| 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 | 39.5 | Very low | 38.6 | Very low | 237 Ų | 237 | 161 Ų | 161 | 100% | 1.167 | 87% | 0.873 | S | S | * | * | 0 | 119.3 | 0 | -86.7 | 169.6 | 156.4 | 0 | 0 | 107.1 | |||||
| 2 | T | 42.7 | Very low | 38.3 | Very low | 146 Ų | 146 | 156.3 Ų | 156.3 | 90% | 0.896 | 86% | 0.861 | S | S | * | * | trans | 53.6 | 101 | 170.4 | 34.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3 | A | 36 | Very low | 38.6 | Very low | 93 Ų | 93 | 154.9 Ų | 154.9 | 77% | 0.769 | 85% | 0.851 | S | S | * | * | trans | -72.9 | 155.2 | 161 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 4 | M | 45 | Very low | 38.8 | Very low | 197 Ų | 197 | 156.9 Ų | 156.9 | 97% | 0.97 | 85% | 0.851 | S | S | * | * | trans | -160.7 | 114.6 | 141.4 | -106.1 | 168.3 | 164.3 | 0 | 0 | 109.6 | ||||
| 5 | E | 38.9 | Very low | 39.5 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 85% | 0.85 | 84% | 0.841 | S | S | * | * | trans | -70.4 | 140.5 | 169.5 | -107.8 | 163.7 | 104.7 | 0 | 0 | 110.4 | ||||
| 6 | E | 41.2 | Very low | 40.1 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -152.2 | 130.7 | 144.9 | -138.6 | 170.8 | -173 | 0 | 0 | 111.2 | ||||
| 7 | S | 36.9 | Very low | 40.8 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 84% | 0.836 | S | S | * | * | trans | -90.3 | 130.4 | -163.2 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | Q | 36.8 | Very low | 42.1 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -105.8 | 110.7 | 161.4 | -85.6 | -179.5 | -11.9 | 0 | 0 | 109.1 | ||||
| 9 | S | 38.7 | Very low | 42.9 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -90.8 | 115.4 | 170.1 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | I11 | S9-I11 PolarHBondContact O-N 3.2Š| ||
| 10 | D | 32.9 | Very low | 43.5 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -52.6 | 125.7 | 162.7 | -85 | -47.4 | 0 | 0 | 0 | 111.5 | ||||
| 11 | I | 36.2 | Very low | 44.6 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | trans | -119 | 89.7 | 155.8 | -74.8 | 171 | 0 | 0 | 0 | 106.8 | S9 L13 | S9-I11 PolarHBondContact O-N 3.2Å; I11-L13 HydrophobicContact CG2-CD1 3.85Å; I11-L13 HydrophobicContact CG2-CG 3.8Å | ||
| 12 | S | 34.6 | Very low | 45.8 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -72.7 | 114.5 | 161.1 | -175.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 13 | L | 42.1 | Very low | 47.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | -117.2 | 70.5 | 168 | -79.1 | 169.9 | 0 | 0 | 0 | 108.9 | I11 L15 | I11-L13 HydrophobicContact CG2-CD1 3.85Å; I11-L13 HydrophobicContact CG2-CG 3.8Å; L13-L15 HydrophobicContact CD2-CD1 4.27Å | ||
| 14 | E | 41.6 | Very low | 49 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -78.7 | 104.6 | 152 | -79.4 | -157.9 | 152.5 | 0 | 0 | 108.4 | ||||
| 15 | L | 49.2 | Very low | 50.5 | Low | 135 Ų | 135 | 131.3 Ų | 131.3 | 71% | 0.707 | 71% | 0.71 | S | S | * | * | trans | -127.9 | 128.4 | 162 | -86.9 | 158 | 0 | 0 | 0 | 108.3 | L13 L17 | L13-L15 HydrophobicContact CD2-CD1 4.27Å; L15-L17 PolarHBondContact O-N 3.32Å | ||
| 16 | P | 49 | Very low | 52.1 | Low | 107 Ų | 107 | 130.7 Ų | 130.7 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | -69.5 | 127.7 | -170.6 | 28.1 | -32.5 | 0 | 0 | 0 | 110.3 | S18 | P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 2.91Å | ||
| 17 | L | 52.1 | Low | 53.8 | Low | 173 Ų | 173 | 129.4 Ų | 129.4 | 91% | 0.906 | 69% | 0.691 | S | S | * | * | trans | -61.7 | 90.1 | 170.4 | -76.4 | 157.7 | 0 | 0 | 0 | 109.5 | L15 | L15-L17 PolarHBondContact O-N 3.32Š| ||
| 18 | S | 64.6 | Low | 55.7 | Low | 60 Ų | 60 | 130.9 Ų | 130.9 | 42% | 0.42 | 69% | 0.69 | S | S | . | * | trans | -100.7 | 155.1 | 166.5 | 89.2 | 0 | 0 | 0 | 0 | 109.6 | P16 E20 T21 | P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 2.91Å; S18-E20 PolarHBondContact O-N 3.4Å; S18-E20 PolarHBondContact OG-N 3.41Å; S18-T21 PolarHBondContact N-OG1 3.21Å; S18-T21 WeakPolarHBondContact O-CB 3.4Å; S18-T21 PolarHBondContact O-N 3.08Å; S18-T21 PolarHBondContact O-OG1 2.68Å; S18-T21 PolarHBondContact OG-OG1 3.14Å | ||
| 19 | Q | 56.9 | Low | 57 | Low | 188 Ų | 188 | 126.4 Ų | 126.4 | 88% | 0.879 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -21.4 | 178.7 | -168.8 | 174.8 | 10.8 | 0 | 0 | 112.7 | ||
| 20 | E | 55.7 | Low | 58.3 | Low | 171 Ų | 171 | 126.8 Ų | 126.8 | 80% | 0.799 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -29.7 | 177.9 | -57.4 | -170.5 | 165.2 | 0 | 0 | 112.6 | S18 F22 | S18-E20 PolarHBondContact O-N 3.4Å; S18-E20 PolarHBondContact OG-N 3.41Å; E20-F22 PolarHBondContact O-N 2.83Å |
| 21 | T | 67 | Low | 59.4 | Low | 63 Ų | 63 | 125 Ų | 125 | 39% | 0.387 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.2 | -23.4 | 178.9 | -30.5 | 0 | 0 | 0 | 0 | 112.2 | S18 S23 G24 L25 | S18-T21 PolarHBondContact N-OG1 3.21Å; S18-T21 WeakPolarHBondContact O-CB 3.4Å; S18-T21 PolarHBondContact O-N 3.08Å; S18-T21 PolarHBondContact O-OG1 2.68Å; S18-T21 PolarHBondContact OG-OG1 3.14Å; T21-S23 PolarHBondContact O-N 2.86Å; T21-G24 PolarHBondContact O-N 3.09Å; T21-L25 PolarHBondContact O-N 3.32Å |
| 22 | F | 63.4 | Low | 59.8 | Low | 124 Ų | 124 | 126.2 Ų | 126.2 | 54% | 0.544 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68.7 | -34.7 | -177.8 | -154.2 | -95.5 | 0 | 0 | 0 | 113 | E20 G24 L25 W26 | E20-F22 PolarHBondContact O-N 2.83Å; F22-G24 VanDerWaalsContact C-N 3.29Å; F22-G24 PolarHBondContact O-N 3.28Å; F22-L25 PolarHBondContact O-N 2.86Å; F22-W26 HydrophobicContact CD1-CE3 4.09Å; F22-W26 HydrophobicContact CE1-CD2 4.25Å; F22-W26 AromaticContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CH2 4.49Å; F22-W26 AromaticContact CE1-CZ3 3.46Å; F22-W26 HydrophobicContact CE1-CZ3 3.46Å; F22-W26 VanDerWaalsContact CE1-CZ3 3.46Å; F22-W26 AromaticContact CZ-CE3 3.78Å; F22-W26 HydrophobicContact CZ-CE3 3.78Å; F22-W26 AromaticContact CZ-CZ3 3.58Å; F22-W26 HydrophobicContact CZ-CZ3 3.58Å; F22-W26 PolarHBondContact O-N 3.28Å |
| 23 | S | 72.5 | Confident | 60 | Low | 73 Ų | 73 | 128.9 Ų | 128.9 | 51% | 0.51 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66.4 | -33.6 | 178 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | T21 K27 | T21-S23 PolarHBondContact O-N 2.86Å; S23-K27 WeakPolarHBondContact O-CG 3.45Å; S23-K27 PolarHBondContact O-N 2.8Å |
| 24 | G | 74 | Confident | 59.8 | Low | 42 Ų | 42 | 129.5 Ų | 129.5 | 43% | 0.433 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -67 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T21 F22 W26 K27 | T21-G24 PolarHBondContact O-N 3.09Å; F22-G24 VanDerWaalsContact C-N 3.29Å; F22-G24 PolarHBondContact O-N 3.28Å; G24-W26 VanDerWaalsContact C-N 3.34Å; G24-W26 PolarHBondContact O-N 2.97Å; G24-K27 PolarHBondContact O-N 2.75Å |
| 25 | L | 75.3 | Confident | 59.6 | Low | 98 Ų | 98 | 128.1 Ų | 128.1 | 51% | 0.513 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -63.7 | -37.4 | 177.1 | -79.8 | 167.3 | 0 | 0 | 0 | 112.7 | T21 F22 K27 L28 | T21-L25 PolarHBondContact O-N 3.32Å; F22-L25 PolarHBondContact O-N 2.86Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 2.68Å; L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 PolarHBondContact O-N 2.81Å; L25-L28 VanDerWaalsContact O-N 3.16Å |
| 26 | W | 72.5 | Confident | 59 | Low | 169 Ų | 169 | 127 Ų | 127 | 64% | 0.64 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.3 | -29.3 | 179.9 | -146.4 | -96.9 | 0 | 0 | 0 | 113.3 | F22 G24 L28 L29 | F22-W26 HydrophobicContact CD1-CE3 4.09Å; F22-W26 HydrophobicContact CE1-CD2 4.25Å; F22-W26 AromaticContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CH2 4.49Å; F22-W26 AromaticContact CE1-CZ3 3.46Å; F22-W26 HydrophobicContact CE1-CZ3 3.46Å; F22-W26 VanDerWaalsContact CE1-CZ3 3.46Å; F22-W26 AromaticContact CZ-CE3 3.78Å; F22-W26 HydrophobicContact CZ-CE3 3.78Å; F22-W26 AromaticContact CZ-CZ3 3.58Å; F22-W26 HydrophobicContact CZ-CZ3 3.58Å; F22-W26 PolarHBondContact O-N 3.28Å; G24-W26 VanDerWaalsContact C-N 3.34Å; G24-W26 PolarHBondContact O-N 2.97Å; W26-L28 VanDerWaalsContact C-N 3.3Å; W26-L29 HydrophobicContact CD2-CD1 4.38Å; W26-L29 HydrophobicContact CE3-CD1 4.4Å |
| 27 | K | 77.1 | Confident | 58.3 | Low | 173 Ų | 173 | 126.1 Ų | 126.1 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -13.4 | 175.5 | -70 | -178.5 | -175.9 | -177.6 | 0 | 113.8 | S23 G24 L25 L29 | S23-K27 WeakPolarHBondContact O-CG 3.45Å; S23-K27 PolarHBondContact O-N 2.8Å; G24-K27 PolarHBondContact O-N 2.75Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 2.68Å; K27-L29 VanDerWaalsContact C-N 3.34Å |
| 28 | L | 77.1 | Confident | 57.5 | Low | 137 Ų | 137 | 123 Ų | 123 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -6.5 | 177.2 | -68.3 | 169.9 | 0 | 0 | 0 | 112.7 | L25 W26 | L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 PolarHBondContact O-N 2.81Å; L25-L28 VanDerWaalsContact O-N 3.16Å; W26-L28 VanDerWaalsContact C-N 3.3Å |
| 29 | L | 63.6 | Low | 56.2 | Low | 106 Ų | 106 | 128 Ų | 128 | 56% | 0.555 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -77.8 | 130 | 173.9 | -66.7 | 173.5 | 0 | 0 | 0 | 109.6 | W26 K27 | W26-L29 HydrophobicContact CD2-CD1 4.38Å; W26-L29 HydrophobicContact CE3-CD1 4.4Å; K27-L29 VanDerWaalsContact C-N 3.34Å |
| 30 | P | 66.1 | Low | 55 | Low | 115 Ų | 115 | 124.7 Ų | 124.7 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.6 | 176.9 | -5.8 | 10.1 | 0 | 0 | 0 | 110.8 | E32 | P30-E32 PolarHBondContact O-N 2.92Š|
| 31 | P | 57 | Low | 54 | Low | 122 Ų | 122 | 123.3 Ų | 123.3 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.2 | 173.9 | 26.4 | -26.5 | 0 | 0 | 0 | 109.6 | ||
| 32 | E | 45.1 | Very low | 52.6 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | 27.6 | 99.9 | 160.3 | -64.2 | -115.3 | 135.5 | 0 | 0 | 116.9 | P30 | P30-E32 PolarHBondContact O-N 2.92Š| ||
| 33 | D | 38.6 | Very low | 51.3 | Low | 160 Ų | 160 | 128.3 Ų | 128.3 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | trans | -135.1 | 139.7 | 145.3 | -100.4 | -37.2 | 0 | 0 | 0 | 108.3 | ||||
| 34 | I | 37.2 | Very low | 49.6 | Very low | 152 Ų | 152 | 133 Ų | 133 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | 90 | 65.5 | 176.4 | -39.4 | 157.7 | 0 | 0 | 0 | 114.8 | P36 | I34-P36 HydrophobicContact CG2-CG 4.2Å; I34-P36 WeakPolarHBondContact O-CD 3.47Å | ||
| 35 | L | 37.8 | Very low | 47.9 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 118.7 | 135.4 | -79.4 | 167.9 | 0 | 0 | 0 | 108.3 | ||
| 36 | P | 36.5 | Very low | 45.9 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 123.5 | 157.2 | 1.1 | 18.2 | 0 | 0 | 0 | 108.1 | I34 | I34-P36 HydrophobicContact CG2-CG 4.2Å; I34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 37 | S | 34.6 | Very low | 44.3 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 151.4 | 171.1 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | H39 | S37-H39 PolarHBondContact O-N 3.48Š|
| 38 | P | 35 | Very low | 42.4 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -83.4 | 67.8 | -179.9 | 35.5 | -33.1 | 0 | 0 | 0 | 109.9 | ||
| 39 | H | 36.6 | Very low | 40.5 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -153.1 | 83.5 | 173.2 | -78.3 | -68.8 | 0 | 0 | 0 | 111.3 | S37 | S37-H39 PolarHBondContact O-N 3.48Š| ||
| 40 | C | 32.5 | Very low | 39.2 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -162.7 | 87.3 | 147.8 | -168.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 41 | M | 35.8 | Very low | 38 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 70% | 0.7 | 79% | 0.794 | S | S | * | * | trans | -98.2 | 146.2 | 159.8 | 3.9 | -101.5 | 75.5 | 0 | 0 | 105.2 | ||||
| 42 | D | 35.6 | Very low | 37 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 79.5 | 104 | 178.5 | -61.3 | -49.8 | 0 | 0 | 0 | 116.4 | ||
| 43 | D | 36.1 | Very low | 36.5 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | 138.5 | 94.9 | 142.5 | -90.4 | -31 | 0 | 0 | 0 | 109.8 | ||||
| 44 | L | 38.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -165.9 | 77.9 | 140.8 | -82 | -160.2 | 0 | 0 | 0 | 109 | ||||
| 45 | L | 36.9 | Very low | 36.3 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 23 | 115.6 | 135.4 | -58.8 | 173.2 | 0 | 0 | 0 | 118.8 | ||||
| 46 | L | 34.1 | Very low | 36.1 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -62.8 | 142.3 | 156.9 | -77.1 | 152.1 | 0 | 0 | 0 | 111.4 | ||||
| 47 | P | 39.2 | Very low | 36.1 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 114.3 | 152.3 | -7.7 | 26.1 | 0 | 0 | 0 | 109.9 | ||||
| 48 | Q | 36.2 | Very low | 36.3 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -68.6 | 136 | 154.4 | -76.8 | 172.1 | -16.2 | 0 | 0 | 108 | ||||
| 49 | D | 36.7 | Very low | 36.5 | Very low | 157 Ų | 157 | 154 Ų | 154 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -176 | 96.3 | 149.3 | -90.8 | -24.5 | 0 | 0 | 0 | 108.8 | ||||
| 50 | V | 37.4 | Very low | 36.6 | Very low | 149 Ų | 149 | 150 Ų | 150 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | trans | -165.3 | 88.2 | 150 | -106.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 51 | E | 40 | Very low | 36.8 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -124.1 | 132.6 | 152.9 | -78.8 | -158.5 | 155.8 | 0 | 0 | 109.4 | ||||
| 52 | E | 36.1 | Very low | 37 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 60.4 | 109.7 | 152.2 | -64.8 | -175.3 | 149.2 | 0 | 0 | 119 | ||||
| 53 | F | 34.7 | Very low | 37.3 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | -168.6 | 108.7 | 102.3 | -121 | -104.2 | 0 | 0 | 0 | 110.7 | |||||
| 54 | F | 34 | Very low | 37.2 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | trans | -80.3 | 128.1 | 154.5 | -94.2 | -100.7 | 0 | 0 | 0 | 107.4 | ||||
| 55 | E | 37.4 | Very low | 37.1 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | 173.2 | 149.2 | 127.8 | -97 | -179.2 | 166.1 | 0 | 0 | 112 | |||||
| 56 | G | 33.9 | Very low | 37.4 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -83.4 | -168.3 | -161 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 57 | P | 37.1 | Very low | 37.8 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -110.4 | 158.4 | -143.8 | 39.2 | -31.6 | 0 | 0 | 0 | 114.8 | ||||
| 58 | S | 38.5 | Very low | 38 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -164.1 | 125.9 | 149.1 | -90.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 59 | E | 39.1 | Very low | 38.3 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 38.9 | 125.2 | 139.4 | -56.7 | -155.9 | 135.9 | 0 | 0 | 121.6 | ||||
| 60 | A | 37.8 | Very low | 38.6 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 66% | 0.661 | 82% | 0.818 | S | S | * | * | 137.5 | 121.8 | 107.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 61 | L | 37.5 | Very low | 39 | Very low | 132 Ų | 132 | 141 Ų | 141 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | 76.5 | 110.3 | 138.4 | -61.7 | 162.1 | 0 | 0 | 0 | 118.7 | ||||
| 62 | R | 39.7 | Very low | 39.2 | Very low | 223 Ų | 223 | 137.3 Ų | 137.3 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | 78 | 141 | 103.3 | -72.5 | -169.5 | -174.5 | 166.8 | 1 | 113.3 | |||||
| 63 | V | 42.3 | Very low | 39.6 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | cis | -172.9 | 144.8 | 8.1 | 132.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 64 | S | 34.7 | Very low | 39.8 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 37.2 | 133 | 150.1 | -58.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 65 | G | 36.7 | Very low | 40.4 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -174.3 | 109.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 66 | A | 43 | Very low | 40.5 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 171.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 67 | P | 42.3 | Very low | 41.3 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -107.1 | 174.8 | -148.8 | 40.7 | -33.7 | 0 | 0 | 0 | 115.5 | ||||
| 68 | A | 42.7 | Very low | 42.2 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -146 | 110.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 69 | A | 43.7 | Very low | 42.7 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | 10.4 | 124.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 70 | Q | 42 | Very low | 43.3 | Very low | 197 Ų | 197 | 125.9 Ų | 125.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | -155.9 | 116.5 | 126.2 | -64.5 | -164.1 | -24.3 | 0 | 0 | 109.8 | |||||
| 71 | D | 45.5 | Very low | 43.9 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -93.3 | 173.4 | 164.4 | -82.1 | -43.9 | 0 | 0 | 0 | 109.2 | ||||
| 72 | P | 44.4 | Very low | 44.6 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | -136.2 | 161.2 | -47.4 | 37.5 | -21.5 | 0 | 0 | 0 | 111.7 | ||||
| 73 | V | 43.9 | Very low | 44.9 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -133.9 | 104.5 | 155.5 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | E75 | V73-E75 HydrophobicContact CG1-CG 4.3Å; V73-E75 PolarHBondContact O-N 2.89Å | ||
| 74 | T | 39.7 | Very low | 45.1 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -82.4 | 104 | 171.9 | -57.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 75 | E | 46.2 | Very low | 45.9 | Very low | 172 Ų | 172 | 118.2 Ų | 118.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -98.5 | 115.9 | 161 | -74.6 | -172.4 | 165.9 | 0 | 0 | 109.3 | V73 | V73-E75 HydrophobicContact CG1-CG 4.3Å; V73-E75 PolarHBondContact O-N 2.89Å | ||
| 76 | T | 40.7 | Very low | 46.4 | Very low | 127 Ų | 127 | 120 Ų | 120 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 122.5 | 175.8 | -40 | 0 | 0 | 0 | 0 | 110.2 | G78 | T76-G78 PolarHBondContact O-N 2.89Š|
| 77 | P | 49.7 | Very low | 47.1 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76 | 125.6 | 172.4 | -8.1 | 24.6 | 0 | 0 | 0 | 109.8 | ||
| 78 | G | 56.4 | Low | 47.9 | Very low | 55 Ų | 55 | 122.6 Ų | 122.6 | 57% | 0.567 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61 | 168.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T76 V80 | T76-G78 PolarHBondContact O-N 2.89Å; G78-V80 PolarHBondContact O-N 2.82Å; G78-V80 VanDerWaalsContact O-N 3.13Å |
| 79 | P | 49.8 | Very low | 48.8 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 116.5 | -168.3 | 26.7 | -32.4 | 0 | 0 | 0 | 110.9 | A81 | P79-A81 PolarHBondContact O-N 2.85Š|
| 80 | V | 50.6 | Low | 49.7 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.4 | 174 | -179 | 0 | 0 | 0 | 0 | 108.5 | G78 | G78-V80 PolarHBondContact O-N 2.82Å; G78-V80 VanDerWaalsContact O-N 3.13Å |
| 81 | A | 50.7 | Low | 50.9 | Low | 79 Ų | 79 | 112.7 Ų | 112.7 | 65% | 0.653 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 142.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P79 A83 | P79-A81 PolarHBondContact O-N 2.85Å; A81-A83 PolarHBondContact O-N 2.65Å; A81-A83 VanDerWaalsContact O-N 3.13Å |
| 82 | P | 51.5 | Low | 51.7 | Low | 127 Ų | 127 | 110 Ų | 110 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121.9 | -177 | 24.9 | -31.5 | 0 | 0 | 0 | 109.5 | ||
| 83 | A | 47.3 | Very low | 53.5 | Low | 88 Ų | 88 | 111.6 Ų | 111.6 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A81 A85 | A81-A83 PolarHBondContact O-N 2.65Å; A81-A83 VanDerWaalsContact O-N 3.13Å; A83-A85 PolarHBondContact O-N 2.83Å |
| 84 | P | 46.5 | Very low | 55.7 | Low | 122 Ų | 122 | 108.3 Ų | 108.3 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 133.3 | 177.7 | 22.6 | -31.3 | 0 | 0 | 0 | 109.7 | T86 | P84-T86 PolarHBondContact O-N 2.83Å; P84-T86 VanDerWaalsContact O-N 3.08Å |
| 85 | A | 50.8 | Low | 58.2 | Low | 98 Ų | 98 | 104.1 Ų | 104.1 | 81% | 0.81 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -51 | 118.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A83 | A83-A85 PolarHBondContact O-N 2.83Š|
| 86 | T | 46.7 | Very low | 60.4 | Low | 119 Ų | 119 | 98.8 Ų | 98.8 | 73% | 0.73 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125.3 | -178.7 | -30.2 | 0 | 0 | 0 | 0 | 108.9 | P84 W88 | P84-T86 PolarHBondContact O-N 2.83Å; P84-T86 VanDerWaalsContact O-N 3.08Å; T86-W88 PolarHBondContact O-N 2.78Å |
| 87 | P | 59 | Low | 62.9 | Low | 119 Ų | 119 | 96.8 Ų | 96.8 | 77% | 0.773 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.3 | 175.3 | -16.3 | 27.8 | 0 | 0 | 0 | 108.4 | ||
| 88 | W | 58.9 | Low | 65 | Low | 167 Ų | 167 | 98.7 Ų | 98.7 | 63% | 0.633 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142.2 | 177.7 | -64.3 | 100.2 | 0 | 0 | 0 | 110.2 | T86 L90 | T86-W88 PolarHBondContact O-N 2.78Å; W88-L90 PolarHBondContact O-N 2.93Å |
| 89 | P | 60.3 | Low | 66.9 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 41% | 0.409 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 130.3 | -177.6 | 24.3 | -32.9 | 0 | 0 | 0 | 110.2 | F209 | P89-F209 HydrophobicContact CB-CD2 4.43Å; P89-F209 HydrophobicContact CB-CE2 4.39Å; P89-F209 HydrophobicContact CG-CD2 4.01Å; P89-F209 HydrophobicContact CG-CE2 4.17Å; P89-F209 HydrophobicContact CG-CG 4.45Å |
| 90 | L | 63.7 | Low | 69.1 | Low | 121 Ų | 121 | 98.1 Ų | 98.1 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.8 | 170.1 | -63.3 | 176.7 | 0 | 0 | 0 | 108.4 | W88 S92 E168 | W88-L90 PolarHBondContact O-N 2.93Å; L90-S92 PolarHBondContact O-N 2.83Å; L90-E168 HydrophobicContact CD2-CG 3.73Å |
| 91 | S | 65.8 | Low | 71.3 | Confident | 3 Ų | 3 | 96.9 Ų | 96.9 | 2% | 0.021 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -78.5 | 122.1 | 173.3 | -164.1 | 0 | 0 | 0 | 0 | 108.7 | F93 T167 T208 | S91-F93 PolarHBondContact O-N 3.44Å; S91-F93 PolarHBondContact OG-O 3.11Å; S91-T167 WeakPolarHBondContact CA-O 3.36Å; S91-T167 VanDerWaalsContact CB-O 3.23Å; S91-T167 WeakPolarHBondContact CB-O 3.47Å; S91-T167 PolarHBondContact N-O 3.44Å; S91-T167 VanDerWaalsContact O-CB 3.31Å; S91-T167 WeakPolarHBondContact O-CB 3.41Å; S91-T208 WeakPolarHBondContact CB-O 3.44Å; S91-T208 WeakPolarHBondContact OG-CA 3.2Å; S91-T208 WeakPolarHBondContact OG-CB 3.37Å; S91-T208 PolarHBondContact OG-O 2.82Å |
| 92 | S | 62.3 | Low | 73.4 | Confident | 103 Ų | 103 | 94.1 Ų | 94.1 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -68.5 | -18.7 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | L90 | L90-S92 PolarHBondContact O-N 2.83Š|
| 93 | F | 82.7 | Confident | 75.5 | Confident | 135 Ų | 135 | 95 Ų | 95 | 59% | 0.592 | 54% | 0.54 | S | S | * | . | trans | -107.7 | 124.7 | -178.3 | -67.8 | -84.4 | 0 | 0 | 0 | 112.1 | S91 T208 R210 | S91-F93 PolarHBondContact O-N 3.44Å; S91-F93 PolarHBondContact OG-O 3.11Å; F93-T208 HydrophobicContact CB-CG2 4.02Å; F93-T208 HydrophobicContact CD2-CG2 4.43Å; F93-R210 PolarHBondContact O-NE 3.06Å; F93-R210 PolarHBondContact O-NH2 3.28Å | ||
| 94 | V | 89.9 | Confident | 77.8 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 38% | 0.376 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 118.5 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | M166 T167 | V94-M166 HydrophobicContact CG1-CB 3.99Å; V94-M166 HydrophobicContact CG1-CE 3.93Å; V94-M166 HydrophobicContact CG2-CB 4.09Å; V94-T167 HydrophobicContact CG2-CG2 3.88Å |
| 95 | P | 92.2 | Very high | 80.2 | Confident | 38 Ų | 38 | 87.9 Ų | 87.9 | 25% | 0.247 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 144.7 | 177.9 | 28.9 | -36 | 0 | 0 | 0 | 110.2 | Q97 M157 I159 I251 | P95-Q97 PolarHBondContact O-N 2.95Å; P95-M157 HydrophobicContact CB-SD 4.36Å; P95-M157 HydrophobicContact CG-SD 3.9Å; P95-I159 HydrophobicContact CG-CG2 3.49Å; P95-I159 VanDerWaalsContact CG-CG2 3.49Å; P95-I251 HydrophobicContact CB-CD1 4.29Å; P95-I251 HydrophobicContact CG-CD1 4.03Å |
| 96 | S | 93.1 | Very high | 82.4 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 131.1 | 179.5 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | K98 R264 | S96-K98 PolarHBondContact OG-N 3.14Å; S96-R264 WeakPolarHBondContact O-CD 3.33Å; S96-R264 PolarHBondContact O-NE 3.38Å; S96-R264 VanDerWaalsContact O-NE 3.15Å; S96-R264 PolarHBondContact OG-NH2 3.1Å |
| 97 | Q | 92.3 | Very high | 84.8 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | trans | -95.6 | 5.6 | 173.4 | 66.1 | -174.8 | 11.5 | 0 | 0 | 113.2 | P95 T99 I159 L249 I251 | P95-Q97 PolarHBondContact O-N 2.95Å; Q97-T99 PolarHBondContact O-N 2.82Å; Q97-I159 HydrophobicContact CB-CD1 4.5Å; Q97-L249 HydrophobicContact CB-CD2 3.54Å; Q97-L249 HydrophobicContact CG-CD2 4.42Å; Q97-I251 HydrophobicContact CB-CD1 4.36Å | ||
| 98 | K | 94.3 | Very high | 86.6 | Confident | 159 Ų | 159 | 76 Ų | 76 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | trans | -71.8 | 120.1 | -176.3 | -175.7 | 179 | -179.6 | -179.5 | 0 | 109.8 | S96 Y100 R264 | S96-K98 PolarHBondContact OG-N 3.14Å; K98-Y100 PolarHBondContact O-N 2.57Å; K98-R264 PolarHBondContact O-NE 3.41Å; K98-R264 PolarHBondContact O-NH2 2.76Å | ||
| 99 | T | 96.5 | Very high | 88.4 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | trans | -54.7 | 129.5 | 172 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | Q97 R264 D265 | Q97-T99 PolarHBondContact O-N 2.82Å; T99-R264 WeakPolarHBondContact CA-O 3.41Å; T99-D265 WeakPolarHBondContact CG2-OD1 3.48Å; T99-D265 PolarHBondContact OG1-OD1 3.48Å | ||
| 100 | Y | 97.1 | Very high | 90.1 | Very high | 101 Ų | 101 | 67 Ų | 67 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -144.2 | 101.9 | -178.6 | 171.3 | -116.2 | 0 | 0 | 0 | 107.9 | K98 G102 L261 G263 R264 | K98-Y100 PolarHBondContact O-N 2.57Å; Y100-G102 PolarHBondContact O-N 3.17Å; Y100-L261 HydrophobicContact CD1-CD2 3.96Å; Y100-L261 HydrophobicContact CD1-CG 4.32Å; Y100-L261 HydrophobicContact CE1-CD2 4.42Å; Y100-G263 CarbonylContact O-C 3.52Å; Y100-G263 WeakPolarHBondContact O-CA 3.18Å; Y100-R264 CarbonylContact C-O 3.59Å; Y100-R264 PolarHBondContact N-O 3.09Å; Y100-R264 PolarHBondContact O-N 3.25Å |
| 101 | Q | 96.7 | Very high | 91.5 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | trans | -68.6 | -23.4 | -178.2 | -64.9 | -178.1 | -24.1 | 0 | 0 | 112.9 | G105 F106 | Q101-G105 PolarHBondContact O-N 3.43Å; Q101-F106 WeakPolarHBondContact CA-O 3.2Å; Q101-F106 WeakPolarHBondContact O-CB 3.39Å; Q101-F106 PolarHBondContact O-N 2.8Å | ||
| 102 | G | 94.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 74.8 Ų | 74.8 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | 61.9 | -166.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y100 Y104 L262 | Y100-G102 PolarHBondContact O-N 3.17Å; G102-Y104 PolarHBondContact O-N 2.76Å; G102-L262 WeakPolarHBondContact CA-O 3.44Å |
| 103 | N | 94.9 | Very high | 93.7 | Very high | 144 Ų | 144 | 71.7 Ų | 71.7 | 77% | 0.77 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -72.6 | -14.8 | -174.7 | -63.3 | -16.1 | 0 | 0 | 0 | 113.1 | ||
| 104 | Y | 95.8 | Very high | 93.9 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -103.7 | 3.9 | -175.6 | -56.1 | -79.3 | 0 | 0 | 0 | 113 | G102 F106 V144 S145 A146 P148 P149 L262 | G102-Y104 PolarHBondContact O-N 2.76Å; Y104-F106 VanDerWaalsContact C-N 3.3Å; Y104-F106 PolarHBondContact O-N 2.85Å; Y104-V144 CarbonylContact O-C 3.57Å; Y104-V144 WeakPolarHBondContact O-CA 3.32Å; Y104-S145 PolarHBondContact O-N 2.77Å; Y104-A146 HydrophobicContact CD1-CB 4.15Å; Y104-A146 WeakPolarHBondContact CD1-O 3.43Å; Y104-P148 HydrophobicContact CG-CG 4.46Å; Y104-P149 VanDerWaalsContact OH-CD 3.32Å; Y104-P149 WeakPolarHBondContact OH-CD 3.49Å; Y104-P149 VanDerWaalsContact OH-CG 3.31Å; Y104-P149 WeakPolarHBondContact OH-CG 3.28Å; Y104-L262 HydrophobicContact CD2-CB 4.26Å; Y104-L262 HydrophobicContact CE2-CB 4.3Å; Y104-L262 HydrophobicContact CE2-CD1 4.23Å; Y104-L262 HydrophobicContact CE2-CD2 4.23Å; Y104-L262 HydrophobicContact CE2-CG 4.49Å |
| 105 | G | 96 | Very high | 93.9 | Very high | 13 Ų | 13 | 66.7 Ų | 66.7 | 13% | 0.134 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 30.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q101 H107 | Q101-G105 PolarHBondContact O-N 3.43Å; G105-H107 PolarHBondContact O-N 3.11Å; G105-H107 PolarHBondContact O-ND1 2.88Å |
| 106 | F | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -61.6 | 120.8 | -175.6 | -179.8 | -104.9 | 0 | 0 | 0 | 111.8 | Q101 Y104 L108 L142 W143 V144 I252 L254 D265 | Q101-F106 WeakPolarHBondContact CA-O 3.2Å; Q101-F106 WeakPolarHBondContact O-CB 3.39Å; Q101-F106 PolarHBondContact O-N 2.8Å; Y104-F106 VanDerWaalsContact C-N 3.3Å; Y104-F106 PolarHBondContact O-N 2.85Å; F106-L108 HydrophobicContact CE1-CD2 4.43Å; F106-L108 HydrophobicContact CZ-CD2 3.95Å; F106-L142 HydrophobicContact CE2-CB 4.36Å; F106-L142 HydrophobicContact CE2-CD2 4Å; F106-L142 HydrophobicContact CZ-CD2 4.11Å; F106-W143 WeakPolarHBondContact CA-O 3.22Å; F106-V144 HydrophobicContact CD2-CG1 4.11Å; F106-I252 HydrophobicContact CE1-CG2 4.41Å; F106-I252 HydrophobicContact CZ-CB 4.49Å; F106-I252 HydrophobicContact CZ-CG2 3.82Å; F106-L254 HydrophobicContact CB-CD2 4.33Å; F106-L254 HydrophobicContact CD1-CB 4.3Å; F106-L254 HydrophobicContact CD2-CB 3.93Å; F106-L254 HydrophobicContact CD2-CD2 4.04Å; F106-L254 HydrophobicContact CD2-CG 4.49Å; F106-L254 HydrophobicContact CE1-CB 4.43Å; F106-L254 HydrophobicContact CE2-CB 4.07Å; F106-L254 HydrophobicContact CG-CB 4.04Å; F106-L254 HydrophobicContact CG-CD2 4.32Å; F106-L254 HydrophobicContact CZ-CB 4.33Å; F106-D265 HydrophobicContact CE1-CB 4.28Å | ||
| 107 | H | 97 | Very high | 93.4 | Very high | 66 Ų | 66 | 73.2 Ų | 73.2 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 164.4 | 173.1 | 63.6 | -78.9 | 0 | 0 | 0 | 111.3 | G105 W143 | G105-H107 PolarHBondContact O-N 3.11Å; G105-H107 PolarHBondContact O-ND1 2.88Å; H107-W143 WeakPolarHBondContact CE1-CB 3.47Å; H107-W143 AromaticContact CE1-CG 3.96Å; H107-W143 PolarHBondContact N-O 2.95Å; H107-W143 VanDerWaalsContact N-O 3.12Å; H107-W143 VanDerWaalsContact NE2-CB 3.31Å; H107-W143 WeakPolarHBondContact NE2-CB 3.33Å; H107-W143 AromaticContact NE2-CG 3.58Å; H107-W143 PolarHBondContact O-N 3.06Å |
| 108 | L | 97.6 | Very high | 93.3 | Very high | 19 Ų | 19 | 74.1 Ų | 74.1 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.7 | -177.5 | -56 | 174.5 | 0 | 0 | 0 | 112 | F106 F110 V140 Q141 L142 I252 D265 F267 | F106-L108 HydrophobicContact CE1-CD2 4.43Å; F106-L108 HydrophobicContact CZ-CD2 3.95Å; L108-F110 HydrophobicContact CB-CE2 4.12Å; L108-F110 HydrophobicContact CB-CZ 4.28Å; L108-V140 HydrophobicContact CD2-CG1 3.99Å; L108-Q141 CarbonylContact C-O 3.5Å; L108-Q141 WeakPolarHBondContact CA-O 3.41Å; L108-L142 HydrophobicContact CD2-CD2 3.53Å; L108-I252 HydrophobicContact CD1-CB 4.09Å; L108-I252 HydrophobicContact CD1-CG1 3.76Å; L108-I252 HydrophobicContact CD2-CB 4.14Å; L108-I252 HydrophobicContact CD2-CG1 4.22Å; L108-I252 HydrophobicContact CD2-CG2 4.19Å; L108-D265 HydrophobicContact CD1-CB 3.89Å; L108-D265 HydrophobicContact CG-CB 3.81Å; L108-D265 PolarHBondContact N-OD2 2.74Å; L108-F267 HydrophobicContact CD1-CD1 3.62Å; L108-F267 HydrophobicContact CD1-CE1 3.94Å |
| 109 | G | 96.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q141 | G109-Q141 PolarHBondContact N-O 3.31Å; G109-Q141 WeakPolarHBondContact O-CB 3.45Å; G109-Q141 PolarHBondContact O-N 3.09Å |
| 110 | F | 96.7 | Very high | 93.2 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | trans | -137.8 | 143.5 | 179.8 | -58.9 | -88.9 | 0 | 0 | 0 | 110.1 | L108 Q112 Y123 L130 V140 F267 | L108-F110 HydrophobicContact CB-CE2 4.12Å; L108-F110 HydrophobicContact CB-CZ 4.28Å; F110-Q112 PolarHBondContact O-N 2.97Å; F110-Y123 HydrophobicContact CB-CD1 3.57Å; F110-Y123 HydrophobicContact CB-CD2 4.13Å; F110-Y123 HydrophobicContact CB-CE1 4.16Å; F110-Y123 HydrophobicContact CB-CG 3.54Å; F110-Y123 AromaticContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CE2 4.29Å; F110-Y123 HydrophobicContact CD1-CG 4.1Å; F110-Y123 AromaticContact CD2-CD1 3.82Å; F110-Y123 HydrophobicContact CD2-CD1 3.82Å; F110-Y123 AromaticContact CD2-CD2 3.71Å; F110-Y123 HydrophobicContact CD2-CD2 3.71Å; F110-Y123 AromaticContact CD2-CE1 3.56Å; F110-Y123 HydrophobicContact CD2-CE1 3.56Å; F110-Y123 AromaticContact CD2-CE2 3.46Å; F110-Y123 HydrophobicContact CD2-CE2 3.46Å; F110-Y123 VanDerWaalsContact CD2-CE2 3.46Å; F110-Y123 AromaticContact CD2-CG 3.87Å; F110-Y123 HydrophobicContact CD2-CG 3.87Å; F110-Y123 AromaticContact CD2-CZ 3.37Å; F110-Y123 HydrophobicContact CE1-CD2 4.14Å; F110-Y123 HydrophobicContact CE1-CE2 4.29Å; F110-Y123 HydrophobicContact CE2-CD2 4.04Å; F110-Y123 HydrophobicContact CE2-CE1 4.27Å; F110-Y123 AromaticContact CE2-CE2 3.48Å; F110-Y123 HydrophobicContact CE2-CE2 3.48Å; F110-Y123 VanDerWaalsContact CE2-CE2 3.48Å; F110-Y123 AromaticContact CE2-CZ 3.6Å; F110-Y123 AromaticContact CG-CD1 3.82Å; F110-Y123 HydrophobicContact CG-CD1 3.82Å; F110-Y123 AromaticContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CE1 4.07Å; F110-Y123 AromaticContact CG-CE2 3.89Å; F110-Y123 HydrophobicContact CG-CE2 3.89Å; F110-Y123 AromaticContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CZ-CD2 4.24Å; F110-Y123 AromaticContact CZ-CE2 3.92Å; F110-Y123 HydrophobicContact CZ-CE2 3.92Å; F110-L130 HydrophobicContact CD1-CD1 4.29Å; F110-V140 HydrophobicContact CD1-CG2 4.49Å; F110-V140 HydrophobicContact CE1-CG1 4.22Å; F110-V140 HydrophobicContact CE1-CG2 4Å; F110-F267 HydrophobicContact CE1-CD1 4.2Å; F110-F267 HydrophobicContact CE1-CD2 4.05Å; F110-F267 HydrophobicContact CE1-CE1 4.28Å; F110-F267 HydrophobicContact CE1-CE2 4.13Å; F110-F267 HydrophobicContact CE1-CG 4.07Å; F110-F267 HydrophobicContact CE1-CZ 4.25Å; F110-F267 HydrophobicContact CE2-CB 4.47Å; F110-F267 HydrophobicContact CZ-CB 3.84Å; F110-F267 AromaticContact CZ-CD1 3.61Å; F110-F267 HydrophobicContact CZ-CD1 3.61Å; F110-F267 AromaticContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CE1 4.09Å; F110-F267 HydrophobicContact CZ-CE2 4.42Å; F110-F267 AromaticContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CZ 4.47Å | ||
| 111 | L | 92.6 | Very high | 93.2 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 45% | 0.45 | 36% | 0.361 | S | S | . | . | trans | -64.6 | 127.1 | 174.7 | -66.5 | 175.4 | 0 | 0 | 0 | 110.5 | S113 P139 Q141 | L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 PolarHBondContact O-OG 3.15Å; L111-P139 HydrophobicContact CD1-CB 4.23Å; L111-P139 HydrophobicContact CD1-CG 3.7Å; L111-P139 HydrophobicContact CG-CG 4.43Å; L111-Q141 VanDerWaalsContact CD2-NE2 3.34Å | ||
| 112 | Q | 86 | Confident | 93.2 | Very high | 202 Ų | 202 | 59 Ų | 59 | 94% | 0.944 | 34% | 0.336 | S | S | * | . | trans | -68.2 | 103.4 | 175.6 | -170.4 | 168.9 | 7.1 | 0 | 0 | 109.6 | F110 | F110-Q112 PolarHBondContact O-N 2.97Š| ||
| 113 | S | 87.7 | Confident | 93.3 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | trans | -108.3 | 146.7 | -177.6 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | L111 R279 | L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 PolarHBondContact O-OG 3.15Å; S113-R279 PolarHBondContact O-NH1 3.37Å | ||
| 114 | G | 87.8 | Confident | 93.4 | Very high | 52 Ų | 52 | 53 Ų | 53 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | trans | -70.8 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T122 | G114-T122 PolarHBondContact O-OG1 2.86Š| ||
| 115 | T | 89.1 | Confident | 93.4 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | trans | -107.5 | 23.1 | -178.2 | 56 | 0 | 0 | 0 | 0 | 113.4 | G276 R279 R280 | T115-G276 CarbonylContact O-C 3.58Å; T115-G276 WeakPolarHBondContact O-CA 3.43Å; T115-R279 HydrophobicContact CG2-CG 4.21Å; T115-R280 HydrophobicContact CG2-CG 4.15Å | ||
| 116 | A | 90.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | trans | -60.1 | 154.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S118 V119 | A116-S118 PolarHBondContact O-N 3.04Å; A116-V119 WeakPolarHBondContact O-CB 3.37Å; A116-V119 VanDerWaalsContact O-CG1 3.24Å; A116-V119 WeakPolarHBondContact O-CG1 3.42Å; A116-V119 PolarHBondContact O-N 3.05Å; A116-V119 VanDerWaalsContact O-N 3.12Å | ||
| 117 | K | 84.7 | Confident | 93.2 | Very high | 180 Ų | 180 | 59.1 Ų | 59.1 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.7 | 179.6 | -66.8 | -176.9 | -179 | 178.2 | 0 | 113.2 | V119 | K117-V119 VanDerWaalsContact C-N 3.33Š|
| 118 | S | 90 | Very high | 93.1 | Very high | 103 Ų | 103 | 58.8 Ų | 58.8 | 72% | 0.72 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.4 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | A116 M120 | A116-S118 PolarHBondContact O-N 3.04Å; S118-M120 PolarHBondContact O-N 3.16Å |
| 119 | V | 93.6 | Very high | 93.1 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | trans | -69.9 | 127.1 | -176.6 | 84 | 0 | 0 | 0 | 0 | 110.4 | A116 K117 C121 T122 P275 | A116-V119 WeakPolarHBondContact O-CB 3.37Å; A116-V119 VanDerWaalsContact O-CG1 3.24Å; A116-V119 WeakPolarHBondContact O-CG1 3.42Å; A116-V119 PolarHBondContact O-N 3.05Å; A116-V119 VanDerWaalsContact O-N 3.12Å; K117-V119 VanDerWaalsContact C-N 3.33Å; V119-C121 VanDerWaalsContact CG2-O 3.27Å; V119-C121 WeakPolarHBondContact CG2-O 3.24Å; V119-T122 HydrophobicContact CG1-CG2 3.96Å; V119-P275 HydrophobicContact CG1-CB 4.24Å | ||
| 120 | M | 95.2 | Very high | 93.2 | Very high | 83 Ų | 83 | 58 Ų | 58 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -88.7 | -26.4 | -178.3 | -50.7 | -174.8 | 99.6 | 0 | 0 | 112.2 | S118 C132 Q133 K136 | S118-M120 PolarHBondContact O-N 3.16Å; M120-C132 CarbonylContact O-C 3.55Å; M120-C132 VanDerWaalsContact O-CA 3.31Å; M120-C132 WeakPolarHBondContact O-CA 3.49Å; M120-Q133 PolarHBondContact O-N 2.75Å; M120-K136 HydrophobicContact CB-CB 4.37Å; M120-K136 HydrophobicContact CB-CG 4.36Å; M120-K136 HydrophobicContact CE-CD 3.45Å; M120-K136 VanDerWaalsContact CE-CD 3.45Å; M120-K136 HydrophobicContact CE-CG 3.9Å; M120-K136 VanDerWaalsContact CE-NZ 3.34Å; M120-K136 HydrophobicContact SD-CD 4.29Å |
| 121 | C | 96.3 | Very high | 93.3 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 128.9 | 179.5 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | V119 F131 C132 | V119-C121 VanDerWaalsContact CG2-O 3.27Å; V119-C121 WeakPolarHBondContact CG2-O 3.24Å; C121-F131 CarbonylContact C-O 3.47Å; C121-F131 WeakPolarHBondContact CA-O 3.45Å; C121-C132 HydrophobicContact CB-CB 4.33Å |
| 122 | T | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 140.1 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | G114 V119 F131 P275 R279 | G114-T122 PolarHBondContact O-OG1 2.86Å; V119-T122 HydrophobicContact CG1-CG2 3.96Å; T122-F131 HydrophobicContact CG2-CB 3.91Å; T122-F131 PolarHBondContact N-O 3.41Å; T122-F131 PolarHBondContact O-N 3.37Å; T122-P275 HydrophobicContact CG2-CB 3.88Å; T122-R279 HydrophobicContact CG2-CB 4.16Å; T122-R279 WeakPolarHBondContact OG1-CD 3.5Å; T122-R279 PolarHBondContact OG1-NH1 2.9Å |
| 123 | Y | 97.3 | Very high | 94.1 | Very high | 39 Ų | 39 | 45 Ų | 45 | 15% | 0.153 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140 | 176.4 | 178.4 | -107.7 | 0 | 0 | 0 | 111.3 | F110 P125 N128 L130 R279 | F110-Y123 HydrophobicContact CB-CD1 3.57Å; F110-Y123 HydrophobicContact CB-CD2 4.13Å; F110-Y123 HydrophobicContact CB-CE1 4.16Å; F110-Y123 HydrophobicContact CB-CG 3.54Å; F110-Y123 AromaticContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CE2 4.29Å; F110-Y123 HydrophobicContact CD1-CG 4.1Å; F110-Y123 AromaticContact CD2-CD1 3.82Å; F110-Y123 HydrophobicContact CD2-CD1 3.82Å; F110-Y123 AromaticContact CD2-CD2 3.71Å; F110-Y123 HydrophobicContact CD2-CD2 3.71Å; F110-Y123 AromaticContact CD2-CE1 3.56Å; F110-Y123 HydrophobicContact CD2-CE1 3.56Å; F110-Y123 AromaticContact CD2-CE2 3.46Å; F110-Y123 HydrophobicContact CD2-CE2 3.46Å; F110-Y123 VanDerWaalsContact CD2-CE2 3.46Å; F110-Y123 AromaticContact CD2-CG 3.87Å; F110-Y123 HydrophobicContact CD2-CG 3.87Å; F110-Y123 AromaticContact CD2-CZ 3.37Å; F110-Y123 HydrophobicContact CE1-CD2 4.14Å; F110-Y123 HydrophobicContact CE1-CE2 4.29Å; F110-Y123 HydrophobicContact CE2-CD2 4.04Å; F110-Y123 HydrophobicContact CE2-CE1 4.27Å; F110-Y123 AromaticContact CE2-CE2 3.48Å; F110-Y123 HydrophobicContact CE2-CE2 3.48Å; F110-Y123 VanDerWaalsContact CE2-CE2 3.48Å; F110-Y123 AromaticContact CE2-CZ 3.6Å; F110-Y123 AromaticContact CG-CD1 3.82Å; F110-Y123 HydrophobicContact CG-CD1 3.82Å; F110-Y123 AromaticContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CE1 4.07Å; F110-Y123 AromaticContact CG-CE2 3.89Å; F110-Y123 HydrophobicContact CG-CE2 3.89Å; F110-Y123 AromaticContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CZ-CD2 4.24Å; F110-Y123 AromaticContact CZ-CE2 3.92Å; F110-Y123 HydrophobicContact CZ-CE2 3.92Å; Y123-P125 HydrophobicContact CD1-CG 4.12Å; Y123-P125 HydrophobicContact CE1-CB 4.28Å; Y123-P125 HydrophobicContact CE1-CG 4.08Å; Y123-N128 WeakPolarHBondContact OH-CA 3.33Å; Y123-N128 PolarHBondContact OH-OD1 2.93Å; Y123-L130 HydrophobicContact CD2-CB 4.48Å; Y123-L130 HydrophobicContact CD2-CD1 4.37Å; Y123-R279 PolarHBondContact O-NE 2.97Å; Y123-R279 PolarHBondContact O-NH1 3.42Å; Y123-R279 VanDerWaalsContact O-NH1 3.14Å; Y123-R279 PolarHBondContact O-NH2 2.86Å |
| 124 | S | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 107.3 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | P126 L127 N128 K129 E283 | S124-P126 WeakPolarHBondContact OG-CD 3.41Å; S124-L127 PolarHBondContact O-N 3.27Å; S124-N128 PolarHBondContact O-N 3.45Å; S124-N128 VanDerWaalsContact O-N 3.1Å; S124-K129 PolarHBondContact N-O 3.09Å; S124-K129 PolarHBondContact O-N 2.86Å; S124-K129 VanDerWaalsContact O-N 3.17Å; S124-E283 VanDerWaalsContact CB-OE1 3.23Å; S124-E283 WeakPolarHBondContact CB-OE1 3.01Å; S124-E283 VanDerWaalsContact OG-CG 3.31Å; S124-E283 WeakPolarHBondContact OG-CG 3.15Å; S124-E283 PolarHBondContact OG-OE1 2.67Å |
| 125 | P | 95 | Very high | 94.8 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -47.8 | 173.6 | -25.1 | 34.4 | 0 | 0 | 0 | 115.1 | Y123 L127 N128 | Y123-P125 HydrophobicContact CD1-CG 4.12Å; Y123-P125 HydrophobicContact CE1-CB 4.28Å; Y123-P125 HydrophobicContact CE1-CG 4.08Å; P125-L127 PolarHBondContact O-N 3.07Å; P125-N128 PolarHBondContact O-N 2.85Å |
| 126 | P | 94.3 | Very high | 95.1 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -28.8 | -176.3 | 25.3 | -34.7 | 0 | 0 | 0 | 112.9 | S124 E283 F286 | S124-P126 WeakPolarHBondContact OG-CD 3.41Å; P126-E283 HydrophobicContact CG-CG 4.26Å; P126-F286 HydrophobicContact CB-CD1 4.4Å; P126-F286 HydrophobicContact CB-CE1 4.19Å |
| 127 | L | 94.9 | Very high | 95.3 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -8.9 | 179.7 | -63.5 | 177.7 | 0 | 0 | 0 | 113.6 | S124 P125 K129 F131 E282 E283 F286 | S124-L127 PolarHBondContact O-N 3.27Å; P125-L127 PolarHBondContact O-N 3.07Å; L127-K129 HydrophobicContact CB-CB 3.64Å; L127-K129 PolarHBondContact O-N 2.89Å; L127-F131 HydrophobicContact CD1-CE2 4.43Å; L127-F131 HydrophobicContact CD1-CZ 4.21Å; L127-E282 HydrophobicContact CD1-CB 3.85Å; L127-E283 HydrophobicContact CD1-CG 4.04Å; L127-E283 HydrophobicContact CG-CG 4.48Å; L127-F286 HydrophobicContact CD2-CB 3.69Å; L127-F286 HydrophobicContact CD2-CD1 4.1Å; L127-F286 HydrophobicContact CD2-CD2 3.55Å; L127-F286 HydrophobicContact CD2-CE2 4.19Å; L127-F286 HydrophobicContact CD2-CG 3.51Å |
| 128 | N | 96.5 | Very high | 95.9 | Very high | 60 Ų | 60 | 39 Ų | 39 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 52.4 | -163.3 | -175.5 | 17.8 | 0 | 0 | 0 | 111.2 | Y123 S124 P125 S266 F267 E268 | Y123-N128 WeakPolarHBondContact OH-CA 3.33Å; Y123-N128 PolarHBondContact OH-OD1 2.93Å; S124-N128 PolarHBondContact O-N 3.45Å; S124-N128 VanDerWaalsContact O-N 3.1Å; P125-N128 PolarHBondContact O-N 2.85Å; N128-S266 PolarHBondContact ND2-O 3.48Å; N128-F267 WeakPolarHBondContact OD1-CB 3.32Å; N128-E268 PolarHBondContact O-N 2.68Å |
| 129 | K | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 126.6 | -167.6 | -172.8 | 167.9 | -179.4 | 168.4 | 0 | 113 | S124 L127 F131 E268 E282 | S124-K129 PolarHBondContact N-O 3.09Å; S124-K129 PolarHBondContact O-N 2.86Å; S124-K129 VanDerWaalsContact O-N 3.17Å; L127-K129 HydrophobicContact CB-CB 3.64Å; L127-K129 PolarHBondContact O-N 2.89Å; K129-F131 HydrophobicContact CB-CE2 4Å; K129-F131 HydrophobicContact CB-CZ 4.48Å; K129-F131 HydrophobicContact CD-CE1 4.28Å; K129-F131 HydrophobicContact CD-CE2 3.99Å; K129-F131 HydrophobicContact CD-CZ 3.64Å; K129-F131 HydrophobicContact CG-CD2 4.3Å; K129-F131 HydrophobicContact CG-CE2 3.72Å; K129-F131 HydrophobicContact CG-CZ 3.9Å; K129-E268 CarbonylContact C-O 3.59Å; K129-E268 WeakPolarHBondContact CA-O 3.42Å; K129-E268 HydrophobicContact CB-CB 4.03Å; K129-E268 HydrophobicContact CD-CB 4.21Å; K129-E268 HydrophobicContact CD-CG 3.87Å; K129-E268 WeakPolarHBondContact CD-OE1 3.19Å; K129-E268 WeakPolarHBondContact CE-OE1 3.36Å; K129-E268 HydrophobicContact CG-CB 3.84Å; K129-E268 HydrophobicContact CG-CG 3.93Å; K129-E268 IonicContact NZ-OE1 2.65Å; K129-E268 PolarHBondContact NZ-OE1 3.32Å; K129-E282 WeakPolarHBondContact CD-OE2 3.39Å; K129-E282 VanDerWaalsContact CE-OE2 3.28Å; K129-E282 WeakPolarHBondContact CE-OE2 3.31Å; K129-E282 IonicContact NZ-OE1 3.45Å; K129-E282 PolarHBondContact NZ-OE1 3.01Å; K129-E282 IonicContact NZ-OE2 3.96Å; K129-E282 PolarHBondContact NZ-OE2 3.13Å |
| 130 | L | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.7 | 174.1 | -169.4 | 73 | 0 | 0 | 0 | 110.6 | F110 Y123 C138 Y233 F267 E268 V269 R270 | F110-L130 HydrophobicContact CD1-CD1 4.29Å; Y123-L130 HydrophobicContact CD2-CB 4.48Å; Y123-L130 HydrophobicContact CD2-CD1 4.37Å; L130-C138 HydrophobicContact CD2-CB 3.9Å; L130-Y233 HydrophobicContact CD2-CE2 4.36Å; L130-F267 HydrophobicContact CB-CD2 3.92Å; L130-F267 HydrophobicContact CB-CE2 4.05Å; L130-F267 HydrophobicContact CD2-CE2 3.89Å; L130-E268 PolarHBondContact N-O 2.86Å; L130-V269 HydrophobicContact CB-CG2 4.32Å; L130-V269 CarbonylContact O-C 3.03Å; L130-V269 WeakPolarHBondContact O-CA 3.35Å; L130-R270 PolarHBondContact O-N 2.59Å |
| 131 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.5 | 172.7 | -60.7 | -102 | 0 | 0 | 0 | 108.2 | C121 T122 L127 K129 R270 P275 D278 R279 E282 | C121-F131 CarbonylContact C-O 3.47Å; C121-F131 WeakPolarHBondContact CA-O 3.45Å; T122-F131 HydrophobicContact CG2-CB 3.91Å; T122-F131 PolarHBondContact N-O 3.41Å; T122-F131 PolarHBondContact O-N 3.37Å; L127-F131 HydrophobicContact CD1-CE2 4.43Å; L127-F131 HydrophobicContact CD1-CZ 4.21Å; K129-F131 HydrophobicContact CB-CE2 4Å; K129-F131 HydrophobicContact CB-CZ 4.48Å; K129-F131 HydrophobicContact CD-CE1 4.28Å; K129-F131 HydrophobicContact CD-CE2 3.99Å; K129-F131 HydrophobicContact CD-CZ 3.64Å; K129-F131 HydrophobicContact CG-CD2 4.3Å; K129-F131 HydrophobicContact CG-CE2 3.72Å; K129-F131 HydrophobicContact CG-CZ 3.9Å; F131-R270 WeakPolarHBondContact CA-O 3.33Å; F131-R270 HydrophobicContact CD1-CB 4.05Å; F131-R270 HydrophobicContact CD1-CG 4.31Å; F131-R270 HydrophobicContact CE1-CB 4.32Å; F131-P275 HydrophobicContact CB-CB 3.78Å; F131-D278 HydrophobicContact CD1-CB 3.98Å; F131-D278 HydrophobicContact CE1-CB 4.17Å; F131-R279 HydrophobicContact CD1-CB 4.32Å; F131-R279 HydrophobicContact CD2-CB 3.76Å; F131-R279 HydrophobicContact CD2-CG 4.13Å; F131-R279 HydrophobicContact CE1-CB 4.42Å; F131-R279 HydrophobicContact CE2-CB 3.89Å; F131-R279 HydrophobicContact CE2-CG 4.05Å; F131-R279 HydrophobicContact CG-CB 4Å; F131-R279 HydrophobicContact CZ-CB 4.23Å; F131-E282 HydrophobicContact CE1-CB 4.44Å; F131-E282 HydrophobicContact CE1-CG 4.28Å; F131-E282 HydrophobicContact CZ-CB 4.09Å; F131-E282 HydrophobicContact CZ-CG 4.37Å |
| 132 | C | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 159.9 | -178.9 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | M120 C121 C138 R270 V271 C272 | M120-C132 CarbonylContact O-C 3.55Å; M120-C132 VanDerWaalsContact O-CA 3.31Å; M120-C132 WeakPolarHBondContact O-CA 3.49Å; C121-C132 HydrophobicContact CB-CB 4.33Å; C132-C138 WeakPolarHBondContact CB-SG 3.29Å; C132-C138 VanDerWaalsContact SG-SG 3.69Å; C132-R270 PolarHBondContact N-O 2.78Å; C132-V271 CarbonylContact O-C 3.59Å; C132-V271 VanDerWaalsContact O-CA 3.28Å; C132-V271 WeakPolarHBondContact O-CA 3.24Å; C132-C272 PolarHBondContact O-N 2.83Å; C132-C272 VanDerWaalsContact O-O 3.11Å |
| 133 | Q | 97.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | trans | -82.2 | 156.4 | 170.9 | -73.5 | -178.5 | -29 | 0 | 0 | 111.6 | M120 A135 K136 C272 A273 P275 | M120-Q133 PolarHBondContact O-N 2.75Å; Q133-A135 PolarHBondContact O-N 3.34Å; Q133-K136 HydrophobicContact CB-CB 4.16Å; Q133-K136 HydrophobicContact CB-CG 3.58Å; Q133-K136 PolarHBondContact O-N 2.96Å; Q133-C272 WeakPolarHBondContact CA-O 3.31Å; Q133-A273 PolarHBondContact NE2-O 3.26Å; Q133-P275 HydrophobicContact CG-CG 3.8Å | ||
| 134 | L | 96.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 32.7 Ų | 32.7 | 29% | 0.293 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 128.7 | 175.2 | -178 | 64.6 | 0 | 0 | 0 | 111.4 | K136 C235 V271 | L134-K136 PolarHBondContact O-N 3.29Å; L134-C235 VanDerWaalsContact CD1-CA 3.44Å; L134-C235 VanDerWaalsContact CD1-N 3.26Å; L134-V271 HydrophobicContact CB-CG1 4.38Å |
| 135 | A | 94.7 | Very high | 96.5 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 20.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q133 Y233 M234 | Q133-A135 PolarHBondContact O-N 3.34Å; A135-Y233 PolarHBondContact N-O 3.1Å; A135-M234 HydrophobicContact CB-CE 3.74Å; A135-M234 HydrophobicContact CB-SD 3.98Å |
| 136 | K | 95.4 | Very high | 96.4 | Very high | 86 Ų | 86 | 36.1 Ų | 36.1 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | trans | -94.1 | 149.2 | 173.2 | -61.6 | -57.2 | 179 | 168.4 | 0 | 111.6 | M120 Q133 L134 C138 | M120-K136 HydrophobicContact CB-CB 4.37Å; M120-K136 HydrophobicContact CB-CG 4.36Å; M120-K136 HydrophobicContact CE-CD 3.45Å; M120-K136 VanDerWaalsContact CE-CD 3.45Å; M120-K136 HydrophobicContact CE-CG 3.9Å; M120-K136 VanDerWaalsContact CE-NZ 3.34Å; M120-K136 HydrophobicContact SD-CD 4.29Å; Q133-K136 HydrophobicContact CB-CB 4.16Å; Q133-K136 HydrophobicContact CB-CG 3.58Å; Q133-K136 PolarHBondContact O-N 2.96Å; L134-K136 PolarHBondContact O-N 3.29Å; K136-C138 PolarHBondContact O-N 2.76Å; K136-C138 PolarHBondContact O-SG 3.02Å; K136-C138 VanDerWaalsContact O-SG 3.37Å | ||
| 137 | T | 95.6 | Very high | 96.4 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.5 | -176.5 | -46 | 0 | 0 | 0 | 0 | 111.3 | E195 H230 | T137-E195 WeakPolarHBondContact CB-OE2 3.47Å; T137-E195 WeakPolarHBondContact CG2-OE2 3.46Å; T137-E195 PolarHBondContact OG1-OE2 2.83Å; T137-H230 HydrophobicContact CG2-CB 3.77Å |
| 138 | C | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 96.6 | -179.6 | -62.2 | 0 | 0 | 0 | 0 | 109 | L130 C132 K136 V140 Y231 Y233 | L130-C138 HydrophobicContact CD2-CB 3.9Å; C132-C138 WeakPolarHBondContact CB-SG 3.29Å; C132-C138 VanDerWaalsContact SG-SG 3.69Å; K136-C138 PolarHBondContact O-N 2.76Å; K136-C138 PolarHBondContact O-SG 3.02Å; K136-C138 VanDerWaalsContact O-SG 3.37Å; C138-V140 PolarHBondContact O-N 3.44Å; C138-Y231 WeakPolarHBondContact CB-O 3.28Å; C138-Y231 PolarHBondContact N-O 2.89Å; C138-Y231 PolarHBondContact O-N 3.35Å; C138-Y233 HydrophobicContact CB-CE2 4.36Å |
| 139 | P | 96.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 36 Ų | 36 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.2 | 177.7 | 28.1 | -32 | 0 | 0 | 0 | 110.5 | L111 T228 | L111-P139 HydrophobicContact CD1-CB 4.23Å; L111-P139 HydrophobicContact CD1-CG 3.7Å; L111-P139 HydrophobicContact CG-CG 4.43Å; P139-T228 HydrophobicContact CB-CG2 3.74Å |
| 140 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.5 | 173.9 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | L108 F110 C138 T228 I229 Y231 F267 | L108-V140 HydrophobicContact CD2-CG1 3.99Å; F110-V140 HydrophobicContact CD1-CG2 4.49Å; F110-V140 HydrophobicContact CE1-CG1 4.22Å; F110-V140 HydrophobicContact CE1-CG2 4Å; C138-V140 PolarHBondContact O-N 3.44Å; V140-T228 WeakPolarHBondContact O-CA 3.34Å; V140-I229 PolarHBondContact N-O 2.81Å; V140-I229 PolarHBondContact O-N 3.29Å; V140-Y231 HydrophobicContact CB-CD2 4Å; V140-Y231 HydrophobicContact CB-CE2 3.92Å; V140-Y231 HydrophobicContact CG1-CE2 4.48Å; V140-Y231 HydrophobicContact CG2-CD2 3.63Å; V140-Y231 HydrophobicContact CG2-CE2 3.99Å; V140-F267 HydrophobicContact CG1-CE1 4.42Å; V140-F267 HydrophobicContact CG2-CE1 4.4Å; V140-F267 HydrophobicContact CG2-CZ 3.95Å |
| 141 | Q | 97.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133 | -179.4 | -59.8 | 171.1 | -28.2 | 0 | 0 | 109.4 | L108 G109 L111 Y226 T227 | L108-Q141 CarbonylContact C-O 3.5Å; L108-Q141 WeakPolarHBondContact CA-O 3.41Å; G109-Q141 PolarHBondContact N-O 3.31Å; G109-Q141 WeakPolarHBondContact O-CB 3.45Å; G109-Q141 PolarHBondContact O-N 3.09Å; L111-Q141 VanDerWaalsContact CD2-NE2 3.34Å; Q141-Y226 HydrophobicContact CB-CD2 3.85Å; Q141-Y226 HydrophobicContact CB-CE2 4.47Å; Q141-Y226 HydrophobicContact CB-CG 4.2Å; Q141-Y226 HydrophobicContact CG-CD2 3.63Å; Q141-Y226 HydrophobicContact CG-CE2 3.76Å; Q141-Y226 HydrophobicContact CG-CG 4.34Å; Q141-Y226 VanDerWaalsContact NE2-CZ 3.28Å; Q141-Y226 PolarHBondContact NE2-OH 3.15Å; Q141-T227 CarbonylContact C-O 3.53Å; Q141-T227 WeakPolarHBondContact CA-O 3.38Å |
| 142 | L | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.5 | 174.4 | -53.1 | -176.5 | 0 | 0 | 0 | 108.5 | F106 L108 V154 Y226 T227 I229 I252 | F106-L142 HydrophobicContact CE2-CB 4.36Å; F106-L142 HydrophobicContact CE2-CD2 4Å; F106-L142 HydrophobicContact CZ-CD2 4.11Å; L108-L142 HydrophobicContact CD2-CD2 3.53Å; L142-V154 HydrophobicContact CD1-CB 4.39Å; L142-V154 HydrophobicContact CD1-CG1 4.05Å; L142-V154 HydrophobicContact CD1-CG2 3.67Å; L142-Y226 WeakPolarHBondContact O-CA 3.33Å; L142-Y226 WeakPolarHBondContact O-CB 3.42Å; L142-T227 PolarHBondContact N-O 3.08Å; L142-T227 PolarHBondContact O-N 3.36Å; L142-T227 VanDerWaalsContact O-N 3.09Å; L142-I229 HydrophobicContact CD1-CD1 3.56Å; L142-I229 HydrophobicContact CD1-CG1 4.03Å; L142-I229 HydrophobicContact CG-CD1 4.31Å; L142-I229 HydrophobicContact CG-CG1 4.46Å; L142-I252 HydrophobicContact CD2-CG2 4.34Å |
| 143 | W | 97.6 | Very high | 96 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 24% | 0.242 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134 | 177.5 | -67.4 | 80.4 | 0 | 0 | 0 | 109.6 | F106 H107 E225 Y226 | F106-W143 WeakPolarHBondContact CA-O 3.22Å; H107-W143 WeakPolarHBondContact CE1-CB 3.47Å; H107-W143 AromaticContact CE1-CG 3.96Å; H107-W143 PolarHBondContact N-O 2.95Å; H107-W143 VanDerWaalsContact N-O 3.12Å; H107-W143 VanDerWaalsContact NE2-CB 3.31Å; H107-W143 WeakPolarHBondContact NE2-CB 3.33Å; H107-W143 AromaticContact NE2-CG 3.58Å; H107-W143 PolarHBondContact O-N 3.06Å; W143-E225 HydrophobicContact CE3-CB 4.34Å; W143-E225 HydrophobicContact CH2-CB 4.21Å; W143-E225 HydrophobicContact CZ3-CB 3.63Å; W143-Y226 AromaticContact CE2-CD1 3.84Å; W143-Y226 AromaticContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CE1 4.22Å; W143-Y226 HydrophobicContact CH2-CG 4.47Å; W143-Y226 AromaticContact CZ2-CD1 3.31Å; W143-Y226 HydrophobicContact CZ2-CD1 3.31Å; W143-Y226 AromaticContact CZ2-CE1 3.98Å; W143-Y226 HydrophobicContact CZ2-CE1 3.98Å; W143-Y226 AromaticContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ3-CD1 4.24Å |
| 144 | V | 96.9 | Very high | 96 | Very high | 25 Ų | 25 | 43 Ų | 43 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | trans | -138.4 | 140.4 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | Y104 F106 P148 Y217 L254 | Y104-V144 CarbonylContact O-C 3.57Å; Y104-V144 WeakPolarHBondContact O-CA 3.32Å; F106-V144 HydrophobicContact CD2-CG1 4.11Å; V144-P148 HydrophobicContact CG1-CG 4.36Å; V144-Y217 VanDerWaalsContact CG2-OH 3.24Å; V144-Y217 WeakPolarHBondContact CG2-OH 3.43Å; V144-L254 HydrophobicContact CG1-CD2 4.5Å | ||
| 145 | S | 94.8 | Very high | 96 | Very high | 104 Ų | 104 | 42.4 Ų | 42.4 | 73% | 0.727 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -82.3 | -23 | 176.6 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | Y104 | Y104-S145 PolarHBondContact O-N 2.77Š|
| 146 | A | 94.1 | Very high | 96.2 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 41% | 0.405 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -142.4 | 146.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y104 P148 | Y104-A146 HydrophobicContact CD1-CB 4.15Å; Y104-A146 WeakPolarHBondContact CD1-O 3.43Å; A146-P148 VanDerWaalsContact O-CD 3.29Å; A146-P148 WeakPolarHBondContact O-CD 3.32Å |
| 147 | T | 94.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 37.8 Ų | 37.8 | 62% | 0.62 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -63.9 | 121.9 | -179.5 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 148 | P | 95.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 161.8 | 173.8 | -24.1 | 35.1 | 0 | 0 | 0 | 112.8 | Y104 V144 A146 S152 Y217 L254 | Y104-P148 HydrophobicContact CG-CG 4.46Å; V144-P148 HydrophobicContact CG1-CG 4.36Å; A146-P148 VanDerWaalsContact O-CD 3.29Å; A146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-S152 WeakPolarHBondContact CB-OG 3.01Å; P148-Y217 HydrophobicContact CB-CD1 4.48Å; P148-Y217 HydrophobicContact CG-CD1 4.22Å; P148-Y217 HydrophobicContact CG-CE1 3.93Å; P148-Y217 HydrophobicContact CG-CE2 4.38Å; P148-L254 HydrophobicContact CB-CD2 4.34Å; P148-L254 HydrophobicContact CG-CD1 4.4Å; P148-L254 HydrophobicContact CG-CD2 3.8Å |
| 149 | P | 95.4 | Very high | 96.4 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 38% | 0.377 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 154.1 | 177.8 | -22 | 35 | 0 | 0 | 0 | 112.4 | Y104 G151 S152 | Y104-P149 VanDerWaalsContact OH-CD 3.32Å; Y104-P149 WeakPolarHBondContact OH-CD 3.49Å; Y104-P149 VanDerWaalsContact OH-CG 3.31Å; Y104-P149 WeakPolarHBondContact OH-CG 3.28Å; P149-G151 PolarHBondContact O-N 3.05Å; P149-S152 WeakPolarHBondContact O-CB 3.34Å; P149-S152 PolarHBondContact O-N 3.49Å; P149-S152 VanDerWaalsContact O-N 3.14Å; P149-S152 PolarHBondContact O-OG 3.47Å; P149-S152 VanDerWaalsContact O-OG 3.08Å |
| 150 | A | 94.6 | Very high | 96.5 | Very high | 103 Ų | 103 | 34.4 Ų | 34.4 | 85% | 0.851 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 136.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 151 | G | 94.6 | Very high | 96.4 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 6.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P149 R153 S257 | P149-G151 PolarHBondContact O-N 3.05Å; G151-R153 WeakPolarHBondContact O-CG 3.31Å; G151-S257 WeakPolarHBondContact O-CA 3.38Å; G151-S257 PolarHBondContact O-N 3.37Å |
| 152 | S | 96.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | trans | -57.9 | 149.6 | 168.5 | -79.6 | 0 | 0 | 0 | 0 | 112.5 | P148 P149 Y217 E255 L262 | P148-S152 WeakPolarHBondContact CB-OG 3.01Å; P149-S152 WeakPolarHBondContact O-CB 3.34Å; P149-S152 PolarHBondContact O-N 3.49Å; P149-S152 VanDerWaalsContact O-N 3.14Å; P149-S152 PolarHBondContact O-OG 3.47Å; P149-S152 VanDerWaalsContact O-OG 3.08Å; S152-Y217 WeakPolarHBondContact O-CB 3.48Å; S152-Y217 PolarHBondContact O-N 3.3Å; S152-E255 CarbonylContact C-O 3.52Å; S152-E255 VanDerWaalsContact CA-O 3.22Å; S152-E255 WeakPolarHBondContact CA-O 3.13Å; S152-L262 WeakPolarHBondContact OG-CD1 3.32Å | ||
| 153 | R | 96.8 | Very high | 96 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.8 | -173.9 | -55.4 | 178 | 69.1 | -176.6 | 0.5 | 110.2 | G151 E201 V214 V215 E255 | G151-R153 WeakPolarHBondContact O-CG 3.31Å; R153-E201 IonicContact CZ-OE1 2.64Å; R153-E201 IonicContact CZ-OE2 3.23Å; R153-E201 IonicContact NH1-OE2 3.88Å; R153-E201 IonicContact NH2-OE1 3.69Å; R153-E201 PolarHBondContact NH2-OE1 3.5Å; R153-E201 IonicContact NH2-OE2 3.61Å; R153-E201 PolarHBondContact NH2-OE2 3.33Å; R153-V214 HydrophobicContact CB-CG1 3.69Å; R153-V214 HydrophobicContact CG-CG1 4.41Å; R153-V214 VanDerWaalsContact NH2-CG1 3.31Å; R153-V215 CarbonylContact C-O 3.58Å; R153-V215 WeakPolarHBondContact CA-O 3.2Å; R153-E255 PolarHBondContact N-O 2.88Å; R153-E255 PolarHBondContact O-N 3.27Å |
| 154 | V | 97.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | L142 V214 V215 Y217 I229 I252 T253 L254 | L142-V154 HydrophobicContact CD1-CB 4.39Å; L142-V154 HydrophobicContact CD1-CG1 4.05Å; L142-V154 HydrophobicContact CD1-CG2 3.67Å; V154-V214 WeakPolarHBondContact O-CA 3.31Å; V154-V215 HydrophobicContact CB-CG2 4.17Å; V154-V215 PolarHBondContact N-O 3.34Å; V154-V215 PolarHBondContact O-N 3.13Å; V154-Y217 HydrophobicContact CG2-CD2 4.1Å; V154-I229 HydrophobicContact CB-CD1 3.89Å; V154-I229 HydrophobicContact CG1-CD1 3.71Å; V154-I229 HydrophobicContact CG2-CD1 4.25Å; V154-I252 HydrophobicContact CG1-CG2 3.58Å; V154-T253 WeakPolarHBondContact CA-O 3.23Å; V154-L254 HydrophobicContact CG2-CD1 4.08Å |
| 155 | R | 97.7 | Very high | 95.6 | Very high | 42 Ų | 42 | 52 Ų | 52 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.9 | 179.4 | 178 | -172.1 | -51.8 | -82.2 | -6.7 | 110.7 | S212 V213 V214 I252 T253 E255 | R155-S212 PolarHBondContact NH1-OG 2.97Å; R155-V213 CarbonylContact C-O 3.48Å; R155-V213 VanDerWaalsContact CA-O 3.29Å; R155-V213 WeakPolarHBondContact CA-O 3.4Å; R155-V214 HydrophobicContact CB-CG2 3.93Å; R155-V214 HydrophobicContact CG-CG2 3.88Å; R155-I252 CarbonylContact O-C 3.54Å; R155-I252 VanDerWaalsContact O-CA 3.3Å; R155-I252 WeakPolarHBondContact O-CA 3.35Å; R155-T253 WeakPolarHBondContact CB-OG1 3.44Å; R155-T253 PolarHBondContact N-O 2.89Å; R155-T253 PolarHBondContact O-N 3.47Å; R155-E255 WeakPolarHBondContact CB-OE1 3.15Å; R155-E255 VanDerWaalsContact CD-OE1 3.31Å; R155-E255 WeakPolarHBondContact CD-OE1 3.23Å; R155-E255 IonicContact CZ-OE1 3.42Å; R155-E255 IonicContact CZ-OE2 3.69Å; R155-E255 VanDerWaalsContact NE-CD 3.33Å; R155-E255 IonicContact NE-OE1 2.63Å; R155-E255 PolarHBondContact NE-OE1 2.88Å; R155-E255 IonicContact NE-OE2 3.26Å; R155-E255 PolarHBondContact NE-OE2 2.78Å; R155-E255 IonicContact NH2-OE2 3.55Å; R155-E255 PolarHBondContact NH2-OE2 2.83Å |
| 156 | A | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | I192 S212 V213 Y231 I251 I252 | A156-I192 HydrophobicContact CB-CD1 4.45Å; A156-I192 HydrophobicContact CB-CG2 4.26Å; A156-S212 WeakPolarHBondContact O-CA 3.48Å; A156-V213 HydrophobicContact CB-CG1 3.94Å; A156-V213 PolarHBondContact N-O 3.37Å; A156-V213 PolarHBondContact O-N 2.87Å; A156-V213 VanDerWaalsContact O-N 3.07Å; A156-Y231 HydrophobicContact CB-CD1 4.3Å; A156-Y231 HydrophobicContact CB-CE1 3.51Å; A156-I251 WeakPolarHBondContact CA-O 3.41Å; A156-I252 HydrophobicContact CB-CD1 3.58Å |
| 157 | M | 97.5 | Very high | 95.4 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 14% | 0.143 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.5 | 177.4 | -176.8 | -178.6 | -68.6 | 0 | 0 | 110.5 | P95 R210 I251 | P95-M157 HydrophobicContact CB-SD 4.36Å; P95-M157 HydrophobicContact CG-SD 3.9Å; M157-R210 HydrophobicContact CE-CB 4.04Å; M157-R210 HydrophobicContact SD-CB 4.05Å; M157-I251 PolarHBondContact N-O 2.88Å; M157-I251 PolarHBondContact O-N 2.94Å |
| 158 | A | 97.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V170 L191 I192 L249 | A158-V170 HydrophobicContact CB-CB 3.95Å; A158-V170 HydrophobicContact CB-CG1 3.89Å; A158-V170 HydrophobicContact CB-CG2 4.15Å; A158-L191 HydrophobicContact CB-CD2 4.36Å; A158-I192 HydrophobicContact CB-CD1 3.9Å; A158-I192 HydrophobicContact CB-CG1 4.49Å; A158-L249 WeakPolarHBondContact CA-O 3.35Å |
| 159 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.1 | 167.9 | 62.3 | 166.3 | 0 | 0 | 0 | 110.6 | P95 Q97 M166 I248 L249 I251 | P95-I159 HydrophobicContact CG-CG2 3.49Å; P95-I159 VanDerWaalsContact CG-CG2 3.49Å; Q97-I159 HydrophobicContact CB-CD1 4.5Å; I159-M166 HydrophobicContact CD1-CE 3.85Å; I159-I248 CarbonylContact O-C 3.43Å; I159-I248 WeakPolarHBondContact O-CA 3.39Å; I159-I248 WeakPolarHBondContact O-CB 3.29Å; I159-L249 HydrophobicContact CD1-CD2 4.34Å; I159-L249 HydrophobicContact CG1-CB 3.97Å; I159-L249 PolarHBondContact N-O 3.33Å; I159-L249 PolarHBondContact O-N 2.77Å; I159-I251 HydrophobicContact CD1-CD1 3.73Å; I159-I251 HydrophobicContact CG1-CD1 4.03Å; I159-I251 HydrophobicContact CG1-CG1 4.49Å; I159-I251 HydrophobicContact CG2-CD1 4.36Å |
| 160 | Y | 97.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 141.3 | 168.6 | -67.6 | -68.3 | 0 | 0 | 0 | 110.7 | H165 M166 E168 V170 G242 M243 R246 I248 | Y160-H165 HydrophobicContact CD2-CB 4.03Å; Y160-H165 WeakPolarHBondContact CD2-O 3.47Å; Y160-H165 HydrophobicContact CG-CB 3.9Å; Y160-M166 WeakPolarHBondContact O-CG 3.36Å; Y160-E168 HydrophobicContact CD2-CB 3.96Å; Y160-E168 HydrophobicContact CE2-CB 3.92Å; Y160-V170 HydrophobicContact CD1-CG2 4.31Å; Y160-V170 HydrophobicContact CD2-CG2 3.85Å; Y160-V170 HydrophobicContact CE1-CG2 4.24Å; Y160-V170 HydrophobicContact CE2-CG2 3.78Å; Y160-V170 HydrophobicContact CG-CG2 4.12Å; Y160-G242 PolarHBondContact OH-O 3.4Å; Y160-M243 HydrophobicContact CE1-CB 4.33Å; Y160-M243 HydrophobicContact CE1-CG 4.19Å; Y160-R246 HydrophobicContact CD1-CB 3.62Å; Y160-R246 HydrophobicContact CE1-CB 3.76Å; Y160-R246 PolarHBondContact OH-NH2 2.72Å; Y160-R246 VanDerWaalsContact OH-NH2 3.08Å; Y160-I248 HydrophobicContact CD1-CG2 3.7Å; Y160-I248 HydrophobicContact CE1-CG2 3.87Å |
| 161 | K | 96.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 40.9 Ų | 40.9 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -78 | -34.5 | -178.3 | 178.2 | 172.2 | 173.9 | 169.5 | 0 | 113.3 | P247 E268 | K161-P247 HydrophobicContact CB-CB 4.24Å; K161-P247 PolarHBondContact N-O 3.04Å; K161-E268 HydrophobicContact CD-CG 4.46Å; K161-E268 VanDerWaalsContact CD-OE2 3.25Å; K161-E268 WeakPolarHBondContact CD-OE2 3.37Å; K161-E268 WeakPolarHBondContact CE-OE2 3.4Å; K161-E268 IonicContact NZ-OE2 2.78Å; K161-E268 PolarHBondContact NZ-OE2 3.02Å |
| 162 | K | 94.2 | Very high | 95.4 | Very high | 109 Ų | 109 | 38.8 Ų | 38.8 | 47% | 0.474 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -75.5 | 131.2 | -177.9 | -66.6 | -173.4 | 177.4 | -175.3 | 0 | 110.1 | Q164 H165 M166 | K162-Q164 HydrophobicContact CB-CG 4.18Å; K162-Q164 PolarHBondContact O-N 2.88Å; K162-Q164 VanDerWaalsContact O-N 3.12Å; K162-H165 PolarHBondContact O-N 3.34Å; K162-M166 WeakPolarHBondContact O-CG 3.33Å; K162-M166 PolarHBondContact O-N 3.45Å |
| 163 | S | 92.2 | Very high | 95.4 | Very high | 104 Ų | 104 | 38.8 Ų | 38.8 | 73% | 0.727 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -48.8 | -41.6 | -179 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | H165 M166 | S163-H165 PolarHBondContact O-N 3.36Å; S163-H165 VanDerWaalsContact O-N 3.11Å; S163-M166 PolarHBondContact O-N 3.19Å |
| 164 | Q | 93.1 | Very high | 95.3 | Very high | 128 Ų | 128 | 39 Ų | 39 | 60% | 0.598 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -61.8 | -17.9 | 179.5 | 73.6 | -167.8 | 26.7 | 0 | 0 | 114.9 | K162 | K162-Q164 HydrophobicContact CB-CG 4.18Å; K162-Q164 PolarHBondContact O-N 2.88Å; K162-Q164 VanDerWaalsContact O-N 3.12Å |
| 165 | H | 92.6 | Very high | 95.1 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -120.8 | 0.2 | -178.6 | -57.9 | -58.4 | 0 | 0 | 0 | 113.3 | Y160 K162 S163 T167 E168 R246 | Y160-H165 HydrophobicContact CD2-CB 4.03Å; Y160-H165 WeakPolarHBondContact CD2-O 3.47Å; Y160-H165 HydrophobicContact CG-CB 3.9Å; K162-H165 PolarHBondContact O-N 3.34Å; S163-H165 PolarHBondContact O-N 3.36Å; S163-H165 VanDerWaalsContact O-N 3.11Å; H165-T167 PolarHBondContact O-N 3.1Å; H165-E168 IonicContact CE1-OE1 2.69Å; H165-E168 IonicContact CG-OE1 3.02Å; H165-E168 IonicContact ND1-OE1 2.59Å; H165-E168 PolarHBondContact ND1-OE1 2.88Å; H165-E168 WeakPolarHBondContact O-CB 3.38Å; H165-E168 PolarHBondContact O-N 2.87Å; H165-R246 WeakPolarHBondContact CD2-CD 3.42Å; H165-R246 WeakPolarHBondContact NE2-CD 3.12Å |
| 166 | M | 92.3 | Very high | 95 | Very high | 32 Ų | 32 | 45 Ų | 45 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -28.5 | -172.8 | -69.5 | -172 | 89.1 | 0 | 0 | 113.3 | V94 I159 Y160 K162 S163 E168 R210 | V94-M166 HydrophobicContact CG1-CB 3.99Å; V94-M166 HydrophobicContact CG1-CE 3.93Å; V94-M166 HydrophobicContact CG2-CB 4.09Å; I159-M166 HydrophobicContact CD1-CE 3.85Å; Y160-M166 WeakPolarHBondContact O-CG 3.36Å; K162-M166 WeakPolarHBondContact O-CG 3.33Å; K162-M166 PolarHBondContact O-N 3.45Å; S163-M166 PolarHBondContact O-N 3.19Å; M166-E168 VanDerWaalsContact C-N 3.31Å; M166-R210 PolarHBondContact O-NH2 3.36Å |
| 167 | T | 92.5 | Very high | 94.7 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 31% | 0.307 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.5 | 176.9 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | S91 V94 H165 | S91-T167 WeakPolarHBondContact CA-O 3.36Å; S91-T167 VanDerWaalsContact CB-O 3.23Å; S91-T167 WeakPolarHBondContact CB-O 3.47Å; S91-T167 PolarHBondContact N-O 3.44Å; S91-T167 VanDerWaalsContact O-CB 3.31Å; S91-T167 WeakPolarHBondContact O-CB 3.41Å; V94-T167 HydrophobicContact CG2-CG2 3.88Å; H165-T167 PolarHBondContact O-N 3.1Å |
| 168 | E | 93.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -76.1 | 146.9 | 176.7 | -63.2 | -178.2 | -130.1 | 0 | 0 | 111.3 | L90 Y160 H165 M166 R210 R246 | L90-E168 HydrophobicContact CD2-CG 3.73Å; Y160-E168 HydrophobicContact CD2-CB 3.96Å; Y160-E168 HydrophobicContact CE2-CB 3.92Å; H165-E168 IonicContact CE1-OE1 2.69Å; H165-E168 IonicContact CG-OE1 3.02Å; H165-E168 IonicContact ND1-OE1 2.59Å; H165-E168 PolarHBondContact ND1-OE1 2.88Å; H165-E168 WeakPolarHBondContact O-CB 3.38Å; H165-E168 PolarHBondContact O-N 2.87Å; M166-E168 VanDerWaalsContact C-N 3.31Å; E168-R210 PolarHBondContact O-NH1 2.93Å; E168-R246 VanDerWaalsContact CD-NH1 3.25Å; E168-R246 IonicContact OE1-NH1 3.34Å; E168-R246 PolarHBondContact OE1-NH1 3.17Å; E168-R246 IonicContact OE2-CZ 2.76Å; E168-R246 IonicContact OE2-NH1 3.8Å; E168-R246 PolarHBondContact OE2-NH1 3.26Å; E168-R246 IonicContact OE2-NH2 3.9Å |
| 169 | V | 94.7 | Very high | 93.7 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | trans | -80.6 | 132.7 | 174.8 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | R171 F209 R210 | V169-R171 HydrophobicContact CB-CG 4.43Å; V169-R171 HydrophobicContact CG1-CG 3.84Å; V169-R171 PolarHBondContact O-N 2.88Å; V169-F209 VanDerWaalsContact CG1-O 3.28Å; V169-F209 WeakPolarHBondContact CG1-O 3.46Å; V169-F209 HydrophobicContact CG2-CB 4.17Å; V169-R210 HydrophobicContact CG2-CG 4.39Å | ||
| 170 | V | 96.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | trans | -78.9 | 114.9 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | A158 Y160 L191 M243 I248 | A158-V170 HydrophobicContact CB-CB 3.95Å; A158-V170 HydrophobicContact CB-CG1 3.89Å; A158-V170 HydrophobicContact CB-CG2 4.15Å; Y160-V170 HydrophobicContact CD1-CG2 4.31Å; Y160-V170 HydrophobicContact CD2-CG2 3.85Å; Y160-V170 HydrophobicContact CE1-CG2 4.24Å; Y160-V170 HydrophobicContact CE2-CG2 3.78Å; Y160-V170 HydrophobicContact CG-CG2 4.12Å; V170-L191 HydrophobicContact CG1-CD2 3.46Å; V170-L191 VanDerWaalsContact CG1-CD2 3.46Å; V170-M243 HydrophobicContact CG1-CG 4.28Å; V170-I248 HydrophobicContact CG1-CG2 4.2Å; V170-I248 HydrophobicContact CG2-CG2 4.15Å | ||
| 171 | R | 94.2 | Very high | 90.9 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | trans | -127.1 | 162.4 | 178.6 | -60.5 | -167.3 | 163.5 | 142.2 | -7.6 | 111.3 | V169 E204 H211 | V169-R171 HydrophobicContact CB-CG 4.43Å; V169-R171 HydrophobicContact CG1-CG 3.84Å; V169-R171 PolarHBondContact O-N 2.88Å; R171-E204 IonicContact NH2-OE1 2.86Å; R171-E204 PolarHBondContact NH2-OE1 2.82Å; R171-H211 PolarHBondContact NE-CE1 2.91Å; R171-H211 PolarHBondContact NE-NE2 3.38Å | ||
| 172 | R | 96 | Very high | 89 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | trans | -67.6 | 159 | 166.9 | -62.4 | 178.3 | 81.2 | -160.5 | 4.3 | 109.5 | H176 D181 P188 H190 M234 C235 | R172-H176 PolarHBondContact NH1-O 3.05Å; R172-H176 PolarHBondContact NH2-O 2.83Å; R172-D181 IonicContact CZ-OD2 3.31Å; R172-D181 IonicContact NH2-OD2 2.87Å; R172-D181 PolarHBondContact NH2-OD2 2.97Å; R172-P188 WeakPolarHBondContact CD-O 3.44Å; R172-P188 PolarHBondContact NH1-O 2.96Å; R172-H190 WeakPolarHBondContact CD-O 3.39Å; R172-M234 PolarHBondContact NE-O 3.13Å; R172-M234 PolarHBondContact NH2-O 3.17Å; R172-M234 VanDerWaalsContact NH2-O 3.1Å; R172-C235 HydrophobicContact CB-CB 4.34Å; R172-C235 HydrophobicContact CG-CB 4.16Å | ||
| 173 | C | 96 | Very high | 87.5 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | trans | -71.6 | 155.4 | 171.9 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | H175 H176 E177 C239 M240 | C173-H175 PolarHBondContact O-N 2.88Å; C173-H176 PolarHBondContact O-N 2.9Å; C173-H176 PolarHBondContact SG-ND1 3.48Å; C173-H176 VanDerWaalsContact SG-ND1 3.36Å; C173-E177 WeakPolarHBondContact O-CB 3.35Å; C173-E177 PolarHBondContact O-N 3.29Å; C173-C239 HydrophobicContact CB-CB 4Å; C173-M240 WeakPolarHBondContact CB-O 3.28Å | ||
| 174 | P | 94.7 | Very high | 86.4 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.6 | -31.8 | 179.5 | -28.9 | 35.4 | 0 | 0 | 0 | 114.2 | R178 | P174-R178 WeakPolarHBondContact O-CB 3.29Å; P174-R178 WeakPolarHBondContact O-CD 3.21Å; P174-R178 WeakPolarHBondContact O-CG 3.43Å; P174-R178 PolarHBondContact O-N 2.8Å; P174-R178 VanDerWaalsContact O-N 3.15Å |
| 175 | H | 94.3 | Very high | 85.8 | Confident | 142 Ų | 142 | 63.9 Ų | 63.9 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.4 | -50.7 | 176.4 | 176.4 | -86.7 | 0 | 0 | 0 | 112.1 | C173 C179 | C173-H175 PolarHBondContact O-N 2.88Å; H175-C179 PolarHBondContact O-N 3.07Å |
| 176 | H | 93.6 | Very high | 85.6 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 13% | 0.125 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -75.6 | -30.3 | -179.7 | -76.3 | 142.7 | 0 | 0 | 0 | 112.5 | R172 C173 R178 C179 C235 C239 | R172-H176 PolarHBondContact NH1-O 3.05Å; R172-H176 PolarHBondContact NH2-O 2.83Å; C173-H176 PolarHBondContact O-N 2.9Å; C173-H176 PolarHBondContact SG-ND1 3.48Å; C173-H176 VanDerWaalsContact SG-ND1 3.36Å; H176-R178 VanDerWaalsContact C-N 3.32Å; H176-C179 PolarHBondContact O-N 3.49Å; H176-C179 VanDerWaalsContact O-O 3.1Å; H176-C235 PolarHBondContact ND1-SG 3.12Å; H176-C235 VanDerWaalsContact ND1-SG 3.45Å; H176-C239 PolarHBondContact CE1-SG 3.22Å |
| 177 | E | 92.5 | Very high | 85.6 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 174.3 | -173.5 | -179.2 | 175 | 0 | 0 | 112 | C173 C179 P188 Q189 | C173-E177 WeakPolarHBondContact O-CB 3.35Å; C173-E177 PolarHBondContact O-N 3.29Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-P188 WeakPolarHBondContact O-CB 3.34Å; E177-Q189 HydrophobicContact CG-CG 4.18Å; E177-Q189 WeakPolarHBondContact OE1-CG 3.06Å |
| 178 | R | 90.9 | Very high | 85.6 | Confident | 216 Ų | 216 | 63.3 Ų | 63.3 | 82% | 0.815 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.8 | -20.3 | 175.1 | -68.2 | 172.3 | -169.3 | -158.1 | 2.2 | 113.3 | P174 H176 S180 | P174-R178 WeakPolarHBondContact O-CB 3.29Å; P174-R178 WeakPolarHBondContact O-CD 3.21Å; P174-R178 WeakPolarHBondContact O-CG 3.43Å; P174-R178 PolarHBondContact O-N 2.8Å; P174-R178 VanDerWaalsContact O-N 3.15Å; H176-R178 VanDerWaalsContact C-N 3.32Å; R178-S180 PolarHBondContact O-N 3.21Å |
| 179 | C | 82.8 | Confident | 85.6 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -79.6 | 114.9 | 176 | -158.4 | 0 | 0 | 0 | 0 | 109.1 | H175 H176 E177 D181 | H175-C179 PolarHBondContact O-N 3.07Å; H176-C179 PolarHBondContact O-N 3.49Å; H176-C179 VanDerWaalsContact O-O 3.1Å; E177-C179 VanDerWaalsContact C-N 3.3Å; C179-D181 PolarHBondContact O-N 2.81Å; C179-D181 PolarHBondContact SG-OD1 3.4Å |
| 180 | S | 70.1 | Confident | 85.6 | Confident | 117 Ų | 117 | 63 Ų | 63 | 82% | 0.818 | 37% | 0.369 | S | S | * | . | trans | -74.6 | 72.4 | 173.8 | 58.6 | 0 | 0 | 0 | 0 | 110 | R178 G182 | R178-S180 PolarHBondContact O-N 3.21Å; S180-G182 PolarHBondContact O-N 2.86Å | ||
| 181 | D | 66.2 | Low | 85.6 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | trans | -72.7 | 113.8 | 173.6 | -59.9 | -39.9 | 0 | 0 | 0 | 108.4 | R172 C179 D183 R193 M234 | R172-D181 IonicContact CZ-OD2 3.31Å; R172-D181 IonicContact NH2-OD2 2.87Å; R172-D181 PolarHBondContact NH2-OD2 2.97Å; C179-D181 PolarHBondContact O-N 2.81Å; C179-D181 PolarHBondContact SG-OD1 3.4Å; D181-D183 PolarHBondContact O-N 2.95Å; D181-R193 PolarHBondContact O-NH1 3.46Å; D181-M234 HydrophobicContact CB-CE 4.35Å | ||
| 182 | G | 56.2 | Low | 85.7 | Confident | 66 Ų | 66 | 62 Ų | 62 | 68% | 0.68 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -47.2 | 117.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S180 | S180-G182 PolarHBondContact O-N 2.86Š|
| 183 | D | 62.3 | Low | 85.7 | Confident | 98 Ų | 98 | 62.4 Ų | 62.4 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | trans | 177.9 | 96.9 | 135.9 | -92.7 | -23.7 | 0 | 0 | 0 | 102.4 | D181 L185 A186 | D181-D183 PolarHBondContact O-N 2.95Å; D183-L185 PolarHBondContact O-N 2.73Å; D183-A186 PolarHBondContact O-N 3.3Å | ||
| 184 | G | 70.2 | Confident | 85.7 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 97% | 0.969 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -2.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 185 | L | 80.2 | Confident | 85.5 | Confident | 131 Ų | 131 | 63 Ų | 63 | 69% | 0.686 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -26.1 | 174.1 | -60.2 | 175.1 | 0 | 0 | 0 | 113.3 | D183 Y202 | D183-L185 PolarHBondContact O-N 2.73Å; L185-Y202 WeakPolarHBondContact O-CD2 3.49Å |
| 186 | A | 88.4 | Confident | 85 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 8% | 0.083 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -103.2 | 121.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D183 R193 Y202 | D183-A186 PolarHBondContact O-N 3.3Å; A186-R193 HydrophobicContact CB-CG 3.94Å; A186-Y202 HydrophobicContact CB-CD2 4.14Å; A186-Y202 HydrophobicContact CB-CE1 4Å; A186-Y202 HydrophobicContact CB-CE2 3.55Å; A186-Y202 VanDerWaalsContact CB-CZ 3.48Å |
| 187 | P | 92 | Very high | 84.5 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | trans | -56.5 | 138.9 | 177.4 | -22.4 | 31.6 | 0 | 0 | 0 | 111.3 | Q189 H190 Y202 | P187-Q189 VanDerWaalsContact CB-OE1 3.23Å; P187-Q189 PolarHBondContact O-N 3.34Å; P187-H190 PolarHBondContact O-N 3.13Å; P187-H190 VanDerWaalsContact O-N 3.16Å; P187-Y202 VanDerWaalsContact CD-CB 3.41Å | ||
| 188 | P | 92.9 | Very high | 83.7 | Confident | 52 Ų | 52 | 65 Ų | 65 | 34% | 0.338 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.1 | -172.4 | 23.4 | -32.8 | 0 | 0 | 0 | 113.4 | R172 E177 | R172-P188 WeakPolarHBondContact CD-O 3.44Å; R172-P188 PolarHBondContact NH1-O 2.96Å; E177-P188 WeakPolarHBondContact O-CB 3.34Å |
| 189 | Q | 93 | Very high | 83.4 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -19.3 | -178.9 | -50 | 85.8 | -2.1 | 0 | 0 | 113.6 | E177 P187 L191 H211 | E177-Q189 HydrophobicContact CG-CG 4.18Å; E177-Q189 WeakPolarHBondContact OE1-CG 3.06Å; P187-Q189 VanDerWaalsContact CB-OE1 3.23Å; P187-Q189 PolarHBondContact O-N 3.34Å; Q189-L191 PolarHBondContact O-N 3.45Å; Q189-H211 PolarHBondContact O-CE1 3.15Å; Q189-H211 PolarHBondContact O-ND1 3.08Å |
| 190 | H | 95.1 | Very high | 83.9 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.028 | 38% | 0.382 | C | S | . | . | trans | -76.1 | 124.8 | -175 | -78.3 | -121.9 | 0 | 0 | 0 | 111.5 | R172 P187 Y202 L203 S212 | R172-H190 WeakPolarHBondContact CD-O 3.39Å; P187-H190 PolarHBondContact O-N 3.13Å; P187-H190 VanDerWaalsContact O-N 3.16Å; H190-Y202 HydrophobicContact CB-CD1 4.22Å; H190-Y202 AromaticContact CG-CD1 3.96Å; H190-Y202 AromaticContact ND1-CD1 3.52Å; H190-L203 PolarHBondContact CE1-O 3.46Å; H190-S212 PolarHBondContact CE1-O 3.1Å; H190-S212 VanDerWaalsContact CE1-O 3.27Å; H190-S212 PolarHBondContact ND1-O 3.27Å | ||
| 191 | L | 96.4 | Very high | 85.1 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -71.3 | -44.6 | 176.1 | 174.7 | 64.5 | 0 | 0 | 0 | 112.1 | A158 V170 Q189 Y233 M234 C235 M243 I248 | A158-L191 HydrophobicContact CB-CD2 4.36Å; V170-L191 HydrophobicContact CG1-CD2 3.46Å; V170-L191 VanDerWaalsContact CG1-CD2 3.46Å; Q189-L191 PolarHBondContact O-N 3.45Å; L191-Y233 HydrophobicContact CD2-CD1 4.5Å; L191-Y233 HydrophobicContact CG-CD1 4.35Å; L191-Y233 WeakPolarHBondContact O-CA 3.4Å; L191-M234 WeakPolarHBondContact O-CG 3.27Å; L191-M234 PolarHBondContact O-N 3.1Å; L191-C235 HydrophobicContact CD1-CB 3.55Å; L191-M243 HydrophobicContact CD1-CE 3.9Å; L191-M243 HydrophobicContact CD2-CE 4.06Å; L191-M243 HydrophobicContact CD2-SD 3.99Å; L191-I248 HydrophobicContact CD2-CD1 3.78Å |
| 192 | I | 97 | Very high | 86.5 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.4 | -176.4 | -56.1 | 175.2 | 0 | 0 | 0 | 108.1 | A156 A158 V213 Y231 K232 Y233 T250 | A156-I192 HydrophobicContact CB-CD1 4.45Å; A156-I192 HydrophobicContact CB-CG2 4.26Å; A158-I192 HydrophobicContact CB-CD1 3.9Å; A158-I192 HydrophobicContact CB-CG1 4.49Å; I192-V213 HydrophobicContact CB-CG1 4.43Å; I192-V213 HydrophobicContact CG2-CG1 3.93Å; I192-Y231 HydrophobicContact CG2-CD1 3.65Å; I192-Y231 HydrophobicContact CG2-CE1 4.31Å; I192-Y231 HydrophobicContact CG2-CG 4.39Å; I192-K232 WeakPolarHBondContact CA-O 3.33Å; I192-Y233 HydrophobicContact CD1-CE1 4.11Å; I192-Y233 HydrophobicContact CG1-CD1 4.06Å; I192-Y233 HydrophobicContact CG1-CE1 3.73Å; I192-T250 HydrophobicContact CD1-CG2 3.92Å |
| 193 | R | 95.6 | Very high | 88.3 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 154.9 | 170.5 | -65.6 | -173.3 | -177.5 | 179.3 | -1.4 | 110.7 | D181 A186 Y202 Y231 K232 M234 | D181-R193 PolarHBondContact O-NH1 3.46Å; A186-R193 HydrophobicContact CB-CG 3.94Å; R193-Y202 WeakPolarHBondContact CA-OH 3.21Å; R193-Y202 HydrophobicContact CB-CE1 4.4Å; R193-Y202 WeakPolarHBondContact CB-OH 3.29Å; R193-Y202 HydrophobicContact CG-CE1 4.13Å; R193-Y231 CarbonylContact O-C 3.51Å; R193-Y231 VanDerWaalsContact O-CA 3.29Å; R193-Y231 WeakPolarHBondContact O-CA 3.38Å; R193-K232 HydrophobicContact CB-CB 4.37Å; R193-K232 PolarHBondContact N-O 3.33Å; R193-K232 PolarHBondContact O-N 3.42Å; R193-M234 HydrophobicContact CB-CG 4.41Å; R193-M234 HydrophobicContact CB-SD 4.5Å; R193-M234 HydrophobicContact CG-CG 3.74Å; R193-M234 HydrophobicContact CG-SD 4.3Å |
| 194 | V | 95.1 | Very high | 89.8 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.9 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 109 | N197 P200 Y202 V213 V215 I229 H230 Y231 | V194-N197 HydrophobicContact CG1-CB 3.86Å; V194-P200 HydrophobicContact CB-CB 4.35Å; V194-Y202 PolarHBondContact N-OH 2.83Å; V194-Y202 VanDerWaalsContact N-OH 3.11Å; V194-V213 HydrophobicContact CB-CG2 4.44Å; V194-V213 HydrophobicContact CG2-CB 4.46Å; V194-V213 HydrophobicContact CG2-CG1 3.88Å; V194-V213 HydrophobicContact CG2-CG2 3.71Å; V194-V215 HydrophobicContact CB-CG1 4.23Å; V194-V215 HydrophobicContact CG1-CG1 3.99Å; V194-V215 HydrophobicContact CG2-CG1 4.06Å; V194-I229 HydrophobicContact CG1-CG2 3.93Å; V194-I229 HydrophobicContact CG2-CG2 4.37Å; V194-H230 WeakPolarHBondContact CA-O 3.33Å; V194-Y231 HydrophobicContact CG2-CD1 3.81Å; V194-Y231 HydrophobicContact CG2-CE1 3.68Å |
| 195 | E | 91.5 | Very high | 90.9 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 147.5 | 175.8 | 175.6 | 173.8 | -132.7 | 0 | 0 | 110.6 | T137 N197 H230 K232 | T137-E195 WeakPolarHBondContact CB-OE2 3.47Å; T137-E195 WeakPolarHBondContact CG2-OE2 3.46Å; T137-E195 PolarHBondContact OG1-OE2 2.83Å; E195-N197 PolarHBondContact O-N 3.37Å; E195-H230 HydrophobicContact CB-CB 4.18Å; E195-H230 PolarHBondContact N-O 3.34Å; E195-K232 HydrophobicContact CB-CD 4.45Å; E195-K232 WeakPolarHBondContact OE1-CE 3.43Å; E195-K232 IonicContact OE1-NZ 3.21Å; E195-K232 PolarHBondContact OE1-NZ 3.5Å; E195-K232 WeakPolarHBondContact OE2-CE 3.44Å; E195-K232 IonicContact OE2-NZ 3.95Å |
| 196 | G | 84.2 | Confident | 91.4 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 84% | 0.835 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 74.9 | 1.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 197 | N | 82.5 | Confident | 91.4 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 19% | 0.187 | 35% | 0.348 | C | S | . | . | trans | -99.9 | 137.1 | 170.6 | -164.6 | -71 | 0 | 0 | 0 | 109.7 | V194 E195 Y199 P200 V215 | V194-N197 HydrophobicContact CG1-CB 3.86Å; E195-N197 PolarHBondContact O-N 3.37Å; N197-Y199 PolarHBondContact OD1-N 3.22Å; N197-P200 WeakPolarHBondContact O-CD 3.45Å; N197-V215 HydrophobicContact CB-CG1 4.17Å | ||
| 198 | L | 76.1 | Confident | 91.3 | Very high | 140 Ų | 140 | 68.1 Ų | 68.1 | 73% | 0.733 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -80.8 | -20.7 | -177.9 | -66.2 | 176.2 | 0 | 0 | 0 | 113.5 | P200 | L198-P200 VanDerWaalsContact C-CD 3.42Š|
| 199 | Y | 84.9 | Confident | 91.3 | Very high | 169 Ų | 169 | 69.2 Ų | 69.2 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | trans | -131.5 | 50.5 | -173.4 | -52.7 | -74.5 | 0 | 0 | 0 | 113.4 | N197 E201 | N197-Y199 PolarHBondContact OD1-N 3.22Å; Y199-E201 PolarHBondContact O-N 3.12Å | ||
| 200 | P | 92.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | trans | -70 | 122.1 | 171.7 | 30.7 | -33.5 | 0 | 0 | 0 | 110.2 | V194 N197 L198 Y202 V213 V215 | V194-P200 HydrophobicContact CB-CB 4.35Å; N197-P200 WeakPolarHBondContact O-CD 3.45Å; L198-P200 VanDerWaalsContact C-CD 3.42Å; P200-Y202 HydrophobicContact CB-CE2 3.87Å; P200-Y202 HydrophobicContact CG-CE2 3.93Å; P200-V213 HydrophobicContact CB-CG2 4.14Å; P200-V215 HydrophobicContact CB-CG1 4.17Å | ||
| 201 | E | 94.7 | Very high | 91.5 | Very high | 95 Ų | 95 | 67.1 Ų | 67.1 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 113.3 | 172.1 | -72.4 | 177.1 | -135.8 | 0 | 0 | 109.4 | R153 Y199 L203 V213 V214 | R153-E201 IonicContact CZ-OE1 2.64Å; R153-E201 IonicContact CZ-OE2 3.23Å; R153-E201 IonicContact NH1-OE2 3.88Å; R153-E201 IonicContact NH2-OE1 3.69Å; R153-E201 PolarHBondContact NH2-OE1 3.5Å; R153-E201 IonicContact NH2-OE2 3.61Å; R153-E201 PolarHBondContact NH2-OE2 3.33Å; Y199-E201 PolarHBondContact O-N 3.12Å; E201-L203 HydrophobicContact CB-CD1 4.09Å; E201-L203 WeakPolarHBondContact O-CD1 3.38Å; E201-V213 CarbonylContact O-C 3.57Å; E201-V213 WeakPolarHBondContact O-CA 3.31Å; E201-V214 HydrophobicContact CB-CB 4.47Å; E201-V214 PolarHBondContact N-O 3.23Å; E201-V214 PolarHBondContact O-N 2.79Å |
| 202 | Y | 95.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 67.2 Ų | 67.2 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.4 | 173.5 | -67.1 | -84.5 | 0 | 0 | 0 | 109.5 | L185 A186 P187 H190 R193 V194 P200 V213 | L185-Y202 WeakPolarHBondContact O-CD2 3.49Å; A186-Y202 HydrophobicContact CB-CD2 4.14Å; A186-Y202 HydrophobicContact CB-CE1 4Å; A186-Y202 HydrophobicContact CB-CE2 3.55Å; A186-Y202 VanDerWaalsContact CB-CZ 3.48Å; P187-Y202 VanDerWaalsContact CD-CB 3.41Å; H190-Y202 HydrophobicContact CB-CD1 4.22Å; H190-Y202 AromaticContact CG-CD1 3.96Å; H190-Y202 AromaticContact ND1-CD1 3.52Å; R193-Y202 WeakPolarHBondContact CA-OH 3.21Å; R193-Y202 HydrophobicContact CB-CE1 4.4Å; R193-Y202 WeakPolarHBondContact CB-OH 3.29Å; R193-Y202 HydrophobicContact CG-CE1 4.13Å; V194-Y202 PolarHBondContact N-OH 2.83Å; V194-Y202 VanDerWaalsContact N-OH 3.11Å; P200-Y202 HydrophobicContact CB-CE2 3.87Å; P200-Y202 HydrophobicContact CG-CE2 3.93Å; Y202-V213 HydrophobicContact CD1-CB 3.83Å; Y202-V213 HydrophobicContact CD1-CG2 3.77Å; Y202-V213 HydrophobicContact CE1-CB 3.82Å; Y202-V213 HydrophobicContact CE1-CG2 3.53Å; Y202-V213 HydrophobicContact CE2-CG2 4.43Å; Y202-V213 HydrophobicContact CG-CG2 4.33Å |
| 203 | L | 94.5 | Very high | 91.5 | Very high | 62 Ų | 62 | 66.9 Ų | 66.9 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133 | -178.2 | -61.5 | 107.2 | 0 | 0 | 0 | 111.7 | H190 E201 S212 V214 | H190-L203 PolarHBondContact CE1-O 3.46Å; E201-L203 HydrophobicContact CB-CD1 4.09Å; E201-L203 WeakPolarHBondContact O-CD1 3.38Å; L203-S212 PolarHBondContact N-O 2.88Å; L203-S212 PolarHBondContact O-N 2.91Å; L203-V214 HydrophobicContact CD1-CB 4.07Å; L203-V214 HydrophobicContact CD1-CG2 3.4Å |
| 204 | E | 94.5 | Very high | 91.6 | Very high | 96 Ų | 96 | 66.3 Ų | 66.3 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118.4 | 161.2 | -179.1 | 171.5 | -168 | 0 | 0 | 108.4 | R171 R206 H211 | R171-E204 IonicContact NH2-OE1 2.86Å; R171-E204 PolarHBondContact NH2-OE1 2.82Å; E204-R206 PolarHBondContact O-N 3.04Å; E204-H211 IonicContact OE1-NE2 2.9Å |
| 205 | D | 92.5 | Very high | 91.6 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | trans | -69 | 126.1 | 178.4 | -177.7 | -41.6 | 0 | 0 | 0 | 110.4 | Q207 T208 F209 R210 | D205-Q207 VanDerWaalsContact C-N 3.27Å; D205-Q207 PolarHBondContact O-N 2.87Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.5Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.45Å; D205-Q207 PolarHBondContact OD1-N 2.96Å; D205-T208 WeakPolarHBondContact CB-OG1 3.19Å; D205-T208 PolarHBondContact OD1-N 3.34Å; D205-T208 PolarHBondContact OD2-OG1 2.82Å; D205-T208 VanDerWaalsContact OD2-OG1 3.06Å; D205-F209 WeakPolarHBondContact O-CA 3.1Å; D205-F209 PolarHBondContact O-N 3.22Å; D205-R210 PolarHBondContact N-O 3.11Å; D205-R210 VanDerWaalsContact N-O 3.1Å | ||
| 206 | R | 90.1 | Very high | 91.8 | Very high | 234 Ų | 234 | 65.5 Ų | 65.5 | 88% | 0.883 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.5 | -176.9 | -67.3 | -174.4 | 176.2 | 175.3 | -0.9 | 114.4 | E204 | E204-R206 PolarHBondContact O-N 3.04Š|
| 207 | Q | 88.5 | Confident | 92.4 | Very high | 160 Ų | 160 | 63 Ų | 63 | 75% | 0.748 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -43.4 | -178.8 | -63.8 | -177.9 | -11.9 | 0 | 0 | 111.2 | D205 | D205-Q207 VanDerWaalsContact C-N 3.27Å; D205-Q207 PolarHBondContact O-N 2.87Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.5Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.45Å; D205-Q207 PolarHBondContact OD1-N 2.96Å |
| 208 | T | 90.7 | Very high | 92.9 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -13.6 | -174.7 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | S91 F93 D205 R210 | S91-T208 WeakPolarHBondContact CB-O 3.44Å; S91-T208 WeakPolarHBondContact OG-CA 3.2Å; S91-T208 WeakPolarHBondContact OG-CB 3.37Å; S91-T208 PolarHBondContact OG-O 2.82Å; F93-T208 HydrophobicContact CB-CG2 4.02Å; F93-T208 HydrophobicContact CD2-CG2 4.43Å; D205-T208 WeakPolarHBondContact CB-OG1 3.19Å; D205-T208 PolarHBondContact OD1-N 3.34Å; D205-T208 PolarHBondContact OD2-OG1 2.82Å; D205-T208 VanDerWaalsContact OD2-OG1 3.06Å; T208-R210 PolarHBondContact O-N 3.48Å; T208-R210 VanDerWaalsContact O-N 3.1Å; T208-R210 PolarHBondContact OG1-N 3.46Å |
| 209 | F | 93.1 | Very high | 93.7 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | trans | 56.9 | 14.5 | -172.3 | -56.1 | -75.4 | 0 | 0 | 0 | 114 | P89 V169 D205 H211 | P89-F209 HydrophobicContact CB-CD2 4.43Å; P89-F209 HydrophobicContact CB-CE2 4.39Å; P89-F209 HydrophobicContact CG-CD2 4.01Å; P89-F209 HydrophobicContact CG-CE2 4.17Å; P89-F209 HydrophobicContact CG-CG 4.45Å; V169-F209 VanDerWaalsContact CG1-O 3.28Å; V169-F209 WeakPolarHBondContact CG1-O 3.46Å; V169-F209 HydrophobicContact CG2-CB 4.17Å; D205-F209 WeakPolarHBondContact O-CA 3.1Å; D205-F209 PolarHBondContact O-N 3.22Å; F209-H211 PolarHBondContact O-CD2 2.85Å | ||
| 210 | R | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | trans | -79.3 | 136.3 | -177.7 | -66.4 | -172.9 | -179.2 | -77.8 | 2.6 | 110.1 | F93 M157 M166 E168 V169 D205 T208 | F93-R210 PolarHBondContact O-NE 3.06Å; F93-R210 PolarHBondContact O-NH2 3.28Å; M157-R210 HydrophobicContact CE-CB 4.04Å; M157-R210 HydrophobicContact SD-CB 4.05Å; M166-R210 PolarHBondContact O-NH2 3.36Å; E168-R210 PolarHBondContact O-NH1 2.93Å; V169-R210 HydrophobicContact CG2-CG 4.39Å; D205-R210 PolarHBondContact N-O 3.11Å; D205-R210 VanDerWaalsContact N-O 3.1Å; T208-R210 PolarHBondContact O-N 3.48Å; T208-R210 VanDerWaalsContact O-N 3.1Å; T208-R210 PolarHBondContact OG1-N 3.46Å | ||
| 211 | H | 96.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.1 | 175.7 | -55.7 | 169 | 0 | 0 | 0 | 109.1 | R171 Q189 E204 F209 | R171-H211 PolarHBondContact NE-CE1 2.91Å; R171-H211 PolarHBondContact NE-NE2 3.38Å; Q189-H211 PolarHBondContact O-CE1 3.15Å; Q189-H211 PolarHBondContact O-ND1 3.08Å; E204-H211 IonicContact OE1-NE2 2.9Å; F209-H211 PolarHBondContact O-CD2 2.85Å |
| 212 | S | 97 | Very high | 94.1 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 159 | 171.5 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | R155 A156 H190 L203 | R155-S212 PolarHBondContact NH1-OG 2.97Å; A156-S212 WeakPolarHBondContact O-CA 3.48Å; H190-S212 PolarHBondContact CE1-O 3.1Å; H190-S212 VanDerWaalsContact CE1-O 3.27Å; H190-S212 PolarHBondContact ND1-O 3.27Å; L203-S212 PolarHBondContact N-O 2.88Å; L203-S212 PolarHBondContact O-N 2.91Å |
| 213 | V | 96.9 | Very high | 94 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.2 | 169.5 | 59.7 | 0 | 0 | 0 | 0 | 108.2 | R155 A156 I192 V194 P200 E201 Y202 Y231 | R155-V213 CarbonylContact C-O 3.48Å; R155-V213 VanDerWaalsContact CA-O 3.29Å; R155-V213 WeakPolarHBondContact CA-O 3.4Å; A156-V213 HydrophobicContact CB-CG1 3.94Å; A156-V213 PolarHBondContact N-O 3.37Å; A156-V213 PolarHBondContact O-N 2.87Å; A156-V213 VanDerWaalsContact O-N 3.07Å; I192-V213 HydrophobicContact CB-CG1 4.43Å; I192-V213 HydrophobicContact CG2-CG1 3.93Å; V194-V213 HydrophobicContact CB-CG2 4.44Å; V194-V213 HydrophobicContact CG2-CB 4.46Å; V194-V213 HydrophobicContact CG2-CG1 3.88Å; V194-V213 HydrophobicContact CG2-CG2 3.71Å; P200-V213 HydrophobicContact CB-CG2 4.14Å; E201-V213 CarbonylContact O-C 3.57Å; E201-V213 WeakPolarHBondContact O-CA 3.31Å; Y202-V213 HydrophobicContact CD1-CB 3.83Å; Y202-V213 HydrophobicContact CD1-CG2 3.77Å; Y202-V213 HydrophobicContact CE1-CB 3.82Å; Y202-V213 HydrophobicContact CE1-CG2 3.53Å; Y202-V213 HydrophobicContact CE2-CG2 4.43Å; Y202-V213 HydrophobicContact CG-CG2 4.33Å; V213-Y231 HydrophobicContact CG1-CE1 4.47Å |
| 214 | V | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.4 | -178.4 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | R153 V154 R155 E201 L203 | R153-V214 HydrophobicContact CB-CG1 3.69Å; R153-V214 HydrophobicContact CG-CG1 4.41Å; R153-V214 VanDerWaalsContact NH2-CG1 3.31Å; V154-V214 WeakPolarHBondContact O-CA 3.31Å; R155-V214 HydrophobicContact CB-CG2 3.93Å; R155-V214 HydrophobicContact CG-CG2 3.88Å; E201-V214 HydrophobicContact CB-CB 4.47Å; E201-V214 PolarHBondContact N-O 3.23Å; E201-V214 PolarHBondContact O-N 2.79Å; L203-V214 HydrophobicContact CD1-CB 4.07Å; L203-V214 HydrophobicContact CD1-CG2 3.4Å |
| 215 | V | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.3 | 171.1 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | R153 V154 V194 N197 P200 I229 | R153-V215 CarbonylContact C-O 3.58Å; R153-V215 WeakPolarHBondContact CA-O 3.2Å; V154-V215 HydrophobicContact CB-CG2 4.17Å; V154-V215 PolarHBondContact N-O 3.34Å; V154-V215 PolarHBondContact O-N 3.13Å; V194-V215 HydrophobicContact CB-CG1 4.23Å; V194-V215 HydrophobicContact CG1-CG1 3.99Å; V194-V215 HydrophobicContact CG2-CG1 4.06Å; N197-V215 HydrophobicContact CB-CG1 4.17Å; P200-V215 HydrophobicContact CB-CG1 4.17Å; V215-I229 HydrophobicContact CG2-CD1 3.64Å |
| 216 | P | 96 | Very high | 94.1 | Very high | 56 Ų | 56 | 69.7 Ų | 69.7 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 140.1 | 168 | -23.5 | 34.6 | 0 | 0 | 0 | 110.8 | E218 | P216-E218 PolarHBondContact O-N 2.92Å |
| 217 | Y | 95.2 | Very high | 94.3 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | trans | -72.7 | 126.2 | 170.4 | 170.9 | -94.9 | 0 | 0 | 0 | 109.3 | V144 P148 S152 V154 P219 L254 | V144-Y217 VanDerWaalsContact CG2-OH 3.24Å; V144-Y217 WeakPolarHBondContact CG2-OH 3.43Å; P148-Y217 HydrophobicContact CB-CD1 4.48Å; P148-Y217 HydrophobicContact CG-CD1 4.22Å; P148-Y217 HydrophobicContact CG-CE1 3.93Å; P148-Y217 HydrophobicContact CG-CE2 4.38Å; S152-Y217 WeakPolarHBondContact O-CB 3.48Å; S152-Y217 PolarHBondContact O-N 3.3Å; V154-Y217 HydrophobicContact CG2-CD2 4.1Å; Y217-P219 HydrophobicContact CE1-CG 4.25Å; Y217-L254 HydrophobicContact CD2-CD1 4.07Å; Y217-L254 HydrophobicContact CG-CD1 4.34Å | ||
| 218 | E | 93.7 | Very high | 94.7 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | trans | -109.7 | 130.6 | 173.8 | -67.9 | 179.2 | 176.6 | 0 | 0 | 109 | P216 T227 | P216-E218 PolarHBondContact O-N 2.92Å; E218-T227 HydrophobicContact CB-CG2 4.43Å; E218-T227 WeakPolarHBondContact O-CB 3.44Å; E218-T227 VanDerWaalsContact O-CG2 3.24Å; E218-T227 WeakPolarHBondContact O-CG2 3.37Å; E218-T227 PolarHBondContact O-OG1 3.18Å | ||
| 219 | P | 93.7 | Very high | 95 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 154.4 | 173.4 | -22.9 | 33.7 | 0 | 0 | 0 | 112.1 | Y217 | Y217-P219 HydrophobicContact CE1-CG 4.25Š|
| 220 | P | 94.6 | Very high | 95.1 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 25% | 0.253 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 143 | 174.1 | -26.2 | 34.8 | 0 | 0 | 0 | 112.1 | S224 T227 | P220-S224 WeakPolarHBondContact CB-O 3.3Å; P220-T227 WeakPolarHBondContact CD-OG1 3.23Å |
| 221 | E | 93.3 | Very high | 95.2 | Very high | 166 Ų | 166 | 53.9 Ų | 53.9 | 78% | 0.776 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 153.2 | 172.4 | -65.5 | -179.6 | -177.1 | 0 | 0 | 110.9 | G223 S224 | E221-G223 PolarHBondContact O-N 2.89Å; E221-G223 VanDerWaalsContact O-N 3.09Å; E221-S224 WeakPolarHBondContact O-CB 3.34Å; E221-S224 PolarHBondContact O-N 3.06Å |
| 222 | A | 93.1 | Very high | 95.2 | Very high | 114 Ų | 114 | 55 Ų | 55 | 94% | 0.942 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 118.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 223 | G | 93.1 | Very high | 95.2 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 93% | 0.928 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -4.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | E221 | E221-G223 PolarHBondContact O-N 2.89Å; E221-G223 VanDerWaalsContact O-N 3.09Å |
| 224 | S | 93.5 | Very high | 95.2 | Very high | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | trans | -99.7 | 148.1 | 168 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | P220 E221 Y226 | P220-S224 WeakPolarHBondContact CB-O 3.3Å; E221-S224 WeakPolarHBondContact O-CB 3.34Å; E221-S224 PolarHBondContact O-N 3.06Å; S224-Y226 PolarHBondContact OG-N 3.4Å; S224-Y226 PolarHBondContact OG-O 3.32Å | ||
| 225 | E | 93.9 | Very high | 95.2 | Very high | 146 Ų | 146 | 55 Ų | 55 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -96.6 | -6.7 | 174.3 | -62.3 | -176.8 | 167.5 | 0 | 0 | 112.5 | W143 | W143-E225 HydrophobicContact CE3-CB 4.34Å; W143-E225 HydrophobicContact CH2-CB 4.21Å; W143-E225 HydrophobicContact CZ3-CB 3.63Å |
| 226 | Y | 95.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 28% | 0.282 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 157.3 | -174.1 | 58.1 | -94.2 | 0 | 0 | 0 | 112.4 | Q141 L142 W143 S224 | Q141-Y226 HydrophobicContact CB-CD2 3.85Å; Q141-Y226 HydrophobicContact CB-CE2 4.47Å; Q141-Y226 HydrophobicContact CB-CG 4.2Å; Q141-Y226 HydrophobicContact CG-CD2 3.63Å; Q141-Y226 HydrophobicContact CG-CE2 3.76Å; Q141-Y226 HydrophobicContact CG-CG 4.34Å; Q141-Y226 VanDerWaalsContact NE2-CZ 3.28Å; Q141-Y226 PolarHBondContact NE2-OH 3.15Å; L142-Y226 WeakPolarHBondContact O-CA 3.33Å; L142-Y226 WeakPolarHBondContact O-CB 3.42Å; W143-Y226 AromaticContact CE2-CD1 3.84Å; W143-Y226 AromaticContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CE1 4.22Å; W143-Y226 HydrophobicContact CH2-CG 4.47Å; W143-Y226 AromaticContact CZ2-CD1 3.31Å; W143-Y226 HydrophobicContact CZ2-CD1 3.31Å; W143-Y226 AromaticContact CZ2-CE1 3.98Å; W143-Y226 HydrophobicContact CZ2-CE1 3.98Å; W143-Y226 AromaticContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ3-CD1 4.24Å; S224-Y226 PolarHBondContact OG-N 3.4Å; S224-Y226 PolarHBondContact OG-O 3.32Å |
| 227 | T | 95.5 | Very high | 95.3 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 10% | 0.104 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.4 | 172.6 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | Q141 L142 E218 P220 | Q141-T227 CarbonylContact C-O 3.53Å; Q141-T227 WeakPolarHBondContact CA-O 3.38Å; L142-T227 PolarHBondContact N-O 3.08Å; L142-T227 PolarHBondContact O-N 3.36Å; L142-T227 VanDerWaalsContact O-N 3.09Å; E218-T227 HydrophobicContact CB-CG2 4.43Å; E218-T227 WeakPolarHBondContact O-CB 3.44Å; E218-T227 VanDerWaalsContact O-CG2 3.24Å; E218-T227 WeakPolarHBondContact O-CG2 3.37Å; E218-T227 PolarHBondContact O-OG1 3.18Å; P220-T227 WeakPolarHBondContact CD-OG1 3.23Å |
| 228 | T | 95.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.2 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | P139 V140 | P139-T228 HydrophobicContact CB-CG2 3.74Å; V140-T228 WeakPolarHBondContact O-CA 3.34Å |
| 229 | I | 96.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.7 | 168.9 | -59.2 | 179.1 | 0 | 0 | 0 | 109.2 | V140 L142 V154 V194 V215 Y231 | V140-I229 PolarHBondContact N-O 2.81Å; V140-I229 PolarHBondContact O-N 3.29Å; L142-I229 HydrophobicContact CD1-CD1 3.56Å; L142-I229 HydrophobicContact CD1-CG1 4.03Å; L142-I229 HydrophobicContact CG-CD1 4.31Å; L142-I229 HydrophobicContact CG-CG1 4.46Å; V154-I229 HydrophobicContact CB-CD1 3.89Å; V154-I229 HydrophobicContact CG1-CD1 3.71Å; V154-I229 HydrophobicContact CG2-CD1 4.25Å; V194-I229 HydrophobicContact CG1-CG2 3.93Å; V194-I229 HydrophobicContact CG2-CG2 4.37Å; V215-I229 HydrophobicContact CG2-CD1 3.64Å; I229-Y231 HydrophobicContact CB-CE2 3.9Å; I229-Y231 HydrophobicContact CG2-CD1 4.29Å; I229-Y231 HydrophobicContact CG2-CD2 4.15Å; I229-Y231 HydrophobicContact CG2-CE1 3.79Å; I229-Y231 HydrophobicContact CG2-CE2 3.65Å; I229-Y231 HydrophobicContact CG2-CG 4.47Å; I229-Y231 VanDerWaalsContact CG2-CZ 3.44Å |
| 230 | H | 96.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 55.7 Ų | 55.7 | 34% | 0.338 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 107.9 | 179.2 | -63.2 | 110.1 | 0 | 0 | 0 | 110.6 | T137 V194 E195 | T137-H230 HydrophobicContact CG2-CB 3.77Å; V194-H230 WeakPolarHBondContact CA-O 3.33Å; E195-H230 HydrophobicContact CB-CB 4.18Å; E195-H230 PolarHBondContact N-O 3.34Å |
| 231 | Y | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 152.7 | 176.3 | -64.3 | -74.1 | 0 | 0 | 0 | 112 | C138 V140 A156 I192 R193 V194 V213 I229 I252 | C138-Y231 WeakPolarHBondContact CB-O 3.28Å; C138-Y231 PolarHBondContact N-O 2.89Å; C138-Y231 PolarHBondContact O-N 3.35Å; V140-Y231 HydrophobicContact CB-CD2 4Å; V140-Y231 HydrophobicContact CB-CE2 3.92Å; V140-Y231 HydrophobicContact CG1-CE2 4.48Å; V140-Y231 HydrophobicContact CG2-CD2 3.63Å; V140-Y231 HydrophobicContact CG2-CE2 3.99Å; A156-Y231 HydrophobicContact CB-CD1 4.3Å; A156-Y231 HydrophobicContact CB-CE1 3.51Å; I192-Y231 HydrophobicContact CG2-CD1 3.65Å; I192-Y231 HydrophobicContact CG2-CE1 4.31Å; I192-Y231 HydrophobicContact CG2-CG 4.39Å; R193-Y231 CarbonylContact O-C 3.51Å; R193-Y231 VanDerWaalsContact O-CA 3.29Å; R193-Y231 WeakPolarHBondContact O-CA 3.38Å; V194-Y231 HydrophobicContact CG2-CD1 3.81Å; V194-Y231 HydrophobicContact CG2-CE1 3.68Å; V213-Y231 HydrophobicContact CG1-CE1 4.47Å; I229-Y231 HydrophobicContact CB-CE2 3.9Å; I229-Y231 HydrophobicContact CG2-CD1 4.29Å; I229-Y231 HydrophobicContact CG2-CD2 4.15Å; I229-Y231 HydrophobicContact CG2-CE1 3.79Å; I229-Y231 HydrophobicContact CG2-CE2 3.65Å; I229-Y231 HydrophobicContact CG2-CG 4.47Å; I229-Y231 VanDerWaalsContact CG2-CZ 3.44Å; Y231-I252 HydrophobicContact CE2-CD1 4.14Å |
| 232 | K | 96.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 49 Ų | 49 | 17% | 0.17 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.1 | 167.3 | -71.1 | -177.6 | 178.7 | 166.7 | 0 | 109.9 | I192 R193 E195 M234 | I192-K232 WeakPolarHBondContact CA-O 3.33Å; R193-K232 HydrophobicContact CB-CB 4.37Å; R193-K232 PolarHBondContact N-O 3.33Å; R193-K232 PolarHBondContact O-N 3.42Å; E195-K232 HydrophobicContact CB-CD 4.45Å; E195-K232 WeakPolarHBondContact OE1-CE 3.43Å; E195-K232 IonicContact OE1-NZ 3.21Å; E195-K232 PolarHBondContact OE1-NZ 3.5Å; E195-K232 WeakPolarHBondContact OE2-CE 3.44Å; E195-K232 IonicContact OE2-NZ 3.95Å; K232-M234 HydrophobicContact CB-SD 3.76Å |
| 233 | Y | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.2 | 175.1 | -64.1 | -94.6 | 0 | 0 | 0 | 110.1 | L130 A135 C138 L191 I192 C235 T250 V269 V271 | L130-Y233 HydrophobicContact CD2-CE2 4.36Å; A135-Y233 PolarHBondContact N-O 3.1Å; C138-Y233 HydrophobicContact CB-CE2 4.36Å; L191-Y233 HydrophobicContact CD2-CD1 4.5Å; L191-Y233 HydrophobicContact CG-CD1 4.35Å; L191-Y233 WeakPolarHBondContact O-CA 3.4Å; I192-Y233 HydrophobicContact CD1-CE1 4.11Å; I192-Y233 HydrophobicContact CG1-CD1 4.06Å; I192-Y233 HydrophobicContact CG1-CE1 3.73Å; Y233-C235 PolarHBondContact O-N 3.28Å; Y233-T250 PolarHBondContact OH-OG1 3.46Å; Y233-V269 HydrophobicContact CD1-CG1 4.06Å; Y233-V269 HydrophobicContact CD2-CG1 4.16Å; Y233-V269 HydrophobicContact CE1-CB 4.23Å; Y233-V269 HydrophobicContact CE1-CG1 3.84Å; Y233-V269 HydrophobicContact CE1-CG2 4.09Å; Y233-V269 HydrophobicContact CE2-CG1 3.97Å; Y233-V269 HydrophobicContact CE2-CG2 4.47Å; Y233-V269 HydrophobicContact CG-CG1 4.22Å; Y233-V271 VanDerWaalsContact CB-CG2 3.46Å; Y233-V271 HydrophobicContact CD1-CG2 4.37Å; Y233-V271 HydrophobicContact CG-CG2 3.97Å |
| 234 | M | 96.1 | Very high | 96 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | trans | -95.6 | 14.9 | -164.2 | -51.7 | -50.9 | -65.9 | 0 | 0 | 114.1 | A135 R172 D181 L191 R193 K232 | A135-M234 HydrophobicContact CB-CE 3.74Å; A135-M234 HydrophobicContact CB-SD 3.98Å; R172-M234 PolarHBondContact NE-O 3.13Å; R172-M234 PolarHBondContact NH2-O 3.17Å; R172-M234 VanDerWaalsContact NH2-O 3.1Å; D181-M234 HydrophobicContact CB-CE 4.35Å; L191-M234 WeakPolarHBondContact O-CG 3.27Å; L191-M234 PolarHBondContact O-N 3.1Å; R193-M234 HydrophobicContact CB-CG 4.41Å; R193-M234 HydrophobicContact CB-SD 4.5Å; R193-M234 HydrophobicContact CG-CG 3.74Å; R193-M234 HydrophobicContact CG-SD 4.3Å; K232-M234 HydrophobicContact CB-SD 3.76Å | ||
| 235 | C | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -151.7 | 140.3 | 176.2 | -160.6 | 0 | 0 | 0 | 0 | 110.3 | L134 R172 H176 L191 Y233 C239 M243 V271 | L134-C235 VanDerWaalsContact CD1-CA 3.44Å; L134-C235 VanDerWaalsContact CD1-N 3.26Å; R172-C235 HydrophobicContact CB-CB 4.34Å; R172-C235 HydrophobicContact CG-CB 4.16Å; H176-C235 PolarHBondContact ND1-SG 3.12Å; H176-C235 VanDerWaalsContact ND1-SG 3.45Å; L191-C235 HydrophobicContact CD1-CB 3.55Å; Y233-C235 PolarHBondContact O-N 3.28Å; C235-C239 WeakPolarHBondContact SG-CB 3.31Å; C235-C239 PolarHBondContact SG-SG 3.14Å; C235-M243 HydrophobicContact CB-CE 4.15Å; C235-M243 WeakPolarHBondContact O-CE 3.24Å; C235-V271 WeakPolarHBondContact O-CB 3.46Å; C235-V271 WeakPolarHBondContact O-CG1 3.4Å |
| 236 | N | 97.6 | Very high | 96.2 | Very high | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | trans | -68.2 | 145.7 | 173.6 | -69.7 | -53 | 0 | 0 | 0 | 110.1 | S238 C239 M243 | N236-S238 PolarHBondContact O-N 3.49Å; N236-S238 VanDerWaalsContact O-N 3.11Å; N236-C239 WeakPolarHBondContact O-CB 3.38Å; N236-C239 PolarHBondContact O-N 2.88Å; N236-M243 WeakPolarHBondContact O-CE 3.48Å | ||
| 237 | S | 97.7 | Very high | 96.3 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.1 | 175.8 | -62.7 | 0 | 0 | 0 | 0 | 112 | R245 V271 | S237-R245 VanDerWaalsContact O-CA 3.24Å; S237-R245 WeakPolarHBondContact O-CA 3.34Å; S237-R245 PolarHBondContact O-N 3.35Å; S237-V271 PolarHBondContact N-O 2.86Å; S237-V271 PolarHBondContact OG-N 2.9Å |
| 238 | S | 97.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -6.1 | 178 | 56.8 | 0 | 0 | 0 | 0 | 115.4 | N236 M240 | N236-S238 PolarHBondContact O-N 3.49Å; N236-S238 VanDerWaalsContact O-N 3.11Å; S238-M240 PolarHBondContact O-N 3.39Å |
| 239 | C | 96.9 | Very high | 96.6 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | trans | -61.8 | 124 | -174.7 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | C173 H176 C235 N236 G242 N244 | C173-C239 HydrophobicContact CB-CB 4Å; H176-C239 PolarHBondContact CE1-SG 3.22Å; C235-C239 WeakPolarHBondContact SG-CB 3.31Å; C235-C239 PolarHBondContact SG-SG 3.14Å; N236-C239 WeakPolarHBondContact O-CB 3.38Å; N236-C239 PolarHBondContact O-N 2.88Å; C239-G242 PolarHBondContact O-N 2.78Å; C239-N244 WeakPolarHBondContact O-CA 3.42Å; C239-N244 PolarHBondContact O-N 3.46Å | ||
| 240 | M | 95.9 | Very high | 96.6 | Very high | 161 Ų | 161 | 41.1 Ų | 41.1 | 79% | 0.793 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 141 | 173.4 | -64.8 | 176.4 | 66.7 | 0 | 0 | 110.4 | C173 S238 G242 | C173-M240 WeakPolarHBondContact CB-O 3.28Å; S238-M240 PolarHBondContact O-N 3.39Å; M240-G242 PolarHBondContact O-N 2.86Å |
| 241 | G | 92.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 62% | 0.619 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | -4.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 242 | G | 93.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -117.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y160 C239 M240 N244 R246 | Y160-G242 PolarHBondContact OH-O 3.4Å; C239-G242 PolarHBondContact O-N 2.78Å; M240-G242 PolarHBondContact O-N 2.86Å; G242-N244 VanDerWaalsContact C-N 3.31Å; G242-N244 PolarHBondContact O-N 2.83Å; G242-R246 PolarHBondContact O-NH2 2.84Å |
| 243 | M | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.3 | 177.4 | -72.9 | -174.9 | -83.7 | 0 | 0 | 113.9 | Y160 V170 L191 C235 N236 R245 R246 I248 | Y160-M243 HydrophobicContact CE1-CB 4.33Å; Y160-M243 HydrophobicContact CE1-CG 4.19Å; V170-M243 HydrophobicContact CG1-CG 4.28Å; L191-M243 HydrophobicContact CD1-CE 3.9Å; L191-M243 HydrophobicContact CD2-CE 4.06Å; L191-M243 HydrophobicContact CD2-SD 3.99Å; C235-M243 HydrophobicContact CB-CE 4.15Å; C235-M243 WeakPolarHBondContact O-CE 3.24Å; N236-M243 WeakPolarHBondContact O-CE 3.48Å; M243-R245 PolarHBondContact O-N 3.46Å; M243-R246 WeakPolarHBondContact O-CB 3.42Å; M243-R246 WeakPolarHBondContact O-CG 3.39Å; M243-R246 PolarHBondContact O-N 2.79Å; M243-R246 PolarHBondContact O-NE 2.96Å; M243-I248 HydrophobicContact CG-CG2 4.09Å; M243-I248 HydrophobicContact SD-CD1 3.7Å; M243-I248 HydrophobicContact SD-CG1 4.02Å; M243-I248 HydrophobicContact SD-CG2 3.71Å |
| 244 | N | 96.9 | Very high | 96.9 | Very high | 84 Ų | 84 | 36.7 Ų | 36.7 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 52.7 | 174.4 | -166.8 | 29.6 | 0 | 0 | 0 | 114.6 | C239 G242 R246 | C239-N244 WeakPolarHBondContact O-CA 3.42Å; C239-N244 PolarHBondContact O-N 3.46Å; G242-N244 VanDerWaalsContact C-N 3.31Å; G242-N244 PolarHBondContact O-N 2.83Å; N244-R246 PolarHBondContact O-N 3.1Å; N244-R246 VanDerWaalsContact O-N 3.1Å |
| 245 | R | 96.1 | Very high | 97 | Very high | 205 Ų | 205 | 36.8 Ų | 36.8 | 77% | 0.774 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 12.3 | -179 | -52.8 | 178.7 | -177.2 | -173.1 | 0.7 | 114.9 | S237 M243 | S237-R245 VanDerWaalsContact O-CA 3.24Å; S237-R245 WeakPolarHBondContact O-CA 3.34Å; S237-R245 PolarHBondContact O-N 3.35Å; M243-R245 PolarHBondContact O-N 3.46Å |
| 246 | R | 97 | Very high | 97 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | trans | -82.3 | 124.6 | 173.4 | -60 | 173.5 | -72.3 | 179.4 | -1.3 | 109.2 | Y160 H165 E168 G242 M243 N244 | Y160-R246 HydrophobicContact CD1-CB 3.62Å; Y160-R246 HydrophobicContact CE1-CB 3.76Å; Y160-R246 PolarHBondContact OH-NH2 2.72Å; Y160-R246 VanDerWaalsContact OH-NH2 3.08Å; H165-R246 WeakPolarHBondContact CD2-CD 3.42Å; H165-R246 WeakPolarHBondContact NE2-CD 3.12Å; E168-R246 VanDerWaalsContact CD-NH1 3.25Å; E168-R246 IonicContact OE1-NH1 3.34Å; E168-R246 PolarHBondContact OE1-NH1 3.17Å; E168-R246 IonicContact OE2-CZ 2.76Å; E168-R246 IonicContact OE2-NH1 3.8Å; E168-R246 PolarHBondContact OE2-NH1 3.26Å; E168-R246 IonicContact OE2-NH2 3.9Å; G242-R246 PolarHBondContact O-NH2 2.84Å; M243-R246 WeakPolarHBondContact O-CB 3.42Å; M243-R246 WeakPolarHBondContact O-CG 3.39Å; M243-R246 PolarHBondContact O-N 2.79Å; M243-R246 PolarHBondContact O-NE 2.96Å; N244-R246 PolarHBondContact O-N 3.1Å; N244-R246 VanDerWaalsContact O-N 3.1Å | ||
| 247 | P | 97.5 | Very high | 96.9 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 24% | 0.24 | 23% | 0.226 | C | C | . | . | trans | -63.4 | 143.3 | 177.7 | -19.5 | 30.5 | 0 | 0 | 0 | 111.7 | K161 | K161-P247 HydrophobicContact CB-CB 4.24Å; K161-P247 PolarHBondContact N-O 3.04Å | ||
| 248 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150.5 | 178.7 | 59.8 | 161.6 | 0 | 0 | 0 | 111.4 | I159 Y160 V170 L191 M243 E268 V269 | I159-I248 CarbonylContact O-C 3.43Å; I159-I248 WeakPolarHBondContact O-CA 3.39Å; I159-I248 WeakPolarHBondContact O-CB 3.29Å; Y160-I248 HydrophobicContact CD1-CG2 3.7Å; Y160-I248 HydrophobicContact CE1-CG2 3.87Å; V170-I248 HydrophobicContact CG1-CG2 4.2Å; V170-I248 HydrophobicContact CG2-CG2 4.15Å; L191-I248 HydrophobicContact CD2-CD1 3.78Å; M243-I248 HydrophobicContact CG-CG2 4.09Å; M243-I248 HydrophobicContact SD-CD1 3.7Å; M243-I248 HydrophobicContact SD-CG1 4.02Å; M243-I248 HydrophobicContact SD-CG2 3.71Å; I248-E268 WeakPolarHBondContact O-CG 3.33Å; I248-V269 HydrophobicContact CD1-CB 4.16Å; I248-V269 HydrophobicContact CG1-CB 4.19Å; I248-V269 WeakPolarHBondContact CG1-O 3.41Å; I248-V269 PolarHBondContact O-N 3.24Å |
| 249 | L | 97.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.4 | 169.1 | -169.5 | 78.8 | 0 | 0 | 0 | 108.4 | Q97 A158 I159 I251 F267 | Q97-L249 HydrophobicContact CB-CD2 3.54Å; Q97-L249 HydrophobicContact CG-CD2 4.42Å; A158-L249 WeakPolarHBondContact CA-O 3.35Å; I159-L249 HydrophobicContact CD1-CD2 4.34Å; I159-L249 HydrophobicContact CG1-CB 3.97Å; I159-L249 PolarHBondContact N-O 3.33Å; I159-L249 PolarHBondContact O-N 2.77Å; L249-I251 HydrophobicContact CD2-CG1 4.19Å; L249-F267 VanDerWaalsContact CD1-C 3.45Å; L249-F267 WeakPolarHBondContact CD1-O 3.19Å |
| 250 | T | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.3 | 168.8 | -62.4 | 0 | 0 | 0 | 0 | 108.2 | I192 Y233 I252 S266 F267 V269 | I192-T250 HydrophobicContact CD1-CG2 3.92Å; Y233-T250 PolarHBondContact OH-OG1 3.46Å; T250-I252 HydrophobicContact CG2-CD1 3.73Å; T250-I252 HydrophobicContact CG2-CG1 4.49Å; T250-S266 VanDerWaalsContact O-CA 3.23Å; T250-S266 WeakPolarHBondContact O-CA 3.13Å; T250-S266 WeakPolarHBondContact O-CB 3.33Å; T250-F267 HydrophobicContact CG2-CE1 4.04Å; T250-F267 HydrophobicContact CG2-CZ 3.89Å; T250-F267 PolarHBondContact N-O 2.87Å; T250-F267 PolarHBondContact O-N 3.35Å; T250-F267 VanDerWaalsContact O-N 3.08Å; T250-V269 VanDerWaalsContact OG1-CG2 3.29Å; T250-V269 WeakPolarHBondContact OG1-CG2 3.32Å |
| 251 | I | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.5 | 174.9 | -58.2 | 173.1 | 0 | 0 | 0 | 107.6 | P95 Q97 A156 M157 I159 L249 T253 R264 | P95-I251 HydrophobicContact CB-CD1 4.29Å; P95-I251 HydrophobicContact CG-CD1 4.03Å; Q97-I251 HydrophobicContact CB-CD1 4.36Å; A156-I251 WeakPolarHBondContact CA-O 3.41Å; M157-I251 PolarHBondContact N-O 2.88Å; M157-I251 PolarHBondContact O-N 2.94Å; I159-I251 HydrophobicContact CD1-CD1 3.73Å; I159-I251 HydrophobicContact CG1-CD1 4.03Å; I159-I251 HydrophobicContact CG1-CG1 4.49Å; I159-I251 HydrophobicContact CG2-CD1 4.36Å; L249-I251 HydrophobicContact CD2-CG1 4.19Å; I251-T253 HydrophobicContact CG2-CG2 4.11Å; I251-R264 HydrophobicContact CG2-CG 3.81Å |
| 252 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.6 | 171.8 | -49.9 | -60.1 | 0 | 0 | 0 | 108.3 | F106 L108 L142 V154 R155 A156 Y231 T250 R264 D265 F267 | F106-I252 HydrophobicContact CE1-CG2 4.41Å; F106-I252 HydrophobicContact CZ-CB 4.49Å; F106-I252 HydrophobicContact CZ-CG2 3.82Å; L108-I252 HydrophobicContact CD1-CB 4.09Å; L108-I252 HydrophobicContact CD1-CG1 3.76Å; L108-I252 HydrophobicContact CD2-CB 4.14Å; L108-I252 HydrophobicContact CD2-CG1 4.22Å; L108-I252 HydrophobicContact CD2-CG2 4.19Å; L142-I252 HydrophobicContact CD2-CG2 4.34Å; V154-I252 HydrophobicContact CG1-CG2 3.58Å; R155-I252 CarbonylContact O-C 3.54Å; R155-I252 VanDerWaalsContact O-CA 3.3Å; R155-I252 WeakPolarHBondContact O-CA 3.35Å; A156-I252 HydrophobicContact CB-CD1 3.58Å; Y231-I252 HydrophobicContact CE2-CD1 4.14Å; T250-I252 HydrophobicContact CG2-CD1 3.73Å; T250-I252 HydrophobicContact CG2-CG1 4.49Å; I252-R264 WeakPolarHBondContact O-CA 3.38Å; I252-D265 PolarHBondContact N-O 2.9Å; I252-D265 PolarHBondContact O-N 3.19Å; I252-D265 VanDerWaalsContact O-O 3.11Å; I252-F267 HydrophobicContact CD1-CE1 4.21Å; I252-F267 HydrophobicContact CG1-CE1 3.85Å |
| 253 | T | 98.2 | Very high | 96.9 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.9 | 175.5 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | V154 R155 I251 E255 L261 G263 R264 | V154-T253 WeakPolarHBondContact CA-O 3.23Å; R155-T253 WeakPolarHBondContact CB-OG1 3.44Å; R155-T253 PolarHBondContact N-O 2.89Å; R155-T253 PolarHBondContact O-N 3.47Å; I251-T253 HydrophobicContact CG2-CG2 4.11Å; T253-E255 PolarHBondContact OG1-OE1 2.92Å; T253-L261 HydrophobicContact CG2-CD1 3.61Å; T253-G263 CarbonylContact C-O 3.59Å; T253-G263 WeakPolarHBondContact CA-O 3.42Å; T253-R264 HydrophobicContact CG2-CB 4.07Å; T253-R264 HydrophobicContact CG2-CG 3.77Å |
| 254 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.2 | 163.6 | -178.3 | 68.7 | 0 | 0 | 0 | 107.2 | F106 V144 P148 V154 Y217 L262 G263 | F106-L254 HydrophobicContact CB-CD2 4.33Å; F106-L254 HydrophobicContact CD1-CB 4.3Å; F106-L254 HydrophobicContact CD2-CB 3.93Å; F106-L254 HydrophobicContact CD2-CD2 4.04Å; F106-L254 HydrophobicContact CD2-CG 4.49Å; F106-L254 HydrophobicContact CE1-CB 4.43Å; F106-L254 HydrophobicContact CE2-CB 4.07Å; F106-L254 HydrophobicContact CG-CB 4.04Å; F106-L254 HydrophobicContact CG-CD2 4.32Å; F106-L254 HydrophobicContact CZ-CB 4.33Å; V144-L254 HydrophobicContact CG1-CD2 4.5Å; P148-L254 HydrophobicContact CB-CD2 4.34Å; P148-L254 HydrophobicContact CG-CD1 4.4Å; P148-L254 HydrophobicContact CG-CD2 3.8Å; V154-L254 HydrophobicContact CG2-CD1 4.08Å; Y217-L254 HydrophobicContact CD2-CD1 4.07Å; Y217-L254 HydrophobicContact CG-CD1 4.34Å; L254-L262 HydrophobicContact CB-CB 4.48Å; L254-L262 HydrophobicContact CD2-CB 4.16Å; L254-L262 HydrophobicContact CG-CB 4.08Å; L254-L262 HydrophobicContact CG-CD1 4.47Å; L254-L262 WeakPolarHBondContact O-CA 3.4Å; L254-L262 WeakPolarHBondContact O-CB 3.48Å; L254-L262 PolarHBondContact O-N 3.37Å; L254-G263 PolarHBondContact N-O 3.31Å; L254-G263 PolarHBondContact O-N 3.01Å; L254-G263 VanDerWaalsContact O-N 3.09Å |
| 255 | E | 97.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 154.1 | -174 | -66.7 | 167.9 | -160.1 | 0 | 0 | 110.2 | S152 R153 R155 T253 N260 | S152-E255 CarbonylContact C-O 3.52Å; S152-E255 VanDerWaalsContact CA-O 3.22Å; S152-E255 WeakPolarHBondContact CA-O 3.13Å; R153-E255 PolarHBondContact N-O 2.88Å; R153-E255 PolarHBondContact O-N 3.27Å; R155-E255 WeakPolarHBondContact CB-OE1 3.15Å; R155-E255 VanDerWaalsContact CD-OE1 3.31Å; R155-E255 WeakPolarHBondContact CD-OE1 3.23Å; R155-E255 IonicContact CZ-OE1 3.42Å; R155-E255 IonicContact CZ-OE2 3.69Å; R155-E255 VanDerWaalsContact NE-CD 3.33Å; R155-E255 IonicContact NE-OE1 2.63Å; R155-E255 PolarHBondContact NE-OE1 2.88Å; R155-E255 IonicContact NE-OE2 3.26Å; R155-E255 PolarHBondContact NE-OE2 2.78Å; R155-E255 IonicContact NH2-OE2 3.55Å; R155-E255 PolarHBondContact NH2-OE2 2.83Å; T253-E255 PolarHBondContact OG1-OE1 2.92Å; E255-N260 CarbonylContact C-O 3.51Å; E255-N260 WeakPolarHBondContact CA-O 3.38Å |
| 256 | D | 96.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 30.4 Ų | 30.4 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | trans | -78.6 | -178.9 | 167.8 | 74.4 | 4.4 | 0 | 0 | 0 | 111.5 | S258 G259 N260 L262 | D256-S258 PolarHBondContact O-N 2.64Å; D256-S258 VanDerWaalsContact O-N 3.14Å; D256-S258 VanDerWaalsContact OD1-C 3.3Å; D256-S258 VanDerWaalsContact OD1-CA 3.28Å; D256-S258 WeakPolarHBondContact OD1-CA 3.48Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.36Å; D256-G259 PolarHBondContact O-N 3.23Å; D256-G259 VanDerWaalsContact O-N 3.11Å; D256-G259 PolarHBondContact OD1-N 3.31Å; D256-N260 PolarHBondContact N-O 3.08Å; D256-N260 WeakPolarHBondContact OD1-CB 3.43Å; D256-N260 PolarHBondContact OD1-N 2.87Å; D256-N260 PolarHBondContact OD1-ND2 2.97Å; D256-N260 WeakPolarHBondContact OD2-CB 3.27Å; D256-N260 PolarHBondContact OD2-ND2 3.33Å; D256-L262 HydrophobicContact CB-CD1 4.06Å; D256-L262 HydrophobicContact CB-CD2 4.33Å; D256-L262 HydrophobicContact CB-CG 4.26Å | ||
| 257 | S | 95.3 | Very high | 97.2 | Very high | 84 Ų | 84 | 28.6 Ų | 28.6 | 59% | 0.587 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.1 | 177.6 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | G151 | G151-S257 WeakPolarHBondContact O-CA 3.38Å; G151-S257 PolarHBondContact O-N 3.37Å |
| 258 | S | 95 | Very high | 97.2 | Very high | 93 Ų | 93 | 27.6 Ų | 27.6 | 65% | 0.65 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -2.7 | -179.2 | -52.9 | 0 | 0 | 0 | 0 | 112.7 | D256 | D256-S258 PolarHBondContact O-N 2.64Å; D256-S258 VanDerWaalsContact O-N 3.14Å; D256-S258 VanDerWaalsContact OD1-C 3.3Å; D256-S258 VanDerWaalsContact OD1-CA 3.28Å; D256-S258 WeakPolarHBondContact OD1-CA 3.48Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.36Å |
| 259 | G | 93 | Very high | 97.2 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | trans | 83.6 | 11.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D256 | D256-G259 PolarHBondContact O-N 3.23Å; D256-G259 VanDerWaalsContact O-N 3.11Å; D256-G259 PolarHBondContact OD1-N 3.31Å | ||
| 260 | N | 95.5 | Very high | 97.2 | Very high | 95 Ų | 95 | 31.1 Ų | 31.1 | 51% | 0.508 | 18% | 0.18 | S | C | . | . | trans | -75.1 | 142.7 | 174.7 | -57.3 | -57.9 | 0 | 0 | 0 | 110.6 | E255 D256 L262 | E255-N260 CarbonylContact C-O 3.51Å; E255-N260 WeakPolarHBondContact CA-O 3.38Å; D256-N260 PolarHBondContact N-O 3.08Å; D256-N260 WeakPolarHBondContact OD1-CB 3.43Å; D256-N260 PolarHBondContact OD1-N 2.87Å; D256-N260 PolarHBondContact OD1-ND2 2.97Å; D256-N260 WeakPolarHBondContact OD2-CB 3.27Å; D256-N260 PolarHBondContact OD2-ND2 3.33Å; N260-L262 PolarHBondContact O-N 3.17Å | ||
| 261 | L | 96.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 31.2 Ų | 31.2 | 36% | 0.361 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 119.9 | -176.9 | -172.2 | 71.1 | 0 | 0 | 0 | 112.1 | Y100 T253 G263 R264 | Y100-L261 HydrophobicContact CD1-CD2 3.96Å; Y100-L261 HydrophobicContact CD1-CG 4.32Å; Y100-L261 HydrophobicContact CE1-CD2 4.42Å; T253-L261 HydrophobicContact CG2-CD1 3.61Å; L261-G263 VanDerWaalsContact CD1-O 3.23Å; L261-G263 WeakPolarHBondContact CD1-O 3.24Å; L261-R264 HydrophobicContact CD1-CB 4.21Å; L261-R264 VanDerWaalsContact CD2-NH1 3.31Å |
| 262 | L | 97.5 | Very high | 97.2 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -27.2 | 171.3 | -58 | -179.4 | 0 | 0 | 0 | 112.3 | G102 Y104 S152 L254 D256 N260 | G102-L262 WeakPolarHBondContact CA-O 3.44Å; Y104-L262 HydrophobicContact CD2-CB 4.26Å; Y104-L262 HydrophobicContact CE2-CB 4.3Å; Y104-L262 HydrophobicContact CE2-CD1 4.23Å; Y104-L262 HydrophobicContact CE2-CD2 4.23Å; Y104-L262 HydrophobicContact CE2-CG 4.49Å; S152-L262 WeakPolarHBondContact OG-CD1 3.32Å; L254-L262 HydrophobicContact CB-CB 4.48Å; L254-L262 HydrophobicContact CD2-CB 4.16Å; L254-L262 HydrophobicContact CG-CB 4.08Å; L254-L262 HydrophobicContact CG-CD1 4.47Å; L254-L262 WeakPolarHBondContact O-CA 3.4Å; L254-L262 WeakPolarHBondContact O-CB 3.48Å; L254-L262 PolarHBondContact O-N 3.37Å; D256-L262 HydrophobicContact CB-CD1 4.06Å; D256-L262 HydrophobicContact CB-CD2 4.33Å; D256-L262 HydrophobicContact CB-CG 4.26Å; N260-L262 PolarHBondContact O-N 3.17Å |
| 263 | G | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 156.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y100 T253 L254 L261 | Y100-G263 CarbonylContact O-C 3.52Å; Y100-G263 WeakPolarHBondContact O-CA 3.18Å; T253-G263 CarbonylContact C-O 3.59Å; T253-G263 WeakPolarHBondContact CA-O 3.42Å; L254-G263 PolarHBondContact N-O 3.31Å; L254-G263 PolarHBondContact O-N 3.01Å; L254-G263 VanDerWaalsContact O-N 3.09Å; L261-G263 VanDerWaalsContact CD1-O 3.23Å; L261-G263 WeakPolarHBondContact CD1-O 3.24Å |
| 264 | R | 98.3 | Very high | 97 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 137.6 | 178.5 | -174.6 | 167.5 | 57.9 | -127.8 | -8.4 | 111.5 | S96 K98 T99 Y100 I251 I252 T253 L261 | S96-R264 WeakPolarHBondContact O-CD 3.33Å; S96-R264 PolarHBondContact O-NE 3.38Å; S96-R264 VanDerWaalsContact O-NE 3.15Å; S96-R264 PolarHBondContact OG-NH2 3.1Å; K98-R264 PolarHBondContact O-NE 3.41Å; K98-R264 PolarHBondContact O-NH2 2.76Å; T99-R264 WeakPolarHBondContact CA-O 3.41Å; Y100-R264 CarbonylContact C-O 3.59Å; Y100-R264 PolarHBondContact N-O 3.09Å; Y100-R264 PolarHBondContact O-N 3.25Å; I251-R264 HydrophobicContact CG2-CG 3.81Å; I252-R264 WeakPolarHBondContact O-CA 3.38Å; T253-R264 HydrophobicContact CG2-CB 4.07Å; T253-R264 HydrophobicContact CG2-CG 3.77Å; L261-R264 HydrophobicContact CD1-CB 4.21Å; L261-R264 VanDerWaalsContact CD2-NH1 3.31Å |
| 265 | D | 98 | Very high | 97 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 169.3 | 168.2 | -158.4 | 4.6 | 0 | 0 | 0 | 110.2 | T99 F106 L108 I252 | T99-D265 WeakPolarHBondContact CG2-OD1 3.48Å; T99-D265 PolarHBondContact OG1-OD1 3.48Å; F106-D265 HydrophobicContact CE1-CB 4.28Å; L108-D265 HydrophobicContact CD1-CB 3.89Å; L108-D265 HydrophobicContact CG-CB 3.81Å; L108-D265 PolarHBondContact N-OD2 2.74Å; I252-D265 PolarHBondContact N-O 2.9Å; I252-D265 PolarHBondContact O-N 3.19Å; I252-D265 VanDerWaalsContact O-O 3.11Å |
| 266 | S | 97.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 36 Ų | 36 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 155.6 | -175.5 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | N128 T250 | N128-S266 PolarHBondContact ND2-O 3.48Å; T250-S266 VanDerWaalsContact O-CA 3.23Å; T250-S266 WeakPolarHBondContact O-CA 3.13Å; T250-S266 WeakPolarHBondContact O-CB 3.33Å |
| 267 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.3 | 177.8 | 59.4 | -82.3 | 0 | 0 | 0 | 110.5 | L108 F110 N128 L130 V140 L249 T250 I252 V269 | L108-F267 HydrophobicContact CD1-CD1 3.62Å; L108-F267 HydrophobicContact CD1-CE1 3.94Å; F110-F267 HydrophobicContact CE1-CD1 4.2Å; F110-F267 HydrophobicContact CE1-CD2 4.05Å; F110-F267 HydrophobicContact CE1-CE1 4.28Å; F110-F267 HydrophobicContact CE1-CE2 4.13Å; F110-F267 HydrophobicContact CE1-CG 4.07Å; F110-F267 HydrophobicContact CE1-CZ 4.25Å; F110-F267 HydrophobicContact CE2-CB 4.47Å; F110-F267 HydrophobicContact CZ-CB 3.84Å; F110-F267 AromaticContact CZ-CD1 3.61Å; F110-F267 HydrophobicContact CZ-CD1 3.61Å; F110-F267 AromaticContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CE1 4.09Å; F110-F267 HydrophobicContact CZ-CE2 4.42Å; F110-F267 AromaticContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CZ 4.47Å; N128-F267 WeakPolarHBondContact OD1-CB 3.32Å; L130-F267 HydrophobicContact CB-CD2 3.92Å; L130-F267 HydrophobicContact CB-CE2 4.05Å; L130-F267 HydrophobicContact CD2-CE2 3.89Å; V140-F267 HydrophobicContact CG1-CE1 4.42Å; V140-F267 HydrophobicContact CG2-CE1 4.4Å; V140-F267 HydrophobicContact CG2-CZ 3.95Å; L249-F267 VanDerWaalsContact CD1-C 3.45Å; L249-F267 WeakPolarHBondContact CD1-O 3.19Å; T250-F267 HydrophobicContact CG2-CE1 4.04Å; T250-F267 HydrophobicContact CG2-CZ 3.89Å; T250-F267 PolarHBondContact N-O 2.87Å; T250-F267 PolarHBondContact O-N 3.35Å; T250-F267 VanDerWaalsContact O-N 3.08Å; I252-F267 HydrophobicContact CD1-CE1 4.21Å; I252-F267 HydrophobicContact CG1-CE1 3.85Å; F267-V269 HydrophobicContact CD2-CG2 3.6Å; F267-V269 HydrophobicContact CE2-CG2 3.37Å; F267-V269 HydrophobicContact CZ-CG2 4.4Å |
| 268 | E | 98.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 146.4 | 176.4 | -173.4 | 174.5 | 155.1 | 0 | 0 | 110.3 | N128 K129 L130 K161 I248 | N128-E268 PolarHBondContact O-N 2.68Å; K129-E268 CarbonylContact C-O 3.59Å; K129-E268 WeakPolarHBondContact CA-O 3.42Å; K129-E268 HydrophobicContact CB-CB 4.03Å; K129-E268 HydrophobicContact CD-CB 4.21Å; K129-E268 HydrophobicContact CD-CG 3.87Å; K129-E268 WeakPolarHBondContact CD-OE1 3.19Å; K129-E268 WeakPolarHBondContact CE-OE1 3.36Å; K129-E268 HydrophobicContact CG-CB 3.84Å; K129-E268 HydrophobicContact CG-CG 3.93Å; K129-E268 IonicContact NZ-OE1 2.65Å; K129-E268 PolarHBondContact NZ-OE1 3.32Å; L130-E268 PolarHBondContact N-O 2.86Å; K161-E268 HydrophobicContact CD-CG 4.46Å; K161-E268 VanDerWaalsContact CD-OE2 3.25Å; K161-E268 WeakPolarHBondContact CD-OE2 3.37Å; K161-E268 WeakPolarHBondContact CE-OE2 3.4Å; K161-E268 IonicContact NZ-OE2 2.78Å; K161-E268 PolarHBondContact NZ-OE2 3.02Å; I248-E268 WeakPolarHBondContact O-CG 3.33Å |
| 269 | V | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | L130 Y233 I248 T250 F267 V271 | L130-V269 HydrophobicContact CB-CG2 4.32Å; L130-V269 CarbonylContact O-C 3.03Å; L130-V269 WeakPolarHBondContact O-CA 3.35Å; Y233-V269 HydrophobicContact CD1-CG1 4.06Å; Y233-V269 HydrophobicContact CD2-CG1 4.16Å; Y233-V269 HydrophobicContact CE1-CB 4.23Å; Y233-V269 HydrophobicContact CE1-CG1 3.84Å; Y233-V269 HydrophobicContact CE1-CG2 4.09Å; Y233-V269 HydrophobicContact CE2-CG1 3.97Å; Y233-V269 HydrophobicContact CE2-CG2 4.47Å; Y233-V269 HydrophobicContact CG-CG1 4.22Å; I248-V269 HydrophobicContact CD1-CB 4.16Å; I248-V269 HydrophobicContact CG1-CB 4.19Å; I248-V269 WeakPolarHBondContact CG1-O 3.41Å; I248-V269 PolarHBondContact O-N 3.24Å; T250-V269 VanDerWaalsContact OG1-CG2 3.29Å; T250-V269 WeakPolarHBondContact OG1-CG2 3.32Å; F267-V269 HydrophobicContact CD2-CG2 3.6Å; F267-V269 HydrophobicContact CE2-CG2 3.37Å; F267-V269 HydrophobicContact CZ-CG2 4.4Å; V269-V271 HydrophobicContact CG1-CG2 4.19Å |
| 270 | R | 98.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 38.2 Ų | 38.2 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 112.3 | 170.2 | -179.3 | 179.4 | 176.7 | 98.2 | 2.5 | 110.4 | L130 F131 C132 C272 D278 E282 | L130-R270 PolarHBondContact O-N 2.59Å; F131-R270 WeakPolarHBondContact CA-O 3.33Å; F131-R270 HydrophobicContact CD1-CB 4.05Å; F131-R270 HydrophobicContact CD1-CG 4.31Å; F131-R270 HydrophobicContact CE1-CB 4.32Å; C132-R270 PolarHBondContact N-O 2.78Å; R270-C272 HydrophobicContact CG-CB 4.23Å; R270-D278 IonicContact CZ-OD2 3.74Å; R270-D278 VanDerWaalsContact CZ-OD2 3.31Å; R270-D278 IonicContact NE-OD2 2.67Å; R270-D278 PolarHBondContact NE-OD2 2.87Å; R270-D278 IonicContact NH2-OD2 3.23Å; R270-D278 PolarHBondContact NH2-OD2 3.42Å; R270-E282 WeakPolarHBondContact CD-OE1 3.23Å; R270-E282 IonicContact CZ-OE1 3.33Å; R270-E282 IonicContact NE-OE1 2.76Å; R270-E282 IonicContact NH1-OE1 2.99Å; R270-E282 PolarHBondContact NH1-OE1 3.04Å |
| 271 | V | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 110.8 | 174.4 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | C132 L134 Y233 C235 S237 V269 | C132-V271 CarbonylContact O-C 3.59Å; C132-V271 VanDerWaalsContact O-CA 3.28Å; C132-V271 WeakPolarHBondContact O-CA 3.24Å; L134-V271 HydrophobicContact CB-CG1 4.38Å; Y233-V271 VanDerWaalsContact CB-CG2 3.46Å; Y233-V271 HydrophobicContact CD1-CG2 4.37Å; Y233-V271 HydrophobicContact CG-CG2 3.97Å; C235-V271 WeakPolarHBondContact O-CB 3.46Å; C235-V271 WeakPolarHBondContact O-CG1 3.4Å; S237-V271 PolarHBondContact N-O 2.86Å; S237-V271 PolarHBondContact OG-N 2.9Å; V269-V271 HydrophobicContact CG1-CG2 4.19Å |
| 272 | C | 97.5 | Very high | 97 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | trans | -145.2 | 160.5 | -171.6 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | C132 Q133 R270 C274 D278 | C132-C272 PolarHBondContact O-N 2.83Å; C132-C272 VanDerWaalsContact O-O 3.11Å; Q133-C272 WeakPolarHBondContact CA-O 3.31Å; R270-C272 HydrophobicContact CG-CB 4.23Å; C272-C274 PolarHBondContact O-N 3.42Å; C272-D278 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 273 | A | 96.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 60% | 0.603 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -69.1 | -33.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q133 P275 | Q133-A273 PolarHBondContact NE2-O 3.26Å; A273-P275 WeakPolarHBondContact O-CD 3.44Å |
| 274 | C | 96 | Very high | 96.8 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 36% | 0.358 | 19% | 0.185 | S | C | . | . | trans | -127.6 | 74.9 | -173.4 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | C272 G276 R277 D278 | C272-C274 PolarHBondContact O-N 3.42Å; C274-G276 PolarHBondContact O-N 2.95Å; C274-R277 HydrophobicContact CB-CB 4.06Å; C274-R277 PolarHBondContact O-N 2.63Å; C274-R277 VanDerWaalsContact O-N 3.13Å; C274-D278 PolarHBondContact O-N 2.69Å; C274-D278 VanDerWaalsContact O-N 3.1Å | ||
| 275 | P | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52.9 | -46.4 | -175 | -30.3 | 37.3 | 0 | 0 | 0 | 114.8 | V119 T122 F131 Q133 A273 R277 D278 R279 | V119-P275 HydrophobicContact CG1-CB 4.24Å; T122-P275 HydrophobicContact CG2-CB 3.88Å; F131-P275 HydrophobicContact CB-CB 3.78Å; Q133-P275 HydrophobicContact CG-CG 3.8Å; A273-P275 WeakPolarHBondContact O-CD 3.44Å; P275-R277 VanDerWaalsContact C-N 3.31Å; P275-R277 PolarHBondContact O-N 3.26Å; P275-D278 PolarHBondContact O-N 3.1Å; P275-R279 VanDerWaalsContact O-CB 3.27Å; P275-R279 WeakPolarHBondContact O-CB 3.28Å; P275-R279 PolarHBondContact O-N 2.59Å |
| 276 | G | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.1 | -26.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T115 C274 R280 | T115-G276 CarbonylContact O-C 3.58Å; T115-G276 WeakPolarHBondContact O-CA 3.43Å; C274-G276 PolarHBondContact O-N 2.95Å; G276-R280 WeakPolarHBondContact O-CG 3.46Å; G276-R280 PolarHBondContact O-N 3.43Å; G276-R280 PolarHBondContact O-NE 3.16Å; G276-R280 VanDerWaalsContact O-NE 3.09Å |
| 277 | R | 95.7 | Very high | 95.9 | Very high | 138 Ų | 138 | 48 Ų | 48 | 52% | 0.521 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -75.3 | -54 | 172.8 | -178.2 | -163.2 | 65.8 | 170.9 | -0.5 | 110 | C274 P275 R279 R280 T281 | C274-R277 HydrophobicContact CB-CB 4.06Å; C274-R277 PolarHBondContact O-N 2.63Å; C274-R277 VanDerWaalsContact O-N 3.13Å; P275-R277 VanDerWaalsContact C-N 3.31Å; P275-R277 PolarHBondContact O-N 3.26Å; R277-R279 VanDerWaalsContact C-N 3.26Å; R277-R279 PolarHBondContact O-N 3.5Å; R277-R280 PolarHBondContact O-N 3.33Å; R277-R280 VanDerWaalsContact O-N 3.1Å; R277-T281 PolarHBondContact O-N 3.11Å; R277-T281 PolarHBondContact O-OG1 2.91Å |
| 278 | D | 96.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 50 Ų | 50 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | -176.4 | -76.1 | 27.3 | 0 | 0 | 0 | 111 | F131 R270 C272 C274 P275 E282 | F131-D278 HydrophobicContact CD1-CB 3.98Å; F131-D278 HydrophobicContact CE1-CB 4.17Å; R270-D278 IonicContact CZ-OD2 3.74Å; R270-D278 VanDerWaalsContact CZ-OD2 3.31Å; R270-D278 IonicContact NE-OD2 2.67Å; R270-D278 PolarHBondContact NE-OD2 2.87Å; R270-D278 IonicContact NH2-OD2 3.23Å; R270-D278 PolarHBondContact NH2-OD2 3.42Å; C272-D278 WeakPolarHBondContact CB-OD2 3.42Å; C274-D278 PolarHBondContact O-N 2.69Å; C274-D278 VanDerWaalsContact O-N 3.1Å; P275-D278 PolarHBondContact O-N 3.1Å; D278-E282 WeakPolarHBondContact O-CB 3.38Å; D278-E282 WeakPolarHBondContact O-CG 3.26Å; D278-E282 PolarHBondContact O-N 3.12Å |
| 279 | R | 96.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.9 | -51.2 | 172 | 175.8 | 172.4 | 165.9 | -157.5 | 3.5 | 112.4 | S113 T115 T122 Y123 F131 P275 R277 T281 E282 E283 | S113-R279 PolarHBondContact O-NH1 3.37Å; T115-R279 HydrophobicContact CG2-CG 4.21Å; T122-R279 HydrophobicContact CG2-CB 4.16Å; T122-R279 WeakPolarHBondContact OG1-CD 3.5Å; T122-R279 PolarHBondContact OG1-NH1 2.9Å; Y123-R279 PolarHBondContact O-NE 2.97Å; Y123-R279 PolarHBondContact O-NH1 3.42Å; Y123-R279 VanDerWaalsContact O-NH1 3.14Å; Y123-R279 PolarHBondContact O-NH2 2.86Å; F131-R279 HydrophobicContact CD1-CB 4.32Å; F131-R279 HydrophobicContact CD2-CB 3.76Å; F131-R279 HydrophobicContact CD2-CG 4.13Å; F131-R279 HydrophobicContact CE1-CB 4.42Å; F131-R279 HydrophobicContact CE2-CB 3.89Å; F131-R279 HydrophobicContact CE2-CG 4.05Å; F131-R279 HydrophobicContact CG-CB 4Å; F131-R279 HydrophobicContact CZ-CB 4.23Å; P275-R279 VanDerWaalsContact O-CB 3.27Å; P275-R279 WeakPolarHBondContact O-CB 3.28Å; P275-R279 PolarHBondContact O-N 2.59Å; R277-R279 VanDerWaalsContact C-N 3.26Å; R277-R279 PolarHBondContact O-N 3.5Å; R279-T281 PolarHBondContact O-N 2.88Å; R279-E282 PolarHBondContact O-N 3.47Å; R279-E283 HydrophobicContact CG-CG 4.22Å; R279-E283 IonicContact CZ-OE1 3.81Å; R279-E283 IonicContact NE-OE1 2.65Å; R279-E283 PolarHBondContact NE-OE1 3.44Å; R279-E283 IonicContact NE-OE2 3.51Å; R279-E283 IonicContact NH2-OE1 2.68Å; R279-E283 PolarHBondContact NH2-OE1 3.42Å; R279-E283 WeakPolarHBondContact O-CB 3.48Å; R279-E283 WeakPolarHBondContact O-CG 3.15Å; R279-E283 PolarHBondContact O-N 3.27Å |
| 280 | R | 95.3 | Very high | 93.6 | Very high | 116 Ų | 116 | 61 Ų | 61 | 44% | 0.438 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | -179.2 | -77.6 | -177.1 | -71.1 | 172.2 | 1.5 | 111.8 | T115 G276 R277 E283 E284 | T115-R280 HydrophobicContact CG2-CG 4.15Å; G276-R280 WeakPolarHBondContact O-CG 3.46Å; G276-R280 PolarHBondContact O-N 3.43Å; G276-R280 PolarHBondContact O-NE 3.16Å; G276-R280 VanDerWaalsContact O-NE 3.09Å; R277-R280 PolarHBondContact O-N 3.33Å; R277-R280 VanDerWaalsContact O-N 3.1Å; R280-E283 PolarHBondContact O-N 3.42Å; R280-E284 VanDerWaalsContact O-CB 3.26Å; R280-E284 WeakPolarHBondContact O-CB 3.25Å; R280-E284 PolarHBondContact O-N 3.3Å |
| 281 | T | 95.4 | Very high | 92 | Very high | 69 Ų | 69 | 62 Ų | 62 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | R277 R279 E284 N285 | R277-T281 PolarHBondContact O-N 3.11Å; R277-T281 PolarHBondContact O-OG1 2.91Å; R279-T281 PolarHBondContact O-N 2.88Å; T281-E284 PolarHBondContact O-N 2.88Å; T281-N285 WeakPolarHBondContact O-CB 3.41Å; T281-N285 PolarHBondContact O-N 3.32Å; T281-N285 PolarHBondContact O-ND2 3.42Å |
| 282 | E | 95.8 | Very high | 90 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.1 | -39 | 179.3 | -71.4 | -167.4 | -156.5 | 0 | 0 | 112.8 | L127 K129 F131 R270 D278 R279 N285 F286 | L127-E282 HydrophobicContact CD1-CB 3.85Å; K129-E282 WeakPolarHBondContact CD-OE2 3.39Å; K129-E282 VanDerWaalsContact CE-OE2 3.28Å; K129-E282 WeakPolarHBondContact CE-OE2 3.31Å; K129-E282 IonicContact NZ-OE1 3.45Å; K129-E282 PolarHBondContact NZ-OE1 3.01Å; K129-E282 IonicContact NZ-OE2 3.96Å; K129-E282 PolarHBondContact NZ-OE2 3.13Å; F131-E282 HydrophobicContact CE1-CB 4.44Å; F131-E282 HydrophobicContact CE1-CG 4.28Å; F131-E282 HydrophobicContact CZ-CB 4.09Å; F131-E282 HydrophobicContact CZ-CG 4.37Å; R270-E282 WeakPolarHBondContact CD-OE1 3.23Å; R270-E282 IonicContact CZ-OE1 3.33Å; R270-E282 IonicContact NE-OE1 2.76Å; R270-E282 IonicContact NH1-OE1 2.99Å; R270-E282 PolarHBondContact NH1-OE1 3.04Å; D278-E282 WeakPolarHBondContact O-CB 3.38Å; D278-E282 WeakPolarHBondContact O-CG 3.26Å; D278-E282 PolarHBondContact O-N 3.12Å; R279-E282 PolarHBondContact O-N 3.47Å; E282-N285 PolarHBondContact O-N 3.27Å; E282-F286 VanDerWaalsContact O-CB 3.31Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 2.98Å |
| 283 | E | 95.4 | Very high | 87.7 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 173.7 | -76.2 | 178.2 | 167.9 | 0 | 0 | 111.5 | S124 P126 L127 R279 R280 F286 R287 | S124-E283 VanDerWaalsContact CB-OE1 3.23Å; S124-E283 WeakPolarHBondContact CB-OE1 3.01Å; S124-E283 VanDerWaalsContact OG-CG 3.31Å; S124-E283 WeakPolarHBondContact OG-CG 3.15Å; S124-E283 PolarHBondContact OG-OE1 2.67Å; P126-E283 HydrophobicContact CG-CG 4.26Å; L127-E283 HydrophobicContact CD1-CG 4.04Å; L127-E283 HydrophobicContact CG-CG 4.48Å; R279-E283 HydrophobicContact CG-CG 4.22Å; R279-E283 IonicContact CZ-OE1 3.81Å; R279-E283 IonicContact NE-OE1 2.65Å; R279-E283 PolarHBondContact NE-OE1 3.44Å; R279-E283 IonicContact NE-OE2 3.51Å; R279-E283 IonicContact NH2-OE1 2.68Å; R279-E283 PolarHBondContact NH2-OE1 3.42Å; R279-E283 WeakPolarHBondContact O-CB 3.48Å; R279-E283 WeakPolarHBondContact O-CG 3.15Å; R279-E283 PolarHBondContact O-N 3.27Å; R280-E283 PolarHBondContact O-N 3.42Å; E283-F286 PolarHBondContact O-N 3.49Å; E283-R287 WeakPolarHBondContact O-CB 3.42Å; E283-R287 PolarHBondContact O-N 3.23Å |
| 284 | E | 94.7 | Very high | 85.4 | Confident | 29 Ų | 29 | 69.3 Ų | 69.3 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 176.5 | -167.3 | -165.6 | -174 | 0 | 0 | 111.5 | R280 T281 F286 R287 K288 | R280-E284 VanDerWaalsContact O-CB 3.26Å; R280-E284 WeakPolarHBondContact O-CB 3.25Å; R280-E284 PolarHBondContact O-N 3.3Å; T281-E284 PolarHBondContact O-N 2.88Å; E284-F286 VanDerWaalsContact C-N 3.27Å; E284-F286 PolarHBondContact O-N 3.36Å; E284-R287 PolarHBondContact O-N 2.97Å; E284-K288 HydrophobicContact CG-CD 4.39Å; E284-K288 WeakPolarHBondContact O-CG 3.39Å; E284-K288 PolarHBondContact O-N 3.48Å; E284-K288 WeakPolarHBondContact OE1-CE 3.45Å; E284-K288 IonicContact OE1-NZ 2.83Å; E284-K288 PolarHBondContact OE1-NZ 2.87Å; E284-K288 IonicContact OE2-NZ 3.87Å; E284-K288 PolarHBondContact OE2-NZ 3.41Å |
| 285 | N | 93.4 | Very high | 82.7 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 174.9 | -70.9 | -17.4 | 0 | 0 | 0 | 111.5 | T281 E282 K288 K289 | T281-N285 WeakPolarHBondContact O-CB 3.41Å; T281-N285 PolarHBondContact O-N 3.32Å; T281-N285 PolarHBondContact O-ND2 3.42Å; E282-N285 PolarHBondContact O-N 3.27Å; N285-K288 PolarHBondContact O-N 3.47Å; N285-K289 WeakPolarHBondContact O-CB 3.48Å; N285-K289 PolarHBondContact O-N 3.16Å |
| 286 | F | 91.2 | Very high | 80.4 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 30% | 0.303 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 175.2 | -176.3 | -101.1 | 0 | 0 | 0 | 111.8 | P126 L127 E282 E283 E284 K288 K289 E290 | P126-F286 HydrophobicContact CB-CD1 4.4Å; P126-F286 HydrophobicContact CB-CE1 4.19Å; L127-F286 HydrophobicContact CD2-CB 3.69Å; L127-F286 HydrophobicContact CD2-CD1 4.1Å; L127-F286 HydrophobicContact CD2-CD2 3.55Å; L127-F286 HydrophobicContact CD2-CE2 4.19Å; L127-F286 HydrophobicContact CD2-CG 3.51Å; E282-F286 VanDerWaalsContact O-CB 3.31Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 2.98Å; E283-F286 PolarHBondContact O-N 3.49Å; E284-F286 VanDerWaalsContact C-N 3.27Å; E284-F286 PolarHBondContact O-N 3.36Å; F286-K288 PolarHBondContact O-N 2.82Å; F286-K289 CarbonylContact O-C 3.48Å; F286-K289 WeakPolarHBondContact O-CB 3.44Å; F286-K289 PolarHBondContact O-N 3.38Å; F286-K289 VanDerWaalsContact O-N 3.16Å; F286-E290 HydrophobicContact CD1-CG 4.29Å; F286-E290 HydrophobicContact CE1-CG 3.91Å; F286-E290 WeakPolarHBondContact CE1-OE1 3.41Å; F286-E290 HydrophobicContact CZ-CG 4.06Å; F286-E290 WeakPolarHBondContact CZ-OE1 3.21Å; F286-E290 PolarHBondContact O-N 3.16Å |
| 287 | R | 90.4 | Very high | 77.7 | Confident | 142 Ų | 142 | 88.4 Ų | 88.4 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 174.7 | -175.7 | -175.7 | 65.9 | 177.6 | -1.8 | 112 | E283 E284 K289 E290 V291 | E283-R287 WeakPolarHBondContact O-CB 3.42Å; E283-R287 PolarHBondContact O-N 3.23Å; E284-R287 PolarHBondContact O-N 2.97Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 3.45Å; R287-E290 PolarHBondContact O-N 3.46Å; R287-V291 HydrophobicContact CG-CG2 4.2Å; R287-V291 WeakPolarHBondContact O-CB 3.12Å; R287-V291 WeakPolarHBondContact O-CG2 3.31Å; R287-V291 PolarHBondContact O-N 3.12Å |
| 288 | K | 88.9 | Confident | 74.9 | Confident | 40 Ų | 40 | 88.5 Ų | 88.5 | 17% | 0.174 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 174.4 | -75.1 | 170.8 | -179.8 | 157.8 | 0 | 109.1 | E284 N285 F286 E290 V291 L292 A350 | E284-K288 HydrophobicContact CG-CD 4.39Å; E284-K288 WeakPolarHBondContact O-CG 3.39Å; E284-K288 PolarHBondContact O-N 3.48Å; E284-K288 WeakPolarHBondContact OE1-CE 3.45Å; E284-K288 IonicContact OE1-NZ 2.83Å; E284-K288 PolarHBondContact OE1-NZ 2.87Å; E284-K288 IonicContact OE2-NZ 3.87Å; E284-K288 PolarHBondContact OE2-NZ 3.41Å; N285-K288 PolarHBondContact O-N 3.47Å; F286-K288 PolarHBondContact O-N 2.82Å; K288-E290 PolarHBondContact O-N 3.26Å; K288-V291 PolarHBondContact O-N 2.63Å; K288-L292 VanDerWaalsContact O-CD1 3.31Å; K288-L292 WeakPolarHBondContact O-CD1 3.47Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å; K288-L292 PolarHBondContact O-N 2.84Å; K288-A350 HydrophobicContact CD-CB 4.32Å; K288-A350 VanDerWaalsContact NZ-CA 3.27Å; K288-A350 PolarHBondContact NZ-O 3.33Å |
| 289 | K | 82.9 | Confident | 72.3 | Confident | 139 Ų | 139 | 90.9 Ų | 90.9 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.5 | -38.7 | 177.6 | -163.4 | 172.7 | -175.4 | 174.1 | 0 | 114.4 | N285 F286 R287 C293 | N285-K289 WeakPolarHBondContact O-CB 3.48Å; N285-K289 PolarHBondContact O-N 3.16Å; F286-K289 CarbonylContact O-C 3.48Å; F286-K289 WeakPolarHBondContact O-CB 3.44Å; F286-K289 PolarHBondContact O-N 3.38Å; F286-K289 VanDerWaalsContact O-N 3.16Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 3.45Å; K289-C293 PolarHBondContact O-N 3.23Å |
| 290 | E | 75.1 | Confident | 69.9 | Low | 112 Ų | 112 | 95.4 Ų | 95.4 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.8 | -41.9 | 176 | -77.7 | -171.6 | 151.4 | 0 | 0 | 112.6 | F286 R287 K288 L292 C293 | F286-E290 HydrophobicContact CD1-CG 4.29Å; F286-E290 HydrophobicContact CE1-CG 3.91Å; F286-E290 WeakPolarHBondContact CE1-OE1 3.41Å; F286-E290 HydrophobicContact CZ-CG 4.06Å; F286-E290 WeakPolarHBondContact CZ-OE1 3.21Å; F286-E290 PolarHBondContact O-N 3.16Å; R287-E290 PolarHBondContact O-N 3.46Å; K288-E290 PolarHBondContact O-N 3.26Å; E290-L292 PolarHBondContact O-N 3.47Å; E290-C293 CarbonylContact O-C 3.52Å; E290-C293 PolarHBondContact O-N 3.29Å |
| 291 | V | 62.9 | Low | 67.1 | Low | 108 Ų | 108 | 94.5 Ų | 94.5 | 66% | 0.655 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -28.9 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111 | R287 K288 C293 | R287-V291 HydrophobicContact CG-CG2 4.2Å; R287-V291 WeakPolarHBondContact O-CB 3.12Å; R287-V291 WeakPolarHBondContact O-CG2 3.31Å; R287-V291 PolarHBondContact O-N 3.12Å; K288-V291 PolarHBondContact O-N 2.63Å; V291-C293 VanDerWaalsContact C-N 3.33Å |
| 292 | L | 57.3 | Low | 65 | Low | 59 Ų | 59 | 101 Ų | 101 | 31% | 0.309 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.6 | -25.2 | 172.2 | -62 | 163.8 | 0 | 0 | 0 | 111.4 | K288 E290 P294 D321 G322 Y324 | K288-L292 VanDerWaalsContact O-CD1 3.31Å; K288-L292 WeakPolarHBondContact O-CD1 3.47Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å; K288-L292 PolarHBondContact O-N 2.84Å; E290-L292 PolarHBondContact O-N 3.47Å; L292-P294 VanDerWaalsContact O-CD 3.25Å; L292-P294 WeakPolarHBondContact O-CD 3.37Å; L292-D321 WeakPolarHBondContact CD2-O 3.49Å; L292-G322 CarbonylContact C-O 3.35Å; L292-G322 CarbonylContact O-C 3.54Å; L292-G322 VanDerWaalsContact O-CA 3.28Å; L292-G322 WeakPolarHBondContact O-CA 3.46Å; L292-Y324 HydrophobicContact CB-CE2 3.6Å |
| 293 | C | 49.4 | Very low | 62.5 | Low | 75 Ų | 75 | 110.8 Ų | 110.8 | 51% | 0.507 | 60% | 0.595 | S | S | . | * | trans | -114.8 | 83.1 | 179.7 | -84.7 | 0 | 0 | 0 | 0 | 114.6 | K289 E290 V291 E295 Y324 | K289-C293 PolarHBondContact O-N 3.23Å; E290-C293 CarbonylContact O-C 3.52Å; E290-C293 PolarHBondContact O-N 3.29Å; V291-C293 VanDerWaalsContact C-N 3.33Å; C293-E295 PolarHBondContact O-N 3.32Å; C293-Y324 HydrophobicContact CB-CE2 4.41Å; C293-Y324 WeakPolarHBondContact SG-CD2 3.49Å; C293-Y324 WeakPolarHBondContact SG-CE2 3.15Å | ||
| 294 | P | 47.1 | Very low | 59.8 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 67% | 0.669 | 63% | 0.626 | S | S | * | * | trans | -71.9 | 119.9 | 156.8 | -2.2 | 18.5 | 0 | 0 | 0 | 108.7 | L292 L296 | L292-P294 VanDerWaalsContact O-CD 3.25Å; L292-P294 WeakPolarHBondContact O-CD 3.37Å; P294-L296 PolarHBondContact O-N 3.18Å | ||
| 295 | E | 39.8 | Very low | 57.2 | Low | 199 Ų | 199 | 120.2 Ų | 120.2 | 93% | 0.93 | 66% | 0.661 | S | S | * | * | trans | -51.6 | 107 | 169.2 | -74.7 | -110.7 | 138.3 | 0 | 0 | 110 | C293 | C293-E295 PolarHBondContact O-N 3.32Š| ||
| 296 | L | 47.9 | Very low | 54.9 | Low | 145 Ų | 145 | 121.6 Ų | 121.6 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | trans | -74.3 | 129.9 | 169.9 | -79.2 | 164.8 | 0 | 0 | 0 | 108.5 | P294 | P294-L296 PolarHBondContact O-N 3.18Š| ||
| 297 | P | 40.7 | Very low | 52.4 | Low | 110 Ų | 110 | 125.2 Ų | 125.2 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | trans | -62.4 | 145.1 | 179.9 | 24.7 | -31.8 | 0 | 0 | 0 | 110.9 | G299 | P297-G299 PolarHBondContact O-N 3.06Š| ||
| 298 | P | 37.4 | Very low | 49.6 | Very low | 140 Ų | 140 | 124 Ų | 124 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -76.1 | 99.9 | -174.7 | 30.8 | -31.9 | 0 | 0 | 0 | 109.4 | ||
| 299 | G | 39.8 | Very low | 47.2 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | 165.9 | 88.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P297 | P297-G299 PolarHBondContact O-N 3.06Š| ||
| 300 | S | 46.8 | Very low | 45.1 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | 172.5 | 82.5 | 134.1 | 44.4 | 0 | 0 | 0 | 0 | 111 | K302 | S300-K302 PolarHBondContact O-N 3.24Š| ||
| 301 | A | 37.1 | Very low | 43.3 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -73.1 | 114.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 302 | K | 50.8 | Low | 42.3 | Very low | 204 Ų | 204 | 126.1 Ų | 126.1 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | 174.5 | 92.5 | 145.1 | -94 | 161.1 | -171.8 | -173.8 | 0 | 112.4 | S300 | S300-K302 PolarHBondContact O-N 3.24Š| ||
| 303 | R | 43 | Very low | 41.5 | Very low | 251 Ų | 251 | 129 Ų | 129 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | 34.7 | 109.2 | 124.8 | -160.3 | 179.6 | -137.5 | 175.5 | 3.7 | 118.7 | |||||
| 304 | A | 38.7 | Very low | 41.1 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | 170 | 135 | 125.1 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 305 | L | 39.9 | Very low | 40.5 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -112.3 | 170.6 | 167.7 | -111.7 | 108.2 | 0 | 0 | 0 | 107.7 | ||||
| 306 | P | 45.1 | Very low | 40.2 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 81% | 0.812 | S | S | * | * | -136.6 | 162.2 | -53.2 | 40.5 | -24.1 | 0 | 0 | 0 | 112.4 | |||||
| 307 | T | 40.3 | Very low | 39.5 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -141.5 | 122.1 | 161.9 | -45.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 308 | C | 30.7 | Very low | 39.4 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -65.6 | 138.8 | 179.1 | -53 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 309 | T | 39.1 | Very low | 39.6 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -158.9 | 118 | 144.6 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 310 | S | 38.8 | Very low | 40 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | 28.7 | 134.2 | 154.6 | 85.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 311 | A | 35.7 | Very low | 40.7 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | 80.8 | 98.3 | 131.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 312 | S | 43.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 169 | 133.5 | 127.6 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 313 | P | 40.9 | Very low | 44.2 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -87.4 | 174.2 | 156.6 | 37.4 | -29 | 0 | 0 | 0 | 108.6 | ||||
| 314 | P | 40.2 | Very low | 46.2 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | cis | -131.4 | 168.6 | -2.8 | 38.8 | -21.6 | 0 | 0 | 0 | 113 | ||||
| 315 | Q | 35.3 | Very low | 48.7 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -173.7 | 129 | 146.3 | -104.8 | 166.2 | 23.5 | 0 | 0 | 110.2 | K317 | Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 3.45Å | ||
| 316 | K | 33.4 | Very low | 51.2 | Low | 216 Ų | 216 | 132.1 Ų | 132.1 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | trans | -61.3 | 89.6 | 175.1 | -71.4 | 176.9 | 176.2 | 177.4 | 0 | 109.6 | K318 | K316-K318 PolarHBondContact O-N 2.91Š| ||
| 317 | K | 32.7 | Very low | 53.6 | Low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -72.3 | 115.3 | 170 | -73.3 | -175.6 | 177 | -178.7 | 0 | 107.9 | Q315 | Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 3.45Å | ||
| 318 | K | 38.7 | Very low | 56.2 | Low | 184 Ų | 184 | 135.5 Ų | 135.5 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | trans | -49.2 | 140.6 | 161.4 | -76.5 | 174.1 | 173.1 | 179.4 | 0 | 107.9 | K316 L320 | K316-K318 PolarHBondContact O-N 2.91Å; K318-L320 PolarHBondContact O-N 3.27Å | ||
| 319 | P | 42.3 | Very low | 59.3 | Low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | -60.6 | 110.3 | 179.5 | -9.9 | 23.7 | 0 | 0 | 0 | 108 | D321 | P319-D321 VanDerWaalsContact C-N 3.35Å; P319-D321 HydrophobicContact CB-CB 4.42Å; P319-D321 PolarHBondContact O-N 3.06Å | ||
| 320 | L | 46.9 | Very low | 62 | Low | 164 Ų | 164 | 136.6 Ų | 136.6 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | trans | -83.3 | 86.6 | 165.4 | -81.4 | 153.2 | 0 | 0 | 0 | 104.4 | K318 | K318-L320 PolarHBondContact O-N 3.27Š| ||
| 321 | D | 61.5 | Low | 64.7 | Low | 130 Ų | 130 | 133.7 Ų | 133.7 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | -139 | 84.5 | -171.8 | -151.8 | 18.1 | 0 | 0 | 0 | 110.6 | L292 P319 | L292-D321 WeakPolarHBondContact CD2-O 3.49Å; P319-D321 VanDerWaalsContact C-N 3.35Å; P319-D321 HydrophobicContact CB-CB 4.42Å; P319-D321 PolarHBondContact O-N 3.06Å | ||
| 322 | G | 74.6 | Confident | 67.5 | Low | 17 Ų | 17 | 139 Ų | 139 | 18% | 0.175 | 70% | 0.697 | C | S | . | * | trans | -135.1 | -12.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L292 Y324 | L292-G322 CarbonylContact C-O 3.35Å; L292-G322 CarbonylContact O-C 3.54Å; L292-G322 VanDerWaalsContact O-CA 3.28Å; L292-G322 WeakPolarHBondContact O-CA 3.46Å; G322-Y324 VanDerWaalsContact O-CD2 3.29Å; G322-Y324 WeakPolarHBondContact O-CD2 3.12Å; G322-Y324 PolarHBondContact O-N 3.46Å; G322-Y324 VanDerWaalsContact O-N 3.12Å | ||
| 323 | E | 86.4 | Confident | 70 | Confident | 127 Ų | 127 | 142.3 Ų | 142.3 | 59% | 0.593 | 70% | 0.697 | S | S | * | * | trans | -59.9 | 119.6 | -172.7 | -167.1 | 175.5 | 178.3 | 0 | 0 | 111.7 | F325 | E323-F325 HydrophobicContact CB-CE2 3.81Å; E323-F325 HydrophobicContact CB-CZ 3.8Å; E323-F325 HydrophobicContact CG-CE1 3.91Å; E323-F325 HydrophobicContact CG-CE2 3.93Å; E323-F325 HydrophobicContact CG-CZ 3.54Å; E323-F325 VanDerWaalsContact O-CD2 3.24Å; E323-F325 WeakPolarHBondContact O-CD2 3.31Å; E323-F325 VanDerWaalsContact O-CE2 3.23Å; E323-F325 WeakPolarHBondContact O-CE2 3.06Å; E323-F325 WeakPolarHBondContact OE1-CE1 3.28Å; E323-F325 WeakPolarHBondContact OE2-CZ 3.42Å | ||
| 324 | Y | 85.7 | Confident | 72.5 | Confident | 110 Ų | 110 | 142.8 Ų | 142.8 | 43% | 0.431 | 68% | 0.683 | S | S | . | * | trans | -82.6 | 126.2 | 173.8 | -76.2 | -95.6 | 0 | 0 | 0 | 110 | L292 C293 G322 | L292-Y324 HydrophobicContact CB-CE2 3.6Å; C293-Y324 HydrophobicContact CB-CE2 4.41Å; C293-Y324 WeakPolarHBondContact SG-CD2 3.49Å; C293-Y324 WeakPolarHBondContact SG-CE2 3.15Å; G322-Y324 VanDerWaalsContact O-CD2 3.29Å; G322-Y324 WeakPolarHBondContact O-CD2 3.12Å; G322-Y324 PolarHBondContact O-N 3.46Å; G322-Y324 VanDerWaalsContact O-N 3.12Å | ||
| 325 | F | 91.4 | Very high | 75.2 | Confident | 152 Ų | 152 | 141.8 Ų | 141.8 | 67% | 0.667 | 67% | 0.667 | S | S | * | * | trans | -106.1 | 137 | 175.1 | -59.3 | -85.2 | 0 | 0 | 0 | 110.7 | E323 L327 | E323-F325 HydrophobicContact CB-CE2 3.81Å; E323-F325 HydrophobicContact CB-CZ 3.8Å; E323-F325 HydrophobicContact CG-CE1 3.91Å; E323-F325 HydrophobicContact CG-CE2 3.93Å; E323-F325 HydrophobicContact CG-CZ 3.54Å; E323-F325 VanDerWaalsContact O-CD2 3.24Å; E323-F325 WeakPolarHBondContact O-CD2 3.31Å; E323-F325 VanDerWaalsContact O-CE2 3.23Å; E323-F325 WeakPolarHBondContact O-CE2 3.06Å; E323-F325 WeakPolarHBondContact OE1-CE1 3.28Å; E323-F325 WeakPolarHBondContact OE2-CZ 3.42Å; F325-L327 PolarHBondContact O-N 3.5Å | ||
| 326 | T | 93.3 | Very high | 78.1 | Confident | 138 Ų | 138 | 136 Ų | 136 | 85% | 0.847 | 64% | 0.64 | S | S | * | * | trans | -83.3 | 110.6 | 173 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 327 | L | 94.1 | Very high | 81 | Confident | 122 Ų | 122 | 131.5 Ų | 131.5 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | trans | -96.8 | 116.4 | 176 | -174.5 | 62.2 | 0 | 0 | 0 | 111.3 | F325 I329 F338 | F325-L327 PolarHBondContact O-N 3.5Å; L327-I329 HydrophobicContact CD2-CD1 4.06Å; L327-I329 HydrophobicContact CD2-CG1 4.1Å; L327-I329 HydrophobicContact CG-CD1 4.33Å; L327-I329 HydrophobicContact CG-CG1 3.92Å; L327-F338 HydrophobicContact CD2-CD1 4.47Å | ||
| 328 | K | 95.2 | Very high | 84.1 | Confident | 196 Ų | 196 | 127.3 Ų | 127.3 | 85% | 0.852 | 61% | 0.605 | S | S | * | * | trans | -83.7 | 114 | 175 | -67.8 | -174.8 | 179.1 | -179.1 | 0 | 110.5 | ||||
| 329 | I | 96.1 | Very high | 86.8 | Confident | 50 Ų | 50 | 123.3 Ų | 123.3 | 26% | 0.256 | 59% | 0.585 | S | S | . | * | trans | -112.1 | 125.2 | -177.6 | -55 | 172.5 | 0 | 0 | 0 | 110.3 | L327 R334 F335 F338 | L327-I329 HydrophobicContact CD2-CD1 4.06Å; L327-I329 HydrophobicContact CD2-CG1 4.1Å; L327-I329 HydrophobicContact CG-CD1 4.33Å; L327-I329 HydrophobicContact CG-CG1 3.92Å; I329-R334 HydrophobicContact CG2-CB 3.97Å; I329-R334 HydrophobicContact CG2-CG 3.7Å; I329-F335 HydrophobicContact CD1-CD2 4.42Å; I329-F335 HydrophobicContact CG2-CB 4.3Å; I329-F338 HydrophobicContact CD1-CB 3.55Å; I329-F338 HydrophobicContact CD1-CD2 3.81Å; I329-F338 HydrophobicContact CD1-CG 3.8Å; I329-F338 HydrophobicContact CG1-CD2 4.47Å; I329-F338 HydrophobicContact CG2-CD2 4.28Å | ||
| 330 | R | 96 | Very high | 89.3 | Confident | 221 Ų | 221 | 123.9 Ų | 123.9 | 83% | 0.834 | 58% | 0.577 | S | S | * | * | trans | -84 | 124.5 | 172.2 | -177.6 | 179.9 | 171.7 | 127.3 | -1.3 | 110.7 | R334 | R330-R334 PolarHBondContact O-NH1 2.94Å; R330-R334 VanDerWaalsContact O-NH1 3.13Å | ||
| 331 | G | 95.2 | Very high | 91.6 | Very high | 46 Ų | 46 | 120.9 Ų | 120.9 | 47% | 0.474 | 56% | 0.561 | S | S | . | * | S | Bend | trans | 95.1 | 135.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R334 F335 | G331-R334 PolarHBondContact O-N 3.45Å; G331-F335 PolarHBondContact O-N 2.93Å |
| 332 | R | 94.9 | Very high | 93.2 | Very high | 200 Ų | 200 | 118.7 Ų | 118.7 | 76% | 0.755 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.6 | -50.7 | -175.5 | -177.7 | 179.7 | -73.7 | -90.3 | 4.4 | 113.1 | R334 F335 E336 | R332-R334 PolarHBondContact O-N 3.26Å; R332-F335 WeakPolarHBondContact O-CB 3.25Å; R332-F335 PolarHBondContact O-N 2.97Å; R332-F335 VanDerWaalsContact O-N 3.11Å; R332-E336 HydrophobicContact CG-CG 4.44Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.33Å |
| 333 | K | 95 | Very high | 94.1 | Very high | 186 Ų | 186 | 122.6 Ų | 122.6 | 81% | 0.809 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.7 | -39.3 | 179.4 | -68.3 | -174.2 | 178.3 | -176 | 0 | 112.3 | M337 | K333-M337 WeakPolarHBondContact O-CG 3.19Å; K333-M337 PolarHBondContact O-N 3.42Å |
| 334 | R | 94.4 | Very high | 94.4 | Very high | 131 Ų | 131 | 119 Ų | 119 | 49% | 0.494 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.6 | -43.5 | 177.6 | -169.8 | -178.6 | -70.2 | 150.6 | -9.3 | 111.5 | I329 R330 G331 R332 E336 M337 F338 | I329-R334 HydrophobicContact CG2-CB 3.97Å; I329-R334 HydrophobicContact CG2-CG 3.7Å; R330-R334 PolarHBondContact O-NH1 2.94Å; R330-R334 VanDerWaalsContact O-NH1 3.13Å; G331-R334 PolarHBondContact O-N 3.45Å; R332-R334 PolarHBondContact O-N 3.26Å; R334-E336 VanDerWaalsContact C-N 3.34Å; R334-E336 PolarHBondContact O-N 3.46Å; R334-M337 HydrophobicContact CB-CE 4.4Å; R334-M337 HydrophobicContact CG-CE 4.45Å; R334-M337 PolarHBondContact O-N 3.03Å; R334-F338 HydrophobicContact CG-CD2 3.85Å; R334-F338 HydrophobicContact CG-CE2 3.71Å; R334-F338 VanDerWaalsContact O-CD2 3.31Å; R334-F338 WeakPolarHBondContact O-CD2 3.46Å; R334-F338 PolarHBondContact O-N 3.36Å; R334-F338 VanDerWaalsContact O-N 3.14Å |
| 335 | F | 96.9 | Very high | 94.8 | Very high | 96 Ų | 96 | 117.6 Ų | 117.6 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.1 | -46.2 | 174.5 | 166.5 | -99.1 | 0 | 0 | 0 | 112 | I329 G331 R332 M337 F338 R339 | I329-F335 HydrophobicContact CD1-CD2 4.42Å; I329-F335 HydrophobicContact CG2-CB 4.3Å; G331-F335 PolarHBondContact O-N 2.93Å; R332-F335 WeakPolarHBondContact O-CB 3.25Å; R332-F335 PolarHBondContact O-N 2.97Å; R332-F335 VanDerWaalsContact O-N 3.11Å; F335-M337 PolarHBondContact O-N 3.09Å; F335-F338 PolarHBondContact O-N 3.04Å; F335-R339 WeakPolarHBondContact O-CB 3.4Å; F335-R339 PolarHBondContact O-N 2.99Å |
| 336 | E | 96.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 115 Ų | 115 | 29% | 0.29 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 178.4 | -65.7 | -68.2 | 145.9 | 0 | 0 | 112 | R332 R334 R339 E340 | R332-E336 HydrophobicContact CG-CG 4.44Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.33Å; R334-E336 VanDerWaalsContact C-N 3.34Å; R334-E336 PolarHBondContact O-N 3.46Å; E336-R339 PolarHBondContact O-N 3.46Å; E336-R339 IonicContact OE1-CZ 3.22Å; E336-R339 IonicContact OE1-NH1 3.6Å; E336-R339 PolarHBondContact OE1-NH1 3.3Å; E336-R339 IonicContact OE2-CZ 3.47Å; E336-R339 IonicContact OE2-NH1 2.79Å; E336-R339 PolarHBondContact OE2-NH1 2.96Å; E336-R339 IonicContact OE2-NH2 3.59Å; E336-R339 PolarHBondContact OE2-NH2 3.44Å; E336-E340 WeakPolarHBondContact O-CB 3.4Å; E336-E340 PolarHBondContact O-N 3.4Å |
| 337 | M | 94.8 | Very high | 94.4 | Very high | 121 Ų | 121 | 113.6 Ų | 113.6 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 177 | -68.8 | -174 | -64.4 | 0 | 0 | 113.1 | K333 R334 F335 R339 L341 | K333-M337 WeakPolarHBondContact O-CG 3.19Å; K333-M337 PolarHBondContact O-N 3.42Å; R334-M337 HydrophobicContact CB-CE 4.4Å; R334-M337 HydrophobicContact CG-CE 4.45Å; R334-M337 PolarHBondContact O-N 3.03Å; F335-M337 PolarHBondContact O-N 3.09Å; M337-R339 VanDerWaalsContact C-N 3.35Å; M337-L341 WeakPolarHBondContact O-CB 3.5Å; M337-L341 PolarHBondContact O-N 3.24Å |
| 338 | F | 97 | Very high | 94.1 | Very high | 97 Ų | 97 | 114.3 Ų | 114.3 | 43% | 0.425 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -35.3 | 177.7 | -83.7 | -76 | 0 | 0 | 0 | 112 | L327 I329 R334 F335 N342 | L327-F338 HydrophobicContact CD2-CD1 4.47Å; I329-F338 HydrophobicContact CD1-CB 3.55Å; I329-F338 HydrophobicContact CD1-CD2 3.81Å; I329-F338 HydrophobicContact CD1-CG 3.8Å; I329-F338 HydrophobicContact CG1-CD2 4.47Å; I329-F338 HydrophobicContact CG2-CD2 4.28Å; R334-F338 HydrophobicContact CG-CD2 3.85Å; R334-F338 HydrophobicContact CG-CE2 3.71Å; R334-F338 VanDerWaalsContact O-CD2 3.31Å; R334-F338 WeakPolarHBondContact O-CD2 3.46Å; R334-F338 PolarHBondContact O-N 3.36Å; R334-F338 VanDerWaalsContact O-N 3.14Å; F335-F338 PolarHBondContact O-N 3.04Å; F338-N342 WeakPolarHBondContact O-CB 3.46Å; F338-N342 PolarHBondContact O-N 2.94Å |
| 339 | R | 94.7 | Very high | 93.8 | Very high | 100 Ų | 100 | 109.5 Ų | 109.5 | 38% | 0.377 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -50.2 | 175.1 | -170.2 | -170.4 | 76.1 | -138.1 | -10.3 | 110.6 | F335 E336 M337 L341 N342 E343 | F335-R339 WeakPolarHBondContact O-CB 3.4Å; F335-R339 PolarHBondContact O-N 2.99Å; E336-R339 PolarHBondContact O-N 3.46Å; E336-R339 IonicContact OE1-CZ 3.22Å; E336-R339 IonicContact OE1-NH1 3.6Å; E336-R339 PolarHBondContact OE1-NH1 3.3Å; E336-R339 IonicContact OE2-CZ 3.47Å; E336-R339 IonicContact OE2-NH1 2.79Å; E336-R339 PolarHBondContact OE2-NH1 2.96Å; E336-R339 IonicContact OE2-NH2 3.59Å; E336-R339 PolarHBondContact OE2-NH2 3.44Å; M337-R339 VanDerWaalsContact C-N 3.35Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 3.06Å; R339-N342 PolarHBondContact O-N 2.92Å; R339-E343 WeakPolarHBondContact CG-OE1 3.23Å; R339-E343 IonicContact NE-OE1 3.01Å; R339-E343 PolarHBondContact NE-OE1 2.95Å; R339-E343 WeakPolarHBondContact O-CG 3.37Å; R339-E343 PolarHBondContact O-N 3.41Å |
| 340 | E | 95.1 | Very high | 93.1 | Very high | 136 Ų | 136 | 107.9 Ų | 107.9 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.2 | -43.6 | 178.2 | -175.7 | 176.9 | -173.9 | 0 | 0 | 111.8 | E336 E343 A344 | E336-E340 WeakPolarHBondContact O-CB 3.4Å; E336-E340 PolarHBondContact O-N 3.4Å; E340-E343 PolarHBondContact O-N 3.32Å; E340-A344 WeakPolarHBondContact O-CB 3.24Å; E340-A344 PolarHBondContact O-N 2.93Å |
| 341 | L | 95.6 | Very high | 92.3 | Very high | 100 Ų | 100 | 103.6 Ų | 103.6 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.6 | -179 | 63.1 | 0 | 0 | 0 | 112.2 | M337 R339 A344 L345 | M337-L341 WeakPolarHBondContact O-CB 3.5Å; M337-L341 PolarHBondContact O-N 3.24Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 3.06Å; L341-A344 PolarHBondContact O-N 3.34Å; L341-L345 HydrophobicContact CG-CD1 4.31Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 3.44Å |
| 342 | N | 95.1 | Very high | 91.5 | Very high | 85 Ų | 85 | 103.9 Ų | 103.9 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 178.4 | -170.7 | 77 | 0 | 0 | 0 | 111.3 | F338 R339 A344 L345 E346 | F338-N342 WeakPolarHBondContact O-CB 3.46Å; F338-N342 PolarHBondContact O-N 2.94Å; R339-N342 PolarHBondContact O-N 2.92Å; N342-A344 VanDerWaalsContact C-N 3.31Å; N342-A344 PolarHBondContact O-N 2.94Å; N342-L345 PolarHBondContact O-N 3.36Å; N342-E346 PolarHBondContact ND2-OE1 2.78Å; N342-E346 WeakPolarHBondContact O-CG 3.44Å; N342-E346 PolarHBondContact O-N 2.65Å |
| 343 | E | 92.8 | Very high | 90.3 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 175.6 | -71.9 | 173.4 | -173.1 | 0 | 0 | 111.7 | R339 E340 L347 | R339-E343 WeakPolarHBondContact CG-OE1 3.23Å; R339-E343 IonicContact NE-OE1 3.01Å; R339-E343 PolarHBondContact NE-OE1 2.95Å; R339-E343 WeakPolarHBondContact O-CG 3.37Å; R339-E343 PolarHBondContact O-N 3.41Å; E340-E343 PolarHBondContact O-N 3.32Å; E343-L347 VanDerWaalsContact O-CG 3.31Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 3.01Å |
| 344 | A | 94 | Very high | 88.7 | Confident | 51 Ų | 51 | 94.1 Ų | 94.1 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E340 L341 N342 K348 | E340-A344 WeakPolarHBondContact O-CB 3.24Å; E340-A344 PolarHBondContact O-N 2.93Å; L341-A344 PolarHBondContact O-N 3.34Å; N342-A344 VanDerWaalsContact C-N 3.31Å; N342-A344 PolarHBondContact O-N 2.94Å; A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.37Å |
| 345 | L | 92.7 | Very high | 87.1 | Confident | 80 Ų | 80 | 95 Ų | 95 | 42% | 0.419 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 175.7 | -71.4 | 172.5 | 0 | 0 | 0 | 111.3 | L341 N342 L347 K348 D349 | L341-L345 HydrophobicContact CG-CD1 4.31Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 3.44Å; N342-L345 PolarHBondContact O-N 3.36Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L345-L347 PolarHBondContact O-N 2.95Å; L345-K348 WeakPolarHBondContact O-CB 3.31Å; L345-K348 PolarHBondContact O-N 3.41Å; L345-K348 VanDerWaalsContact O-N 3.09Å; L345-D349 PolarHBondContact O-N 3Å |
| 346 | E | 89.8 | Confident | 85.1 | Confident | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 175.6 | -72.4 | -176.7 | -165.7 | 0 | 0 | 111.8 | N342 D349 A350 | N342-E346 PolarHBondContact ND2-OE1 2.78Å; N342-E346 WeakPolarHBondContact O-CG 3.44Å; N342-E346 PolarHBondContact O-N 2.65Å; E346-D349 PolarHBondContact O-N 2.96Å; E346-A350 WeakPolarHBondContact O-CB 3.41Å; E346-A350 PolarHBondContact O-N 3.12Å |
| 347 | L | 87.1 | Confident | 82.9 | Confident | 108 Ų | 108 | 94.9 Ų | 94.9 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 173.8 | -76.1 | 171.1 | 0 | 0 | 0 | 112 | E343 L345 D349 A350 H351 | E343-L347 VanDerWaalsContact O-CG 3.31Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 3.01Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L345-L347 PolarHBondContact O-N 2.95Å; L347-D349 PolarHBondContact O-N 3.22Å; L347-A350 WeakPolarHBondContact O-CB 3.36Å; L347-A350 PolarHBondContact O-N 3.43Å; L347-H351 PolarHBondContact O-CD2 3.43Å; L347-H351 PolarHBondContact O-N 3.03Å |
| 348 | K | 88.3 | Confident | 80.8 | Confident | 137 Ų | 137 | 96.2 Ų | 96.2 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 178.7 | -176.8 | -175 | 141.6 | -167.4 | 0 | 111.7 | A344 L345 A350 H351 A352 | A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.37Å; L345-K348 WeakPolarHBondContact O-CB 3.31Å; L345-K348 PolarHBondContact O-N 3.41Å; L345-K348 VanDerWaalsContact O-N 3.09Å; K348-A350 VanDerWaalsContact C-N 3.31Å; K348-H351 PolarHBondContact O-N 3.32Å; K348-A352 PolarHBondContact O-N 3.35Å |
| 349 | D | 88.2 | Confident | 78.2 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 177 | -65.3 | -23.5 | 0 | 0 | 0 | 111.3 | L345 E346 L347 H351 A352 T353 | L345-D349 PolarHBondContact O-N 3Å; E346-D349 PolarHBondContact O-N 2.96Å; L347-D349 PolarHBondContact O-N 3.22Å; D349-H351 VanDerWaalsContact C-N 3.33Å; D349-H351 PolarHBondContact O-N 3.14Å; D349-A352 PolarHBondContact O-N 3.25Å; D349-T353 PolarHBondContact O-N 3.48Å; D349-T353 PolarHBondContact O-OG1 2.96Å |
| 350 | A | 82.2 | Confident | 75.6 | Confident | 17 Ų | 17 | 103.6 Ų | 103.6 | 14% | 0.14 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -60.7 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K288 E346 L347 K348 | K288-A350 HydrophobicContact CD-CB 4.32Å; K288-A350 VanDerWaalsContact NZ-CA 3.27Å; K288-A350 PolarHBondContact NZ-O 3.33Å; E346-A350 WeakPolarHBondContact O-CB 3.41Å; E346-A350 PolarHBondContact O-N 3.12Å; L347-A350 WeakPolarHBondContact O-CB 3.36Å; L347-A350 PolarHBondContact O-N 3.43Å; K348-A350 VanDerWaalsContact C-N 3.31Å |
| 351 | H | 78.6 | Confident | 72.8 | Confident | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72 | -39.2 | 176.5 | -77.9 | -71.9 | 0 | 0 | 0 | 114 | L347 K348 D349 T353 E354 E355 | L347-H351 PolarHBondContact O-CD2 3.43Å; L347-H351 PolarHBondContact O-N 3.03Å; K348-H351 PolarHBondContact O-N 3.32Å; D349-H351 VanDerWaalsContact C-N 3.33Å; D349-H351 PolarHBondContact O-N 3.14Å; H351-T353 PolarHBondContact O-N 3.3Å; H351-E354 PolarHBondContact O-N 2.89Å; H351-E355 PolarHBondContact O-N 3.4Å |
| 352 | A | 77.9 | Confident | 70.1 | Confident | 52 Ų | 52 | 105.6 Ų | 105.6 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -30.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | K348 D349 E354 S356 | K348-A352 PolarHBondContact O-N 3.35Å; D349-A352 PolarHBondContact O-N 3.25Å; A352-E354 VanDerWaalsContact C-N 3.33Å; A352-S356 PolarHBondContact O-N 3.03Å |
| 353 | T | 69.3 | Low | 67.2 | Low | 64 Ų | 64 | 107.8 Ų | 107.8 | 39% | 0.393 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.3 | -40.7 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | D349 H351 S356 | D349-T353 PolarHBondContact O-N 3.48Å; D349-T353 PolarHBondContact O-OG1 2.96Å; H351-T353 PolarHBondContact O-N 3.3Å; T353-S356 PolarHBondContact O-OG 3.25Å; T353-S356 VanDerWaalsContact O-OG 3.06Å |
| 354 | E | 62 | Low | 64.7 | Low | 116 Ų | 116 | 108 Ų | 108 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.2 | -41.9 | 179.6 | -67.4 | -78 | 121 | 0 | 0 | 111.9 | H351 A352 S356 G357 | H351-E354 PolarHBondContact O-N 2.89Å; A352-E354 VanDerWaalsContact C-N 3.33Å; E354-S356 VanDerWaalsContact C-N 3.34Å; E354-S356 PolarHBondContact O-N 3.11Å; E354-G357 PolarHBondContact O-N 3.02Å |
| 355 | E | 60.2 | Low | 61.9 | Low | 149 Ų | 149 | 115.1 Ų | 115.1 | 70% | 0.696 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.2 | -30.3 | 179.5 | -67.9 | -169.7 | 162.8 | 0 | 0 | 113 | H351 G357 S359 | H351-E355 PolarHBondContact O-N 3.4Å; E355-G357 VanDerWaalsContact C-N 3.33Å; E355-G357 PolarHBondContact O-N 3.33Å; E355-S359 WeakPolarHBondContact O-CB 3.49Å; E355-S359 PolarHBondContact O-OG 3.36Å |
| 356 | S | 56.7 | Low | 59.5 | Low | 96 Ų | 96 | 119.7 Ų | 119.7 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.7 | -20.6 | -179.8 | 78.2 | 0 | 0 | 0 | 0 | 114.1 | A352 T353 E354 | A352-S356 PolarHBondContact O-N 3.03Å; T353-S356 PolarHBondContact O-OG 3.25Å; T353-S356 VanDerWaalsContact O-OG 3.06Å; E354-S356 VanDerWaalsContact C-N 3.34Å; E354-S356 PolarHBondContact O-N 3.11Å |
| 357 | G | 48.6 | Very low | 57.2 | Low | 60 Ų | 60 | 124.1 Ų | 124.1 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.5 | -34.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E354 E355 | E354-G357 PolarHBondContact O-N 3.02Å; E355-G357 VanDerWaalsContact C-N 3.33Å; E355-G357 PolarHBondContact O-N 3.33Å |
| 358 | D | 50.4 | Low | 55 | Low | 150 Ų | 150 | 125.7 Ų | 125.7 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -101.4 | -4.7 | -175.1 | -99.9 | -15.8 | 0 | 0 | 0 | 114.3 | R360 | D358-R360 PolarHBondContact O-N 2.92Å; D358-R360 VanDerWaalsContact O-N 3.12Å |
| 359 | S | 42.8 | Very low | 52.9 | Low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 6.8 | -174.3 | -67.8 | 0 | 0 | 0 | 0 | 115.6 | E355 | E355-S359 WeakPolarHBondContact O-CB 3.49Å; E355-S359 PolarHBondContact O-OG 3.36Å |
| 360 | R | 39.5 | Very low | 50.7 | Low | 250 Ų | 250 | 134.9 Ų | 134.9 | 94% | 0.943 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 2.8 | -175 | -125.5 | 178.1 | -158.7 | 169.7 | 6.6 | 116.4 | D358 | D358-R360 PolarHBondContact O-N 2.92Å; D358-R360 VanDerWaalsContact O-N 3.12Å |
| 361 | A | 37.2 | Very low | 48.5 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -148.9 | 64.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 362 | H | 38.3 | Very low | 46.6 | Very low | 197 Ų | 197 | 140 Ų | 140 | 91% | 0.912 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -168.9 | 15.2 | 151.1 | -118.1 | -73.5 | 0 | 0 | 0 | 119 | ||
| 363 | S | 35 | Very low | 44.6 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -108.7 | 80.3 | 176.6 | 175 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 364 | S | 40.6 | Very low | 43.4 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -140 | 139.2 | 157.4 | 76.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 365 | Y | 35.4 | Very low | 42.5 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 75.2 | 84.3 | 171.2 | -87.2 | -92.7 | 0 | 0 | 0 | 118.9 | ||||
| 366 | L | 41.7 | Very low | 41.7 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -145 | 95.4 | 131.1 | -79.8 | -176.1 | 0 | 0 | 0 | 109.9 | T368 | L366-T368 PolarHBondContact O-N 3.42Š| ||
| 367 | K | 41.9 | Very low | 41.3 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -71.3 | 114.8 | 166.8 | -92.6 | 175.5 | 173.2 | 169.4 | 0 | 108.8 | K369 | K367-K369 PolarHBondContact O-N 3.13Š| ||
| 368 | T | 40.8 | Very low | 41.2 | Very low | 142 Ų | 142 | 160.9 Ų | 160.9 | 87% | 0.871 | 83% | 0.833 | S | S | * | * | trans | -68.4 | 113.1 | 165.6 | 29.4 | 0 | 0 | 0 | 0 | 110.2 | L366 | L366-T368 PolarHBondContact O-N 3.42Š| ||
| 369 | K | 43.3 | Very low | 40.9 | Very low | 208 Ų | 208 | 162.9 Ų | 162.9 | 90% | 0.904 | 83% | 0.834 | S | S | * | * | trans | -117.3 | 93.3 | 161.9 | -148.7 | 178.3 | -175.5 | -176.9 | 0 | 107.7 | K367 G371 | K367-K369 PolarHBondContact O-N 3.13Å; K369-G371 PolarHBondContact O-N 2.83Å | ||
| 370 | K | 41.6 | Very low | 40.8 | Very low | 217 Ų | 217 | 164.6 Ų | 164.6 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | trans | -79.4 | 107.3 | 175 | -172.7 | 170.6 | -178.6 | 176 | 0 | 107.6 | ||||
| 371 | G | 37 | Very low | 41.3 | Very low | 66 Ų | 66 | 162 Ų | 162 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | trans | -145.2 | 103 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K369 | K369-G371 PolarHBondContact O-N 2.83Š| ||
| 372 | Q | 38.1 | Very low | 42 | Very low | 190 Ų | 190 | 164 Ų | 164 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | trans | 62.1 | 109.4 | 148.1 | -129.6 | 165.5 | 10.1 | 0 | 0 | 119.7 | ||||
| 373 | S | 36.2 | Very low | 42.7 | Very low | 111 Ų | 111 | 164.4 Ų | 164.4 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | trans | -64.6 | 129.7 | 163.7 | 51 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 374 | T | 44.5 | Very low | 43.5 | Very low | 140 Ų | 140 | 167.5 Ų | 167.5 | 86% | 0.859 | 84% | 0.841 | S | S | * | * | trans | -142.7 | 125.8 | 147 | 53 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 375 | S | 43 | Very low | 44 | Very low | 110 Ų | 110 | 169.1 Ų | 169.1 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | trans | -72.2 | 140.8 | 172.6 | 56 | 0 | 0 | 0 | 0 | 111 | ||||
| 376 | R | 43.2 | Very low | 45.1 | Very low | 242 Ų | 242 | 162.5 Ų | 162.5 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | trans | -169.7 | 112.4 | 148.9 | -105.4 | 162.4 | -169 | -148.8 | 3.8 | 111.8 | ||||
| 377 | H | 47.7 | Very low | 46.2 | Very low | 181 Ų | 181 | 160.3 Ų | 160.3 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | 15.5 | 123.1 | 147.3 | -60 | -84.4 | 0 | 0 | 0 | 120.1 | ||||
| 378 | K | 46.3 | Very low | 46.8 | Very low | 191 Ų | 191 | 158.6 Ų | 158.6 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | -178.5 | 122 | 116.2 | -111.9 | 168.2 | 174.2 | 170.7 | 0 | 114.2 | |||||
| 379 | K | 45.6 | Very low | 47.4 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 56 | 114.6 | 137.9 | -71.8 | -178.7 | 174.9 | -176.3 | 0 | 121 | ||||
| 380 | T | 39.9 | Very low | 47.8 | Very low | 138 Ų | 138 | 158.7 Ų | 158.7 | 85% | 0.847 | 85% | 0.849 | S | S | * | * | trans | -47.1 | 136.4 | 154.9 | -18.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 381 | M | 49.1 | Very low | 48.2 | Very low | 194 Ų | 194 | 155.8 Ų | 155.8 | 96% | 0.956 | 84% | 0.844 | S | S | * | * | trans | -112.4 | 115.4 | 161.7 | -112.8 | -168.9 | 173.3 | 0 | 0 | 109.4 | ||||
| 382 | V | 53.6 | Low | 48.7 | Very low | 122 Ų | 122 | 160.5 Ų | 160.5 | 74% | 0.739 | 85% | 0.853 | S | S | * | * | trans | -79.2 | 127.7 | 172.5 | 169 | 0 | 0 | 0 | 0 | 108.3 | K384 | V382-K384 PolarHBondContact O-N 3.34Š| ||
| 383 | K | 51.6 | Low | 49.3 | Very low | 207 Ų | 207 | 158.8 Ų | 158.8 | 90% | 0.9 | 85% | 0.851 | S | S | * | * | trans | -73.7 | 109.5 | 168.9 | -173.5 | 172.8 | -179.5 | 175.2 | 0 | 108.1 | ||||
| 384 | K | 52.7 | Low | 50.1 | Low | 195 Ų | 195 | 161.6 Ų | 161.6 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | trans | -105.1 | 127.4 | 171.8 | -130.7 | 178.5 | -176.2 | -178.9 | 0 | 108.8 | V382 | V382-K384 PolarHBondContact O-N 3.34Š| ||
| 385 | V | 50.7 | Low | 50.5 | Low | 138 Ų | 138 | 163 Ų | 163 | 84% | 0.836 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.9 | 173.9 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 386 | G | 58.2 | Low | 51 | Low | 61 Ų | 61 | 166.5 Ų | 166.5 | 63% | 0.629 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -98 | 141.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 387 | P | 65.4 | Low | 51.5 | Low | 131 Ų | 131 | 161.1 Ų | 161.1 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 159.1 | 177.1 | 35.5 | -31.5 | 0 | 0 | 0 | 112 | ||
| 388 | D | 53.6 | Low | 51.8 | Low | 154 Ų | 154 | 159.6 Ų | 159.6 | 82% | 0.824 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 163.3 | 171.8 | -96.8 | -45.2 | 0 | 0 | 0 | 115 | ||
| 389 | S | 54.2 | Low | 52.3 | Low | 113 Ų | 113 | 157 Ų | 157 | 79% | 0.79 | 86% | 0.861 | S | S | * | * | trans | 78.4 | 121.2 | 162.9 | -47.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 390 | D | 52.6 | Low | 52.9 | Low | 239 Ų | 239 | 153.8 Ų | 153.8 | 100% | 1.278 | 86% | 0.863 | S | S | * | * | cis | -146.2 | 0 | 29.8 | -117.8 | -27.6 | 0 | 0 | 0 | 110.1 |
Retrieved 390 of 390 residues in 197.8 ms
(Link to these results)