -166.7 | 136.6 | 164.5 | -97.3 | 154.6 | 13.6 | 0 | 0 | 102.9 | ||||
| 64 | D | 35.1 | Very low | 46.3 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | cis | -155.2 | 168.8 | 30.6 | -155.4 | -9.1 | 0 | 0 | 0 | 111.7 | ||||
| 65 | L | 46.7 | Very low | 47 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -107.5 | 121.4 | -177.5 | -89.1 | 118.8 | 0 | 0 | 0 | 113.9 | ||||
| 66 | S | 41.6 | Very low | 48.3 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | 179.6 | 148.6 | 151.1 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 67 | A | 38.8 | Very low | 49.7 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -148.8 | 170.6 | 7.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 68 | N | 43.8 | Very low | 51.3 | Low | 160 Ų | 160 | 145.6 Ų | 145.6 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -110.6 | 174 | 169.6 | -102.1 | -34.8 | 0 | 0 | 0 | 109.6 | ||||
| 69 | P | 57.6 | Low | 52.7 | Low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | -122.5 | -145.5 | 9.9 | 41.7 | -22 | 0 | 0 | 0 | 110.4 | ||||
| 70 | P | 41.7 | Very low | 54.3 | Low | 115 Ų | 115 | 143.5 Ų | 143.5 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | cis | -133.3 | -179.6 | -7.4 | 42.5 | -23.8 | 0 | 0 | 0 | 117.1 | ||||
| 71 | P | 51.2 | Low | 55.9 | Low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -114.9 | -179.1 | -177.2 | 42.6 | -33 | 0 | 0 | 0 | 114.4 | ||||
| 72 | P | 55 | Low | 57.6 | Low | 103 Ų | 103 | 137.5 Ų | 137.5 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | cis | -129.5 | 154.6 | -41.2 | 35.2 | -20.7 | 0 | 0 | 0 | 113 | ||||
| 73 | F | 43.1 | Very low | 59.2 | Low | 218 Ų | 218 | 139.9 Ų | 139.9 | 96% | 0.956 | 80% | 0.803 | S | S | * | * | trans | -119.7 | 122.1 | 154.3 | -80.7 | -78 | 0 | 0 | 0 | 109.1 | Q75 | F73-Q75 PolarHBondContact O-N 3.1Å; F73-Q75 VanDerWaalsContact O-N 3.13Å | ||
| 74 | I | 57.8 | Low | 61 | Low | 168 Ų | 168 | 137.2 Ų | 137.2 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | -80.9 | 95.3 | 179.8 | -58.5 | 177.4 | 0 | 0 | 0 | 108.5 | ||||
| 75 | Q | 61 | Low | 63.2 | Low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 119.8 | 159.1 | -169.5 | 168.1 | 9.8 | 0 | 0 | 107.7 | F73 | F73-Q75 PolarHBondContact O-N 3.1Å; F73-Q75 VanDerWaalsContact O-N 3.13Å |
| 76 | G | 69.1 | Low | 65.2 | Low | 53 Ų | 53 | 135.1 Ų | 135.1 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 150 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | K78 | G76-K78 PolarHBondContact O-N 3.32Š|
| 77 | P | 72.1 | Confident | 67.4 | Low | 132 Ų | 132 | 135.2 Ų | 135.2 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 134 | -178.3 | 24.3 | -33.7 | 0 | 0 | 0 | 110.5 | G79 | P77-G79 PolarHBondContact O-N 2.85Š|
| 78 | K | 76.6 | Confident | 69.7 | Low | 199 Ų | 199 | 133.5 Ų | 133.5 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 123.4 | 170.6 | 179.7 | -178.8 | 177.8 | -177.9 | 0 | 107.8 | G76 | G76-K78 PolarHBondContact O-N 3.32Š|
| 79 | G | 74.4 | Confident | 71.9 | Confident | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 142.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P77 | P77-G79 PolarHBondContact O-N 2.85Š|
| 80 | D | 81.3 | Confident | 73.3 | Confident | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 146.8 | -174.4 | -65.7 | -48 | 0 | 0 | 0 | 112.3 | G82 | D80-G82 PolarHBondContact O-N 3.31Š|
| 81 | P | 83.6 | Confident | 75.5 | Confident | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 134.7 | 172.1 | -25.2 | 34.6 | 0 | 0 | 0 | 111.7 | R83 | P81-R83 PolarHBondContact O-N 3.24Š|
| 82 | G | 78.9 | Confident | 77.3 | Confident | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55 | 139.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D80 | D80-G82 PolarHBondContact O-N 3.31Š|
| 83 | R | 84.7 | Confident | 78.9 | Confident | 240 Ų | 240 | 136.6 Ų | 136.6 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 139.6 | -179 | -65.2 | -175.3 | -178.6 | -169.5 | 0.4 | 110.4 | P81 | P81-R83 PolarHBondContact O-N 3.24Š|
| 84 | P | 86.3 | Confident | 81 | Confident | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 144.9 | 174.3 | -27.8 | 35.2 | 0 | 0 | 0 | 112.3 | ||
| 85 | G | 83 | Confident | 82.5 | Confident | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 147.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 86 | K | 87.5 | Confident | 83.8 | Confident | 204 Ų | 204 | 127.8 Ų | 127.8 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 141.6 | 175.1 | -64.2 | -175 | -179.2 | -177.5 | 0 | 109.6 | ||
| 87 | P | 88.8 | Confident | 84.5 | Confident | 126 Ų | 126 | 128.3 Ų | 128.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 144.8 | 171.3 | -26.7 | 35.2 | 0 | 0 | 0 | 111.7 | ||
| 88 | G | 86.3 | Confident | 85.4 | Confident | 63 Ų | 63 | 127.9 Ų | 127.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 157.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 89 | P | 90.6 | Very high | 86.1 | Confident | 133 Ų | 133 | 124.6 Ų | 124.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145.1 | 175.4 | 27.6 | -34.6 | 0 | 0 | 0 | 110.7 | G91 | P89-G91 PolarHBondContact O-N 3.09Š|
| 90 | R | 87.3 | Confident | 86.6 | Confident | 241 Ų | 241 | 124.7 Ų | 124.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 135.9 | 171.5 | -176 | -179.5 | 173.6 | 176.9 | -1.2 | 109.1 | ||
| 91 | G | 86.4 | Confident | 87 | Confident | 49 Ų | 49 | 123.6 Ų | 123.6 | 51% | 0.505 | 79% | 0.786 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 159.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P89 | P89-G91 PolarHBondContact O-N 3.09Š|
| 92 | P | 90.7 | Very high | 87.2 | Confident | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 152.2 | 178.6 | 26.8 | -34.8 | 0 | 0 | 0 | 111.3 | ||
| 93 | P | 88.6 | Confident | 87.5 | Confident | 124 Ų | 124 | 128.3 Ų | 128.3 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 145.4 | 167.9 | -23 | 34.1 | 0 | 0 | 0 | 111.2 | ||
| 94 | G | 85.4 | Confident | 87.6 | Confident | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 156.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 95 | E | 89.5 | Confident | 87.7 | Confident | 189 Ų | 189 | 122.6 Ų | 122.6 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63 | 144.9 | 176.6 | -62.7 | -174.3 | 155.6 | 0 | 0 | 111.2 | ||
| 96 | P | 89.2 | Confident | 87.7 | Confident | 124 Ų | 124 | 122.8 Ų | 122.8 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 140.5 | 173.8 | -25 | 34.8 | 0 | 0 | 0 | 112.1 | ||
| 97 | G | 84.4 | Confident | 87.6 | Confident | 63 Ų | 63 | 122.5 Ų | 122.5 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 154.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 98 | P | 90.6 | Very high | 87.3 | Confident | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.3 | 176.7 | 27.2 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 99 | P | 90.3 | Very high | 86.9 | Confident | 131 Ų | 131 | 126.5 Ų | 126.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 141.3 | 175.9 | -26.6 | 35 | 0 | 0 | 0 | 112.6 | ||
| 100 | G | 85.1 | Confident | 86.2 | Confident | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 154.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 101 | P | 90.1 | Very high | 85.8 | Confident | 131 Ų | 131 | 122.2 Ų | 122.2 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.4 | 176.4 | 27.7 | -34.8 | 0 | 0 | 0 | 111.1 | G103 | P101-G103 PolarHBondContact O-N 3.38Š|
| 102 | R | 88.8 | Confident | 84.6 | Confident | 244 Ų | 244 | 123.6 Ų | 123.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 130.8 | 175.1 | -178.5 | 179.6 | 173.6 | 175 | 0.3 | 110 | ||
| 103 | G | 83.7 | Confident | 83.2 | Confident | 50 Ų | 50 | 129.2 Ų | 129.2 | 52% | 0.515 | 80% | 0.802 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 156.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P101 | P101-G103 PolarHBondContact O-N 3.38Š|
| 104 | P | 87.6 | Confident | 82.3 | Confident | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 153.8 | 179.9 | 27.3 | -35 | 0 | 0 | 0 | 111.8 | ||
| 105 | P | 88.3 | Confident | 80.3 | Confident | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57 | 140.2 | 169.7 | -21.8 | 33.6 | 0 | 0 | 0 | 111.2 | ||
| 106 | G | 81.8 | Confident | 78.4 | Confident | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 150.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 107 | E | 85.8 | Confident | 76.4 | Confident | 199 Ų | 199 | 128.3 Ų | 128.3 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67 | 149.8 | 177.9 | -62.3 | -171.4 | 135.8 | 0 | 0 | 111.6 | ||
| 108 | K | 83.4 | Confident | 74.1 | Confident | 202 Ų | 202 | 128.9 Ų | 128.9 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 126.3 | 179.6 | -169.5 | -179.8 | -173.2 | -178.7 | 0 | 109.1 | ||
| 109 | G | 76.6 | Confident | 71.8 | Confident | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 145.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 110 | D | 77.1 | Confident | 69.3 | Low | 166 Ų | 166 | 133.4 Ų | 133.4 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 148.2 | -177.4 | -73.3 | -44.3 | 0 | 0 | 0 | 113.5 | ||
| 111 | S | 77.9 | Confident | 66.9 | Low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136 | 172.1 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 112 | G | 61.6 | Low | 64.2 | Low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58 | 142 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 113 | R | 62.4 | Low | 61.6 | Low | 242 Ų | 242 | 131.9 Ų | 131.9 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67 | 141.5 | 179.7 | -70.8 | -175.7 | 176.9 | -174.5 | -0.6 | 111.4 | ||
| 114 | P | 68.4 | Low | 59 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 147.7 | 170.8 | -24.1 | 34.3 | 0 | 0 | 0 | 112.7 | ||
| 115 | G | 43.7 | Very low | 56.4 | Low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 147.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 116 | L | 49.9 | Very low | 53.8 | Low | 171 Ų | 171 | 133.4 Ų | 133.4 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.9 | 178.1 | -77 | 157.9 | 0 | 0 | 0 | 111.4 | ||
| 117 | P | 47 | Very low | 51.4 | Low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 141.2 | 174.8 | -23.4 | 34.2 | 0 | 0 | 0 | 112.9 | ||
| 118 | G | 36.8 | Very low | 48.8 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 134.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q120 | G118-Q120 PolarHBondContact O-N 3.4Š|
| 119 | L | 42.2 | Very low | 46.5 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.6 | 176.6 | -131.4 | 79.7 | 0 | 0 | 0 | 110.4 | L121 | L119-L121 PolarHBondContact O-N 3.33Š|
| 120 | Q | 37.4 | Very low | 44.3 | Very low | 191 Ų | 191 | 125.4 Ų | 125.4 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 117.5 | 169.7 | -78.7 | 177.5 | -21.4 | 0 | 0 | 110 | G118 | G118-Q120 PolarHBondContact O-N 3.4Š|
| 121 | L | 34.3 | Very low | 42.3 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 127.8 | 169.2 | -67.4 | 173.2 | 0 | 0 | 0 | 109.5 | L119 | L119-L121 PolarHBondContact O-N 3.33Š|
| 122 | T | 32.7 | Very low | 40.2 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 87% | 0.871 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 135.6 | 179.5 | 41.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 123 | A | 34.1 | Very low | 38.9 | Very low | 109 Ų | 109 | 126 Ų | 126 | 90% | 0.901 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 139.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 124 | G | 30.6 | Very low | 37.6 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | trans | 162.8 | 74.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 125 | T | 32.8 | Very low | 35.9 | Very low | 156 Ų | 156 | 116.1 Ų | 116.1 | 96% | 0.957 | 84% | 0.837 | S | S | * | * | 174.4 | 143.3 | 123.1 | 28.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 126 | A | 33.5 | Very low | 35.7 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -112.1 | 149.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 127 | G | 30.3 | Very low | 34.8 | Very low | 87 Ų | 87 | 113.5 Ų | 113.5 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | trans | 154.9 | 109.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 128 | G | 32.9 | Very low | 34.1 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | 143.9 | 89.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 129 | V | 33.6 | Very low | 34.4 | Very low | 150 Ų | 150 | 113.6 Ų | 113.6 | 91% | 0.909 | 85% | 0.851 | S | S | * | * | trans | -11.8 | 138.6 | 149.7 | -166.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 130 | G | 31.8 | Very low | 34.1 | Very low | 62 Ų | 62 | 109.2 Ų | 109.2 | 64% | 0.639 | 84% | 0.844 | S | S | * | * | cis | 126.4 | 97.5 | 11.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 131 | V | 33.9 | Very low | 34.2 | Very low | 151 Ų | 151 | 107.5 Ų | 107.5 | 92% | 0.915 | 84% | 0.841 | S | S | * | * | trans | -135.4 | 137 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 132 | V | 33.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 105.8 Ų | 105.8 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -125.1 | 137.7 | -165.4 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 133 | G | 34 | Very low | 35.4 | Very low | 81 Ų | 81 | 108 Ų | 108 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | 91.1 | 137.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 134 | G | 34.8 | Very low | 35.7 | Very low | 77 Ų | 77 | 105.2 Ų | 105.2 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | cis | -175.5 | 136.2 | -6.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 135 | G | 34.1 | Very low | 36.7 | Very low | 85 Ų | 85 | 111 Ų | 111 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | 68.7 | 125 | 90.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 136 | A | 38.2 | Very low | 37.5 | Very low | 110 Ų | 110 | 109.4 Ų | 109.4 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | cis | -157 | 173.5 | 0.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 137 | G | 32.1 | Very low | 38.3 | Very low | 79 Ų | 79 | 109.8 Ų | 109.8 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | cis | 178.9 | 168.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 138 | G | 32 | Very low | 39.3 | Very low | 81 Ų | 81 | 109.8 Ų | 109.8 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 165.6 | 127.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 139 | A | 42.3 | Very low | 40.2 | Very low | 114 Ų | 114 | 109.7 Ų | 109.7 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | trans | -85.1 | 151.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 140 | G | 36.3 | Very low | 41 | Very low | 66 Ų | 66 | 109.3 Ų | 109.3 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 160.8 | 90.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 141 | D | 40.3 | Very low | 41.6 | Very low | 156 Ų | 156 | 110.4 Ų | 110.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 28.6 | 96.5 | 151.3 | -50.5 | -33.5 | 0 | 0 | 0 | 118.3 | E143 | D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 3.38Å | ||
| 142 | S | 44.9 | Very low | 42.4 | Very low | 122 Ų | 122 | 106.2 Ų | 106.2 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -74 | 82.4 | 162.4 | 59 | 0 | 0 | 0 | 0 | 110.3 | G144 | S142-G144 PolarHBondContact O-N 3.29Š| ||
| 143 | E | 46.5 | Very low | 43.2 | Very low | 188 Ų | 188 | 104.6 Ų | 104.6 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -63.1 | 98.5 | 164.1 | -70.9 | -160.9 | 128.3 | 0 | 0 | 109 | D141 | D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 3.38Å | ||
| 144 | G | 41.2 | Very low | 44.1 | Very low | 51 Ų | 51 | 109.6 Ų | 109.6 | 53% | 0.526 | 76% | 0.755 | S | S | . | * | trans | -63.6 | 136.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S142 V146 | S142-G144 PolarHBondContact O-N 3.29Å; G144-V146 PolarHBondContact O-N 3.29Å | ||
| 145 | E | 52.2 | Low | 45.8 | Very low | 188 Ų | 188 | 110 Ų | 110 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -57.1 | 71.4 | 170.8 | -167 | 161.6 | 118.6 | 0 | 0 | 113.5 | ||
| 146 | V | 48.9 | Very low | 48.1 | Very low | 121 Ų | 121 | 107.9 Ų | 107.9 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -130.3 | -5.1 | 174.2 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | G144 | G144-V146 PolarHBondContact O-N 3.29Š| ||
| 147 | T | 49.4 | Very low | 50.7 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76.2 | -26.6 | 177.6 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | S151 | T147-S151 WeakPolarHBondContact O-CB 3.43Å; T147-S151 PolarHBondContact O-N 2.84Å |
| 148 | S | 51.9 | Low | 53.7 | Low | 88 Ų | 88 | 108.6 Ų | 108.6 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -63.9 | -51.4 | -175.8 | 179 | 0 | 0 | 0 | 0 | 113.1 | L150 S151 A152 | S148-L150 PolarHBondContact O-N 3Å; S148-S151 PolarHBondContact O-N 3.25Å; S148-A152 PolarHBondContact O-N 3.15Å; S148-A152 VanDerWaalsContact O-N 3.09Å |
| 149 | A | 52.9 | Low | 56.8 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.7 | -34.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T153 | A149-T153 PolarHBondContact O-OG1 2.84Å |
| 150 | L | 49.5 | Very low | 59.5 | Low | 142 Ų | 142 | 101.2 Ų | 101.2 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -82.7 | -25.2 | 179 | -143.4 | 75.5 | 0 | 0 | 0 | 112.6 | S148 | S148-L150 PolarHBondContact O-N 3Å |
| 151 | S | 44.6 | Very low | 62.5 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.1 | -36.6 | 171 | -159.9 | 0 | 0 | 0 | 0 | 111.4 | T147 S148 T153 F154 S155 | T147-S151 WeakPolarHBondContact O-CB 3.43Å; T147-S151 PolarHBondContact O-N 2.84Å; S148-S151 PolarHBondContact O-N 3.25Å; S151-T153 VanDerWaalsContact C-N 3.3Å; S151-T153 PolarHBondContact O-N 2.98Å; S151-F154 PolarHBondContact O-N 3.09Å; S151-S155 PolarHBondContact O-N 3.25Å |
| 152 | A | 50.8 | Low | 65.3 | Low | 64 Ų | 64 | 94.5 Ų | 94.5 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.6 | -33.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S148 F154 S155 | S148-A152 PolarHBondContact O-N 3.15Å; S148-A152 VanDerWaalsContact O-N 3.09Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 2.97Å; A152-S155 WeakPolarHBondContact O-CB 3.35Å; A152-S155 PolarHBondContact O-N 3.45Å; A152-S155 VanDerWaalsContact O-N 3.09Å |
| 153 | T | 50.1 | Low | 67.9 | Low | 107 Ų | 107 | 88.7 Ų | 88.7 | 66% | 0.656 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -18.6 | -175.9 | -38.8 | 0 | 0 | 0 | 0 | 114.2 | A149 S151 | A149-T153 PolarHBondContact O-OG1 2.84Å; S151-T153 VanDerWaalsContact C-N 3.3Å; S151-T153 PolarHBondContact O-N 2.98Å |
| 154 | F | 53.7 | Low | 70.4 | Confident | 187 Ų | 187 | 79.8 Ų | 79.8 | 82% | 0.82 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 10.8 | 171.9 | -78.4 | -84.1 | 0 | 0 | 0 | 112.8 | S151 A152 G156 | S151-F154 PolarHBondContact O-N 3.09Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 2.97Å; F154-G156 PolarHBondContact O-N 2.85Å |
| 155 | S | 70.4 | Confident | 73.1 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | trans | -84.4 | 54.6 | -176.2 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | S151 A152 | S151-S155 PolarHBondContact O-N 3.25Å; A152-S155 WeakPolarHBondContact O-CB 3.35Å; A152-S155 PolarHBondContact O-N 3.45Å; A152-S155 VanDerWaalsContact O-N 3.09Å | ||
| 156 | G | 81.1 | Confident | 75.3 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 42% | 0.423 | 43% | 0.431 | S | S | . | . | trans | -60.6 | 156.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F154 K158 | F154-G156 PolarHBondContact O-N 2.85Å; G156-K158 PolarHBondContact O-N 3.14Å | ||
| 157 | P | 92.9 | Very high | 77.5 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 37% | 0.37 | 42% | 0.421 | S | S | . | . | trans | -57.9 | 125.2 | 178.2 | 22.5 | -32.1 | 0 | 0 | 0 | 110.7 | V199 L283 P286 | P157-V199 HydrophobicContact CB-CG1 4.21Å; P157-V199 HydrophobicContact CB-CG2 4.12Å; P157-V199 HydrophobicContact CG-CG1 3.84Å; P157-L283 HydrophobicContact CB-CD2 4.16Å; P157-L283 HydrophobicContact CG-CD2 3.79Å; P157-P286 HydrophobicContact CG-CB 3.93Å; P157-P286 HydrophobicContact CG-CG 4.06Å | ||
| 158 | K | 95.4 | Very high | 79.8 | Confident | 147 Ų | 147 | 68.1 Ų | 68.1 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | trans | -106.3 | 107.1 | 177.1 | -59.5 | 179.9 | -175.7 | 172.9 | 0 | 108.3 | G156 L184 | G156-K158 PolarHBondContact O-N 3.14Å; K158-L184 HydrophobicContact CB-CD2 3.63Å; K158-L184 HydrophobicContact CB-CG 4.34Å; K158-L184 WeakPolarHBondContact O-CG 3.48Å | ||
| 159 | I | 98.2 | Very high | 82 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.046 | 39% | 0.392 | C | S | . | . | trans | -127.5 | 118.9 | -177.1 | -57.8 | 171.4 | 0 | 0 | 0 | 108.2 | H187 F195 V199 Y203 F282 L283 | I159-H187 WeakPolarHBondContact CD1-NE2 3.35Å; I159-H187 WeakPolarHBondContact CG1-NE2 3.15Å; I159-H187 HydrophobicContact CG2-CB 4.19Å; I159-F195 HydrophobicContact CG2-CE2 3.75Å; I159-F195 HydrophobicContact CG2-CZ 3.96Å; I159-V199 HydrophobicContact CD1-CB 3.84Å; I159-V199 HydrophobicContact CD1-CG2 3.84Å; I159-Y203 HydrophobicContact CB-CE1 4.44Å; I159-Y203 HydrophobicContact CD1-CE1 4.46Å; I159-Y203 WeakPolarHBondContact CD1-OH 3.3Å; I159-Y203 HydrophobicContact CG2-CE1 4.11Å; I159-F282 VanDerWaalsContact O-CA 3.24Å; I159-F282 WeakPolarHBondContact O-CA 3.37Å; I159-F282 WeakPolarHBondContact O-CB 3.13Å; I159-L283 HydrophobicContact CB-CB 4.06Å; I159-L283 HydrophobicContact CD1-CD2 4.43Å; I159-L283 PolarHBondContact O-N 3.47Å | ||
| 160 | A | 98.7 | Very high | 84.1 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 26% | 0.256 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 136.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | N183 L184 G281 F282 | A160-N183 CarbonylContact O-C 3.57Å; A160-L184 PolarHBondContact N-O 2.83Å; A160-L184 PolarHBondContact O-N 2.82Å; A160-G281 CarbonylContact C-O 3.56Å; A160-G281 WeakPolarHBondContact CA-O 3.42Å; A160-F282 HydrophobicContact CB-CB 3.81Å |
| 161 | F | 98.9 | Very high | 86.4 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.1 | 172.8 | 74.9 | -79.5 | 0 | 0 | 0 | 112 | V163 T182 Y188 F195 F205 F279 S280 G281 | F161-V163 HydrophobicContact CD2-CG1 4.27Å; F161-V163 HydrophobicContact CD2-CG2 4.16Å; F161-V163 HydrophobicContact CE2-CG2 4.28Å; F161-T182 CarbonylContact C-O 3.54Å; F161-T182 WeakPolarHBondContact CA-O 3.34Å; F161-T182 WeakPolarHBondContact CB-O 3.27Å; F161-Y188 AromaticContact CD2-CD2 3.72Å; F161-Y188 HydrophobicContact CD2-CD2 3.72Å; F161-Y188 AromaticContact CD2-CG 3.84Å; F161-Y188 HydrophobicContact CD2-CG 3.84Å; F161-Y188 AromaticContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CE2 4.19Å; F161-Y188 HydrophobicContact CE2-CG 4.26Å; F161-Y188 HydrophobicContact CG-CD2 4.4Å; F161-Y188 HydrophobicContact CG-CG 4.31Å; F161-Y188 HydrophobicContact CZ-CD2 4.29Å; F161-F195 AromaticContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CE2 4.03Å; F161-F195 HydrophobicContact CD1-CG 4.46Å; F161-F195 HydrophobicContact CE1-CB 4.05Å; F161-F195 AromaticContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CD2 3.4Å; F161-F195 VanDerWaalsContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CE2 4.1Å; F161-F195 AromaticContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CZ-CB 4.17Å; F161-F195 HydrophobicContact CZ-CD2 4.33Å; F161-F205 HydrophobicContact CE1-CD1 4.09Å; F161-F205 AromaticContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CZ-CD1 4.04Å; F161-F205 HydrophobicContact CZ-CE1 4.09Å; F161-F279 AromaticContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD2 4.44Å; F161-F279 AromaticContact CE2-CE1 3.78Å; F161-F279 HydrophobicContact CE2-CE1 3.78Å; F161-F279 AromaticContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CZ 4.24Å; F161-F279 AromaticContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD2 4.42Å; F161-F279 AromaticContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE2 4.12Å; F161-F279 HydrophobicContact CZ-CG 4.35Å; F161-F279 AromaticContact CZ-CZ 3.74Å; F161-F279 HydrophobicContact CZ-CZ 3.74Å; F161-S280 VanDerWaalsContact O-CA 3.26Å; F161-S280 WeakPolarHBondContact O-CA 3.37Å; F161-S280 WeakPolarHBondContact O-CB 3.49Å; F161-G281 VanDerWaalsContact CD1-O 3.28Å; F161-G281 WeakPolarHBondContact CD1-O 3.39Å; F161-G281 VanDerWaalsContact CE1-N 3.28Å; F161-G281 PolarHBondContact N-O 2.88Å; F161-G281 PolarHBondContact O-N 3.08Å |
| 162 | Y | 98.9 | Very high | 88.9 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 124.7 | 169.2 | 169.1 | -115.8 | 0 | 0 | 0 | 108.1 | V181 T182 T278 | Y162-V181 HydrophobicContact CD1-CB 3.68Å; Y162-V181 HydrophobicContact CD1-CG1 3.86Å; Y162-V181 HydrophobicContact CD1-CG2 4.07Å; Y162-V181 HydrophobicContact CE1-CB 4.13Å; Y162-V181 HydrophobicContact CE1-CG1 4.24Å; Y162-V181 HydrophobicContact CE1-CG2 4.03Å; Y162-V181 PolarHBondContact O-N 2.74Å; Y162-V181 VanDerWaalsContact O-N 3.09Å; Y162-T182 PolarHBondContact N-O 3.1Å; Y162-T182 PolarHBondContact O-N 2.87Å; Y162-T278 HydrophobicContact CE2-CG2 3.8Å |
| 163 | V | 98.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140.1 | -172.6 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | F161 F177 D179 V180 Y188 T278 F279 | F161-V163 HydrophobicContact CD2-CG1 4.27Å; F161-V163 HydrophobicContact CD2-CG2 4.16Å; F161-V163 HydrophobicContact CE2-CG2 4.28Å; V163-F177 HydrophobicContact CB-CB 3.72Å; V163-F177 HydrophobicContact CG2-CB 3.35Å; V163-F177 HydrophobicContact CG2-CD1 4.41Å; V163-F177 HydrophobicContact CG2-CD2 4.29Å; V163-F177 HydrophobicContact CG2-CG 3.81Å; V163-D179 WeakPolarHBondContact CA-O 3.47Å; V163-V180 HydrophobicContact CG1-CB 4.31Å; V163-V180 HydrophobicContact CG1-CG1 4.25Å; V163-V180 HydrophobicContact CG1-CG2 4.01Å; V163-Y188 HydrophobicContact CB-CE1 4.22Å; V163-Y188 HydrophobicContact CG1-CD1 3.6Å; V163-Y188 HydrophobicContact CG1-CE1 3.73Å; V163-Y188 HydrophobicContact CG1-CG 4.21Å; V163-Y188 HydrophobicContact CG2-CD1 4.43Å; V163-Y188 HydrophobicContact CG2-CE1 3.98Å; V163-Y188 HydrophobicContact CG2-CE2 4.24Å; V163-T278 VanDerWaalsContact O-CA 3.31Å; V163-T278 WeakPolarHBondContact O-CA 3.44Å; V163-F279 HydrophobicContact CG2-CB 4.02Å; V163-F279 VanDerWaalsContact CG2-O 3.29Å; V163-F279 WeakPolarHBondContact CG2-O 3.32Å; V163-F279 PolarHBondContact N-O 3.3Å; V163-F279 PolarHBondContact O-N 3.41Å |
| 164 | G | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | F177 D178 D179 N274 S277 | G164-F177 CarbonylContact O-C 3.52Å; G164-F177 WeakPolarHBondContact O-CA 2.79Å; G164-F177 WeakPolarHBondContact O-CB 3.44Å; G164-D178 PolarHBondContact O-N 2.97Å; G164-D179 PolarHBondContact N-O 3.27Å; G164-D179 WeakPolarHBondContact O-CB 3.39Å; G164-D179 PolarHBondContact O-N 3.49Å; G164-N274 CarbonylContact C-O 3.55Å; G164-N274 VanDerWaalsContact CA-O 3.28Å; G164-N274 WeakPolarHBondContact CA-O 3.43Å; G164-S277 WeakPolarHBondContact CA-O 3.41Å |
| 165 | L | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -116.6 | 126.6 | -177.3 | -163.8 | 74.9 | 0 | 0 | 0 | 109.2 | H169 L175 K176 F177 A268 G270 N274 S277 | L165-H169 WeakPolarHBondContact CD1-CE1 3.43Å; L165-L175 HydrophobicContact CD1-CD1 3.9Å; L165-L175 HydrophobicContact CD1-CG 4.36Å; L165-L175 HydrophobicContact CD2-CD1 4.29Å; L165-K176 VanDerWaalsContact CD1-O 3.23Å; L165-K176 WeakPolarHBondContact CD1-O 3.29Å; L165-F177 HydrophobicContact CB-CD1 4.27Å; L165-F177 HydrophobicContact CD1-CD1 4.17Å; L165-F177 HydrophobicContact CD1-CG 4.46Å; L165-A268 HydrophobicContact CD2-CB 3.49Å; L165-A268 VanDerWaalsContact CD2-CB 3.49Å; L165-G270 WeakPolarHBondContact O-CA 3.19Å; L165-N274 PolarHBondContact N-O 3.38Å; L165-N274 VanDerWaalsContact N-O 3.08Å; L165-N274 CarbonylContact O-C 3.48Å; L165-N274 WeakPolarHBondContact O-CA 3.23Å; L165-N274 VanDerWaalsContact O-CB 3.24Å; L165-N274 WeakPolarHBondContact O-CB 3.33Å; L165-S277 PolarHBondContact N-O 2.89Å | ||
| 166 | K | 98.3 | Very high | 96.9 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 39% | 0.391 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -82.8 | -63.6 | 178.7 | -57.4 | -174.9 | -179.7 | 129.3 | 0 | 111.7 | D178 D179 N274 | K166-D178 WeakPolarHBondContact CB-OD1 3.44Å; K166-D178 WeakPolarHBondContact CB-OD2 3.34Å; K166-D178 WeakPolarHBondContact CD-OD2 3.29Å; K166-D178 WeakPolarHBondContact CE-O 3.37Å; K166-D178 WeakPolarHBondContact CG-OD1 3.4Å; K166-D178 WeakPolarHBondContact CG-OD2 3.44Å; K166-D178 PolarHBondContact N-OD1 3.3Å; K166-D178 PolarHBondContact NZ-O 3.09Å; K166-D179 WeakPolarHBondContact CE-OD1 3.38Å; K166-D179 HydrophobicContact CG-CB 3.8Å; K166-N274 HydrophobicContact CG-CB 4.47Å |
| 167 | S | 96.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 53 Ų | 53 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -100.9 | 136.2 | -173.2 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | H169 | S167-H169 PolarHBondContact O-N 2.67Å; S167-H169 PolarHBondContact O-ND1 3.03Å |
| 168 | P | 97.6 | Very high | 98 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | trans | -61.7 | 125.9 | 173.2 | -22.3 | 33.4 | 0 | 0 | 0 | 111.8 | A268 | P168-A268 WeakPolarHBondContact CA-O 3.49Å; P168-A268 WeakPolarHBondContact CB-O 3.49Å | ||
| 169 | H | 98.1 | Very high | 98.1 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -152.8 | 165.6 | 178.8 | 63.3 | -84.8 | 0 | 0 | 0 | 112.5 | L165 S167 K176 K267 A268 | L165-H169 WeakPolarHBondContact CD1-CE1 3.43Å; S167-H169 PolarHBondContact O-N 2.67Å; S167-H169 PolarHBondContact O-ND1 3.03Å; H169-K176 PolarHBondContact CE1-O 2.9Å; H169-K176 PolarHBondContact NE2-N 2.93Å; H169-K176 PolarHBondContact NE2-O 2.77Å; H169-K267 WeakPolarHBondContact O-CB 3.33Å; H169-A268 PolarHBondContact N-O 2.87Å; H169-A268 PolarHBondContact O-N 2.74Å |
| 170 | E | 96.7 | Very high | 98.2 | Very high | 118 Ų | 118 | 49.7 Ų | 49.7 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | trans | -72.6 | 159.7 | 174.3 | -66.1 | 166.1 | -169.3 | 0 | 0 | 111 | Y172 K267 | E170-Y172 HydrophobicContact CB-CD2 3.99Å; E170-Y172 HydrophobicContact CB-CE2 3.75Å; E170-Y172 VanDerWaalsContact CD-CE2 3.44Å; E170-Y172 HydrophobicContact CG-CD2 4.36Å; E170-Y172 HydrophobicContact CG-CE2 3.62Å; E170-Y172 VanDerWaalsContact OE2-CE2 3.26Å; E170-Y172 WeakPolarHBondContact OE2-CE2 3.43Å; E170-K267 HydrophobicContact CG-CB 4.34Å | ||
| 171 | G | 96.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -140 | 28.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E173 K262 L263 | G171-E173 PolarHBondContact O-N 3.37Å; G171-K262 WeakPolarHBondContact O-CA 3.17Å; G171-L263 PolarHBondContact O-N 2.95Å | ||
| 172 | Y | 97.2 | Very high | 98.2 | Very high | 93 Ų | 93 | 54.5 Ų | 54.5 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -65.6 | -19 | -169 | -54 | -45.2 | 0 | 0 | 0 | 115 | E170 K262 L263 | E170-Y172 HydrophobicContact CB-CD2 3.99Å; E170-Y172 HydrophobicContact CB-CE2 3.75Å; E170-Y172 VanDerWaalsContact CD-CE2 3.44Å; E170-Y172 HydrophobicContact CG-CD2 4.36Å; E170-Y172 HydrophobicContact CG-CE2 3.62Å; E170-Y172 VanDerWaalsContact OE2-CE2 3.26Å; E170-Y172 WeakPolarHBondContact OE2-CE2 3.43Å; Y172-K262 WeakPolarHBondContact O-CD 3.34Å; Y172-K262 WeakPolarHBondContact O-CE 3.33Å; Y172-K262 PolarHBondContact O-NZ 3.46Å; Y172-L263 WeakPolarHBondContact CA-O 3.41Å |
| 173 | E | 97.1 | Very high | 98.2 | Very high | 166 Ų | 166 | 52.5 Ų | 52.5 | 78% | 0.776 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -104 | -60.8 | 166.4 | -63.8 | -171.7 | 156.9 | 0 | 0 | 110.3 | G171 | G171-E173 PolarHBondContact O-N 3.37Š|
| 174 | V | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 57 Ų | 57 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | trans | -145.3 | 133.3 | 175 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | T192 K194 Y260 | V174-T192 WeakPolarHBondContact CG1-O 3.45Å; V174-K194 HydrophobicContact CG1-CG 4.43Å; V174-Y260 HydrophobicContact CB-CD2 4.3Å; V174-Y260 HydrophobicContact CG1-CD2 4.01Å; V174-Y260 HydrophobicContact CG1-CG 4.17Å; V174-Y260 HydrophobicContact CG2-CD2 3.76Å; V174-Y260 HydrophobicContact CG2-CE2 3.9Å; V174-Y260 HydrophobicContact CG2-CG 4.25Å | ||
| 175 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -80.7 | 124 | 168.2 | 177.8 | 60.8 | 0 | 0 | 0 | 110.1 | L165 F177 I209 V261 L263 A268 | L165-L175 HydrophobicContact CD1-CD1 3.9Å; L165-L175 HydrophobicContact CD1-CG 4.36Å; L165-L175 HydrophobicContact CD2-CD1 4.29Å; L175-F177 HydrophobicContact CB-CE2 4.26Å; L175-F177 HydrophobicContact CD2-CE1 3.95Å; L175-F177 HydrophobicContact CD2-CE2 3.85Å; L175-F177 HydrophobicContact CD2-CZ 3.39Å; L175-F177 HydrophobicContact CG-CD2 4.41Å; L175-F177 HydrophobicContact CG-CE1 4.47Å; L175-F177 HydrophobicContact CG-CE2 3.87Å; L175-F177 HydrophobicContact CG-CZ 3.91Å; L175-I209 HydrophobicContact CD2-CD1 3.93Å; L175-I209 HydrophobicContact CD2-CG1 4.46Å; L175-I209 HydrophobicContact CD2-CG2 4.11Å; L175-V261 PolarHBondContact N-O 3.33Å; L175-L263 HydrophobicContact CB-CG 4.35Å; L175-L263 HydrophobicContact CD1-CD1 4.21Å; L175-L263 HydrophobicContact CD2-CD1 4.15Å; L175-L263 HydrophobicContact CD2-CD2 4.11Å; L175-L263 HydrophobicContact CD2-CG 4.31Å; L175-A268 HydrophobicContact CD1-CB 3.76Å; L175-A268 HydrophobicContact CD2-CB 3.77Å; L175-A268 HydrophobicContact CG-CB 4.45Å | ||
| 176 | K | 98.8 | Very high | 98 | Very high | 91 Ų | 91 | 65 Ų | 65 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | trans | -102 | 104 | -173.5 | -60.1 | -172.2 | 178 | -168.6 | 0 | 111.5 | L165 H169 D178 T191 | L165-K176 VanDerWaalsContact CD1-O 3.23Å; L165-K176 WeakPolarHBondContact CD1-O 3.29Å; H169-K176 PolarHBondContact CE1-O 2.9Å; H169-K176 PolarHBondContact NE2-N 2.93Å; H169-K176 PolarHBondContact NE2-O 2.77Å; K176-D178 PolarHBondContact O-N 2.83Å; K176-T191 WeakPolarHBondContact CD-O 3.3Å; K176-T191 WeakPolarHBondContact CE-O 3.28Å; K176-T191 PolarHBondContact NZ-O 3.28Å | ||
| 177 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -82 | 108.3 | 176.5 | -58.5 | -96.2 | 0 | 0 | 0 | 109.4 | V163 G164 L165 L175 Y188 P190 I209 V261 F279 | V163-F177 HydrophobicContact CB-CB 3.72Å; V163-F177 HydrophobicContact CG2-CB 3.35Å; V163-F177 HydrophobicContact CG2-CD1 4.41Å; V163-F177 HydrophobicContact CG2-CD2 4.29Å; V163-F177 HydrophobicContact CG2-CG 3.81Å; G164-F177 CarbonylContact O-C 3.52Å; G164-F177 WeakPolarHBondContact O-CA 2.79Å; G164-F177 WeakPolarHBondContact O-CB 3.44Å; L165-F177 HydrophobicContact CB-CD1 4.27Å; L165-F177 HydrophobicContact CD1-CD1 4.17Å; L165-F177 HydrophobicContact CD1-CG 4.46Å; L175-F177 HydrophobicContact CB-CE2 4.26Å; L175-F177 HydrophobicContact CD2-CE1 3.95Å; L175-F177 HydrophobicContact CD2-CE2 3.85Å; L175-F177 HydrophobicContact CD2-CZ 3.39Å; L175-F177 HydrophobicContact CG-CD2 4.41Å; L175-F177 HydrophobicContact CG-CE1 4.47Å; L175-F177 HydrophobicContact CG-CE2 3.87Å; L175-F177 HydrophobicContact CG-CZ 3.91Å; F177-Y188 WeakPolarHBondContact CB-OH 3.49Å; F177-Y188 PolarHBondContact N-OH 2.83Å; F177-Y188 WeakPolarHBondContact O-CE1 3.38Å; F177-P190 WeakPolarHBondContact O-CB 3.24Å; F177-I209 HydrophobicContact CE1-CD1 3.91Å; F177-I209 HydrophobicContact CZ-CD1 3.53Å; F177-V261 HydrophobicContact CE2-CB 4.21Å; F177-V261 HydrophobicContact CE2-CG2 4.27Å; F177-V261 HydrophobicContact CZ-CG2 4.49Å; F177-F279 HydrophobicContact CD1-CB 4.25Å; F177-F279 HydrophobicContact CD2-CB 3.9Å; F177-F279 HydrophobicContact CD2-CD1 4.2Å; F177-F279 HydrophobicContact CE1-CB 3.95Å; F177-F279 HydrophobicContact CE2-CB 3.59Å; F177-F279 HydrophobicContact CE2-CD1 4.07Å; F177-F279 HydrophobicContact CE2-CG 4.15Å; F177-F279 HydrophobicContact CG-CB 4.22Å; F177-F279 HydrophobicContact CZ-CB 3.6Å; F177-F279 HydrophobicContact CZ-CG 4.5Å | ||
| 178 | D | 98.5 | Very high | 98.1 | Very high | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | trans | -102.2 | -1.2 | -170.6 | 66.5 | -37.6 | 0 | 0 | 0 | 113.9 | G164 K166 K176 | G164-D178 PolarHBondContact O-N 2.97Å; K166-D178 WeakPolarHBondContact CB-OD1 3.44Å; K166-D178 WeakPolarHBondContact CB-OD2 3.34Å; K166-D178 WeakPolarHBondContact CD-OD2 3.29Å; K166-D178 WeakPolarHBondContact CE-O 3.37Å; K166-D178 WeakPolarHBondContact CG-OD1 3.4Å; K166-D178 WeakPolarHBondContact CG-OD2 3.44Å; K166-D178 PolarHBondContact N-OD1 3.3Å; K166-D178 PolarHBondContact NZ-O 3.09Å; K176-D178 PolarHBondContact O-N 2.83Å | ||
| 179 | D | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 79.3 | 175.2 | -159.7 | 58.6 | 0 | 0 | 0 | 111.3 | V163 G164 K166 V181 N274 K275 | V163-D179 WeakPolarHBondContact CA-O 3.47Å; G164-D179 PolarHBondContact N-O 3.27Å; G164-D179 WeakPolarHBondContact O-CB 3.39Å; G164-D179 PolarHBondContact O-N 3.49Å; K166-D179 WeakPolarHBondContact CE-OD1 3.38Å; K166-D179 HydrophobicContact CG-CB 3.8Å; D179-V181 PolarHBondContact O-N 2.78Å; D179-N274 HydrophobicContact CB-CB 3.89Å; D179-N274 PolarHBondContact OD1-ND2 3.19Å; D179-N274 VanDerWaalsContact OD1-ND2 3.12Å; D179-N274 WeakPolarHBondContact OD2-CB 3.34Å; D179-K275 IonicContact OD2-NZ 3.54Å; D179-K275 PolarHBondContact OD2-NZ 3.37Å |
| 180 | V | 98.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 56.5 Ų | 56.5 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 117.5 | -177.6 | -176 | 0 | 0 | 0 | 0 | 111.2 | V163 N183 P190 | V163-V180 HydrophobicContact CG1-CB 4.31Å; V163-V180 HydrophobicContact CG1-CG1 4.25Å; V163-V180 HydrophobicContact CG1-CG2 4.01Å; V180-N183 HydrophobicContact CG1-CB 3.76Å; V180-P190 HydrophobicContact CG2-CB 3.96Å; V180-P190 HydrophobicContact CG2-CG 3.94Å |
| 181 | V | 98.8 | Very high | 98.3 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -44.7 | 176.2 | 178 | 0 | 0 | 0 | 0 | 110.8 | Y162 D179 | Y162-V181 HydrophobicContact CD1-CB 3.68Å; Y162-V181 HydrophobicContact CD1-CG1 3.86Å; Y162-V181 HydrophobicContact CD1-CG2 4.07Å; Y162-V181 HydrophobicContact CE1-CB 4.13Å; Y162-V181 HydrophobicContact CE1-CG1 4.24Å; Y162-V181 HydrophobicContact CE1-CG2 4.03Å; Y162-V181 PolarHBondContact O-N 2.74Å; Y162-V181 VanDerWaalsContact O-N 3.09Å; D179-V181 PolarHBondContact O-N 2.78Å |
| 182 | T | 98.8 | Very high | 98.4 | Very high | 62 Ų | 62 | 58 Ų | 58 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.1 | 177 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | F161 Y162 | F161-T182 CarbonylContact C-O 3.54Å; F161-T182 WeakPolarHBondContact CA-O 3.34Å; F161-T182 WeakPolarHBondContact CB-O 3.27Å; Y162-T182 PolarHBondContact N-O 3.1Å; Y162-T182 PolarHBondContact O-N 2.87Å |
| 183 | N | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 57.8 | 173.6 | -164.6 | 9.1 | 0 | 0 | 0 | 111.1 | A160 V180 G185 N186 H187 Y188 | A160-N183 CarbonylContact O-C 3.57Å; V180-N183 HydrophobicContact CG1-CB 3.76Å; N183-G185 PolarHBondContact O-N 2.83Å; N183-N186 PolarHBondContact O-N 2.97Å; N183-N186 PolarHBondContact O-OD1 3.45Å; N183-N186 WeakPolarHBondContact OD1-CA 3.4Å; N183-H187 PolarHBondContact OD1-N 2.81Å; N183-Y188 PolarHBondContact ND2-O 2.88Å; N183-Y188 PolarHBondContact OD1-N 2.84Å; N183-Y188 VanDerWaalsContact OD1-N 3.1Å |
| 184 | L | 98.3 | Very high | 98.5 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 122 | -179.9 | -172.6 | 64.3 | 0 | 0 | 0 | 109.8 | K158 A160 | K158-L184 HydrophobicContact CB-CD2 3.63Å; K158-L184 HydrophobicContact CB-CG 4.34Å; K158-L184 WeakPolarHBondContact O-CG 3.48Å; A160-L184 PolarHBondContact N-O 2.83Å; A160-L184 PolarHBondContact O-N 2.82Å |
| 185 | G | 96.4 | Very high | 98.5 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -5.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N183 H187 | N183-G185 PolarHBondContact O-N 2.83Å; G185-H187 VanDerWaalsContact C-CD2 3.47Å; G185-H187 VanDerWaalsContact C-N 3.28Å; G185-H187 PolarHBondContact O-CD2 3.39Å; G185-H187 VanDerWaalsContact O-CD2 3.24Å; G185-H187 PolarHBondContact O-N 2.82Å |
| 186 | N | 98.1 | Very high | 98.5 | Very high | 127 Ų | 127 | 48.3 Ų | 48.3 | 68% | 0.679 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 55.4 | 36.6 | 178.9 | -57.8 | -57.7 | 0 | 0 | 0 | 114.6 | N183 | N183-N186 PolarHBondContact O-N 2.97Å; N183-N186 PolarHBondContact O-OD1 3.45Å; N183-N186 WeakPolarHBondContact OD1-CA 3.4Å |
| 187 | H | 98.4 | Very high | 98.5 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | trans | -84.1 | -19.5 | 179.2 | -70.5 | -97.3 | 0 | 0 | 0 | 113.7 | I159 N183 G185 F195 S196 | I159-H187 WeakPolarHBondContact CD1-NE2 3.35Å; I159-H187 WeakPolarHBondContact CG1-NE2 3.15Å; I159-H187 HydrophobicContact CG2-CB 4.19Å; N183-H187 PolarHBondContact OD1-N 2.81Å; G185-H187 VanDerWaalsContact C-CD2 3.47Å; G185-H187 VanDerWaalsContact C-N 3.28Å; G185-H187 PolarHBondContact O-CD2 3.39Å; G185-H187 VanDerWaalsContact O-CD2 3.24Å; G185-H187 PolarHBondContact O-N 2.82Å; H187-F195 HydrophobicContact CB-CD2 3.73Å; H187-F195 HydrophobicContact CB-CE2 3.33Å; H187-F195 HydrophobicContact CB-CZ 3.95Å; H187-F195 CarbonylContact O-C 3.58Å; H187-F195 WeakPolarHBondContact O-CA 3.48Å; H187-S196 PolarHBondContact ND1-O 3.35Å; H187-S196 PolarHBondContact O-N 3.34Å | ||
| 188 | Y | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.6 | 171.5 | -173.3 | -93.3 | 0 | 0 | 0 | 110.6 | F161 V163 F177 N183 P190 G193 K194 F195 F279 | F161-Y188 AromaticContact CD2-CD2 3.72Å; F161-Y188 HydrophobicContact CD2-CD2 3.72Å; F161-Y188 AromaticContact CD2-CG 3.84Å; F161-Y188 HydrophobicContact CD2-CG 3.84Å; F161-Y188 AromaticContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CE2 4.19Å; F161-Y188 HydrophobicContact CE2-CG 4.26Å; F161-Y188 HydrophobicContact CG-CD2 4.4Å; F161-Y188 HydrophobicContact CG-CG 4.31Å; F161-Y188 HydrophobicContact CZ-CD2 4.29Å; V163-Y188 HydrophobicContact CB-CE1 4.22Å; V163-Y188 HydrophobicContact CG1-CD1 3.6Å; V163-Y188 HydrophobicContact CG1-CE1 3.73Å; V163-Y188 HydrophobicContact CG1-CG 4.21Å; V163-Y188 HydrophobicContact CG2-CD1 4.43Å; V163-Y188 HydrophobicContact CG2-CE1 3.98Å; V163-Y188 HydrophobicContact CG2-CE2 4.24Å; F177-Y188 WeakPolarHBondContact CB-OH 3.49Å; F177-Y188 PolarHBondContact N-OH 2.83Å; F177-Y188 WeakPolarHBondContact O-CE1 3.38Å; N183-Y188 PolarHBondContact ND2-O 2.88Å; N183-Y188 PolarHBondContact OD1-N 2.84Å; N183-Y188 VanDerWaalsContact OD1-N 3.1Å; Y188-P190 HydrophobicContact CE1-CB 4.16Å; Y188-G193 WeakPolarHBondContact CE2-O 3.43Å; Y188-G193 VanDerWaalsContact OH-C 3.26Å; Y188-G193 VanDerWaalsContact OH-CA 3.27Å; Y188-G193 WeakPolarHBondContact OH-CA 3.39Å; Y188-G193 PolarHBondContact OH-O 3.35Å; Y188-G193 VanDerWaalsContact OH-O 3.09Å; Y188-K194 WeakPolarHBondContact CA-O 3.39Å; Y188-K194 WeakPolarHBondContact CD2-O 3.5Å; Y188-F195 HydrophobicContact CD2-CB 4.34Å; Y188-F279 AromaticContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CE1 4.12Å |
| 189 | D | 98.8 | Very high | 98.4 | Very high | 52 Ų | 52 | 49.2 Ų | 49.2 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 112.7 | 174 | 166.6 | 28.2 | 0 | 0 | 0 | 110.7 | T191 T192 G193 K194 | D189-T191 VanDerWaalsContact CG-OG1 3.25Å; D189-T191 PolarHBondContact O-N 2.68Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 3.29Å; D189-T191 PolarHBondContact OD1-OG1 3.32Å; D189-T191 PolarHBondContact OD2-OG1 3.45Å; D189-T192 WeakPolarHBondContact CB-OG1 3.49Å; D189-T192 VanDerWaalsContact CG-OG1 3.29Å; D189-T192 PolarHBondContact O-N 3.4Å; D189-T192 PolarHBondContact O-OG1 2.84Å; D189-T192 VanDerWaalsContact OD2-CB 3.3Å; D189-T192 WeakPolarHBondContact OD2-CB 3.28Å; D189-T192 WeakPolarHBondContact OD2-CG2 3.37Å; D189-T192 PolarHBondContact OD2-N 3.19Å; D189-T192 PolarHBondContact OD2-OG1 3.12Å; D189-G193 WeakPolarHBondContact O-CA 3.44Å; D189-G193 PolarHBondContact O-N 2.8Å; D189-K194 PolarHBondContact N-O 2.98Å; D189-K194 PolarHBondContact O-N 3.26Å |
| 190 | P | 98.4 | Very high | 98.3 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.1 | 179.4 | 30.3 | -36.1 | 0 | 0 | 0 | 113.6 | F177 V180 Y188 | F177-P190 WeakPolarHBondContact O-CB 3.24Å; V180-P190 HydrophobicContact CG2-CB 3.96Å; V180-P190 HydrophobicContact CG2-CG 3.94Å; Y188-P190 HydrophobicContact CE1-CB 4.16Å |
| 191 | T | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 50.4 Ų | 50.4 | 60% | 0.601 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -31.9 | 179.6 | 74.5 | 0 | 0 | 0 | 0 | 112.4 | K176 D189 | K176-T191 WeakPolarHBondContact CD-O 3.3Å; K176-T191 WeakPolarHBondContact CE-O 3.28Å; K176-T191 PolarHBondContact NZ-O 3.28Å; D189-T191 VanDerWaalsContact CG-OG1 3.25Å; D189-T191 PolarHBondContact O-N 2.68Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 3.29Å; D189-T191 PolarHBondContact OD1-OG1 3.32Å; D189-T191 PolarHBondContact OD2-OG1 3.45Å |
| 192 | T | 98.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 49.2 Ų | 49.2 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -26.9 | 172.2 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | V174 D189 | V174-T192 WeakPolarHBondContact CG1-O 3.45Å; D189-T192 WeakPolarHBondContact CB-OG1 3.49Å; D189-T192 VanDerWaalsContact CG-OG1 3.29Å; D189-T192 PolarHBondContact O-N 3.4Å; D189-T192 PolarHBondContact O-OG1 2.84Å; D189-T192 VanDerWaalsContact OD2-CB 3.3Å; D189-T192 WeakPolarHBondContact OD2-CB 3.28Å; D189-T192 WeakPolarHBondContact OD2-CG2 3.37Å; D189-T192 PolarHBondContact OD2-N 3.19Å; D189-T192 PolarHBondContact OD2-OG1 3.12Å |
| 193 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y188 D189 | Y188-G193 WeakPolarHBondContact CE2-O 3.43Å; Y188-G193 VanDerWaalsContact OH-C 3.26Å; Y188-G193 VanDerWaalsContact OH-CA 3.27Å; Y188-G193 WeakPolarHBondContact OH-CA 3.39Å; Y188-G193 PolarHBondContact OH-O 3.35Å; Y188-G193 VanDerWaalsContact OH-O 3.09Å; D189-G193 WeakPolarHBondContact O-CA 3.44Å; D189-G193 PolarHBondContact O-N 2.8Å |
| 194 | K | 98.9 | Very high | 98.3 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 150 | -166.6 | -53.2 | -174.7 | -175.7 | 178.2 | 0 | 113 | V174 Y188 D189 E258 Y260 | V174-K194 HydrophobicContact CG1-CG 4.43Å; Y188-K194 WeakPolarHBondContact CA-O 3.39Å; Y188-K194 WeakPolarHBondContact CD2-O 3.5Å; D189-K194 PolarHBondContact N-O 2.98Å; D189-K194 PolarHBondContact O-N 3.26Å; K194-E258 HydrophobicContact CD-CB 4.25Å; K194-E258 VanDerWaalsContact CD-CD 3.44Å; K194-E258 HydrophobicContact CD-CG 4.2Å; K194-E258 WeakPolarHBondContact CD-OE1 3.46Å; K194-E258 IonicContact NZ-OE1 2.66Å; K194-E258 PolarHBondContact NZ-OE1 3.14Å; K194-E258 IonicContact NZ-OE2 3.53Å; K194-E258 PolarHBondContact NZ-OE2 3.07Å; K194-Y260 HydrophobicContact CD-CD1 4.21Å; K194-Y260 HydrophobicContact CG-CD1 4.15Å; K194-Y260 HydrophobicContact CG-CG 4.31Å |
| 195 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.8 | 158.6 | 173.6 | -88.2 | 0 | 0 | 0 | 109.3 | I159 F161 H187 Y188 C197 Y203 F205 L253 E258 V259 | I159-F195 HydrophobicContact CG2-CE2 3.75Å; I159-F195 HydrophobicContact CG2-CZ 3.96Å; F161-F195 AromaticContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CE2 4.03Å; F161-F195 HydrophobicContact CD1-CG 4.46Å; F161-F195 HydrophobicContact CE1-CB 4.05Å; F161-F195 AromaticContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CD2 3.4Å; F161-F195 VanDerWaalsContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CE2 4.1Å; F161-F195 AromaticContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CZ-CB 4.17Å; F161-F195 HydrophobicContact CZ-CD2 4.33Å; H187-F195 HydrophobicContact CB-CD2 3.73Å; H187-F195 HydrophobicContact CB-CE2 3.33Å; H187-F195 HydrophobicContact CB-CZ 3.95Å; H187-F195 CarbonylContact O-C 3.58Å; H187-F195 WeakPolarHBondContact O-CA 3.48Å; Y188-F195 HydrophobicContact CD2-CB 4.34Å; F195-C197 HydrophobicContact CE1-CB 4.16Å; F195-Y203 HydrophobicContact CE1-CD1 4.31Å; F195-Y203 HydrophobicContact CE1-CE1 4.09Å; F195-Y203 HydrophobicContact CE2-CE1 4.47Å; F195-Y203 AromaticContact CZ-CD1 3.96Å; F195-Y203 HydrophobicContact CZ-CD1 3.96Å; F195-Y203 AromaticContact CZ-CE1 3.51Å; F195-Y203 HydrophobicContact CZ-CE1 3.51Å; F195-F205 HydrophobicContact CB-CE1 4.31Å; F195-F205 AromaticContact CD1-CE1 3.93Å; F195-F205 HydrophobicContact CD1-CE1 3.93Å; F195-F205 AromaticContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CE1-CE1 4.41Å; F195-F205 HydrophobicContact CE1-CZ 4Å; F195-F205 AromaticContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CZ 4.35Å; F195-L253 HydrophobicContact CD1-CD1 4.33Å; F195-L253 HydrophobicContact CE1-CD1 3.88Å; F195-E258 CarbonylContact O-C 3.57Å; F195-E258 WeakPolarHBondContact O-CA 3.34Å; F195-V259 HydrophobicContact CB-CB 4.45Å; F195-V259 HydrophobicContact CD1-CB 4.4Å; F195-V259 PolarHBondContact N-O 3.21Å; F195-V259 PolarHBondContact O-N 2.85Å |
| 196 | S | 98.7 | Very high | 98.5 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.1 | 176 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | H187 Q198 | H187-S196 PolarHBondContact ND1-O 3.35Å; H187-S196 PolarHBondContact O-N 3.34Å; S196-Q198 PolarHBondContact O-N 2.96Å |
| 197 | C | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | trans | -64.9 | 131.4 | 175.4 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | F195 V199 L253 D254 G256 D257 | F195-C197 HydrophobicContact CE1-CB 4.16Å; C197-V199 PolarHBondContact SG-O 3.09Å; C197-L253 HydrophobicContact CB-CB 4.04Å; C197-L253 HydrophobicContact CB-CD1 4.09Å; C197-D254 VanDerWaalsContact CB-O 3.24Å; C197-D254 WeakPolarHBondContact CB-O 3.46Å; C197-D254 PolarHBondContact SG-O 3.37Å; C197-G256 PolarHBondContact O-N 3.05Å; C197-D257 HydrophobicContact CB-CB 4.07Å; C197-D257 WeakPolarHBondContact CB-O 3.45Å; C197-D257 PolarHBondContact N-O 2.93Å | ||
| 198 | Q | 96.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 38.8 Ų | 38.8 | 56% | 0.556 | 20% | 0.201 | S | C | * | . | trans | -122.2 | -22.4 | 169.1 | -44.8 | 167.8 | 11.6 | 0 | 0 | 111.8 | S196 S255 | S196-Q198 PolarHBondContact O-N 2.96Å; Q198-S255 WeakPolarHBondContact CA-OG 3.4Å; Q198-S255 WeakPolarHBondContact O-CB 3.31Å; Q198-S255 PolarHBondContact O-OG 3.05Å | ||
| 199 | V | 97.6 | Very high | 98.5 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -108.4 | 116.8 | 177 | 174.3 | 0 | 0 | 0 | 0 | 107.8 | P157 I159 C197 G201 Y203 L283 P286 | P157-V199 HydrophobicContact CB-CG1 4.21Å; P157-V199 HydrophobicContact CB-CG2 4.12Å; P157-V199 HydrophobicContact CG-CG1 3.84Å; I159-V199 HydrophobicContact CD1-CB 3.84Å; I159-V199 HydrophobicContact CD1-CG2 3.84Å; C197-V199 PolarHBondContact SG-O 3.09Å; V199-G201 PolarHBondContact O-N 2.95Å; V199-Y203 WeakPolarHBondContact O-CE2 3.4Å; V199-Y203 PolarHBondContact O-OH 2.82Å; V199-L283 HydrophobicContact CG1-CD2 4.41Å; V199-P286 HydrophobicContact CG1-CB 4.11Å |
| 200 | R | 98.3 | Very high | 98.5 | Very high | 115 Ų | 115 | 37.5 Ų | 37.5 | 43% | 0.434 | 19% | 0.194 | S | C | . | . | trans | -62.4 | 136 | 176.3 | -178 | -179.8 | 153.3 | 98.4 | 12.5 | 110 | H252 L253 D254 D287 | R200-H252 PolarHBondContact NH2-CE1 2.71Å; R200-H252 VanDerWaalsContact NH2-CE1 3.33Å; R200-H252 PolarHBondContact NH2-NE2 3.22Å; R200-L253 VanDerWaalsContact CA-O 3.29Å; R200-L253 WeakPolarHBondContact CA-O 3.4Å; R200-L253 WeakPolarHBondContact CG-O 3.21Å; R200-D254 VanDerWaalsContact CD-OD1 3.26Å; R200-D254 WeakPolarHBondContact CD-OD1 3.35Å; R200-D254 IonicContact CZ-OD1 2.7Å; R200-D254 IonicContact NE-OD1 2.93Å; R200-D254 IonicContact NH1-OD1 2.67Å; R200-D254 PolarHBondContact NH1-OD1 2.99Å; R200-D254 IonicContact NH1-OD2 3.74Å; R200-D287 HydrophobicContact CG-CB 4.14Å; R200-D287 IonicContact CZ-OD2 2.77Å; R200-D287 IonicContact NE-OD2 2.65Å; R200-D287 PolarHBondContact NE-OD2 2.88Å; R200-D287 IonicContact NH2-OD2 2.95Å; R200-D287 PolarHBondContact NH2-OD2 3.35Å; R200-D287 PolarHBondContact O-N 3.17Å; R200-D287 VanDerWaalsContact O-N 3.08Å | ||
| 201 | G | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170 | -177.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | V199 Y203 H252 L253 Y285 D287 | V199-G201 PolarHBondContact O-N 2.95Å; G201-Y203 WeakPolarHBondContact O-CD2 3.38Å; G201-H252 WeakPolarHBondContact O-CA 3.41Å; G201-L253 PolarHBondContact N-O 3.31Å; G201-L253 PolarHBondContact O-N 3.05Å; G201-Y285 CarbonylContact C-O 3.6Å; G201-Y285 VanDerWaalsContact CA-O 3.29Å; G201-Y285 WeakPolarHBondContact CA-O 3.34Å; G201-D287 WeakPolarHBondContact CA-OD1 3.48Å |
| 202 | I | 98.6 | Very high | 98.3 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.8 | 172.4 | -55.4 | -65.8 | 0 | 0 | 0 | 109.7 | V250 H252 L284 Y285 | I202-V250 HydrophobicContact CG2-CG1 3.48Å; I202-V250 VanDerWaalsContact CG2-CG1 3.48Å; I202-H252 HydrophobicContact CD1-CB 3.82Å; I202-L284 HydrophobicContact CG2-CB 4.39Å; I202-L284 HydrophobicContact CG2-CD1 4.08Å; I202-L284 WeakPolarHBondContact O-CB 3.44Å; I202-L284 PolarHBondContact O-N 3.47Å; I202-Y285 HydrophobicContact CB-CD2 4.38Å; I202-Y285 PolarHBondContact N-O 2.94Å; I202-Y285 PolarHBondContact O-N 2.81Å |
| 203 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.5 | -178.8 | -72.9 | -95.5 | 0 | 0 | 0 | 111.6 | I159 F195 V199 G201 F205 V250 L251 L253 F282 L283 | I159-Y203 HydrophobicContact CB-CE1 4.44Å; I159-Y203 HydrophobicContact CD1-CE1 4.46Å; I159-Y203 WeakPolarHBondContact CD1-OH 3.3Å; I159-Y203 HydrophobicContact CG2-CE1 4.11Å; F195-Y203 HydrophobicContact CE1-CD1 4.31Å; F195-Y203 HydrophobicContact CE1-CE1 4.09Å; F195-Y203 HydrophobicContact CE2-CE1 4.47Å; F195-Y203 AromaticContact CZ-CD1 3.96Å; F195-Y203 HydrophobicContact CZ-CD1 3.96Å; F195-Y203 AromaticContact CZ-CE1 3.51Å; F195-Y203 HydrophobicContact CZ-CE1 3.51Å; V199-Y203 WeakPolarHBondContact O-CE2 3.4Å; V199-Y203 PolarHBondContact O-OH 2.82Å; G201-Y203 WeakPolarHBondContact O-CD2 3.38Å; Y203-F205 VanDerWaalsContact CB-CE2 3.45Å; Y203-F205 HydrophobicContact CD1-CZ 4.44Å; Y203-F205 HydrophobicContact CG-CE2 4.33Å; Y203-F205 HydrophobicContact CG-CZ 4.36Å; Y203-V250 CarbonylContact O-C 3.59Å; Y203-V250 VanDerWaalsContact O-CA 3.31Å; Y203-V250 WeakPolarHBondContact O-CA 3.15Å; Y203-L251 PolarHBondContact N-O 3.14Å; Y203-L251 PolarHBondContact O-N 3.13Å; Y203-L253 HydrophobicContact CD2-CB 3.84Å; Y203-L253 HydrophobicContact CD2-CD1 3.66Å; Y203-L253 HydrophobicContact CD2-CG 3.8Å; Y203-L253 HydrophobicContact CE2-CB 4.03Å; Y203-L253 HydrophobicContact CE2-CD1 4.13Å; Y203-L253 HydrophobicContact CE2-CG 4.41Å; Y203-L253 HydrophobicContact CG-CD1 3.9Å; Y203-L253 HydrophobicContact CG-CG 4.37Å; Y203-F282 WeakPolarHBondContact CA-O 3.39Å; Y203-L283 HydrophobicContact CD1-CB 4.08Å; Y203-L283 HydrophobicContact CD1-CD1 4.27Å; Y203-L283 HydrophobicContact CD2-CD1 4.04Å; Y203-L283 HydrophobicContact CE1-CB 3.69Å; Y203-L283 HydrophobicContact CE1-CD1 3.85Å; Y203-L283 HydrophobicContact CE1-CG 4.37Å; Y203-L283 HydrophobicContact CE2-CD1 3.62Å; Y203-L283 HydrophobicContact CG-CD1 4.36Å |
| 204 | F | 98.9 | Very high | 97.5 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 142.1 | 165.7 | 173.8 | -93.8 | 0 | 0 | 0 | 110 | T206 V250 G281 F282 L284 | F204-T206 HydrophobicContact CE1-CG2 3.8Å; F204-T206 HydrophobicContact CZ-CG2 4.21Å; F204-V250 HydrophobicContact CD2-CG2 3.99Å; F204-G281 CarbonylContact O-C 3.2Å; F204-G281 WeakPolarHBondContact O-CA 3.39Å; F204-F282 HydrophobicContact CB-CE1 4.31Å; F204-F282 HydrophobicContact CB-CE2 4.27Å; F204-F282 HydrophobicContact CB-CZ 4.09Å; F204-F282 HydrophobicContact CD1-CD1 4.11Å; F204-F282 AromaticContact CD1-CE1 3.4Å; F204-F282 HydrophobicContact CD1-CE1 3.4Å; F204-F282 AromaticContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CE1-CE1 4.08Å; F204-F282 HydrophobicContact CG-CE1 4.19Å; F204-F282 HydrophobicContact CG-CZ 4.13Å; F204-F282 PolarHBondContact N-O 2.97Å; F204-F282 PolarHBondContact O-N 3.44Å; F204-L284 HydrophobicContact CB-CD1 4.13Å; F204-L284 HydrophobicContact CB-CG 4.28Å |
| 205 | F | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.8 | 171.4 | -62.1 | -87.2 | 0 | 0 | 0 | 111 | F161 F195 Y203 L223 S248 V249 L251 L253 V259 F279 S280 | F161-F205 HydrophobicContact CE1-CD1 4.09Å; F161-F205 AromaticContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CZ-CD1 4.04Å; F161-F205 HydrophobicContact CZ-CE1 4.09Å; F195-F205 HydrophobicContact CB-CE1 4.31Å; F195-F205 AromaticContact CD1-CE1 3.93Å; F195-F205 HydrophobicContact CD1-CE1 3.93Å; F195-F205 AromaticContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CE1-CE1 4.41Å; F195-F205 HydrophobicContact CE1-CZ 4Å; F195-F205 AromaticContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CZ 4.35Å; Y203-F205 VanDerWaalsContact CB-CE2 3.45Å; Y203-F205 HydrophobicContact CD1-CZ 4.44Å; Y203-F205 HydrophobicContact CG-CE2 4.33Å; Y203-F205 HydrophobicContact CG-CZ 4.36Å; F205-L223 HydrophobicContact CB-CD1 3.6Å; F205-L223 HydrophobicContact CG-CD1 4.21Å; F205-S248 CarbonylContact O-C 3.59Å; F205-S248 WeakPolarHBondContact O-CA 3.23Å; F205-S248 VanDerWaalsContact O-CB 3.31Å; F205-S248 WeakPolarHBondContact O-CB 3.34Å; F205-V249 HydrophobicContact CB-CG1 4.19Å; F205-V249 PolarHBondContact N-O 2.93Å; F205-V249 PolarHBondContact O-N 2.99Å; F205-L251 HydrophobicContact CD2-CD1 4.4Å; F205-L253 HydrophobicContact CE2-CD1 3.86Å; F205-L253 HydrophobicContact CZ-CD1 3.73Å; F205-V259 HydrophobicContact CD1-CG1 4.06Å; F205-V259 HydrophobicContact CD2-CG1 4.32Å; F205-V259 HydrophobicContact CE1-CB 4.09Å; F205-V259 HydrophobicContact CE1-CG1 3.94Å; F205-V259 HydrophobicContact CE1-CG2 4.49Å; F205-V259 HydrophobicContact CE2-CB 4.48Å; F205-V259 HydrophobicContact CE2-CG1 4.21Å; F205-V259 HydrophobicContact CE2-CG2 4.12Å; F205-V259 HydrophobicContact CG-CG1 4.25Å; F205-V259 HydrophobicContact CZ-CB 4Å; F205-V259 HydrophobicContact CZ-CG1 4.04Å; F205-V259 HydrophobicContact CZ-CG2 3.89Å; F205-F279 HydrophobicContact CB-CE2 4.26Å; F205-F279 AromaticContact CD1-CE2 3.96Å; F205-F279 HydrophobicContact CD1-CE2 3.96Å; F205-F279 AromaticContact CD1-CZ 3.94Å; F205-F279 HydrophobicContact CD1-CZ 3.94Å; F205-S280 WeakPolarHBondContact CA-O 3.18Å |
| 206 | T | 98.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 145.4 | 169.6 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | F204 H208 N247 F279 S280 | F204-T206 HydrophobicContact CE1-CG2 3.8Å; F204-T206 HydrophobicContact CZ-CG2 4.21Å; T206-H208 PolarHBondContact OG1-NE2 2.58Å; T206-N247 WeakPolarHBondContact CA-O 3.32Å; T206-N247 PolarHBondContact OG1-O 2.88Å; T206-F279 WeakPolarHBondContact O-CD2 3.38Å; T206-S280 VanDerWaalsContact CG2-OG 3.3Å; T206-S280 WeakPolarHBondContact CG2-OG 3.42Å; T206-S280 PolarHBondContact N-O 3.47Å; T206-S280 PolarHBondContact O-N 3.07Å |
| 207 | Y | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149 | 174.4 | 63.3 | -96.4 | 0 | 0 | 0 | 110.8 | I209 A221 L223 A233 S246 N247 V261 T278 | Y207-I209 HydrophobicContact CD2-CD1 4.32Å; Y207-I209 HydrophobicContact CD2-CG1 3.96Å; Y207-A221 HydrophobicContact CD2-CB 4.35Å; Y207-A221 HydrophobicContact CE2-CB 3.83Å; Y207-A221 PolarHBondContact OH-O 3.22Å; Y207-L223 HydrophobicContact CD1-CB 3.95Å; Y207-L223 HydrophobicContact CD1-CD1 4.11Å; Y207-L223 HydrophobicContact CE1-CB 3.58Å; Y207-L223 HydrophobicContact CE1-CD1 4.43Å; Y207-A233 HydrophobicContact CE2-CB 4.18Å; Y207-A233 PolarHBondContact OH-N 2.9Å; Y207-S246 VanDerWaalsContact O-CA 3.27Å; Y207-S246 WeakPolarHBondContact O-CA 3.45Å; Y207-N247 WeakPolarHBondContact CD1-O 3.18Å; Y207-N247 HydrophobicContact CE1-CB 3.82Å; Y207-N247 HydrophobicContact CE2-CB 4.17Å; Y207-N247 PolarHBondContact N-O 2.82Å; Y207-N247 PolarHBondContact O-N 2.89Å; Y207-N247 VanDerWaalsContact OH-CB 3.26Å; Y207-N247 WeakPolarHBondContact OH-CB 3.44Å; Y207-V261 HydrophobicContact CD1-CG2 4.3Å; Y207-V261 HydrophobicContact CG-CG2 4.22Å; Y207-T278 WeakPolarHBondContact CA-O 3.26Å |
| 208 | H | 98.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 42.6 Ų | 42.6 | 36% | 0.356 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 105.2 | 173.6 | -59.1 | -78.3 | 0 | 0 | 0 | 107.4 | T206 Y244 S246 S277 T278 | T206-H208 PolarHBondContact OG1-NE2 2.58Å; H208-Y244 HydrophobicContact CB-CD1 4.12Å; H208-Y244 HydrophobicContact CB-CE1 4.04Å; H208-S246 WeakPolarHBondContact CA-OG 3.44Å; H208-S246 VanDerWaalsContact ND1-CB 3.34Å; H208-S246 WeakPolarHBondContact ND1-CB 3.26Å; H208-S246 PolarHBondContact ND1-OG 3.29Å; H208-S277 CarbonylContact O-C 3.55Å; H208-S277 VanDerWaalsContact O-CA 3.31Å; H208-S277 WeakPolarHBondContact O-CA 3.36Å; H208-T278 PolarHBondContact N-O 2.97Å; H208-T278 PolarHBondContact O-N 3.33Å |
| 209 | I | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111 | -176.9 | -41.7 | -53.1 | 0 | 0 | 0 | 109 | L175 F177 Y207 M211 A221 Y244 A245 V261 L263 A268 | L175-I209 HydrophobicContact CD2-CD1 3.93Å; L175-I209 HydrophobicContact CD2-CG1 4.46Å; L175-I209 HydrophobicContact CD2-CG2 4.11Å; F177-I209 HydrophobicContact CE1-CD1 3.91Å; F177-I209 HydrophobicContact CZ-CD1 3.53Å; Y207-I209 HydrophobicContact CD2-CD1 4.32Å; Y207-I209 HydrophobicContact CD2-CG1 3.96Å; I209-M211 HydrophobicContact CB-CG 3.95Å; I209-M211 HydrophobicContact CG2-CG 3.5Å; I209-M211 HydrophobicContact CG2-SD 4.4Å; I209-M211 PolarHBondContact O-N 2.62Å; I209-M211 VanDerWaalsContact O-N 3.14Å; I209-A221 HydrophobicContact CG1-CB 3.88Å; I209-Y244 WeakPolarHBondContact O-CA 3.28Å; I209-A245 PolarHBondContact N-O 2.99Å; I209-A245 PolarHBondContact O-N 3.02Å; I209-V261 HydrophobicContact CD1-CG1 4.36Å; I209-V261 HydrophobicContact CG1-CG1 4.4Å; I209-L263 HydrophobicContact CG1-CD2 4.4Å; I209-L263 HydrophobicContact CG2-CD2 4.14Å; I209-A268 HydrophobicContact CG2-CB 3.5Å |
| 210 | L | 98.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 106.3 | 161 | 176.2 | 62.9 | 0 | 0 | 0 | 107.8 | Y242 Y244 A268 H269 Y276 S277 | L210-Y242 HydrophobicContact CD1-CD1 4.21Å; L210-Y242 HydrophobicContact CG-CD1 4.4Å; L210-Y244 HydrophobicContact CB-CE1 4.15Å; L210-Y244 HydrophobicContact CB-CE2 4.1Å; L210-Y244 HydrophobicContact CD1-CD2 4.19Å; L210-Y244 HydrophobicContact CD1-CE2 3.93Å; L210-A268 CarbonylContact O-C 3.56Å; L210-A268 WeakPolarHBondContact O-CA 3.44Å; L210-H269 HydrophobicContact CD2-CB 4.05Å; L210-H269 HydrophobicContact CG-CB 4.14Å; L210-H269 PolarHBondContact O-N 3.19Å; L210-Y276 HydrophobicContact CD2-CD2 3.84Å; L210-Y276 HydrophobicContact CD2-CG 4Å; L210-S277 PolarHBondContact N-OG 3.47Å; L210-S277 PolarHBondContact O-OG 3.05Å |
| 211 | M | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 155.1 | -179.6 | -67.5 | -173.4 | 68.6 | 0 | 0 | 111.2 | I209 M219 A221 Y242 D243 A245 L263 D264 K267 | I209-M211 HydrophobicContact CB-CG 3.95Å; I209-M211 HydrophobicContact CG2-CG 3.5Å; I209-M211 HydrophobicContact CG2-SD 4.4Å; I209-M211 PolarHBondContact O-N 2.62Å; I209-M211 VanDerWaalsContact O-N 3.14Å; M211-M219 HydrophobicContact CB-CG 4.29Å; M211-M219 HydrophobicContact CB-SD 3.54Å; M211-M219 VanDerWaalsContact CB-SD 3.54Å; M211-M219 HydrophobicContact CE-CB 3.99Å; M211-M219 HydrophobicContact CE-CG 4.26Å; M211-M219 HydrophobicContact SD-CG 4.38Å; M211-A221 HydrophobicContact SD-CB 4.19Å; M211-Y242 WeakPolarHBondContact O-CA 3.48Å; M211-D243 PolarHBondContact N-O 2.85Å; M211-D243 PolarHBondContact O-N 3.24Å; M211-A245 HydrophobicContact CG-CB 4.4Å; M211-A245 HydrophobicContact SD-CB 3.62Å; M211-L263 HydrophobicContact CE-CB 4.01Å; M211-L263 HydrophobicContact CE-CD1 4.25Å; M211-L263 HydrophobicContact CE-CD2 4.03Å; M211-L263 HydrophobicContact CE-CG 4.31Å; M211-L263 HydrophobicContact SD-CD2 4Å; M211-D264 WeakPolarHBondContact CE-O 3.43Å; M211-K267 CarbonylContact C-O 3.53Å; M211-K267 WeakPolarHBondContact CA-O 3.48Å |
| 212 | R | 95.7 | Very high | 95.7 | Very high | 92 Ų | 92 | 34.1 Ų | 34.1 | 35% | 0.347 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114.6 | 165.1 | -163.6 | -168.7 | -179.8 | -116.6 | -5.9 | 110.7 | N241 Y242 G266 K267 H269 | R212-N241 CarbonylContact C-O 3.55Å; R212-N241 WeakPolarHBondContact CA-O 3.41Å; R212-N241 HydrophobicContact CG-CB 3.83Å; R212-N241 WeakPolarHBondContact CG-O 3.17Å; R212-N241 PolarHBondContact NH2-OD1 3.08Å; R212-Y242 HydrophobicContact CB-CD1 3.83Å; R212-Y242 HydrophobicContact CB-CE1 3.65Å; R212-Y242 HydrophobicContact CG-CD1 4.01Å; R212-Y242 HydrophobicContact CG-CD2 4.3Å; R212-Y242 HydrophobicContact CG-CE1 3.81Å; R212-Y242 HydrophobicContact CG-CE2 4.1Å; R212-Y242 HydrophobicContact CG-CG 4.27Å; R212-G266 CarbonylContact O-C 3.54Å; R212-G266 WeakPolarHBondContact O-CA 3.29Å; R212-K267 HydrophobicContact CB-CG 4.27Å; R212-K267 PolarHBondContact N-O 3.29Å; R212-K267 PolarHBondContact O-N 3.39Å; R212-H269 WeakPolarHBondContact CB-NE2 3.35Å |
| 213 | G | 90.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -179.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M219 N241 G265 | G213-M219 PolarHBondContact N-SD 2.98Å; G213-M219 VanDerWaalsContact N-SD 3.37Å; G213-N241 PolarHBondContact N-O 3.12Å; G213-N241 PolarHBondContact O-ND2 2.78Å; G213-G265 WeakPolarHBondContact CA-O 3.37Å |
| 214 | G | 88.8 | Confident | 95.7 | Very high | 37 Ų | 37 | 31.8 Ų | 31.8 | 38% | 0.381 | 18% | 0.177 | S | C | . | . | trans | -85.8 | 154.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G216 T217 | G214-G216 PolarHBondContact O-N 3.01Å; G214-T217 VanDerWaalsContact C-OG1 3.27Å; G214-T217 WeakPolarHBondContact CA-OG1 3.26Å; G214-T217 PolarHBondContact N-OG1 3.02Å; G214-T217 PolarHBondContact O-N 2.84Å; G214-T217 PolarHBondContact O-OG1 3Å | ||
| 215 | D | 85.9 | Confident | 95.7 | Very high | 112 Ų | 112 | 31.3 Ų | 31.3 | 60% | 0.599 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 126.1 | -177.7 | -51.3 | -17.4 | 0 | 0 | 0 | 111.3 | T217 N241 | D215-T217 PolarHBondContact O-N 3.34Å; D215-T217 VanDerWaalsContact O-N 3.14Å; D215-N241 PolarHBondContact OD1-ND2 2.83Å |
| 216 | G | 85.2 | Confident | 95.7 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 35% | 0.351 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | -0.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G214 Q236 D237 A238 | G214-G216 PolarHBondContact O-N 3.01Å; G216-Q236 PolarHBondContact O-NE2 3.3Å; G216-D237 VanDerWaalsContact CA-O 3.26Å; G216-D237 WeakPolarHBondContact CA-O 3.14Å; G216-D237 PolarHBondContact N-O 3.32Å; G216-D237 VanDerWaalsContact N-O 3.14Å; G216-A238 PolarHBondContact N-O 2.96Å |
| 217 | T | 90.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 36.7 Ų | 36.7 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | trans | -95.7 | 141.1 | -179.7 | 63.7 | 0 | 0 | 0 | 0 | 112 | G214 D215 | G214-T217 VanDerWaalsContact C-OG1 3.27Å; G214-T217 WeakPolarHBondContact CA-OG1 3.26Å; G214-T217 PolarHBondContact N-OG1 3.02Å; G214-T217 PolarHBondContact O-N 2.84Å; G214-T217 PolarHBondContact O-OG1 3Å; D215-T217 PolarHBondContact O-N 3.34Å; D215-T217 VanDerWaalsContact O-N 3.14Å | ||
| 218 | S | 93.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | trans | -73.8 | 142.2 | 173.2 | -31.9 | 0 | 0 | 0 | 0 | 110.6 | A235 Q236 | S218-A235 WeakPolarHBondContact CA-O 3.38Å; S218-Q236 VanDerWaalsContact OG-CD 3.27Å; S218-Q236 PolarHBondContact OG-OE1 3.07Å | ||
| 219 | M | 96.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.8 | 172.8 | 69.7 | -167.6 | 106.1 | 0 | 0 | 109.4 | M211 G213 I234 A235 D264 | M211-M219 HydrophobicContact CB-CG 4.29Å; M211-M219 HydrophobicContact CB-SD 3.54Å; M211-M219 VanDerWaalsContact CB-SD 3.54Å; M211-M219 HydrophobicContact CE-CB 3.99Å; M211-M219 HydrophobicContact CE-CG 4.26Å; M211-M219 HydrophobicContact SD-CG 4.38Å; G213-M219 PolarHBondContact N-SD 2.98Å; G213-M219 VanDerWaalsContact N-SD 3.37Å; M219-I234 WeakPolarHBondContact O-CA 3.38Å; M219-A235 HydrophobicContact CG-CB 4.16Å; M219-A235 PolarHBondContact N-O 3.09Å; M219-A235 PolarHBondContact O-N 2.89Å; M219-D264 WeakPolarHBondContact CA-O 3.26Å |
| 220 | W | 98.1 | Very high | 95.6 | Very high | 81 Ų | 81 | 48 Ų | 48 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.9 | 179.4 | 56.3 | 89.6 | 0 | 0 | 0 | 113.4 | A233 I234 L263 D264 | W220-A233 CarbonylContact C-O 3.41Å; W220-A233 WeakPolarHBondContact CA-O 3.3Å; W220-A233 WeakPolarHBondContact CB-O 3.43Å; W220-I234 HydrophobicContact CB-CB 4.17Å; W220-I234 HydrophobicContact CB-CG1 4.31Å; W220-I234 HydrophobicContact CE3-CD1 4.15Å; W220-I234 HydrophobicContact CE3-CG1 4.33Å; W220-L263 CarbonylContact O-C 3.6Å; W220-L263 WeakPolarHBondContact O-CA 3.45Å; W220-D264 HydrophobicContact CD2-CB 4.07Å; W220-D264 VanDerWaalsContact CE2-CB 3.43Å; W220-D264 HydrophobicContact CG-CB 4.41Å; W220-D264 HydrophobicContact CH2-CB 4.42Å; W220-D264 HydrophobicContact CZ2-CB 3.63Å; W220-D264 PolarHBondContact N-O 3.46Å; W220-D264 VanDerWaalsContact N-O 3.09Å; W220-D264 PolarHBondContact O-N 3.25Å |
| 221 | A | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y207 I209 M211 S232 A233 A245 V261 K262 L263 | Y207-A221 HydrophobicContact CD2-CB 4.35Å; Y207-A221 HydrophobicContact CE2-CB 3.83Å; Y207-A221 PolarHBondContact OH-O 3.22Å; I209-A221 HydrophobicContact CG1-CB 3.88Å; M211-A221 HydrophobicContact SD-CB 4.19Å; A221-S232 WeakPolarHBondContact O-CA 2.97Å; A221-A233 PolarHBondContact N-O 2.77Å; A221-A233 PolarHBondContact O-N 2.99Å; A221-A245 HydrophobicContact CB-CB 3.6Å; A221-V261 HydrophobicContact CB-CG1 4.19Å; A221-K262 CarbonylContact C-O 3.52Å; A221-K262 WeakPolarHBondContact CA-O 3.13Å; A221-L263 HydrophobicContact CB-CD2 3.68Å |
| 222 | D | 98.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127 | -179.6 | -71.3 | -28.5 | 0 | 0 | 0 | 109.6 | V229 S232 V261 K262 | D222-V229 HydrophobicContact CB-CG1 3.93Å; D222-V229 HydrophobicContact CB-CG2 3.94Å; D222-S232 WeakPolarHBondContact OD1-CB 3.33Å; D222-S232 PolarHBondContact OD1-OG 2.87Å; D222-V261 CarbonylContact O-C 3.57Å; D222-V261 VanDerWaalsContact O-CA 3.3Å; D222-V261 WeakPolarHBondContact O-CA 3.3Å; D222-K262 PolarHBondContact N-O 3.35Å; D222-K262 PolarHBondContact O-N 2.81Å |
| 223 | L | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 118.7 | 163.4 | -178.7 | 155.6 | 0 | 0 | 0 | 108.8 | F205 Y207 R230 A231 V249 L251 V259 Y260 F279 | F205-L223 HydrophobicContact CB-CD1 3.6Å; F205-L223 HydrophobicContact CG-CD1 4.21Å; Y207-L223 HydrophobicContact CD1-CB 3.95Å; Y207-L223 HydrophobicContact CD1-CD1 4.11Å; Y207-L223 HydrophobicContact CE1-CB 3.58Å; Y207-L223 HydrophobicContact CE1-CD1 4.43Å; L223-R230 HydrophobicContact CD2-CB 4.17Å; L223-R230 PolarHBondContact O-N 2.97Å; L223-A231 PolarHBondContact N-O 2.89Å; L223-A231 PolarHBondContact O-N 2.93Å; L223-V249 HydrophobicContact CD1-CG1 3.97Å; L223-V249 HydrophobicContact CD2-CG1 3.87Å; L223-L251 HydrophobicContact CD2-CD1 4.01Å; L223-V259 HydrophobicContact CD1-CG1 4.13Å; L223-V259 HydrophobicContact CD2-CG1 3.67Å; L223-V259 HydrophobicContact CG-CG1 3.9Å; L223-Y260 CarbonylContact C-O 3.55Å; L223-Y260 WeakPolarHBondContact CA-O 3.4Å; L223-F279 HydrophobicContact CD1-CE2 3.89Å; L223-F279 HydrophobicContact CD1-CZ 4.39Å |
| 224 | C | 98.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143 | -178.4 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | Q228 V259 Y260 | C224-Q228 CarbonylContact C-O 3.48Å; C224-Q228 VanDerWaalsContact CA-O 3.28Å; C224-Q228 WeakPolarHBondContact CA-O 3.31Å; C224-V259 VanDerWaalsContact O-CA 3.3Å; C224-V259 WeakPolarHBondContact O-CA 3.2Å; C224-Y260 HydrophobicContact CB-CD1 4.5Å; C224-Y260 HydrophobicContact CB-CD2 4.06Å; C224-Y260 HydrophobicContact CB-CE1 4.13Å; C224-Y260 HydrophobicContact CB-CE2 3.64Å; C224-Y260 HydrophobicContact CB-CG 4.48Å; C224-Y260 PolarHBondContact N-O 3.23Å; C224-Y260 PolarHBondContact O-N 2.91Å; C224-Y260 VanDerWaalsContact O-N 3.1Å |
| 225 | K | 98.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 50 Ų | 50 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.9 | 163.1 | 178.3 | -174.5 | 178.2 | 172.9 | 0 | 107.6 | G227 Q228 R230 H252 L253 D257 E258 | K225-G227 PolarHBondContact O-N 3.46Å; K225-G227 VanDerWaalsContact O-N 3.15Å; K225-Q228 PolarHBondContact N-O 2.96Å; K225-Q228 PolarHBondContact O-N 3.34Å; K225-R230 HydrophobicContact CB-CG 3.51Å; K225-H252 PolarHBondContact NZ-O 3.29Å; K225-L253 HydrophobicContact CD-CD2 3.73Å; K225-L253 HydrophobicContact CG-CD2 4.19Å; K225-D257 WeakPolarHBondContact CE-OD2 3.31Å; K225-D257 IonicContact NZ-OD2 2.75Å; K225-D257 PolarHBondContact NZ-OD2 3.42Å; K225-E258 WeakPolarHBondContact CA-O 3.08Å |
| 226 | N | 98.3 | Very high | 96.8 | Very high | 88 Ų | 88 | 50 Ų | 50 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 41.2 | -179.1 | -55.1 | -13.5 | 0 | 0 | 0 | 113.7 | Q228 D257 E258 | N226-Q228 VanDerWaalsContact C-N 3.31Å; N226-Q228 PolarHBondContact O-N 3.29Å; N226-D257 PolarHBondContact ND2-OD1 2.77Å; N226-D257 WeakPolarHBondContact OD1-CA 3.5Å; N226-E258 PolarHBondContact N-O 2.82Å; N226-E258 PolarHBondContact OD1-N 3.36Å; N226-E258 PolarHBondContact OD1-O 2.81Å |
| 227 | G | 97.3 | Very high | 96.9 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -5.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | K225 Y260 | K225-G227 PolarHBondContact O-N 3.46Å; K225-G227 VanDerWaalsContact O-N 3.15Å; G227-Y260 WeakPolarHBondContact CA-OH 3.27Å |
| 228 | Q | 98.5 | Very high | 96.5 | Very high | 123 Ų | 123 | 51.4 Ų | 51.4 | 58% | 0.575 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.5 | 171.2 | -65.6 | -167 | -9.9 | 0 | 0 | 111.5 | C224 K225 N226 R230 | C224-Q228 CarbonylContact C-O 3.48Å; C224-Q228 VanDerWaalsContact CA-O 3.28Å; C224-Q228 WeakPolarHBondContact CA-O 3.31Å; K225-Q228 PolarHBondContact N-O 2.96Å; K225-Q228 PolarHBondContact O-N 3.34Å; N226-Q228 VanDerWaalsContact C-N 3.31Å; N226-Q228 PolarHBondContact O-N 3.29Å; Q228-R230 WeakPolarHBondContact O-CD 3.34Å; Q228-R230 WeakPolarHBondContact O-CG 3.24Å; Q228-R230 PolarHBondContact O-N 3.37Å; Q228-R230 VanDerWaalsContact OE1-NH1 3.13Å |
| 229 | V | 98.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.4 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 110 | D222 | D222-V229 HydrophobicContact CB-CG1 3.93Å; D222-V229 HydrophobicContact CB-CG2 3.94Å |
| 230 | R | 98.8 | Very high | 94.8 | Very high | 121 Ų | 121 | 61.5 Ų | 61.5 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -27.5 | 179.1 | -51.9 | -46.9 | -54.3 | 178.6 | 3.4 | 113.1 | L223 K225 Q228 L251 | L223-R230 HydrophobicContact CD2-CB 4.17Å; L223-R230 PolarHBondContact O-N 2.97Å; K225-R230 HydrophobicContact CB-CG 3.51Å; Q228-R230 WeakPolarHBondContact O-CD 3.34Å; Q228-R230 WeakPolarHBondContact O-CG 3.24Å; Q228-R230 PolarHBondContact O-N 3.37Å; Q228-R230 VanDerWaalsContact OE1-NH1 3.13Å; R230-L251 HydrophobicContact CB-CD1 4.21Å; R230-L251 HydrophobicContact CB-CD2 4.13Å; R230-L251 HydrophobicContact CG-CD1 4.12Å; R230-L251 HydrophobicContact CG-CD2 4.28Å |
| 231 | A | 98.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 142.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L223 N247 V249 | L223-A231 PolarHBondContact N-O 2.89Å; L223-A231 PolarHBondContact O-N 2.93Å; A231-N247 HydrophobicContact CB-CB 4.42Å; A231-V249 HydrophobicContact CB-CB 4.14Å |
| 232 | S | 98.8 | Very high | 94 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.9 | -178 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | A221 D222 N247 | A221-S232 WeakPolarHBondContact O-CA 2.97Å; D222-S232 WeakPolarHBondContact OD1-CB 3.33Å; D222-S232 PolarHBondContact OD1-OG 2.87Å; S232-N247 PolarHBondContact O-ND2 3.14Å |
| 233 | A | 98.6 | Very high | 93.9 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 12% | 0.116 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y207 W220 A221 A245 S246 N247 | Y207-A233 HydrophobicContact CE2-CB 4.18Å; Y207-A233 PolarHBondContact OH-N 2.9Å; W220-A233 CarbonylContact C-O 3.41Å; W220-A233 WeakPolarHBondContact CA-O 3.3Å; W220-A233 WeakPolarHBondContact CB-O 3.43Å; A221-A233 PolarHBondContact N-O 2.77Å; A221-A233 PolarHBondContact O-N 2.99Å; A233-A245 HydrophobicContact CB-CB 4.08Å; A233-S246 WeakPolarHBondContact CB-O 3.27Å; A233-N247 HydrophobicContact CB-CB 4.28Å |
| 234 | I | 97.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 70.4 Ų | 70.4 | 60% | 0.595 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.4 | -177.4 | -170.4 | 169.3 | 0 | 0 | 0 | 110.4 | M219 W220 | M219-I234 WeakPolarHBondContact O-CA 3.38Å; W220-I234 HydrophobicContact CB-CB 4.17Å; W220-I234 HydrophobicContact CB-CG1 4.31Å; W220-I234 HydrophobicContact CE3-CD1 4.15Å; W220-I234 HydrophobicContact CE3-CG1 4.33Å |
| 235 | A | 94.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S218 M219 D243 | S218-A235 WeakPolarHBondContact CA-O 3.38Å; M219-A235 HydrophobicContact CG-CB 4.16Å; M219-A235 PolarHBondContact N-O 3.09Å; M219-A235 PolarHBondContact O-N 2.89Å; A235-D243 HydrophobicContact CB-CB 3.95Å; A235-D243 VanDerWaalsContact CB-OD2 3.3Å; A235-D243 WeakPolarHBondContact CB-OD2 3.14Å |
| 236 | Q | 93.7 | Very high | 93.8 | Very high | 113 Ų | 113 | 70.4 Ų | 70.4 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | trans | -159.1 | 122.6 | 174.4 | -177.4 | 176 | -0.1 | 0 | 0 | 110.1 | G216 S218 | G216-Q236 PolarHBondContact O-NE2 3.3Å; S218-Q236 VanDerWaalsContact OG-CD 3.27Å; S218-Q236 PolarHBondContact OG-OE1 3.07Å | ||
| 237 | D | 88.6 | Confident | 93.8 | Very high | 48 Ų | 48 | 69.1 Ų | 69.1 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | trans | -122.3 | 156.1 | 175 | -71.1 | -54.2 | 0 | 0 | 0 | 110.8 | G216 Q240 | G216-D237 VanDerWaalsContact CA-O 3.26Å; G216-D237 WeakPolarHBondContact CA-O 3.14Å; G216-D237 PolarHBondContact N-O 3.32Å; G216-D237 VanDerWaalsContact N-O 3.14Å; D237-Q240 HydrophobicContact CB-CB 3.76Å; D237-Q240 WeakPolarHBondContact CB-O 3.34Å | ||
| 238 | A | 80.8 | Confident | 93.9 | Very high | 82 Ų | 82 | 69.5 Ų | 69.5 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -76.1 | -43.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G216 | G216-A238 PolarHBondContact N-O 2.96Š|
| 239 | D | 80.1 | Confident | 93.9 | Very high | 145 Ų | 145 | 64.9 Ų | 64.9 | 78% | 0.775 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -138 | 0.8 | -171.6 | 61.1 | -20.6 | 0 | 0 | 0 | 114 | ||
| 240 | Q | 74.9 | Confident | 93.9 | Very high | 105 Ų | 105 | 65.4 Ų | 65.4 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | trans | -99 | 120.4 | 173.7 | 174.1 | 172.6 | -40.6 | 0 | 0 | 110.1 | D237 Y242 | D237-Q240 HydrophobicContact CB-CB 3.76Å; D237-Q240 WeakPolarHBondContact CB-O 3.34Å; Q240-Y242 WeakPolarHBondContact CG-O 3.02Å; Q240-Y242 PolarHBondContact NE2-O 3.23Å | ||
| 241 | N | 84.6 | Confident | 93.9 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | trans | -79.4 | -17.1 | -178.8 | -68.9 | 131.3 | 0 | 0 | 0 | 114.6 | R212 G213 D215 | R212-N241 CarbonylContact C-O 3.55Å; R212-N241 WeakPolarHBondContact CA-O 3.41Å; R212-N241 HydrophobicContact CG-CB 3.83Å; R212-N241 WeakPolarHBondContact CG-O 3.17Å; R212-N241 PolarHBondContact NH2-OD1 3.08Å; G213-N241 PolarHBondContact N-O 3.12Å; G213-N241 PolarHBondContact O-ND2 2.78Å; D215-N241 PolarHBondContact OD1-ND2 2.83Å | ||
| 242 | Y | 95.2 | Very high | 93.9 | Very high | 98 Ų | 98 | 62.8 Ų | 62.8 | 38% | 0.384 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.8 | -168.2 | -74.2 | -84.2 | 0 | 0 | 0 | 111.7 | L210 M211 R212 Q240 H269 | L210-Y242 HydrophobicContact CD1-CD1 4.21Å; L210-Y242 HydrophobicContact CG-CD1 4.4Å; M211-Y242 WeakPolarHBondContact O-CA 3.48Å; R212-Y242 HydrophobicContact CB-CD1 3.83Å; R212-Y242 HydrophobicContact CB-CE1 3.65Å; R212-Y242 HydrophobicContact CG-CD1 4.01Å; R212-Y242 HydrophobicContact CG-CD2 4.3Å; R212-Y242 HydrophobicContact CG-CE1 3.81Å; R212-Y242 HydrophobicContact CG-CE2 4.1Å; R212-Y242 HydrophobicContact CG-CG 4.27Å; Q240-Y242 WeakPolarHBondContact CG-O 3.02Å; Q240-Y242 PolarHBondContact NE2-O 3.23Å; Y242-H269 AromaticContact CE1-CD2 3.85Å; Y242-H269 AromaticContact CE1-CE1 3.7Å; Y242-H269 AromaticContact CE1-CG 3.84Å; Y242-H269 AromaticContact CE1-ND1 3.75Å; Y242-H269 AromaticContact CE1-NE2 3.79Å; Y242-H269 AromaticContact CZ-CE1 3.95Å; Y242-H269 PolarHBondContact OH-CE1 3Å; Y242-H269 VanDerWaalsContact OH-CE1 3.29Å |
| 243 | D | 96.8 | Very high | 93.9 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 173.6 | 172.3 | -165.6 | 18.9 | 0 | 0 | 0 | 111.1 | M211 A235 | M211-D243 PolarHBondContact N-O 2.85Å; M211-D243 PolarHBondContact O-N 3.24Å; A235-D243 HydrophobicContact CB-CB 3.95Å; A235-D243 VanDerWaalsContact CB-OD2 3.3Å; A235-D243 WeakPolarHBondContact CB-OD2 3.14Å |
| 244 | Y | 97.9 | Very high | 93.9 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.5 | 180 | -91.8 | -92.8 | 0 | 0 | 0 | 113.4 | H208 I209 L210 Y276 | H208-Y244 HydrophobicContact CB-CD1 4.12Å; H208-Y244 HydrophobicContact CB-CE1 4.04Å; I209-Y244 WeakPolarHBondContact O-CA 3.28Å; L210-Y244 HydrophobicContact CB-CE1 4.15Å; L210-Y244 HydrophobicContact CB-CE2 4.1Å; L210-Y244 HydrophobicContact CD1-CD2 4.19Å; L210-Y244 HydrophobicContact CD1-CE2 3.93Å; Y244-Y276 VanDerWaalsContact CE1-O 3.23Å; Y244-Y276 WeakPolarHBondContact CE1-O 3.3Å; Y244-Y276 PolarHBondContact OH-O 3.31Å; Y244-Y276 VanDerWaalsContact OH-O 3.13Å |
| 245 | A | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 108.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I209 M211 A221 A233 | I209-A245 PolarHBondContact N-O 2.99Å; I209-A245 PolarHBondContact O-N 3.02Å; M211-A245 HydrophobicContact CG-CB 4.4Å; M211-A245 HydrophobicContact SD-CB 3.62Å; A221-A245 HydrophobicContact CB-CB 3.6Å; A233-A245 HydrophobicContact CB-CB 4.08Å |
| 246 | S | 98.8 | Very high | 94 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134 | -177.9 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | Y207 H208 A233 | Y207-S246 VanDerWaalsContact O-CA 3.27Å; Y207-S246 WeakPolarHBondContact O-CA 3.45Å; H208-S246 WeakPolarHBondContact CA-OG 3.44Å; H208-S246 VanDerWaalsContact ND1-CB 3.34Å; H208-S246 WeakPolarHBondContact ND1-CB 3.26Å; H208-S246 PolarHBondContact ND1-OG 3.29Å; A233-S246 WeakPolarHBondContact CB-O 3.27Å |
| 247 | N | 98.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 167.1 | 169.7 | -146.9 | -25.9 | 0 | 0 | 0 | 111.5 | T206 Y207 A231 S232 A233 | T206-N247 WeakPolarHBondContact CA-O 3.32Å; T206-N247 PolarHBondContact OG1-O 2.88Å; Y207-N247 WeakPolarHBondContact CD1-O 3.18Å; Y207-N247 HydrophobicContact CE1-CB 3.82Å; Y207-N247 HydrophobicContact CE2-CB 4.17Å; Y207-N247 PolarHBondContact N-O 2.82Å; Y207-N247 PolarHBondContact O-N 2.89Å; Y207-N247 VanDerWaalsContact OH-CB 3.26Å; Y207-N247 WeakPolarHBondContact OH-CB 3.44Å; A231-N247 HydrophobicContact CB-CB 4.42Å; S232-N247 PolarHBondContact O-ND2 3.14Å; A233-N247 HydrophobicContact CB-CB 4.28Å |
| 248 | S | 98.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157 | 173.3 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | F205 | F205-S248 CarbonylContact O-C 3.59Å; F205-S248 WeakPolarHBondContact O-CA 3.23Å; F205-S248 VanDerWaalsContact O-CB 3.31Å; F205-S248 WeakPolarHBondContact O-CB 3.34Å |
| 249 | V | 98.9 | Very high | 95.6 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 147.6 | -178.3 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | F205 L223 A231 L251 | F205-V249 HydrophobicContact CB-CG1 4.19Å; F205-V249 PolarHBondContact N-O 2.93Å; F205-V249 PolarHBondContact O-N 2.99Å; L223-V249 HydrophobicContact CD1-CG1 3.97Å; L223-V249 HydrophobicContact CD2-CG1 3.87Å; A231-V249 HydrophobicContact CB-CB 4.14Å; V249-L251 HydrophobicContact CG1-CD1 3.96Å; V249-L251 HydrophobicContact CG1-CG 3.95Å; V249-L251 HydrophobicContact CG2-CD2 3.76Å; V249-L251 HydrophobicContact CG2-CG 3.91Å |
| 250 | V | 98.9 | Very high | 96.5 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.4 | 166.6 | 177.5 | 0 | 0 | 0 | 0 | 108 | I202 Y203 F204 L284 | I202-V250 HydrophobicContact CG2-CG1 3.48Å; I202-V250 VanDerWaalsContact CG2-CG1 3.48Å; Y203-V250 CarbonylContact O-C 3.59Å; Y203-V250 VanDerWaalsContact O-CA 3.31Å; Y203-V250 WeakPolarHBondContact O-CA 3.15Å; F204-V250 HydrophobicContact CD2-CG2 3.99Å; V250-L284 HydrophobicContact CG1-CD1 4.23Å; V250-L284 HydrophobicContact CG2-CD1 4.45Å |
| 251 | L | 98.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.9 | -176.6 | -65.6 | 175.7 | 0 | 0 | 0 | 110.9 | Y203 F205 L223 R230 V249 L253 | Y203-L251 PolarHBondContact N-O 3.14Å; Y203-L251 PolarHBondContact O-N 3.13Å; F205-L251 HydrophobicContact CD2-CD1 4.4Å; L223-L251 HydrophobicContact CD2-CD1 4.01Å; R230-L251 HydrophobicContact CB-CD1 4.21Å; R230-L251 HydrophobicContact CB-CD2 4.13Å; R230-L251 HydrophobicContact CG-CD1 4.12Å; R230-L251 HydrophobicContact CG-CD2 4.28Å; V249-L251 HydrophobicContact CG1-CD1 3.96Å; V249-L251 HydrophobicContact CG1-CG 3.95Å; V249-L251 HydrophobicContact CG2-CD2 3.76Å; V249-L251 HydrophobicContact CG2-CG 3.91Å; L251-L253 HydrophobicContact CB-CD2 4.07Å; L251-L253 HydrophobicContact CB-CG 4.48Å; L251-L253 HydrophobicContact CD1-CD2 4.5Å |
| 252 | H | 98.7 | Very high | 98.3 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 129.9 | 157.8 | -174 | -78.7 | 0 | 0 | 0 | 109 | R200 G201 I202 K225 D287 | R200-H252 PolarHBondContact NH2-CE1 2.71Å; R200-H252 VanDerWaalsContact NH2-CE1 3.33Å; R200-H252 PolarHBondContact NH2-NE2 3.22Å; G201-H252 WeakPolarHBondContact O-CA 3.41Å; I202-H252 HydrophobicContact CD1-CB 3.82Å; K225-H252 PolarHBondContact NZ-O 3.29Å; H252-D287 IonicContact CD2-OD1 2.62Å; H252-D287 PolarHBondContact CD2-OD1 3.23Å; H252-D287 IonicContact CD2-OD2 3.16Å; H252-D287 IonicContact CE1-OD2 3.96Å; H252-D287 VanDerWaalsContact NE2-CG 3.31Å; H252-D287 IonicContact NE2-OD1 3.46Å; H252-D287 PolarHBondContact NE2-OD1 3.37Å; H252-D287 IonicContact NE2-OD2 3.77Å; H252-D287 PolarHBondContact NE2-OD2 3.13Å |
| 253 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.5 | 177.8 | -58.2 | -175.6 | 0 | 0 | 0 | 110.9 | F195 C197 R200 G201 Y203 F205 K225 L251 D257 V259 | F195-L253 HydrophobicContact CD1-CD1 4.33Å; F195-L253 HydrophobicContact CE1-CD1 3.88Å; C197-L253 HydrophobicContact CB-CB 4.04Å; C197-L253 HydrophobicContact CB-CD1 4.09Å; R200-L253 VanDerWaalsContact CA-O 3.29Å; R200-L253 WeakPolarHBondContact CA-O 3.4Å; R200-L253 WeakPolarHBondContact CG-O 3.21Å; G201-L253 PolarHBondContact N-O 3.31Å; G201-L253 PolarHBondContact O-N 3.05Å; Y203-L253 HydrophobicContact CD2-CB 3.84Å; Y203-L253 HydrophobicContact CD2-CD1 3.66Å; Y203-L253 HydrophobicContact CD2-CG 3.8Å; Y203-L253 HydrophobicContact CE2-CB 4.03Å; Y203-L253 HydrophobicContact CE2-CD1 4.13Å; Y203-L253 HydrophobicContact CE2-CG 4.41Å; Y203-L253 HydrophobicContact CG-CD1 3.9Å; Y203-L253 HydrophobicContact CG-CG 4.37Å; F205-L253 HydrophobicContact CE2-CD1 3.86Å; F205-L253 HydrophobicContact CZ-CD1 3.73Å; K225-L253 HydrophobicContact CD-CD2 3.73Å; K225-L253 HydrophobicContact CG-CD2 4.19Å; L251-L253 HydrophobicContact CB-CD2 4.07Å; L251-L253 HydrophobicContact CB-CG 4.48Å; L251-L253 HydrophobicContact CD1-CD2 4.5Å; L253-D257 WeakPolarHBondContact CA-OD2 3.47Å; L253-D257 HydrophobicContact CB-CB 4.29Å; L253-D257 HydrophobicContact CD2-CB 4.2Å; L253-V259 HydrophobicContact CD1-CG2 3.77Å; L253-V259 HydrophobicContact CD2-CG2 3.78Å; L253-V259 HydrophobicContact CG-CG2 4.47Å |
| 254 | D | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | trans | -91.7 | 158.1 | 167.7 | -82.1 | -57.7 | 0 | 0 | 0 | 111.2 | C197 R200 G256 D257 | C197-D254 VanDerWaalsContact CB-O 3.24Å; C197-D254 WeakPolarHBondContact CB-O 3.46Å; C197-D254 PolarHBondContact SG-O 3.37Å; R200-D254 VanDerWaalsContact CD-OD1 3.26Å; R200-D254 WeakPolarHBondContact CD-OD1 3.35Å; R200-D254 IonicContact CZ-OD1 2.7Å; R200-D254 IonicContact NE-OD1 2.93Å; R200-D254 IonicContact NH1-OD1 2.67Å; R200-D254 PolarHBondContact NH1-OD1 2.99Å; R200-D254 IonicContact NH1-OD2 3.74Å; D254-G256 PolarHBondContact O-N 3.44Å; D254-D257 PolarHBondContact N-OD2 2.7Å; D254-D257 VanDerWaalsContact O-CB 3.31Å; D254-D257 WeakPolarHBondContact O-CB 3.31Å; D254-D257 PolarHBondContact O-N 2.83Å | ||
| 255 | S | 97.1 | Very high | 98.4 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 57% | 0.573 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 127.6 | 174.6 | -162.8 | 0 | 0 | 0 | 0 | 109.9 | Q198 | Q198-S255 WeakPolarHBondContact CA-OG 3.4Å; Q198-S255 WeakPolarHBondContact O-CB 3.31Å; Q198-S255 PolarHBondContact O-OG 3.05Å |
| 256 | G | 97.8 | Very high | 98.2 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 60% | 0.598 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96 | -10.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C197 D254 | C197-G256 PolarHBondContact O-N 3.05Å; D254-G256 PolarHBondContact O-N 3.44Å |
| 257 | D | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -66 | 133.8 | 175.3 | -77.5 | -27.5 | 0 | 0 | 0 | 112.1 | C197 K225 N226 L253 D254 | C197-D257 HydrophobicContact CB-CB 4.07Å; C197-D257 WeakPolarHBondContact CB-O 3.45Å; C197-D257 PolarHBondContact N-O 2.93Å; K225-D257 WeakPolarHBondContact CE-OD2 3.31Å; K225-D257 IonicContact NZ-OD2 2.75Å; K225-D257 PolarHBondContact NZ-OD2 3.42Å; N226-D257 PolarHBondContact ND2-OD1 2.77Å; N226-D257 WeakPolarHBondContact OD1-CA 3.5Å; L253-D257 WeakPolarHBondContact CA-OD2 3.47Å; L253-D257 HydrophobicContact CB-CB 4.29Å; L253-D257 HydrophobicContact CD2-CB 4.2Å; D254-D257 PolarHBondContact N-OD2 2.7Å; D254-D257 VanDerWaalsContact O-CB 3.31Å; D254-D257 WeakPolarHBondContact O-CB 3.31Å; D254-D257 PolarHBondContact O-N 2.83Å | ||
| 258 | E | 98.8 | Very high | 98.1 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131 | 174.5 | -64.4 | -174.5 | 132.8 | 0 | 0 | 111 | K194 F195 K225 N226 | K194-E258 HydrophobicContact CD-CB 4.25Å; K194-E258 VanDerWaalsContact CD-CD 3.44Å; K194-E258 HydrophobicContact CD-CG 4.2Å; K194-E258 WeakPolarHBondContact CD-OE1 3.46Å; K194-E258 IonicContact NZ-OE1 2.66Å; K194-E258 PolarHBondContact NZ-OE1 3.14Å; K194-E258 IonicContact NZ-OE2 3.53Å; K194-E258 PolarHBondContact NZ-OE2 3.07Å; F195-E258 CarbonylContact O-C 3.57Å; F195-E258 WeakPolarHBondContact O-CA 3.34Å; K225-E258 WeakPolarHBondContact CA-O 3.08Å; N226-E258 PolarHBondContact N-O 2.82Å; N226-E258 PolarHBondContact OD1-N 3.36Å; N226-E258 PolarHBondContact OD1-O 2.81Å |
| 259 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.5 | 173.1 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | F195 F205 L223 C224 L253 F279 | F195-V259 HydrophobicContact CB-CB 4.45Å; F195-V259 HydrophobicContact CD1-CB 4.4Å; F195-V259 PolarHBondContact N-O 3.21Å; F195-V259 PolarHBondContact O-N 2.85Å; F205-V259 HydrophobicContact CD1-CG1 4.06Å; F205-V259 HydrophobicContact CD2-CG1 4.32Å; F205-V259 HydrophobicContact CE1-CB 4.09Å; F205-V259 HydrophobicContact CE1-CG1 3.94Å; F205-V259 HydrophobicContact CE1-CG2 4.49Å; F205-V259 HydrophobicContact CE2-CB 4.48Å; F205-V259 HydrophobicContact CE2-CG1 4.21Å; F205-V259 HydrophobicContact CE2-CG2 4.12Å; F205-V259 HydrophobicContact CG-CG1 4.25Å; F205-V259 HydrophobicContact CZ-CB 4Å; F205-V259 HydrophobicContact CZ-CG1 4.04Å; F205-V259 HydrophobicContact CZ-CG2 3.89Å; L223-V259 HydrophobicContact CD1-CG1 4.13Å; L223-V259 HydrophobicContact CD2-CG1 3.67Å; L223-V259 HydrophobicContact CG-CG1 3.9Å; C224-V259 VanDerWaalsContact O-CA 3.3Å; C224-V259 WeakPolarHBondContact O-CA 3.2Å; L253-V259 HydrophobicContact CD1-CG2 3.77Å; L253-V259 HydrophobicContact CD2-CG2 3.78Å; L253-V259 HydrophobicContact CG-CG2 4.47Å; V259-F279 HydrophobicContact CG1-CZ 4.26Å |
| 260 | Y | 98.9 | Very high | 98.1 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 168.6 | -177.3 | 59.8 | -92.5 | 0 | 0 | 0 | 112.3 | V174 K194 L223 C224 G227 | V174-Y260 HydrophobicContact CB-CD2 4.3Å; V174-Y260 HydrophobicContact CG1-CD2 4.01Å; V174-Y260 HydrophobicContact CG1-CG 4.17Å; V174-Y260 HydrophobicContact CG2-CD2 3.76Å; V174-Y260 HydrophobicContact CG2-CE2 3.9Å; V174-Y260 HydrophobicContact CG2-CG 4.25Å; K194-Y260 HydrophobicContact CD-CD1 4.21Å; K194-Y260 HydrophobicContact CG-CD1 4.15Å; K194-Y260 HydrophobicContact CG-CG 4.31Å; L223-Y260 CarbonylContact C-O 3.55Å; L223-Y260 WeakPolarHBondContact CA-O 3.4Å; C224-Y260 HydrophobicContact CB-CD1 4.5Å; C224-Y260 HydrophobicContact CB-CD2 4.06Å; C224-Y260 HydrophobicContact CB-CE1 4.13Å; C224-Y260 HydrophobicContact CB-CE2 3.64Å; C224-Y260 HydrophobicContact CB-CG 4.48Å; C224-Y260 PolarHBondContact N-O 3.23Å; C224-Y260 PolarHBondContact O-N 2.91Å; C224-Y260 VanDerWaalsContact O-N 3.1Å; G227-Y260 WeakPolarHBondContact CA-OH 3.27Å |
| 261 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 135.3 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | L175 F177 Y207 I209 A221 D222 L263 F279 | L175-V261 PolarHBondContact N-O 3.33Å; F177-V261 HydrophobicContact CE2-CB 4.21Å; F177-V261 HydrophobicContact CE2-CG2 4.27Å; F177-V261 HydrophobicContact CZ-CG2 4.49Å; Y207-V261 HydrophobicContact CD1-CG2 4.3Å; Y207-V261 HydrophobicContact CG-CG2 4.22Å; I209-V261 HydrophobicContact CD1-CG1 4.36Å; I209-V261 HydrophobicContact CG1-CG1 4.4Å; A221-V261 HydrophobicContact CB-CG1 4.19Å; D222-V261 CarbonylContact O-C 3.57Å; D222-V261 VanDerWaalsContact O-CA 3.3Å; D222-V261 WeakPolarHBondContact O-CA 3.3Å; V261-L263 HydrophobicContact CG1-CD2 4.21Å; V261-F279 HydrophobicContact CG2-CD1 4.35Å; V261-F279 HydrophobicContact CG2-CD2 4.06Å; V261-F279 HydrophobicContact CG2-CE2 4.24Å; V261-F279 HydrophobicContact CG2-CG 4.14Å; V261-F279 HydrophobicContact CG2-CZ 4.46Å |
| 262 | K | 98.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 39.1 Ų | 39.1 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.8 | 168.6 | 165.4 | 171.8 | 164.5 | 136.7 | 0 | 109.1 | G171 Y172 A221 D222 | G171-K262 WeakPolarHBondContact O-CA 3.17Å; Y172-K262 WeakPolarHBondContact O-CD 3.34Å; Y172-K262 WeakPolarHBondContact O-CE 3.33Å; Y172-K262 PolarHBondContact O-NZ 3.46Å; A221-K262 CarbonylContact C-O 3.52Å; A221-K262 WeakPolarHBondContact CA-O 3.13Å; D222-K262 PolarHBondContact N-O 3.35Å; D222-K262 PolarHBondContact O-N 2.81Å |
| 263 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 161.9 | 174.9 | -52.5 | -178.5 | 0 | 0 | 0 | 111.6 | G171 Y172 L175 I209 M211 W220 A221 V261 A268 | G171-L263 PolarHBondContact O-N 2.95Å; Y172-L263 WeakPolarHBondContact CA-O 3.41Å; L175-L263 HydrophobicContact CB-CG 4.35Å; L175-L263 HydrophobicContact CD1-CD1 4.21Å; L175-L263 HydrophobicContact CD2-CD1 4.15Å; L175-L263 HydrophobicContact CD2-CD2 4.11Å; L175-L263 HydrophobicContact CD2-CG 4.31Å; I209-L263 HydrophobicContact CG1-CD2 4.4Å; I209-L263 HydrophobicContact CG2-CD2 4.14Å; M211-L263 HydrophobicContact CE-CB 4.01Å; M211-L263 HydrophobicContact CE-CD1 4.25Å; M211-L263 HydrophobicContact CE-CD2 4.03Å; M211-L263 HydrophobicContact CE-CG 4.31Å; M211-L263 HydrophobicContact SD-CD2 4Å; W220-L263 CarbonylContact O-C 3.6Å; W220-L263 WeakPolarHBondContact O-CA 3.45Å; A221-L263 HydrophobicContact CB-CD2 3.68Å; V261-L263 HydrophobicContact CG1-CD2 4.21Å; L263-A268 HydrophobicContact CD1-CB 3.8Å |
| 264 | D | 97.5 | Very high | 97.7 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162.9 | 159.1 | -148.1 | -25.8 | 0 | 0 | 0 | 110.7 | M211 M219 W220 G266 | M211-D264 WeakPolarHBondContact CE-O 3.43Å; M219-D264 WeakPolarHBondContact CA-O 3.26Å; W220-D264 HydrophobicContact CD2-CB 4.07Å; W220-D264 VanDerWaalsContact CE2-CB 3.43Å; W220-D264 HydrophobicContact CG-CB 4.41Å; W220-D264 HydrophobicContact CH2-CB 4.42Å; W220-D264 HydrophobicContact CZ2-CB 3.63Å; W220-D264 PolarHBondContact N-O 3.46Å; W220-D264 VanDerWaalsContact N-O 3.09Å; W220-D264 PolarHBondContact O-N 3.25Å; D264-G266 PolarHBondContact O-N 3.41Å |
| 265 | G | 94.9 | Very high | 97.7 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 68.2 | -4.4 | 177 | 0 | 0 | 0 | 0 | 0 | 116.5 | G213 | G213-G265 WeakPolarHBondContact CA-O 3.37Š|
| 266 | G | 94.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 43 Ų | 43 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | -176.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R212 D264 | R212-G266 CarbonylContact O-C 3.54Å; R212-G266 WeakPolarHBondContact O-CA 3.29Å; D264-G266 PolarHBondContact O-N 3.41Å |
| 267 | K | 97 | Very high | 97.8 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 149.5 | 176.8 | 62.6 | 175.4 | 177.6 | 178.2 | 0 | 111.7 | H169 E170 M211 R212 H269 | H169-K267 WeakPolarHBondContact O-CB 3.33Å; E170-K267 HydrophobicContact CG-CB 4.34Å; M211-K267 CarbonylContact C-O 3.53Å; M211-K267 WeakPolarHBondContact CA-O 3.48Å; R212-K267 HydrophobicContact CB-CG 4.27Å; R212-K267 PolarHBondContact N-O 3.29Å; R212-K267 PolarHBondContact O-N 3.39Å; K267-H269 VanDerWaalsContact CE-NE2 3.34Å; K267-H269 WeakPolarHBondContact CE-NE2 3.49Å |
| 268 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 155.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L165 P168 H169 L175 I209 L210 L263 | L165-A268 HydrophobicContact CD2-CB 3.49Å; L165-A268 VanDerWaalsContact CD2-CB 3.49Å; P168-A268 WeakPolarHBondContact CA-O 3.49Å; P168-A268 WeakPolarHBondContact CB-O 3.49Å; H169-A268 PolarHBondContact N-O 2.87Å; H169-A268 PolarHBondContact O-N 2.74Å; L175-A268 HydrophobicContact CD1-CB 3.76Å; L175-A268 HydrophobicContact CD2-CB 3.77Å; L175-A268 HydrophobicContact CG-CB 4.45Å; I209-A268 HydrophobicContact CG2-CB 3.5Å; L210-A268 CarbonylContact O-C 3.56Å; L210-A268 WeakPolarHBondContact O-CA 3.44Å; L263-A268 HydrophobicContact CD1-CB 3.8Å |
| 269 | H | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 11% | 0.111 | 19% | 0.194 | C | C | . | . | trans | -132.7 | 121.3 | -177.8 | -82.7 | -110.2 | 0 | 0 | 0 | 112 | L210 R212 Y242 K267 S277 | L210-H269 HydrophobicContact CD2-CB 4.05Å; L210-H269 HydrophobicContact CG-CB 4.14Å; L210-H269 PolarHBondContact O-N 3.19Å; R212-H269 WeakPolarHBondContact CB-NE2 3.35Å; Y242-H269 AromaticContact CE1-CD2 3.85Å; Y242-H269 AromaticContact CE1-CE1 3.7Å; Y242-H269 AromaticContact CE1-CG 3.84Å; Y242-H269 AromaticContact CE1-ND1 3.75Å; Y242-H269 AromaticContact CE1-NE2 3.79Å; Y242-H269 AromaticContact CZ-CE1 3.95Å; Y242-H269 PolarHBondContact OH-CE1 3Å; Y242-H269 VanDerWaalsContact OH-CE1 3.29Å; K267-H269 VanDerWaalsContact CE-NE2 3.34Å; K267-H269 WeakPolarHBondContact CE-NE2 3.49Å; H269-S277 PolarHBondContact N-OG 3.4Å; H269-S277 WeakPolarHBondContact O-CB 3.46Å; H269-S277 PolarHBondContact O-N 3.25Å; H269-S277 PolarHBondContact O-OG 3.45Å | ||
| 270 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -71.5 | -29.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L165 N274 K275 Y276 | L165-G270 WeakPolarHBondContact O-CA 3.19Å; G270-N274 CarbonylContact O-C 3.58Å; G270-N274 VanDerWaalsContact O-CA 3.27Å; G270-N274 WeakPolarHBondContact O-CA 3.36Å; G270-N274 PolarHBondContact O-N 3.38Å; G270-K275 PolarHBondContact O-N 3.01Å; G270-K275 VanDerWaalsContact O-N 3.12Å; G270-Y276 PolarHBondContact O-N 3.34Å; G270-Y276 VanDerWaalsContact O-N 3.07Å | ||
| 271 | G | 96.1 | Very high | 97.8 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | trans | 84 | -166.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 272 | N | 96.4 | Very high | 97.8 | Very high | 142 Ų | 142 | 41 Ų | 41 | 76% | 0.759 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -83.8 | -13.4 | 177.3 | 62.5 | -13.2 | 0 | 0 | 0 | 113.7 | ||
| 273 | N | 97.2 | Very high | 97.8 | Very high | 75 Ų | 75 | 38.7 Ų | 38.7 | 40% | 0.401 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -121 | 4.9 | -176.4 | 65.4 | 9.2 | 0 | 0 | 0 | 113.2 | K275 | N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 WeakPolarHBondContact O-CG 3.33Å; N273-K275 PolarHBondContact O-N 3.38Å; N273-K275 PolarHBondContact O-NZ 3.47Å; N273-K275 PolarHBondContact OD1-N 3.04Å |
| 274 | N | 98.4 | Very high | 97.8 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 67.4 | 10.8 | -178.3 | -41.5 | -25.1 | 0 | 0 | 0 | 115.7 | G164 L165 K166 D179 G270 | G164-N274 CarbonylContact C-O 3.55Å; G164-N274 VanDerWaalsContact CA-O 3.28Å; G164-N274 WeakPolarHBondContact CA-O 3.43Å; L165-N274 PolarHBondContact N-O 3.38Å; L165-N274 VanDerWaalsContact N-O 3.08Å; L165-N274 CarbonylContact O-C 3.48Å; L165-N274 WeakPolarHBondContact O-CA 3.23Å; L165-N274 VanDerWaalsContact O-CB 3.24Å; L165-N274 WeakPolarHBondContact O-CB 3.33Å; K166-N274 HydrophobicContact CG-CB 4.47Å; D179-N274 HydrophobicContact CB-CB 3.89Å; D179-N274 PolarHBondContact OD1-ND2 3.19Å; D179-N274 VanDerWaalsContact OD1-ND2 3.12Å; D179-N274 WeakPolarHBondContact OD2-CB 3.34Å; G270-N274 CarbonylContact O-C 3.58Å; G270-N274 VanDerWaalsContact O-CA 3.27Å; G270-N274 WeakPolarHBondContact O-CA 3.36Å; G270-N274 PolarHBondContact O-N 3.38Å |
| 275 | K | 98.4 | Very high | 97.6 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | trans | -109.2 | 4.2 | -170.8 | -54.2 | -55.3 | 174.7 | -74.7 | 0 | 115.9 | D179 G270 N273 T278 | D179-K275 IonicContact OD2-NZ 3.54Å; D179-K275 PolarHBondContact OD2-NZ 3.37Å; G270-K275 PolarHBondContact O-N 3.01Å; G270-K275 VanDerWaalsContact O-N 3.12Å; N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 WeakPolarHBondContact O-CG 3.33Å; N273-K275 PolarHBondContact O-N 3.38Å; N273-K275 PolarHBondContact O-NZ 3.47Å; N273-K275 PolarHBondContact OD1-N 3.04Å; K275-T278 WeakPolarHBondContact O-CG2 3.44Å | ||
| 276 | Y | 98.5 | Very high | 97.7 | Very high | 101 Ų | 101 | 48 Ų | 48 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -80.2 | -38.1 | 175.5 | -64.8 | -38.5 | 0 | 0 | 0 | 113.1 | L210 Y244 G270 | L210-Y276 HydrophobicContact CD2-CD2 3.84Å; L210-Y276 HydrophobicContact CD2-CG 4Å; Y244-Y276 VanDerWaalsContact CE1-O 3.23Å; Y244-Y276 WeakPolarHBondContact CE1-O 3.3Å; Y244-Y276 PolarHBondContact OH-O 3.31Å; Y244-Y276 VanDerWaalsContact OH-O 3.13Å; G270-Y276 PolarHBondContact O-N 3.34Å; G270-Y276 VanDerWaalsContact O-N 3.07Å |
| 277 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -100 | 119.8 | 169.6 | -65.9 | 0 | 0 | 0 | 0 | 109.6 | G164 L165 H208 L210 H269 | G164-S277 WeakPolarHBondContact CA-O 3.41Å; L165-S277 PolarHBondContact N-O 2.89Å; H208-S277 CarbonylContact O-C 3.55Å; H208-S277 VanDerWaalsContact O-CA 3.31Å; H208-S277 WeakPolarHBondContact O-CA 3.36Å; L210-S277 PolarHBondContact N-OG 3.47Å; L210-S277 PolarHBondContact O-OG 3.05Å; H269-S277 PolarHBondContact N-OG 3.4Å; H269-S277 WeakPolarHBondContact O-CB 3.46Å; H269-S277 PolarHBondContact O-N 3.25Å; H269-S277 PolarHBondContact O-OG 3.45Å |
| 278 | T | 98.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.5 | -174.7 | 61.9 | 0 | 0 | 0 | 0 | 113 | Y162 V163 Y207 H208 K275 | Y162-T278 HydrophobicContact CE2-CG2 3.8Å; V163-T278 VanDerWaalsContact O-CA 3.31Å; V163-T278 WeakPolarHBondContact O-CA 3.44Å; Y207-T278 WeakPolarHBondContact CA-O 3.26Å; H208-T278 PolarHBondContact N-O 2.97Å; H208-T278 PolarHBondContact O-N 3.33Å; K275-T278 WeakPolarHBondContact O-CG2 3.44Å |
| 279 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.7 | 172 | 179.1 | -143.2 | 0 | 0 | 0 | 109.2 | F161 V163 F177 Y188 F205 T206 L223 V259 V261 | F161-F279 AromaticContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD2 4.44Å; F161-F279 AromaticContact CE2-CE1 3.78Å; F161-F279 HydrophobicContact CE2-CE1 3.78Å; F161-F279 AromaticContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CZ 4.24Å; F161-F279 AromaticContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD2 4.42Å; F161-F279 AromaticContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE2 4.12Å; F161-F279 HydrophobicContact CZ-CG 4.35Å; F161-F279 AromaticContact CZ-CZ 3.74Å; F161-F279 HydrophobicContact CZ-CZ 3.74Å; V163-F279 HydrophobicContact CG2-CB 4.02Å; V163-F279 VanDerWaalsContact CG2-O 3.29Å; V163-F279 WeakPolarHBondContact CG2-O 3.32Å; V163-F279 PolarHBondContact N-O 3.3Å; V163-F279 PolarHBondContact O-N 3.41Å; F177-F279 HydrophobicContact CD1-CB 4.25Å; F177-F279 HydrophobicContact CD2-CB 3.9Å; F177-F279 HydrophobicContact CD2-CD1 4.2Å; F177-F279 HydrophobicContact CE1-CB 3.95Å; F177-F279 HydrophobicContact CE2-CB 3.59Å; F177-F279 HydrophobicContact CE2-CD1 4.07Å; F177-F279 HydrophobicContact CE2-CG 4.15Å; F177-F279 HydrophobicContact CG-CB 4.22Å; F177-F279 HydrophobicContact CZ-CB 3.6Å; F177-F279 HydrophobicContact CZ-CG 4.5Å; Y188-F279 AromaticContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CE1 4.12Å; F205-F279 HydrophobicContact CB-CE2 4.26Å; F205-F279 AromaticContact CD1-CE2 3.96Å; F205-F279 HydrophobicContact CD1-CE2 3.96Å; F205-F279 AromaticContact CD1-CZ 3.94Å; F205-F279 HydrophobicContact CD1-CZ 3.94Å; T206-F279 WeakPolarHBondContact O-CD2 3.38Å; L223-F279 HydrophobicContact CD1-CE2 3.89Å; L223-F279 HydrophobicContact CD1-CZ 4.39Å; V259-F279 HydrophobicContact CG1-CZ 4.26Å; V261-F279 HydrophobicContact CG2-CD1 4.35Å; V261-F279 HydrophobicContact CG2-CD2 4.06Å; V261-F279 HydrophobicContact CG2-CE2 4.24Å; V261-F279 HydrophobicContact CG2-CG 4.14Å; V261-F279 HydrophobicContact CG2-CZ 4.46Å |
| 280 | S | 98.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 159.7 | 175 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | F161 F205 T206 | F161-S280 VanDerWaalsContact O-CA 3.26Å; F161-S280 WeakPolarHBondContact O-CA 3.37Å; F161-S280 WeakPolarHBondContact O-CB 3.49Å; F205-S280 WeakPolarHBondContact CA-O 3.18Å; T206-S280 VanDerWaalsContact CG2-OG 3.3Å; T206-S280 WeakPolarHBondContact CG2-OG 3.42Å; T206-S280 PolarHBondContact N-O 3.47Å; T206-S280 PolarHBondContact O-N 3.07Å |
| 281 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 162.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | A160 F161 F204 | A160-G281 CarbonylContact C-O 3.56Å; A160-G281 WeakPolarHBondContact CA-O 3.42Å; F161-G281 VanDerWaalsContact CD1-O 3.28Å; F161-G281 WeakPolarHBondContact CD1-O 3.39Å; F161-G281 VanDerWaalsContact CE1-N 3.28Å; F161-G281 PolarHBondContact N-O 2.88Å; F161-G281 PolarHBondContact O-N 3.08Å; F204-G281 CarbonylContact O-C 3.2Å; F204-G281 WeakPolarHBondContact O-CA 3.39Å |
| 282 | F | 98.8 | Very high | 97.7 | Very high | 88 Ų | 88 | 62.6 Ų | 62.6 | 39% | 0.386 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 154.8 | -179 | 53.1 | -87.6 | 0 | 0 | 0 | 111.5 | I159 A160 Y203 F204 L284 | I159-F282 VanDerWaalsContact O-CA 3.24Å; I159-F282 WeakPolarHBondContact O-CA 3.37Å; I159-F282 WeakPolarHBondContact O-CB 3.13Å; A160-F282 HydrophobicContact CB-CB 3.81Å; Y203-F282 WeakPolarHBondContact CA-O 3.39Å; F204-F282 HydrophobicContact CB-CE1 4.31Å; F204-F282 HydrophobicContact CB-CE2 4.27Å; F204-F282 HydrophobicContact CB-CZ 4.09Å; F204-F282 HydrophobicContact CD1-CD1 4.11Å; F204-F282 AromaticContact CD1-CE1 3.4Å; F204-F282 HydrophobicContact CD1-CE1 3.4Å; F204-F282 AromaticContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CE1-CE1 4.08Å; F204-F282 HydrophobicContact CG-CE1 4.19Å; F204-F282 HydrophobicContact CG-CZ 4.13Å; F204-F282 PolarHBondContact N-O 2.97Å; F204-F282 PolarHBondContact O-N 3.44Å; F282-L284 HydrophobicContact CD2-CD2 4.12Å; F282-L284 HydrophobicContact CE2-CD2 3.55Å; F282-L284 HydrophobicContact CE2-CG 4.37Å |
| 283 | L | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.1 | 171.5 | -178.7 | 70.8 | 0 | 0 | 0 | 109.1 | P157 I159 V199 Y203 Y285 P286 | P157-L283 HydrophobicContact CB-CD2 4.16Å; P157-L283 HydrophobicContact CG-CD2 3.79Å; I159-L283 HydrophobicContact CB-CB 4.06Å; I159-L283 HydrophobicContact CD1-CD2 4.43Å; I159-L283 PolarHBondContact O-N 3.47Å; V199-L283 HydrophobicContact CG1-CD2 4.41Å; Y203-L283 HydrophobicContact CD1-CB 4.08Å; Y203-L283 HydrophobicContact CD1-CD1 4.27Å; Y203-L283 HydrophobicContact CD2-CD1 4.04Å; Y203-L283 HydrophobicContact CE1-CB 3.69Å; Y203-L283 HydrophobicContact CE1-CD1 3.85Å; Y203-L283 HydrophobicContact CE1-CG 4.37Å; Y203-L283 HydrophobicContact CE2-CD1 3.62Å; Y203-L283 HydrophobicContact CG-CD1 4.36Å; L283-Y285 WeakPolarHBondContact CD1-O 3.46Å; L283-P286 HydrophobicContact CD2-CB 4.24Å |
| 284 | L | 97.7 | Very high | 97.8 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -55.3 | 168.9 | -69.6 | 172 | 0 | 0 | 0 | 110 | I202 F204 V250 F282 | I202-L284 HydrophobicContact CG2-CB 4.39Å; I202-L284 HydrophobicContact CG2-CD1 4.08Å; I202-L284 WeakPolarHBondContact O-CB 3.44Å; I202-L284 PolarHBondContact O-N 3.47Å; F204-L284 HydrophobicContact CB-CD1 4.13Å; F204-L284 HydrophobicContact CB-CG 4.28Å; V250-L284 HydrophobicContact CG1-CD1 4.23Å; V250-L284 HydrophobicContact CG2-CD1 4.45Å; F282-L284 HydrophobicContact CD2-CD2 4.12Å; F282-L284 HydrophobicContact CE2-CD2 3.55Å; F282-L284 HydrophobicContact CE2-CG 4.37Å |
| 285 | Y | 94.4 | Very high | 97.7 | Very high | 159 Ų | 159 | 57.4 Ų | 57.4 | 62% | 0.624 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 125.2 | -176.8 | -48.3 | -66.4 | 0 | 0 | 0 | 109.5 | G201 I202 L283 | G201-Y285 CarbonylContact C-O 3.6Å; G201-Y285 VanDerWaalsContact CA-O 3.29Å; G201-Y285 WeakPolarHBondContact CA-O 3.34Å; I202-Y285 HydrophobicContact CB-CD2 4.38Å; I202-Y285 PolarHBondContact N-O 2.94Å; I202-Y285 PolarHBondContact O-N 2.81Å; L283-Y285 WeakPolarHBondContact CD1-O 3.46Å |
| 286 | P | 96.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 56 Ų | 56 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 153.2 | 162.8 | 31.1 | -33.2 | 0 | 0 | 0 | 110.1 | P157 V199 L283 | P157-P286 HydrophobicContact CG-CB 3.93Å; P157-P286 HydrophobicContact CG-CG 4.06Å; V199-P286 HydrophobicContact CG1-CB 4.11Å; L283-P286 HydrophobicContact CD2-CB 4.24Å |
| 287 | D | 93.6 | Very high | 97.6 | Very high | 136 Ų | 136 | 51.9 Ų | 51.9 | 73% | 0.727 | 26% | 0.259 | S | S | * | . | trans | -72.8 | 0 | 169.4 | -84 | 36.9 | 0 | 0 | 0 | 112.3 | R200 G201 H252 | R200-D287 HydrophobicContact CG-CB 4.14Å; R200-D287 IonicContact CZ-OD2 2.77Å; R200-D287 IonicContact NE-OD2 2.65Å; R200-D287 PolarHBondContact NE-OD2 2.88Å; R200-D287 IonicContact NH2-OD2 2.95Å; R200-D287 PolarHBondContact NH2-OD2 3.35Å; R200-D287 PolarHBondContact O-N 3.17Å; R200-D287 VanDerWaalsContact O-N 3.08Å; G201-D287 WeakPolarHBondContact CA-OD1 3.48Å; H252-D287 IonicContact CD2-OD1 2.62Å; H252-D287 PolarHBondContact CD2-OD1 3.23Å; H252-D287 IonicContact CD2-OD2 3.16Å; H252-D287 IonicContact CE1-OD2 3.96Å; H252-D287 VanDerWaalsContact NE2-CG 3.31Å; H252-D287 IonicContact NE2-OD1 3.46Å; H252-D287 PolarHBondContact NE2-OD1 3.37Å; H252-D287 IonicContact NE2-OD2 3.77Å; H252-D287 PolarHBondContact NE2-OD2 3.13Å |
Retrieved 287 of 287 residues in 62 ms
(Link to these results)