| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.6 | Low | 66.8 | Low | 221 Ų | 221 | 126.5 Ų | 126.5 | 100% | 1.089 | 65% | 0.645 | S | S | * | * | 0 | -34.8 | 0 | -70.4 | -166.3 | -98.6 | 0 | 0 | 114.5 | |||||
| 2 | R | 56.5 | Low | 67 | Low | 222 Ų | 222 | 124.8 Ų | 124.8 | 84% | 0.838 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.6 | -31.5 | -178.6 | -68.8 | -177.4 | 176 | 178.2 | -1.3 | 115.8 | Q5 T6 | R2-Q5 PolarHBondContact O-N 3.44Å; R2-T6 PolarHBondContact O-N 3.44Å; R2-T6 PolarHBondContact O-OG1 3.15Å |
| 3 | A | 60 | Low | 66.9 | Low | 71 Ų | 71 | 124.5 Ų | 124.5 | 59% | 0.587 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.6 | -27.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T6 L7 | A3-T6 PolarHBondContact O-OG1 3.38Å; A3-L7 PolarHBondContact O-N 3.25Å |
| 4 | L | 65.9 | Low | 66.2 | Low | 123 Ų | 123 | 125.7 Ų | 125.7 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.8 | -32.3 | 178.5 | -167.2 | 68.4 | 0 | 0 | 0 | 111.2 | L8 | L4-L8 PolarHBondContact O-N 3.18Å; L4-L8 VanDerWaalsContact O-N 3.13Å |
| 5 | Q | 67.4 | Low | 65.7 | Low | 134 Ų | 134 | 125.9 Ų | 125.9 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.5 | -36.1 | -179.6 | -148.4 | 168.5 | 3.1 | 0 | 0 | 111.6 | R2 L9 | R2-Q5 PolarHBondContact O-N 3.44Å; Q5-L9 PolarHBondContact O-N 3.2Å; Q5-L9 VanDerWaalsContact O-N 3.12Å |
| 6 | T | 70.2 | Confident | 65.2 | Low | 92 Ų | 92 | 125.6 Ų | 125.6 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.6 | -36.2 | 174.6 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | R2 A3 S10 | R2-T6 PolarHBondContact O-N 3.44Å; R2-T6 PolarHBondContact O-OG1 3.15Å; A3-T6 PolarHBondContact O-OG1 3.38Å; T6-S10 PolarHBondContact O-N 2.73Å |
| 7 | L | 72.3 | Confident | 64.5 | Low | 114 Ų | 114 | 123.1 Ų | 123.1 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.5 | -44.4 | 174.6 | -98.3 | 151.1 | 0 | 0 | 0 | 111.8 | A3 L9 S10 F11 | A3-L7 PolarHBondContact O-N 3.25Å; L7-L9 PolarHBondContact O-N 3.05Å; L7-S10 PolarHBondContact O-N 3.36Å; L7-S10 PolarHBondContact O-OG 2.94Å; L7-F11 PolarHBondContact O-N 2.59Å |
| 8 | L | 72.6 | Confident | 63.5 | Low | 106 Ų | 106 | 122.2 Ų | 122.2 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.7 | -41.5 | 176.9 | -114.6 | 123 | 0 | 0 | 0 | 112.6 | L4 F11 L12 | L4-L8 PolarHBondContact O-N 3.18Å; L4-L8 VanDerWaalsContact O-N 3.13Å; L8-F11 PolarHBondContact O-N 3.08Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.01Å |
| 9 | L | 72.6 | Confident | 62.4 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.2 | -40.2 | 175.2 | -93.6 | 147.7 | 0 | 0 | 0 | 112.2 | Q5 L7 F11 L12 L13 | Q5-L9 PolarHBondContact O-N 3.2Å; Q5-L9 VanDerWaalsContact O-N 3.12Å; L7-L9 PolarHBondContact O-N 3.05Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 2.99Å; L9-L13 PolarHBondContact O-N 3.12Å |
| 10 | S | 68.8 | Low | 61.1 | Low | 61 Ų | 61 | 131.2 Ų | 131.2 | 43% | 0.427 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -64.7 | -37.3 | 176 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | T6 L7 L13 H14 | T6-S10 PolarHBondContact O-N 2.73Å; L7-S10 PolarHBondContact O-N 3.36Å; L7-S10 PolarHBondContact O-OG 2.94Å; S10-L13 PolarHBondContact O-N 3.41Å; S10-H14 PolarHBondContact O-N 3.27Å; S10-H14 VanDerWaalsContact O-N 3.15Å |
| 11 | F | 69.8 | Low | 59.7 | Low | 144 Ų | 144 | 130.9 Ų | 130.9 | 63% | 0.632 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.3 | -38.3 | 179.7 | -147.3 | -94.1 | 0 | 0 | 0 | 111.8 | L7 L8 L9 H14 Q15 | L7-F11 PolarHBondContact O-N 2.59Å; L8-F11 PolarHBondContact O-N 3.08Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.23Å; F11-H14 PolarHBondContact O-N 3.21Å; F11-Q15 WeakPolarHBondContact O-CG 3.47Å; F11-Q15 PolarHBondContact O-N 3.01Å |
| 12 | L | 69.6 | Low | 58.2 | Low | 106 Ų | 106 | 129.2 Ų | 129.2 | 56% | 0.555 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.6 | -39.8 | 174.8 | -75.3 | 164.1 | 0 | 0 | 0 | 112 | L8 L9 H14 Q15 V16 | L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.01Å; L9-L12 PolarHBondContact O-N 2.99Å; L12-H14 VanDerWaalsContact C-N 3.34Å; L12-H14 PolarHBondContact O-N 2.97Å; L12-Q15 PolarHBondContact O-N 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.44Å; L12-V16 PolarHBondContact O-N 2.82Å |
| 13 | L | 66.1 | Low | 56.8 | Low | 121 Ų | 121 | 122.5 Ų | 122.5 | 63% | 0.634 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.8 | -36.2 | 175.5 | -82.7 | 157.4 | 0 | 0 | 0 | 112.5 | L9 S10 V16 A17 | L9-L13 PolarHBondContact O-N 3.12Å; S10-L13 PolarHBondContact O-N 3.41Å; L13-V16 PolarHBondContact O-N 2.03Å; L13-A17 PolarHBondContact O-N 3.1Å |
| 14 | H | 56.7 | Low | 55.2 | Low | 142 Ų | 142 | 123.1 Ų | 123.1 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67 | -37 | 176.2 | -117.5 | 65.9 | 0 | 0 | 0 | 113.1 | S10 F11 L12 V16 A17 C18 | S10-H14 PolarHBondContact O-N 3.27Å; S10-H14 VanDerWaalsContact O-N 3.15Å; F11-H14 PolarHBondContact O-N 3.21Å; L12-H14 VanDerWaalsContact C-N 3.34Å; L12-H14 PolarHBondContact O-N 2.97Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.37Å; H14-A17 PolarHBondContact O-N 3.19Å; H14-C18 PolarHBondContact O-N 3.37Å |
| 15 | Q | 58.3 | Low | 53.4 | Low | 129 Ų | 129 | 121.7 Ų | 121.7 | 60% | 0.603 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.4 | -29.9 | 177.5 | -73.2 | -80.7 | 3.9 | 0 | 0 | 112.8 | F11 L12 | F11-Q15 WeakPolarHBondContact O-CG 3.47Å; F11-Q15 PolarHBondContact O-N 3.01Å; L12-Q15 PolarHBondContact O-N 3.25Å |
| 16 | V | 58.3 | Low | 51.5 | Low | 121 Ų | 121 | 121.7 Ų | 121.7 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -80.4 | -31 | 177.9 | 178 | 0 | 0 | 0 | 0 | 111.8 | L12 L13 H14 | L12-V16 WeakPolarHBondContact O-CG2 3.44Å; L12-V16 PolarHBondContact O-N 2.82Å; L13-V16 PolarHBondContact O-N 2.03Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.37Å |
| 17 | A | 53.3 | Low | 49.5 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80.6 | -22.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L13 H14 | L13-A17 PolarHBondContact O-N 3.1Å; H14-A17 PolarHBondContact O-N 3.19Å |
| 18 | C | 45.8 | Very low | 47.4 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 5.9 | -178.6 | -84.7 | 0 | 0 | 0 | 0 | 115.2 | H14 | H14-C18 PolarHBondContact O-N 3.37Š|
| 19 | R | 43.3 | Very low | 45.5 | Very low | 229 Ų | 229 | 129 Ų | 129 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | trans | -105.9 | 58.5 | -176.8 | -146 | 179.9 | -171.1 | -161.4 | 2.9 | 112.8 | ||||
| 20 | K | 35.3 | Very low | 43.2 | Very low | 195 Ų | 195 | 132 Ų | 132 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -166.2 | 122 | 159 | -128.6 | 171.5 | -178.6 | 174.9 | 0 | 110 | ||||
| 21 | V | 33.5 | Very low | 41.2 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | 154.9 | 96.5 | 144.1 | 163 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 22 | H | 27.1 | Very low | 39 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | -178.5 | 97.8 | 122.3 | -94.7 | 84.9 | 0 | 0 | 0 | 108.2 | |||||
| 23 | G | 26.3 | Very low | 37 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -93 | 141.3 | 159 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 24 | G | 26.3 | Very low | 35.2 | Very low | 83 Ų | 83 | 146 Ų | 146 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -163.6 | 101.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 25 | A | 28.4 | Very low | 33.8 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 141.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 26 | T | 27.8 | Very low | 32.3 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 179.8 | 142.7 | 130.3 | 14 | 0 | 0 | 0 | 0 | 113 | ||||
| 27 | E | 27.4 | Very low | 30.9 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | 75.7 | 90.7 | 150.8 | -67.8 | -174 | 158.1 | 0 | 0 | 121.6 | ||||
| 28 | L | 29 | Very low | 29.7 | Very low | 168 Ų | 168 | 152 Ų | 152 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -49.3 | 117.5 | 143.2 | -176 | 83.9 | 0 | 0 | 0 | 111.2 | ||||
| 29 | I | 31.4 | Very low | 28.8 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 67% | 0.667 | 81% | 0.806 | S | S | * | * | trans | -118.2 | 111.4 | 163.4 | -64 | 179.5 | 0 | 0 | 0 | 108.8 | ||||
| 30 | E | 24.5 | Very low | 28 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121.6 | 173.5 | -175.3 | -177.7 | 170 | 0 | 0 | 110.1 | ||
| 31 | W | 26.9 | Very low | 27.9 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 117.8 | 170.5 | -80.4 | 81.3 | 0 | 0 | 0 | 109 | ||
| 32 | R | 24.9 | Very low | 28.1 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 122.6 | -177.1 | -170.1 | -177.9 | -140.3 | 175.5 | 6 | 110.2 | ||
| 33 | D | 26.1 | Very low | 28.1 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148 | 165.5 | -95.9 | -31 | 0 | 0 | 0 | 111.4 | ||
| 34 | S | 29.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -153.5 | 101.2 | 160.2 | -70.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 35 | D | 26.5 | Very low | 28.2 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 142 | 156.1 | -76.5 | -42.3 | 0 | 0 | 0 | 110.2 | ||||
| 36 | N | 27.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | -167.3 | 140.3 | 127.7 | -119.5 | -27.2 | 0 | 0 | 0 | 114.7 | |||||
| 37 | E | 28.5 | Very low | 28.8 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -62.6 | 176.4 | 171.1 | -53.6 | 178.6 | 84.4 | 0 | 0 | 112.1 | ||||
| 38 | Q | 28.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | cis | 179 | 152.6 | 23.6 | -139 | 162.6 | 37.8 | 0 | 0 | 107.2 | ||||
| 39 | K | 26.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 154.9 Ų | 154.9 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 165.4 | 99.5 | 132.9 | -96.1 | -179 | 176.4 | -180 | 0 | 115.6 | ||||
| 40 | I | 27.7 | Very low | 29.7 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | 33.4 | 130.2 | 117.2 | -52.8 | 167.4 | 0 | 0 | 0 | 120.5 | |||||
| 41 | S | 31.8 | Very low | 30.3 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -65.6 | 177.8 | 173.5 | 71.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 42 | P | 39.2 | Very low | 31.1 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | -155.5 | 152.7 | 84.7 | 33.8 | -10.3 | 0 | 0 | 0 | 119.7 | |||||
| 43 | T | 26.6 | Very low | 31.6 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | 61.1 | 130.5 | 135.2 | -40.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 44 | G | 26.3 | Very low | 32.6 | Very low | 67 Ų | 67 | 149.5 Ų | 149.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 166.5 | 85.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 45 | V | 28 | Very low | 33.1 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | 66.4 | 124.1 | 138.1 | -169.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 46 | R | 30.3 | Very low | 33.7 | Very low | 206 Ų | 206 | 154.3 Ų | 154.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -82.7 | 161.3 | 164 | -88.8 | 178.7 | 168.8 | 174.6 | -4.2 | 111.9 | ||||
| 47 | P | 37.8 | Very low | 33.9 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -137.6 | 161 | 107.5 | 31.9 | -16.5 | 0 | 0 | 0 | 115.6 | |||||
| 48 | R | 39.2 | Very low | 34.3 | Very low | 215 Ų | 215 | 154.3 Ų | 154.3 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 145.6 | 176.5 | -59.5 | 174.9 | 176.9 | -175.8 | -1.3 | 111 | ||||
| 49 | I | 36.1 | Very low | 34.3 | Very low | 170 Ų | 170 | 151 Ų | 151 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -139.1 | 145.9 | 155 | -60.9 | -177.6 | 0 | 0 | 0 | 109.5 | ||||
| 50 | L | 32.9 | Very low | 34.6 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -76.8 | 154.9 | -163.2 | -66.8 | 128.5 | 0 | 0 | 0 | 115.7 | ||||
| 51 | N | 35.5 | Very low | 35.1 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -60.9 | 176 | 161.7 | -134.3 | 5.8 | 0 | 0 | 0 | 110.9 | ||||
| 52 | P | 43.8 | Very low | 35 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 62% | 0.617 | 81% | 0.811 | S | S | * | * | cis | -141.5 | -175.6 | 6.1 | 36.1 | -12.7 | 0 | 0 | 0 | 114.7 | ||||
| 53 | L | 35.6 | Very low | 34.7 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | 173.5 | 113.6 | 124.1 | -87.6 | 168 | 0 | 0 | 0 | 112.9 | |||||
| 54 | R | 47.3 | Very low | 34.9 | Very low | 233 Ų | 233 | 154.1 Ų | 154.1 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 134.5 | 152.1 | -91.4 | 175.7 | 162.1 | 160 | -5.3 | 108.2 | ||||
| 55 | L | 40.7 | Very low | 35.2 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -142.3 | 99.8 | 157.2 | -73.7 | 172.8 | 0 | 0 | 0 | 110 | ||||
| 56 | F | 38.6 | Very low | 35.3 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -95.5 | 115.6 | 147 | -74.2 | -79.9 | 0 | 0 | 0 | 106.3 | ||||
| 57 | A | 31.9 | Very low | 35.4 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -160.5 | 100.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 58 | K | 35.3 | Very low | 35.4 | Very low | 214 Ų | 214 | 156.9 Ų | 156.9 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -97.1 | 115.4 | 162.9 | -159.5 | 173.3 | -176.7 | -178.9 | 0 | 106.1 | ||||
| 59 | G | 29.6 | Very low | 35.6 | Very low | 70 Ų | 70 | 155.4 Ų | 155.4 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 147.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 60 | S | 32.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 157 | 159.2 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 61 | P | 38.3 | Very low | 36.2 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 126.5 | 145.4 | 21.9 | -5.9 | 0 | 0 | 0 | 111.2 | ||
| 62 | E | 30.1 | Very low | 36.6 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 163.5 | 153.5 | -78.8 | 180 | 155.8 | 0 | 0 | 111.8 | ||
| 63 | L | 31.7 | Very low | 36.6 | Very low | 145 Ų | 145 | 157.7 Ų | 157.7 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | cis | -179.5 | 144.3 | 4.4 | 160.5 | 73.8 | 0 | 0 | 0 | 103.8 | ||||
| 64 | K | 32.1 | Very low | 37.1 | Very low | 200 Ų | 200 | 157 Ų | 157 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | 179.5 | 101.2 | 136.9 | -98.5 | 167.4 | -171.2 | -172.6 | 0 | 112.9 | ||||
| 65 | S | 32.2 | Very low | 37.1 | Very low | 88 Ų | 88 | 151.6 Ų | 151.6 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | 32.7 | 125.6 | 127.5 | -176.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 66 | N | 29.6 | Very low | 37.7 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 82.7 | 117.8 | 143.5 | -67.2 | -2.4 | 0 | 0 | 0 | 120.1 | ||||
| 67 | M | 33.3 | Very low | 38.6 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | 140 | 115.5 | 118.8 | -165.2 | 86.4 | 158.2 | 0 | 0 | 111.3 | |||||
| 68 | R | 38 | Very low | 39.8 | Very low | 216 Ų | 216 | 146.2 Ų | 146.2 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | trans | 71.4 | 95.5 | 159.2 | -73.4 | 171.3 | -177.3 | 178.4 | 1.2 | 119.4 | M70 | R68-M70 PolarHBondContact O-N 3.44Š| ||
| 69 | E | 42.1 | Very low | 40.9 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -42.7 | 117.7 | 132.7 | -174.9 | 169.7 | -160.2 | 0 | 0 | 111.1 | ||||
| 70 | M | 41.1 | Very low | 42.3 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | trans | 157.3 | 61.3 | 145.8 | -164.9 | 176.1 | -73.6 | 0 | 0 | 112.1 | R68 | R68-M70 PolarHBondContact O-N 3.44Š| ||
| 71 | T | 40.9 | Very low | 43.6 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | trans | -163 | 45.9 | 161.9 | -5.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 72 | Y | 43.8 | Very low | 44.7 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -10.7 | -176.4 | -99.8 | -89.6 | 0 | 0 | 0 | 115.8 | ||
| 73 | L | 44.4 | Very low | 45.8 | Very low | 151 Ų | 151 | 141 Ų | 141 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -23.1 | -176.3 | -67.3 | 178.4 | 0 | 0 | 0 | 114.8 | ||
| 74 | Q | 44.7 | Very low | 46.9 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -76.4 | -27.5 | -179.6 | -145.9 | 86.1 | 28.7 | 0 | 0 | 112.7 | ||
| 75 | N | 47.8 | Very low | 47.6 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.2 | -9 | -170.5 | -160.7 | 31.3 | 0 | 0 | 0 | 113.9 | F79 | N75-F79 WeakPolarHBondContact O-CB 3.37Å; N75-F79 PolarHBondContact O-N 2.95Å |
| 76 | M | 53.5 | Low | 48.5 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -81.1 | -33.9 | 176.8 | -79.8 | -162.5 | 67.4 | 0 | 0 | 112.3 | F79 W80 | M76-F79 PolarHBondContact O-N 3.03Å; M76-W80 PolarHBondContact O-N 3.14Å; M76-W80 VanDerWaalsContact O-N 3.15Å |
| 77 | E | 56.9 | Low | 49.6 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.3 | -45.2 | 177.7 | -74.3 | 166.8 | 158.7 | 0 | 0 | 110.7 | F79 W80 D81 | E77-F79 PolarHBondContact O-N 2.92Å; E77-W80 PolarHBondContact O-N 3.49Å; E77-D81 PolarHBondContact O-N 3.24Å |
| 78 | D | 57.7 | Low | 50.2 | Low | 103 Ų | 103 | 131.4 Ų | 131.4 | 55% | 0.551 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.6 | -30.9 | 174.6 | -70.9 | -23 | 0 | 0 | 0 | 113 | W82 | D78-W82 WeakPolarHBondContact O-CB 3.43Å; D78-W82 PolarHBondContact O-N 3.39Å |
| 79 | F | 58.9 | Low | 50.5 | Low | 115 Ų | 115 | 126.6 Ų | 126.6 | 50% | 0.504 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.6 | -40.6 | 176.7 | -177 | -100.4 | 0 | 0 | 0 | 112.4 | N75 M76 E77 L83 | N75-F79 WeakPolarHBondContact O-CB 3.37Å; N75-F79 PolarHBondContact O-N 2.95Å; M76-F79 PolarHBondContact O-N 3.03Å; E77-F79 PolarHBondContact O-N 2.92Å; F79-L83 HydrophobicContact CD1-CD1 3.83Å; F79-L83 HydrophobicContact CE1-CD1 3.37Å; F79-L83 HydrophobicContact CE1-CG 4.43Å; F79-L83 HydrophobicContact CZ-CD1 3.83Å; F79-L83 WeakPolarHBondContact O-CG 3.36Å; F79-L83 PolarHBondContact O-N 2.91Å |
| 80 | W | 59.4 | Low | 50.5 | Low | 158 Ų | 158 | 126 Ų | 126 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.6 | -38 | 176.2 | -72.8 | 113.6 | 0 | 0 | 0 | 111.8 | M76 E77 L83 S84 | M76-W80 PolarHBondContact O-N 3.14Å; M76-W80 VanDerWaalsContact O-N 3.15Å; E77-W80 PolarHBondContact O-N 3.49Å; W80-L83 HydrophobicContact CE3-CD1 4.09Å; W80-L83 HydrophobicContact CZ3-CD1 4.26Å; W80-L83 PolarHBondContact O-N 2.91Å; W80-S84 PolarHBondContact O-N 2.92Å; W80-S84 PolarHBondContact O-OG 2.89Å |
| 81 | D | 58.1 | Low | 50.3 | Low | 108 Ų | 108 | 120.7 Ų | 120.7 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.6 | -37.4 | 175.7 | -88.7 | -15 | 0 | 0 | 0 | 112.6 | E77 S84 N85 | E77-D81 PolarHBondContact O-N 3.24Å; D81-S84 WeakPolarHBondContact CA-OG 3.32Å; D81-S84 PolarHBondContact O-OG 3.03Å; D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.49Å; D81-N85 PolarHBondContact O-N 3.27Å |
| 82 | W | 61.5 | Low | 50.3 | Low | 150 Ų | 150 | 120.1 Ų | 120.1 | 57% | 0.568 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 172.9 | -175.9 | 85.4 | 0 | 0 | 0 | 112.5 | D78 N85 Q86 | D78-W82 WeakPolarHBondContact O-CB 3.43Å; D78-W82 PolarHBondContact O-N 3.39Å; W82-N85 PolarHBondContact O-N 2.95Å; W82-Q86 PolarHBondContact O-N 3.04Å; W82-Q86 VanDerWaalsContact O-N 3.12Å |
| 83 | L | 54.9 | Low | 50.2 | Low | 61 Ų | 61 | 119 Ų | 119 | 32% | 0.319 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.1 | -38.8 | 177 | -81.1 | 168.2 | 0 | 0 | 0 | 112.9 | F79 W80 T87 | F79-L83 HydrophobicContact CD1-CD1 3.83Å; F79-L83 HydrophobicContact CE1-CD1 3.37Å; F79-L83 HydrophobicContact CE1-CG 4.43Å; F79-L83 HydrophobicContact CZ-CD1 3.83Å; F79-L83 WeakPolarHBondContact O-CG 3.36Å; F79-L83 PolarHBondContact O-N 2.91Å; W80-L83 HydrophobicContact CE3-CD1 4.09Å; W80-L83 HydrophobicContact CZ3-CD1 4.26Å; W80-L83 PolarHBondContact O-N 2.91Å; L83-T87 PolarHBondContact O-N 3.28Å; L83-T87 PolarHBondContact O-OG1 3.15Å; L83-T87 VanDerWaalsContact O-OG1 3.1Å |
| 84 | S | 54.3 | Low | 50.1 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 42% | 0.42 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.9 | -37.3 | 174.9 | 42 | 0 | 0 | 0 | 0 | 112.2 | W80 D81 Q86 T87 | W80-S84 PolarHBondContact O-N 2.92Å; W80-S84 PolarHBondContact O-OG 2.89Å; D81-S84 WeakPolarHBondContact CA-OG 3.32Å; D81-S84 PolarHBondContact O-OG 3.03Å; S84-Q86 VanDerWaalsContact C-N 3.28Å; S84-Q86 PolarHBondContact O-N 2.8Å; S84-T87 WeakPolarHBondContact CA-OG1 3.31Å; S84-T87 PolarHBondContact O-N 2.9Å; S84-T87 PolarHBondContact O-OG1 2.89Å |
| 85 | N | 47 | Very low | 49.8 | Very low | 114 Ų | 114 | 121 Ų | 121 | 61% | 0.61 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.3 | -27.6 | 178.7 | -150.1 | -7.5 | 0 | 0 | 0 | 112.1 | D81 W82 | D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.49Å; D81-N85 PolarHBondContact O-N 3.27Å; W82-N85 PolarHBondContact O-N 2.95Å |
| 86 | Q | 51.6 | Low | 49.5 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 48% | 0.477 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.6 | -22.6 | 174.7 | -131.2 | 171.5 | 63.9 | 0 | 0 | 113.9 | W82 S84 | W82-Q86 PolarHBondContact O-N 3.04Å; W82-Q86 VanDerWaalsContact O-N 3.12Å; S84-Q86 VanDerWaalsContact C-N 3.28Å; S84-Q86 PolarHBondContact O-N 2.8Å |
| 87 | T | 50.9 | Low | 49.2 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 69% | 0.693 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.3 | -19.8 | 178.9 | 32.8 | 0 | 0 | 0 | 0 | 113.2 | L83 S84 | L83-T87 PolarHBondContact O-N 3.28Å; L83-T87 PolarHBondContact O-OG1 3.15Å; L83-T87 VanDerWaalsContact O-OG1 3.1Å; S84-T87 WeakPolarHBondContact CA-OG1 3.31Å; S84-T87 PolarHBondContact O-N 2.9Å; S84-T87 PolarHBondContact O-OG1 2.89Å |
| 88 | D | 46.9 | Very low | 48.7 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -100.1 | -9.2 | -174.6 | -140.2 | 9 | 0 | 0 | 0 | 114.6 | ||
| 89 | V | 44.9 | Very low | 48.7 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -101.8 | -5.1 | 179.3 | -173.6 | 0 | 0 | 0 | 0 | 113.3 | G91 | V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 2.75Å |
| 90 | Q | 40.8 | Very low | 48.2 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | trans | -92.2 | 61.4 | 167.8 | -79.1 | 178.8 | -7.9 | 0 | 0 | 111.4 | A92 | Q90-A92 PolarHBondContact O-N 3.35Š| ||
| 91 | G | 38.3 | Very low | 48 | Very low | 61 Ų | 61 | 136.6 Ų | 136.6 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | -52.9 | 130.9 | 162 | 0 | 0 | 0 | 0 | 0 | 111.3 | V89 Q93 | V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 2.75Å; G91-Q93 PolarHBondContact O-N 2.85Å | ||
| 92 | A | 40.2 | Very low | 47.9 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | trans | 53 | 56.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q90 | Q90-A92 PolarHBondContact O-N 3.35Š| ||
| 93 | Q | 41.5 | Very low | 47.4 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | trans | -108.4 | 84 | 147.9 | -72.5 | -77.9 | -42.4 | 0 | 0 | 107.1 | G91 R95 | G91-Q93 PolarHBondContact O-N 2.85Å; Q93-R95 VanDerWaalsContact C-N 3.29Å; Q93-R95 PolarHBondContact O-N 2.88Å | ||
| 94 | A | 41.3 | Very low | 47.3 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | trans | -50.7 | 100 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | T96 | A94-T96 PolarHBondContact O-N 3.39Š| ||
| 95 | R | 38.9 | Very low | 47.1 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 76% | 0.755 | S | S | * | * | trans | -61.9 | 94.3 | 174.7 | -156.6 | 178.5 | -167.5 | 173.5 | 4.4 | 105.1 | Q93 K97 | Q93-R95 VanDerWaalsContact C-N 3.29Å; Q93-R95 PolarHBondContact O-N 2.88Å; R95-K97 VanDerWaalsContact C-N 3.34Å; R95-K97 PolarHBondContact O-N 3.21Å | ||
| 96 | T | 42.4 | Very low | 47.2 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -52.3 | 105.2 | 174.3 | 6.5 | 0 | 0 | 0 | 0 | 104.9 | A94 R98 | A94-T96 PolarHBondContact O-N 3.39Å; T96-R98 VanDerWaalsContact C-N 3.3Å; T96-R98 PolarHBondContact O-N 3.26Å | ||
| 97 | K | 45.9 | Very low | 47 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -51.8 | 105.1 | 170.4 | -79.6 | -176.8 | 176.5 | 179.6 | 0 | 104.7 | R95 R99 | R95-K97 VanDerWaalsContact C-N 3.34Å; R95-K97 PolarHBondContact O-N 3.21Å; K97-R99 PolarHBondContact O-N 3.32Å | ||
| 98 | R | 47.5 | Very low | 47.2 | Very low | 242 Ų | 242 | 152.1 Ų | 152.1 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | -57.4 | 107 | 177.1 | -78.9 | -176.1 | 176.9 | 178.9 | -0.9 | 105.4 | T96 | T96-R98 VanDerWaalsContact C-N 3.3Å; T96-R98 PolarHBondContact O-N 3.26Å | ||
| 99 | R | 58 | Low | 47.7 | Very low | 218 Ų | 218 | 151.7 Ų | 151.7 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | trans | -49.8 | 139.4 | 165.8 | -62.3 | 178.1 | -178.5 | -176.2 | -0.9 | 106.5 | K97 I101 | K97-R99 PolarHBondContact O-N 3.32Å; R99-I101 PolarHBondContact O-N 2.95Å | ||
| 100 | P | 47.2 | Very low | 48.4 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -54.3 | 117.8 | 167.8 | -16 | 26.7 | 0 | 0 | 0 | 107.1 | V102 | P100-V102 VanDerWaalsContact C-N 3.31Å; P100-V102 PolarHBondContact O-N 2.8Å | ||
| 101 | I | 55 | Low | 49.6 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 80% | 0.795 | 72% | 0.723 | S | S | * | * | trans | -64.5 | 100.1 | 171.6 | -78 | 163.9 | 0 | 0 | 0 | 105.8 | R99 K103 | R99-I101 PolarHBondContact O-N 2.95Å; I101-K103 VanDerWaalsContact C-N 3.31Å; I101-K103 HydrophobicContact CG2-CG 4.37Å; I101-K103 PolarHBondContact O-N 2.87Å | ||
| 102 | V | 57.9 | Low | 50.8 | Low | 76 Ų | 76 | 141.4 Ų | 141.4 | 46% | 0.461 | 72% | 0.72 | S | S | . | * | trans | -67.8 | 100 | 162.9 | -178.9 | 0 | 0 | 0 | 0 | 104.5 | P100 T104 Y253 | P100-V102 VanDerWaalsContact C-N 3.31Å; P100-V102 PolarHBondContact O-N 2.8Å; V102-T104 PolarHBondContact O-N 2.83Å; V102-Y253 HydrophobicContact CG2-CE2 4.06Å | ||
| 103 | K | 50.7 | Low | 52.2 | Low | 183 Ų | 183 | 138.3 Ų | 138.3 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | trans | -51.6 | 105 | 179.7 | -69.4 | -179.4 | 178.4 | 178.2 | 0 | 109 | I101 G105 | I101-K103 VanDerWaalsContact C-N 3.31Å; I101-K103 HydrophobicContact CG2-CG 4.37Å; I101-K103 PolarHBondContact O-N 2.87Å; K103-G105 PolarHBondContact O-N 2.85Å | ||
| 104 | T | 52.7 | Low | 53.7 | Low | 147 Ų | 147 | 131 Ų | 131 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 117.1 | 165.6 | 22.2 | 0 | 0 | 0 | 0 | 107.7 | V102 | V102-T104 PolarHBondContact O-N 2.83Š|
| 105 | G | 48.9 | Very low | 55.9 | Low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146 | 3.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | K103 | K103-G105 PolarHBondContact O-N 2.85Š|
| 106 | K | 49 | Very low | 58.4 | Low | 194 Ų | 194 | 123 Ų | 123 | 84% | 0.843 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -143.7 | 142.5 | 165.3 | -63.4 | -167.8 | 178 | -172.3 | 0 | 107.4 | K108 | K106-K108 PolarHBondContact O-N 2.84Š|
| 107 | F | 47.9 | Very low | 60.8 | Low | 214 Ų | 214 | 123 Ų | 123 | 94% | 0.939 | 61% | 0.613 | S | S | * | * | trans | -18.7 | 105.3 | 179.1 | -112.2 | -102 | 0 | 0 | 0 | 112.4 | K109 | F107-K109 VanDerWaalsContact C-N 3.3Å; F107-K109 PolarHBondContact O-N 3.02Å | ||
| 108 | K | 55.7 | Low | 63.2 | Low | 146 Ų | 146 | 114.3 Ų | 114.3 | 64% | 0.635 | 58% | 0.577 | S | S | * | * | trans | -66.9 | 94.2 | 179.6 | -179.2 | -178.5 | 178.2 | -179.6 | 0 | 106.9 | K106 M110 | K106-K108 PolarHBondContact O-N 2.84Å; K108-M110 VanDerWaalsContact O-CG 3.31Å; K108-M110 WeakPolarHBondContact O-CG 3.08Å; K108-M110 PolarHBondContact O-N 2.96Å | ||
| 109 | K | 57.3 | Low | 65.5 | Low | 134 Ų | 134 | 106.9 Ų | 106.9 | 58% | 0.583 | 56% | 0.556 | S | S | * | * | trans | -54.2 | 107.3 | 171 | -164.2 | -165.7 | -179.3 | -168.5 | 0 | 106.4 | F107 F111 G112 | F107-K109 VanDerWaalsContact C-N 3.3Å; F107-K109 PolarHBondContact O-N 3.02Å; K109-F111 WeakPolarHBondContact CD-O 3.28Å; K109-F111 WeakPolarHBondContact CE-O 3.36Å; K109-F111 VanDerWaalsContact CG-O 3.24Å; K109-F111 WeakPolarHBondContact CG-O 3.44Å; K109-F111 PolarHBondContact O-N 2.79Å; K109-G112 PolarHBondContact NZ-O 2.9Å | ||
| 110 | M | 58.8 | Low | 67.3 | Low | 54 Ų | 54 | 97.4 Ų | 97.4 | 27% | 0.266 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -77 | -16.4 | -172.2 | -63.2 | -172.8 | -55.8 | 0 | 0 | 112.5 | K108 D135 K225 | K108-M110 VanDerWaalsContact O-CG 3.31Å; K108-M110 WeakPolarHBondContact O-CG 3.08Å; K108-M110 PolarHBondContact O-N 2.96Å; M110-D135 VanDerWaalsContact CE-CG 3.46Å; M110-D135 WeakPolarHBondContact CE-OD2 3.34Å; M110-K225 WeakPolarHBondContact SD-CE 3.09Å; M110-K225 PolarHBondContact SD-NZ 2.83Å |
| 111 | F | 66.4 | Low | 69.6 | Low | 25 Ų | 25 | 99.1 Ų | 99.1 | 11% | 0.11 | 52% | 0.516 | C | S | . | . | trans | -121.7 | 124.1 | 176.6 | -65.7 | -76.3 | 0 | 0 | 0 | 109.6 | K109 W113 I133 F141 D250 | K109-F111 WeakPolarHBondContact CD-O 3.28Å; K109-F111 WeakPolarHBondContact CE-O 3.36Å; K109-F111 VanDerWaalsContact CG-O 3.24Å; K109-F111 WeakPolarHBondContact CG-O 3.44Å; K109-F111 PolarHBondContact O-N 2.79Å; F111-W113 AromaticContact CD1-NE1 3.84Å; F111-W113 PolarHBondContact O-N 2.93Å; F111-I133 HydrophobicContact CB-CD1 4.05Å; F111-I133 HydrophobicContact CB-CG2 4.45Å; F111-I133 HydrophobicContact CD1-CD1 3.66Å; F111-I133 HydrophobicContact CD2-CD1 3.4Å; F111-I133 HydrophobicContact CD2-CG1 4.2Å; F111-I133 HydrophobicContact CE1-CD1 3.97Å; F111-I133 HydrophobicContact CE2-CD1 3.74Å; F111-I133 HydrophobicContact CG-CD1 3.38Å; F111-I133 HydrophobicContact CG-CG1 4.45Å; F111-I133 HydrophobicContact CZ-CD1 4.04Å; F111-F141 HydrophobicContact CE1-CE1 4.03Å; F111-F141 HydrophobicContact CE1-CZ 4.1Å; F111-F141 HydrophobicContact CE2-CB 4.39Å; F111-F141 AromaticContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD2 4.46Å; F111-F141 AromaticContact CE2-CE1 3.86Å; F111-F141 HydrophobicContact CE2-CE1 3.86Å; F111-F141 AromaticContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CZ 4.45Å; F111-F141 AromaticContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD1 3.45Å; F111-F141 VanDerWaalsContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD2 4.41Å; F111-F141 AromaticContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE2 4.25Å; F111-F141 HydrophobicContact CZ-CG 4.07Å; F111-F141 AromaticContact CZ-CZ 3.67Å; F111-F141 HydrophobicContact CZ-CZ 3.67Å; F111-D250 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 112 | G | 63.3 | Low | 71.6 | Confident | 54 Ų | 54 | 93 Ų | 93 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -65.8 | -24.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K109 D250 | K109-G112 PolarHBondContact NZ-O 2.9Å; G112-D250 VanDerWaalsContact CA-OD1 3.3Å; G112-D250 WeakPolarHBondContact CA-OD1 3.25Å; G112-D250 PolarHBondContact N-OD1 3.23Å; G112-D250 PolarHBondContact N-OD2 3.34Å |
| 113 | W | 69.6 | Low | 73.2 | Confident | 31 Ų | 31 | 95.6 Ų | 95.6 | 12% | 0.117 | 50% | 0.502 | C | S | . | . | trans | -104.9 | 133.3 | -173.6 | 46.5 | -58 | 0 | 0 | 0 | 109.5 | F111 I133 I230 I232 P249 D250 | F111-W113 AromaticContact CD1-NE1 3.84Å; F111-W113 PolarHBondContact O-N 2.93Å; W113-I133 WeakPolarHBondContact O-CG2 3.39Å; W113-I230 HydrophobicContact CH2-CD1 3.65Å; W113-I230 HydrophobicContact CH2-CG1 3.76Å; W113-I230 HydrophobicContact CZ2-CD1 3.66Å; W113-I230 HydrophobicContact CZ2-CG1 3.48Å; W113-I230 VanDerWaalsContact CZ2-CG1 3.48Å; W113-I232 HydrophobicContact CE3-CD1 4.47Å; W113-I232 HydrophobicContact CH2-CD1 4.39Å; W113-I232 HydrophobicContact CH2-CG1 4.23Å; W113-I232 HydrophobicContact CZ3-CD1 3.71Å; W113-I232 HydrophobicContact CZ3-CG1 4.04Å; W113-P249 HydrophobicContact CB-CB 3.88Å; W113-P249 HydrophobicContact CD2-CB 3.58Å; W113-P249 HydrophobicContact CD2-CG 3.54Å; W113-P249 HydrophobicContact CE3-CB 4.18Å; W113-P249 HydrophobicContact CE3-CG 3.64Å; W113-P249 HydrophobicContact CG-CB 3.43Å; W113-P249 VanDerWaalsContact CG-CB 3.43Å; W113-P249 HydrophobicContact CG-CG 3.96Å; W113-P249 HydrophobicContact CH2-CG 4.21Å; W113-P249 HydrophobicContact CZ2-CG 4.14Å; W113-P249 HydrophobicContact CZ3-CG 3.99Å; W113-D250 VanDerWaalsContact NE1-CG 3.27Å; W113-D250 PolarHBondContact NE1-OD2 3.03Å | ||
| 114 | G | 73.1 | Confident | 75.1 | Confident | 30 Ų | 30 | 92 Ų | 92 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -104.4 | -62.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I133 | G114-I133 PolarHBondContact O-N 2.89Š|
| 115 | D | 86.9 | Confident | 77.1 | Confident | 132 Ų | 132 | 85.1 Ų | 85.1 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.6 | 179.9 | -56.4 | -39.9 | 0 | 0 | 0 | 109.4 | G131 | D115-G131 CarbonylContact C-O 3.6Å; D115-G131 WeakPolarHBondContact CA-O 3.4Å |
| 116 | F | 92.1 | Very high | 79.4 | Confident | 27 Ų | 27 | 84.2 Ų | 84.2 | 12% | 0.118 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 137 | 173.7 | 175.1 | -102.3 | 0 | 0 | 0 | 109.3 | I129 T130 G131 F145 I232 I234 V247 | F116-I129 HydrophobicContact CD1-CG2 4.21Å; F116-I129 HydrophobicContact CE1-CB 4.43Å; F116-I129 HydrophobicContact CE1-CG2 3.93Å; F116-T130 CarbonylContact O-C 3.51Å; F116-T130 WeakPolarHBondContact O-CA 3.2Å; F116-G131 PolarHBondContact N-O 3.22Å; F116-G131 PolarHBondContact O-N 2.84Å; F116-F145 HydrophobicContact CD1-CE1 4.37Å; F116-I232 HydrophobicContact CB-CD1 4.11Å; F116-I232 HydrophobicContact CD1-CD1 3.71Å; F116-I232 HydrophobicContact CD2-CD1 3.42Å; F116-I232 VanDerWaalsContact CD2-CD1 3.42Å; F116-I232 HydrophobicContact CE1-CD1 3.91Å; F116-I232 HydrophobicContact CE1-CG2 4.3Å; F116-I232 HydrophobicContact CE2-CD1 3.64Å; F116-I232 HydrophobicContact CG-CD1 3.45Å; F116-I232 VanDerWaalsContact CG-CD1 3.45Å; F116-I232 HydrophobicContact CZ-CD1 3.88Å; F116-I232 HydrophobicContact CZ-CG2 4.47Å; F116-I234 HydrophobicContact CE1-CD1 4.2Å; F116-I234 HydrophobicContact CZ-CD1 3.9Å; F116-V247 HydrophobicContact CE2-CG1 4.3Å; F116-V247 HydrophobicContact CE2-CG2 4.49Å |
| 117 | H | 93.8 | Very high | 81.7 | Confident | 128 Ų | 128 | 75 Ų | 75 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 129.2 | 176.9 | 176.5 | -88.2 | 0 | 0 | 0 | 109.7 | L128 I129 | H117-L128 VanDerWaalsContact NE2-CD1 3.35Å; H117-L128 WeakPolarHBondContact NE2-CD1 3.46Å; H117-I129 WeakPolarHBondContact CA-O 3.22Å |
| 118 | S | 95.5 | Very high | 84 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 11% | 0.112 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.8 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | I129 | S118-I129 PolarHBondContact N-O 3.08Å; S118-I129 PolarHBondContact O-N 2.96Å |
| 119 | N | 96.1 | Very high | 86 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.7 | 174.8 | -175.3 | -70.8 | 0 | 0 | 0 | 108.8 | L127 L128 | N119-L127 WeakPolarHBondContact CA-O 3.38Å; N119-L128 HydrophobicContact CB-CD1 4.42Å |
| 120 | I | 96.3 | Very high | 87.9 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.1 | 176 | -60.1 | 160.2 | 0 | 0 | 0 | 106.9 | L127 I234 F236 L243 | I120-L127 HydrophobicContact CB-CB 4.45Å; I120-L127 HydrophobicContact CD1-CD2 4.33Å; I120-L127 PolarHBondContact N-O 2.71Å; I120-L127 PolarHBondContact O-N 3.01Å; I120-I234 HydrophobicContact CD1-CG2 3.85Å; I120-F236 HydrophobicContact CB-CD2 4.12Å; I120-F236 HydrophobicContact CB-CE2 4.27Å; I120-F236 HydrophobicContact CD1-CB 4.45Å; I120-F236 HydrophobicContact CG2-CB 4.48Å; I120-F236 HydrophobicContact CG2-CD1 4.06Å; I120-F236 HydrophobicContact CG2-CD2 3.7Å; I120-F236 HydrophobicContact CG2-CE1 4.17Å; I120-F236 HydrophobicContact CG2-CE2 3.79Å; I120-F236 HydrophobicContact CG2-CG 3.83Å; I120-F236 HydrophobicContact CG2-CZ 4.02Å; I120-L243 HydrophobicContact CD1-CD2 3.9Å |
| 121 | K | 95.7 | Very high | 89.6 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 67% | 0.67 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128 | -173.7 | -173.9 | 178.6 | 179 | -176.5 | 0 | 111.2 | N126 | K121-N126 HydrophobicContact CG-CB 4.34Å |
| 122 | T | 95 | Very high | 90.8 | Very high | 28 Ų | 28 | 59 Ų | 59 | 17% | 0.172 | 32% | 0.32 | C | S | . | . | trans | -118.6 | -176.4 | 167.7 | 74.3 | 0 | 0 | 0 | 0 | 110 | K124 L125 F236 D240 Y241 | T122-K124 PolarHBondContact OG1-N 2.85Å; T122-L125 PolarHBondContact N-O 2.83Å; T122-L125 PolarHBondContact OG1-N 3.36Å; T122-L125 PolarHBondContact OG1-O 2.77Å; T122-F236 HydrophobicContact CG2-CE1 3.56Å; T122-F236 HydrophobicContact CG2-CZ 3.72Å; T122-D240 WeakPolarHBondContact CB-OD1 3.15Å; T122-D240 VanDerWaalsContact CB-OD2 3.28Å; T122-D240 WeakPolarHBondContact CB-OD2 3.38Å; T122-D240 PolarHBondContact OG1-OD1 3.31Å; T122-D240 PolarHBondContact OG1-OD2 2.95Å; T122-Y241 HydrophobicContact CG2-CD2 3.95Å; T122-Y241 HydrophobicContact CG2-CG 4.39Å | ||
| 123 | V | 91.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 57.7 Ų | 57.7 | 79% | 0.788 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -69.1 | -30.8 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | D240 | V123-D240 PolarHBondContact N-OD2 3.07Š|
| 124 | K | 91.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -105.6 | -18.2 | -171.6 | -61.1 | -64.2 | -173.6 | -178.6 | 0 | 114.5 | T122 G151 M152 V239 D240 | T122-K124 PolarHBondContact OG1-N 2.85Å; K124-G151 CarbonylContact O-C 3.47Å; K124-G151 WeakPolarHBondContact O-CA 3.34Å; K124-M152 PolarHBondContact O-N 3.47Å; K124-V239 HydrophobicContact CB-CG2 3.5Å; K124-V239 HydrophobicContact CD-CG2 4.37Å; K124-V239 HydrophobicContact CG-CG2 3.58Å; K124-D240 HydrophobicContact CG-CB 4.37Å; K124-D240 PolarHBondContact N-OD2 3.05Å |
| 125 | L | 94.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 134 | -179.7 | -175.8 | 65.3 | 0 | 0 | 0 | 111.2 | T122 V155 F236 S238 | T122-L125 PolarHBondContact N-O 2.83Å; T122-L125 PolarHBondContact OG1-N 3.36Å; T122-L125 PolarHBondContact OG1-O 2.77Å; L125-V155 HydrophobicContact CD2-CG1 3.92Å; L125-F236 HydrophobicContact CB-CE2 4.11Å; L125-F236 HydrophobicContact CB-CZ 3.69Å; L125-F236 HydrophobicContact CD2-CD2 4.03Å; L125-F236 HydrophobicContact CD2-CE1 4.23Å; L125-F236 HydrophobicContact CD2-CE2 3.5Å; L125-F236 VanDerWaalsContact CD2-CE2 3.5Å; L125-F236 HydrophobicContact CD2-CZ 3.62Å; L125-F236 HydrophobicContact CG-CE2 3.62Å; L125-F236 HydrophobicContact CG-CZ 3.73Å; L125-S238 VanDerWaalsContact CB-OG 3.22Å; L125-S238 WeakPolarHBondContact CB-OG 3.23Å |
| 126 | N | 96.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.7 | 171.7 | -176.9 | 21.3 | 0 | 0 | 0 | 108.8 | K121 S149 T150 | K121-N126 HydrophobicContact CG-CB 4.34Å; N126-S149 CarbonylContact O-C 3.56Å; N126-S149 WeakPolarHBondContact O-CA 3.18Å; N126-T150 PolarHBondContact N-O 2.75Å; N126-T150 PolarHBondContact O-N 2.8Å |
| 127 | L | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.2 | 178.7 | 173.9 | 61.2 | 0 | 0 | 0 | 109.4 | N119 I120 I129 H147 V155 I234 F236 | N119-L127 WeakPolarHBondContact CA-O 3.38Å; I120-L127 HydrophobicContact CB-CB 4.45Å; I120-L127 HydrophobicContact CD1-CD2 4.33Å; I120-L127 PolarHBondContact N-O 2.71Å; I120-L127 PolarHBondContact O-N 3.01Å; L127-I129 HydrophobicContact CD1-CD1 4.49Å; L127-I129 HydrophobicContact CD1-CG1 3.95Å; L127-I129 HydrophobicContact CD2-CD1 3.86Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.11Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; L127-H147 HydrophobicContact CD1-CB 4.1Å; L127-V155 HydrophobicContact CB-CG1 4.4Å; L127-V155 HydrophobicContact CD1-CB 4.12Å; L127-V155 HydrophobicContact CD1-CG1 4.1Å; L127-V155 HydrophobicContact CD1-CG2 4.11Å; L127-V155 HydrophobicContact CD2-CB 4.03Å; L127-V155 HydrophobicContact CD2-CG1 3.83Å; L127-V155 HydrophobicContact CG-CG1 4.34Å; L127-I234 HydrophobicContact CD2-CG2 4.22Å; L127-F236 HydrophobicContact CB-CD2 3.86Å; L127-F236 HydrophobicContact CB-CE2 3.82Å; L127-F236 HydrophobicContact CD2-CD2 3.79Å; L127-F236 HydrophobicContact CG-CD2 4.49Å |
| 128 | L | 97.3 | Very high | 93.3 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.4 | 172.1 | -179.8 | 68.4 | 0 | 0 | 0 | 109 | H117 N119 H147 N148 | H117-L128 VanDerWaalsContact NE2-CD1 3.35Å; H117-L128 WeakPolarHBondContact NE2-CD1 3.46Å; N119-L128 HydrophobicContact CB-CD1 4.42Å; L128-H147 CarbonylContact O-C 3.52Å; L128-H147 WeakPolarHBondContact O-CA 3.27Å; L128-N148 PolarHBondContact N-O 2.85Å; L128-N148 PolarHBondContact O-N 2.94Å |
| 129 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.2 | 178.7 | -55.5 | 160.8 | 0 | 0 | 0 | 108.7 | F116 H117 S118 L127 F145 H147 V157 I234 | F116-I129 HydrophobicContact CD1-CG2 4.21Å; F116-I129 HydrophobicContact CE1-CB 4.43Å; F116-I129 HydrophobicContact CE1-CG2 3.93Å; H117-I129 WeakPolarHBondContact CA-O 3.22Å; S118-I129 PolarHBondContact N-O 3.08Å; S118-I129 PolarHBondContact O-N 2.96Å; L127-I129 HydrophobicContact CD1-CD1 4.49Å; L127-I129 HydrophobicContact CD1-CG1 3.95Å; L127-I129 HydrophobicContact CD2-CD1 3.86Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.11Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; I129-F145 HydrophobicContact CG2-CD1 4.3Å; I129-H147 HydrophobicContact CB-CB 4.45Å; I129-H147 HydrophobicContact CG1-CB 3.9Å; I129-V157 HydrophobicContact CD1-CG2 3.56Å; I129-V157 HydrophobicContact CG1-CG2 3.92Å; I129-V157 HydrophobicContact CG2-CG1 4.35Å; I129-V157 HydrophobicContact CG2-CG2 4.36Å; I129-I234 HydrophobicContact CD1-CB 4.45Å; I129-I234 HydrophobicContact CD1-CD1 3.65Å; I129-I234 HydrophobicContact CD1-CG1 3.86Å; I129-I234 HydrophobicContact CD1-CG2 3.73Å |
| 130 | T | 96.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 57 Ų | 57 | 34% | 0.344 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.7 | 168.8 | 52.6 | 0 | 0 | 0 | 0 | 108.6 | F116 F145 R146 | F116-T130 CarbonylContact O-C 3.51Å; F116-T130 WeakPolarHBondContact O-CA 3.2Å; T130-F145 WeakPolarHBondContact O-CA 3.35Å; T130-R146 PolarHBondContact N-O 2.94Å; T130-R146 PolarHBondContact O-N 2.83Å; T130-R146 WeakPolarHBondContact OG1-CB 3.33Å; T130-R146 PolarHBondContact OG1-O 2.98Å; T130-R146 VanDerWaalsContact OG1-O 3.08Å |
| 131 | G | 94.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | D115 F116 Y144 | D115-G131 CarbonylContact C-O 3.6Å; D115-G131 WeakPolarHBondContact CA-O 3.4Å; F116-G131 PolarHBondContact N-O 3.22Å; F116-G131 PolarHBondContact O-N 2.84Å; G131-Y144 CarbonylContact C-O 3.58Å; G131-Y144 WeakPolarHBondContact CA-O 3.32Å |
| 132 | K | 92.5 | Very high | 92.1 | Very high | 115 Ų | 115 | 48.8 Ų | 48.8 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 135.6 | 174.7 | -178 | 176.6 | 180 | 178.5 | 0 | 110.3 | V134 V143 Y144 | K132-V134 HydrophobicContact CG-CG2 4.43Å; K132-V143 WeakPolarHBondContact O-CA 3.05Å; K132-Y144 PolarHBondContact N-O 2.94Å; K132-Y144 PolarHBondContact O-N 2.84Å |
| 133 | I | 90.3 | Very high | 92.1 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 14% | 0.138 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137.9 | 173.3 | -169.5 | 156.7 | 0 | 0 | 0 | 111.3 | F111 W113 G114 F141 S142 V143 | F111-I133 HydrophobicContact CB-CD1 4.05Å; F111-I133 HydrophobicContact CB-CG2 4.45Å; F111-I133 HydrophobicContact CD1-CD1 3.66Å; F111-I133 HydrophobicContact CD2-CD1 3.4Å; F111-I133 HydrophobicContact CD2-CG1 4.2Å; F111-I133 HydrophobicContact CE1-CD1 3.97Å; F111-I133 HydrophobicContact CE2-CD1 3.74Å; F111-I133 HydrophobicContact CG-CD1 3.38Å; F111-I133 HydrophobicContact CG-CG1 4.45Å; F111-I133 HydrophobicContact CZ-CD1 4.04Å; W113-I133 WeakPolarHBondContact O-CG2 3.39Å; G114-I133 PolarHBondContact O-N 2.89Å; I133-F141 HydrophobicContact CD1-CD2 3.68Å; I133-F141 HydrophobicContact CD1-CE2 3.91Å; I133-F141 HydrophobicContact CD1-CG 4.29Å; I133-F141 HydrophobicContact CG1-CD2 3.98Å; I133-S142 WeakPolarHBondContact CA-O 3.33Å; I133-V143 HydrophobicContact CD1-CG2 4.22Å; I133-V143 HydrophobicContact CG1-CG2 4.27Å |
| 134 | V | 89.8 | Confident | 92.2 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118.8 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | K132 F141 S142 Y144 | K132-V134 HydrophobicContact CG-CG2 4.43Å; V134-F141 CarbonylContact O-C 3.55Å; V134-F141 VanDerWaalsContact O-CA 3.25Å; V134-F141 WeakPolarHBondContact O-CA 3.4Å; V134-F141 VanDerWaalsContact O-CB 3.32Å; V134-F141 WeakPolarHBondContact O-CB 3.34Å; V134-S142 PolarHBondContact N-O 3.28Å; V134-S142 PolarHBondContact O-N 3.33Å; V134-Y144 HydrophobicContact CB-CE2 4.08Å; V134-Y144 HydrophobicContact CG2-CD2 4.07Å; V134-Y144 HydrophobicContact CG2-CE2 3.7Å |
| 135 | D | 88.4 | Confident | 92.5 | Very high | 75 Ų | 75 | 41 Ų | 41 | 40% | 0.401 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 128 | 172.7 | -178 | 16 | 0 | 0 | 0 | 109.5 | M110 G137 | M110-D135 VanDerWaalsContact CE-CG 3.46Å; M110-D135 WeakPolarHBondContact CE-OD2 3.34Å; D135-G137 PolarHBondContact OD1-N 2.85Å; D135-G137 VanDerWaalsContact OD1-N 3.07Å |
| 136 | H | 88.9 | Confident | 92.6 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | trans | -86.4 | -11.3 | -179.5 | -61.6 | -64.7 | 0 | 0 | 0 | 112.4 | N138 T140 S142 | H136-N138 VanDerWaalsContact CB-OD1 3.31Å; H136-N138 WeakPolarHBondContact CB-OD1 3.37Å; H136-N138 PolarHBondContact O-N 2.78Å; H136-T140 WeakPolarHBondContact CB-O 3.46Å; H136-T140 PolarHBondContact CD2-OG1 2.98Å; H136-T140 VanDerWaalsContact CD2-OG1 3.31Å; H136-T140 PolarHBondContact N-O 2.03Å; H136-T140 VanDerWaalsContact N-O 3.11Å; H136-S142 WeakPolarHBondContact NE2-CB 3.19Å; H136-S142 PolarHBondContact NE2-N 3.24Å; H136-S142 PolarHBondContact NE2-OG 2.78Å | ||
| 137 | G | 86.1 | Confident | 92.6 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 67% | 0.67 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 74 | -11.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | D135 G139 | D135-G137 PolarHBondContact OD1-N 2.85Å; D135-G137 VanDerWaalsContact OD1-N 3.07Å; G137-G139 VanDerWaalsContact C-N 3.29Å |
| 138 | N | 87.8 | Confident | 92.5 | Very high | 117 Ų | 117 | 45.8 Ų | 45.8 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -87.3 | 6.9 | 174.5 | 65.3 | 0.1 | 0 | 0 | 0 | 113.3 | H136 T140 | H136-N138 VanDerWaalsContact CB-OD1 3.31Å; H136-N138 WeakPolarHBondContact CB-OD1 3.37Å; H136-N138 PolarHBondContact O-N 2.78Å; N138-T140 PolarHBondContact OD1-N 3.31Å; N138-T140 PolarHBondContact OD1-OG1 3.13Å |
| 139 | G | 85.8 | Confident | 92.5 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 94.9 | -0.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G137 K225 | G137-G139 VanDerWaalsContact C-N 3.29Å; G139-K225 VanDerWaalsContact O-CB 3.28Å; G139-K225 WeakPolarHBondContact O-CB 3.28Å; G139-K225 VanDerWaalsContact O-CG 3.23Å; G139-K225 WeakPolarHBondContact O-CG 3.01Å; G139-K225 PolarHBondContact O-N 2.56Å |
| 140 | T | 89.8 | Confident | 92.4 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 160.1 | 169.1 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | H136 N138 C223 | H136-T140 WeakPolarHBondContact CB-O 3.46Å; H136-T140 PolarHBondContact CD2-OG1 2.98Å; H136-T140 VanDerWaalsContact CD2-OG1 3.31Å; H136-T140 PolarHBondContact N-O 2.03Å; H136-T140 VanDerWaalsContact N-O 3.11Å; N138-T140 PolarHBondContact OD1-N 3.31Å; N138-T140 PolarHBondContact OD1-OG1 3.13Å; T140-C223 CarbonylContact C-O 3.55Å; T140-C223 WeakPolarHBondContact CA-O 3.47Å; T140-C223 WeakPolarHBondContact CB-O 3.33Å |
| 141 | F | 90.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.1 | 169.3 | 66.5 | -99 | 0 | 0 | 0 | 109.4 | F111 I133 V134 V143 C223 F227 I230 | F111-F141 HydrophobicContact CE1-CE1 4.03Å; F111-F141 HydrophobicContact CE1-CZ 4.1Å; F111-F141 HydrophobicContact CE2-CB 4.39Å; F111-F141 AromaticContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD2 4.46Å; F111-F141 AromaticContact CE2-CE1 3.86Å; F111-F141 HydrophobicContact CE2-CE1 3.86Å; F111-F141 AromaticContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CZ 4.45Å; F111-F141 AromaticContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD1 3.45Å; F111-F141 VanDerWaalsContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD2 4.41Å; F111-F141 AromaticContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE2 4.25Å; F111-F141 HydrophobicContact CZ-CG 4.07Å; F111-F141 AromaticContact CZ-CZ 3.67Å; F111-F141 HydrophobicContact CZ-CZ 3.67Å; I133-F141 HydrophobicContact CD1-CD2 3.68Å; I133-F141 HydrophobicContact CD1-CE2 3.91Å; I133-F141 HydrophobicContact CD1-CG 4.29Å; I133-F141 HydrophobicContact CG1-CD2 3.98Å; V134-F141 CarbonylContact O-C 3.55Å; V134-F141 VanDerWaalsContact O-CA 3.25Å; V134-F141 WeakPolarHBondContact O-CA 3.4Å; V134-F141 VanDerWaalsContact O-CB 3.32Å; V134-F141 WeakPolarHBondContact O-CB 3.34Å; F141-V143 HydrophobicContact CD2-CG2 3.78Å; F141-V143 HydrophobicContact CE2-CG2 3.57Å; F141-C223 HydrophobicContact CD1-CB 4.11Å; F141-C223 HydrophobicContact CD2-CB 3.95Å; F141-C223 HydrophobicContact CE1-CB 3.69Å; F141-C223 HydrophobicContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-SG 3.52Å; F141-C223 HydrophobicContact CG-CB 4.24Å; F141-C223 HydrophobicContact CZ-CB 3.32Å; F141-C223 PolarHBondContact N-O 2.8Å; F141-C223 PolarHBondContact O-N 3.21Å; F141-F227 HydrophobicContact CD1-CD2 4.41Å; F141-F227 AromaticContact CD1-CE2 3.55Å; F141-F227 HydrophobicContact CD1-CE2 3.55Å; F141-F227 AromaticContact CD1-CZ 3.82Å; F141-F227 HydrophobicContact CD1-CZ 3.82Å; F141-F227 AromaticContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CE1 4.19Å; F141-F227 AromaticContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CG 4.37Å; F141-F227 AromaticContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CZ-CD2 4.35Å; F141-F227 HydrophobicContact CZ-CE2 4.02Å; F141-F227 HydrophobicContact CZ-CZ 4.02Å; F141-I230 HydrophobicContact CE2-CD1 3.79Å; F141-I230 HydrophobicContact CZ-CD1 3.85Å; F141-I230 HydrophobicContact CZ-CG2 4.48Å |
| 142 | S | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.3 | 172.6 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | I133 V134 H136 W221 | I133-S142 WeakPolarHBondContact CA-O 3.33Å; V134-S142 PolarHBondContact N-O 3.28Å; V134-S142 PolarHBondContact O-N 3.33Å; H136-S142 WeakPolarHBondContact NE2-CB 3.19Å; H136-S142 PolarHBondContact NE2-N 3.24Å; H136-S142 PolarHBondContact NE2-OG 2.78Å; S142-W221 CarbonylContact C-O 3.4Å; S142-W221 WeakPolarHBondContact CA-O 3.42Å |
| 143 | V | 93.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.3 | 172 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | K132 I133 F141 F145 L159 W221 I230 | K132-V143 WeakPolarHBondContact O-CA 3.05Å; I133-V143 HydrophobicContact CD1-CG2 4.22Å; I133-V143 HydrophobicContact CG1-CG2 4.27Å; F141-V143 HydrophobicContact CD2-CG2 3.78Å; F141-V143 HydrophobicContact CE2-CG2 3.57Å; V143-F145 HydrophobicContact CB-CE2 4.48Å; V143-F145 HydrophobicContact CG1-CD2 4.29Å; V143-F145 HydrophobicContact CG1-CE1 4.22Å; V143-F145 HydrophobicContact CG1-CE2 3.64Å; V143-F145 HydrophobicContact CG1-CZ 3.6Å; V143-L159 HydrophobicContact CB-CD1 4.09Å; V143-L159 HydrophobicContact CG2-CD1 4Å; V143-W221 HydrophobicContact CB-CB 4.34Å; V143-W221 PolarHBondContact N-O 3.37Å; V143-W221 PolarHBondContact O-N 2.78Å; V143-I230 HydrophobicContact CG2-CD1 4.29Å |
| 144 | Y | 95.3 | Very high | 92 | Very high | 94 Ų | 94 | 46 Ų | 46 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.8 | 179 | -58.3 | -79.4 | 0 | 0 | 0 | 109.1 | G131 K132 V134 V219 S220 | G131-Y144 CarbonylContact C-O 3.58Å; G131-Y144 WeakPolarHBondContact CA-O 3.32Å; K132-Y144 PolarHBondContact N-O 2.94Å; K132-Y144 PolarHBondContact O-N 2.84Å; V134-Y144 HydrophobicContact CB-CE2 4.08Å; V134-Y144 HydrophobicContact CG2-CD2 4.07Å; V134-Y144 HydrophobicContact CG2-CE2 3.7Å; Y144-V219 CarbonylContact C-O 3.57Å; Y144-V219 WeakPolarHBondContact CA-O 3.42Å; Y144-S220 WeakPolarHBondContact CE1-OG 3.43Å |
| 145 | F | 97 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.9 | 168.4 | -67 | -67.9 | 0 | 0 | 0 | 110.1 | F116 I129 T130 V143 V157 L159 H218 V219 W221 I232 | F116-F145 HydrophobicContact CD1-CE1 4.37Å; I129-F145 HydrophobicContact CG2-CD1 4.3Å; T130-F145 WeakPolarHBondContact O-CA 3.35Å; V143-F145 HydrophobicContact CB-CE2 4.48Å; V143-F145 HydrophobicContact CG1-CD2 4.29Å; V143-F145 HydrophobicContact CG1-CE1 4.22Å; V143-F145 HydrophobicContact CG1-CE2 3.64Å; V143-F145 HydrophobicContact CG1-CZ 3.6Å; F145-V157 HydrophobicContact CD1-CG1 4.07Å; F145-V157 HydrophobicContact CD2-CG1 4.39Å; F145-V157 HydrophobicContact CE1-CG1 4.3Å; F145-V157 HydrophobicContact CG-CG1 4.11Å; F145-L159 HydrophobicContact CE2-CD2 3.63Å; F145-L159 HydrophobicContact CE2-CG 3.9Å; F145-L159 HydrophobicContact CZ-CD2 3.65Å; F145-L159 HydrophobicContact CZ-CG 4.43Å; F145-H218 CarbonylContact O-C 3.5Å; F145-H218 WeakPolarHBondContact O-CA 3.37Å; F145-V219 PolarHBondContact N-O 3.42Å; F145-V219 PolarHBondContact O-N 2.86Å; F145-W221 AromaticContact CD2-CD1 3.85Å; F145-I232 HydrophobicContact CE1-CD1 4.19Å; F145-I232 HydrophobicContact CE1-CG1 4.43Å; F145-I232 HydrophobicContact CE1-CG2 4.04Å; F145-I232 HydrophobicContact CZ-CD1 4.36Å; F145-I232 HydrophobicContact CZ-CG1 4.14Å; F145-I232 HydrophobicContact CZ-CG2 4Å |
| 146 | R | 96.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.1 | 163.5 | 176.8 | -175.3 | -170.8 | -169.1 | 1.6 | 107.8 | T130 S217 | T130-R146 PolarHBondContact N-O 2.94Å; T130-R146 PolarHBondContact O-N 2.83Å; T130-R146 WeakPolarHBondContact OG1-CB 3.33Å; T130-R146 PolarHBondContact OG1-O 2.98Å; T130-R146 VanDerWaalsContact OG1-O 3.08Å; R146-S217 WeakPolarHBondContact CA-O 3.37Å |
| 147 | H | 96.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.9 | 173.4 | 70 | -98.7 | 0 | 0 | 0 | 111.6 | L127 L128 I129 V157 S217 | L127-H147 HydrophobicContact CD1-CB 4.1Å; L128-H147 CarbonylContact O-C 3.52Å; L128-H147 WeakPolarHBondContact O-CA 3.27Å; I129-H147 HydrophobicContact CB-CB 4.45Å; I129-H147 HydrophobicContact CG1-CB 3.9Å; H147-V157 HydrophobicContact CB-CG2 4.49Å; H147-S217 WeakPolarHBondContact CE1-CB 3.3Å; H147-S217 PolarHBondContact CE1-OG 2.99Å; H147-S217 VanDerWaalsContact CE1-OG 3.22Å; H147-S217 PolarHBondContact N-O 2.75Å; H147-S217 VanDerWaalsContact NE2-CB 3.25Å; H147-S217 WeakPolarHBondContact NE2-CB 3.29Å; H147-S217 PolarHBondContact O-N 2.83Å |
| 148 | N | 96.5 | Very high | 93 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 19% | 0.193 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.3 | 174.3 | -61.7 | -46.9 | 0 | 0 | 0 | 107.9 | L128 T215 Q216 | L128-N148 PolarHBondContact N-O 2.85Å; L128-N148 PolarHBondContact O-N 2.94Å; N148-T215 CarbonylContact C-O 3.56Å; N148-T215 VanDerWaalsContact CA-O 3.3Å; N148-T215 WeakPolarHBondContact CA-O 3.43Å; N148-Q216 WeakPolarHBondContact OD1-CB 3.37Å; N148-Q216 VanDerWaalsContact OD1-CG 3.27Å; N148-Q216 WeakPolarHBondContact OD1-CG 3.23Å; N148-Q216 PolarHBondContact OD1-NE2 3.02Å |
| 149 | S | 96 | Very high | 93.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.1 | 172.1 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | N126 H214 T215 | N126-S149 CarbonylContact O-C 3.56Å; N126-S149 WeakPolarHBondContact O-CA 3.18Å; S149-H214 WeakPolarHBondContact O-CA 3.44Å; S149-T215 PolarHBondContact N-O 3.01Å; S149-T215 PolarHBondContact O-N 3.07Å; S149-T215 WeakPolarHBondContact OG-CB 3.36Å |
| 150 | T | 95.1 | Very high | 93.5 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 29% | 0.288 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 121.7 | 176.7 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | N126 Q212 E213 H214 | N126-T150 PolarHBondContact N-O 2.75Å; N126-T150 PolarHBondContact O-N 2.8Å; T150-Q212 HydrophobicContact CG2-CG 4.44Å; T150-E213 CarbonylContact C-O 3.59Å; T150-E213 WeakPolarHBondContact CA-O 3.05Å; T150-H214 PolarHBondContact OG1-CD2 3.22Å |
| 151 | G | 92.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.6 | -146.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K124 E213 | K124-G151 CarbonylContact O-C 3.47Å; K124-G151 WeakPolarHBondContact O-CA 3.34Å; G151-E213 PolarHBondContact N-O 3.3Å; G151-E213 WeakPolarHBondContact O-CB 3.13Å; G151-E213 PolarHBondContact O-N 3.03Å |
| 152 | M | 89.8 | Confident | 93.2 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 34% | 0.34 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -118.7 | 119.4 | 177.9 | -58.9 | -168.4 | -41.3 | 0 | 0 | 110.6 | K124 Y211 S238 V239 | K124-M152 PolarHBondContact O-N 3.47Å; M152-Y211 VanDerWaalsContact CG-O 3.27Å; M152-Y211 WeakPolarHBondContact CG-O 3.47Å; M152-S238 PolarHBondContact O-OG 2.87Å; M152-V239 HydrophobicContact CB-CG1 4.3Å; M152-V239 HydrophobicContact CE-CG1 4.02Å; M152-V239 HydrophobicContact CE-CG2 3.89Å |
| 153 | G | 90.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.9 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y237 | G153-Y237 CarbonylContact C-O 3.57Å; G153-Y237 WeakPolarHBondContact CA-O 3.27Å |
| 154 | N | 92.1 | Very high | 92.4 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 60% | 0.604 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140 | -178.7 | -64 | -26.7 | 0 | 0 | 0 | 110 | Y237 | N154-Y237 PolarHBondContact N-O 3Å; N154-Y237 PolarHBondContact O-N 2.83Å |
| 155 | V | 93.9 | Very high | 91.9 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.3 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 108.8 | L125 L127 A235 F236 | L125-V155 HydrophobicContact CD2-CG1 3.92Å; L127-V155 HydrophobicContact CB-CG1 4.4Å; L127-V155 HydrophobicContact CD1-CB 4.12Å; L127-V155 HydrophobicContact CD1-CG1 4.1Å; L127-V155 HydrophobicContact CD1-CG2 4.11Å; L127-V155 HydrophobicContact CD2-CB 4.03Å; L127-V155 HydrophobicContact CD2-CG1 3.83Å; L127-V155 HydrophobicContact CG-CG1 4.34Å; V155-A235 WeakPolarHBondContact CA-O 3.2Å; V155-F236 HydrophobicContact CG1-CD2 4.11Å |
| 156 | S | 93.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 138.9 | 172.9 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | A235 | S156-A235 PolarHBondContact N-O 3.41Å; S156-A235 PolarHBondContact O-N 2.92Å; S156-A235 WeakPolarHBondContact OG-CB 3.2Å |
| 157 | V | 94.6 | Very high | 90.9 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | 176.6 | -175 | 0 | 0 | 0 | 0 | 108.3 | I129 F145 H147 I232 Y233 I234 | I129-V157 HydrophobicContact CD1-CG2 3.56Å; I129-V157 HydrophobicContact CG1-CG2 3.92Å; I129-V157 HydrophobicContact CG2-CG1 4.35Å; I129-V157 HydrophobicContact CG2-CG2 4.36Å; F145-V157 HydrophobicContact CD1-CG1 4.07Å; F145-V157 HydrophobicContact CD2-CG1 4.39Å; F145-V157 HydrophobicContact CE1-CG1 4.3Å; F145-V157 HydrophobicContact CG-CG1 4.11Å; H147-V157 HydrophobicContact CB-CG2 4.49Å; V157-I232 HydrophobicContact CG1-CG2 4Å; V157-Y233 WeakPolarHBondContact CA-O 3.43Å; V157-I234 HydrophobicContact CG1-CG1 4.5Å |
| 158 | S | 93.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 12% | 0.119 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 160.8 | -178.9 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | Y233 | S158-Y233 PolarHBondContact N-O 2.91Å; S158-Y233 PolarHBondContact O-N 3.02Å |
| 159 | L | 92.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 136.7 | 166.6 | -64.2 | -177 | 0 | 0 | 0 | 109.4 | V143 F145 F184 C186 W221 I230 C231 I232 | V143-L159 HydrophobicContact CB-CD1 4.09Å; V143-L159 HydrophobicContact CG2-CD1 4Å; F145-L159 HydrophobicContact CE2-CD2 3.63Å; F145-L159 HydrophobicContact CE2-CG 3.9Å; F145-L159 HydrophobicContact CZ-CD2 3.65Å; F145-L159 HydrophobicContact CZ-CG 4.43Å; L159-F184 HydrophobicContact CB-CE1 4.05Å; L159-F184 HydrophobicContact CB-CZ 3.85Å; L159-F184 VanDerWaalsContact O-CE1 3.28Å; L159-F184 WeakPolarHBondContact O-CE1 3.13Å; L159-C186 HydrophobicContact CD1-CB 4.49Å; L159-W221 HydrophobicContact CB-CD2 4.13Å; L159-W221 HydrophobicContact CB-CE3 4.12Å; L159-W221 HydrophobicContact CB-CZ3 4.37Å; L159-W221 HydrophobicContact CD1-CB 3.62Å; L159-W221 HydrophobicContact CD1-CD2 3.97Å; L159-W221 HydrophobicContact CD1-CE3 4.25Å; L159-W221 HydrophobicContact CD1-CG 3.7Å; L159-W221 HydrophobicContact CG-CB 4.43Å; L159-W221 HydrophobicContact CG-CD2 3.97Å; L159-W221 HydrophobicContact CG-CE3 4.39Å; L159-W221 HydrophobicContact CG-CG 3.98Å; L159-I230 HydrophobicContact CD1-CD1 4.41Å; L159-I230 HydrophobicContact CD2-CD1 4.39Å; L159-C231 WeakPolarHBondContact CA-O 3.32Å; L159-I232 HydrophobicContact CD2-CG1 4.45Å |
| 160 | V | 90.1 | Very high | 87.3 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.7 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 111 | K164 C231 Y233 K246 | V160-K164 HydrophobicContact CB-CB 3.83Å; V160-K164 HydrophobicContact CB-CG 3.99Å; V160-K164 HydrophobicContact CG1-CG 4.13Å; V160-K164 HydrophobicContact CG2-CB 3.87Å; V160-K164 HydrophobicContact CG2-CG 4.12Å; V160-C231 HydrophobicContact CG2-CB 3.95Å; V160-C231 PolarHBondContact N-O 2.99Å; V160-C231 PolarHBondContact O-N 3.01Å; V160-Y233 HydrophobicContact CG1-CG 4.24Å; V160-Y233 HydrophobicContact CG2-CD2 4.39Å; V160-K246 HydrophobicContact CG2-CD 4.36Å; V160-K246 HydrophobicContact CG2-CG 4.41Å |
| 161 | P | 88.9 | Confident | 85.2 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | trans | -66.9 | 156.6 | 169.6 | 28.9 | -35.4 | 0 | 0 | 0 | 111.1 | S163 K164 F184 | P161-S163 PolarHBondContact O-N 2.81Å; P161-S163 VanDerWaalsContact O-N 3.13Å; P161-K164 WeakPolarHBondContact O-CB 3.49Å; P161-K164 PolarHBondContact O-N 2.86Å; P161-F184 HydrophobicContact CB-CD2 4.15Å; P161-F184 HydrophobicContact CB-CE2 4.36Å; P161-F184 HydrophobicContact CG-CD2 4.41Å | ||
| 162 | P | 85.6 | Confident | 83.1 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.9 | 178.8 | -23.1 | 32.3 | 0 | 0 | 0 | 114.5 | K164 V229 K246 Y251 | P162-K164 PolarHBondContact O-N 2.88Å; P162-V229 WeakPolarHBondContact CD-O 3.37Å; P162-V229 HydrophobicContact CG-CB 3.67Å; P162-V229 HydrophobicContact CG-CG1 3.7Å; P162-K246 PolarHBondContact O-NZ 3.48Å; P162-Y251 HydrophobicContact CB-CD2 4.27Å; P162-Y251 HydrophobicContact CB-CE2 4.08Å |
| 163 | S | 83.4 | Confident | 81 | Confident | 98 Ų | 98 | 69 Ų | 69 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.4 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | P161 V165 | P161-S163 PolarHBondContact O-N 2.81Å; P161-S163 VanDerWaalsContact O-N 3.13Å; S163-V165 PolarHBondContact O-N 2.94Å |
| 164 | K | 85.8 | Confident | 78.6 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 30% | 0.296 | 40% | 0.4 | S | S | . | . | trans | -62.8 | 124 | 178.2 | -177.9 | 64.5 | 178.9 | 177.8 | 0 | 110.1 | V160 P161 P162 E169 Y233 K246 | V160-K164 HydrophobicContact CB-CB 3.83Å; V160-K164 HydrophobicContact CB-CG 3.99Å; V160-K164 HydrophobicContact CG1-CG 4.13Å; V160-K164 HydrophobicContact CG2-CB 3.87Å; V160-K164 HydrophobicContact CG2-CG 4.12Å; P161-K164 WeakPolarHBondContact O-CB 3.49Å; P161-K164 PolarHBondContact O-N 2.86Å; P162-K164 PolarHBondContact O-N 2.88Å; K164-E169 WeakPolarHBondContact CE-OE1 3.36Å; K164-E169 IonicContact NZ-OE1 2.73Å; K164-E169 PolarHBondContact NZ-OE1 2.83Å; K164-Y233 HydrophobicContact CG-CD2 4.49Å; K164-Y233 HydrophobicContact CG-CE2 4.5Å; K164-K246 WeakPolarHBondContact O-CD 3.44Å; K164-K246 WeakPolarHBondContact O-CE 3.2Å; K164-K246 PolarHBondContact O-NZ 3.36Å | ||
| 165 | V | 85 | Confident | 75.9 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 58% | 0.582 | 41% | 0.406 | S | S | * | . | trans | -74 | 148.3 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | S163 | S163-V165 PolarHBondContact O-N 2.94Š| ||
| 166 | V | 87.4 | Confident | 73.5 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 22% | 0.224 | 44% | 0.439 | C | S | . | . | trans | -87.1 | 109.6 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | V244 K246 | V166-V244 HydrophobicContact CG1-CB 4.03Å; V166-V244 HydrophobicContact CG1-CG1 3.74Å; V166-K246 HydrophobicContact CG2-CB 3.46Å; V166-K246 VanDerWaalsContact CG2-CB 3.46Å; V166-K246 HydrophobicContact CG2-CD 4.43Å | ||
| 167 | E | 86 | Confident | 71.2 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 60% | 0.598 | 46% | 0.458 | S | S | * | . | trans | -145.7 | 150.7 | -179.6 | -171.9 | 172.8 | -176.5 | 0 | 0 | 110.9 | E169 Y233 | E167-E169 VanDerWaalsContact C-N 3.31Å; E167-E169 PolarHBondContact O-N 3.08Å; E167-Y233 PolarHBondContact O-OH 2.89Å | ||
| 168 | F | 83.2 | Confident | 68.9 | Low | 108 Ų | 108 | 88.9 Ų | 88.9 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | trans | -73.4 | 85.1 | 170.8 | -64.6 | -70.6 | 0 | 0 | 0 | 110.4 | I170 Y237 K242 V244 | F168-I170 PolarHBondContact O-N 2.94Å; F168-Y237 WeakPolarHBondContact CA-OH 3.5Å; F168-Y237 HydrophobicContact CD1-CE1 4.04Å; F168-K242 HydrophobicContact CD1-CB 4.02Å; F168-K242 HydrophobicContact CE1-CB 3.69Å; F168-V244 HydrophobicContact CD1-CG2 3.54Å; F168-V244 HydrophobicContact CE1-CB 4.45Å; F168-V244 HydrophobicContact CE1-CG2 3.78Å; F168-V244 HydrophobicContact CG-CG2 4.34Å | ||
| 169 | E | 71.8 | Confident | 66.7 | Low | 62 Ų | 62 | 97 Ų | 97 | 29% | 0.29 | 52% | 0.524 | S | S | . | . | trans | -67.6 | 113.1 | 173.1 | -65.2 | -177.2 | 171.9 | 0 | 0 | 110.5 | K164 E167 A171 Y237 | K164-E169 WeakPolarHBondContact CE-OE1 3.36Å; K164-E169 IonicContact NZ-OE1 2.73Å; K164-E169 PolarHBondContact NZ-OE1 2.83Å; E167-E169 VanDerWaalsContact C-N 3.31Å; E167-E169 PolarHBondContact O-N 3.08Å; E169-A171 VanDerWaalsContact C-N 3.34Å; E169-Y237 PolarHBondContact N-OH 2.86Å; E169-Y237 VanDerWaalsContact N-OH 3.08Å; E169-Y237 PolarHBondContact O-OH 2.86Å | ||
| 170 | I | 58.9 | Low | 64.8 | Low | 164 Ų | 164 | 102.1 Ų | 102.1 | 84% | 0.841 | 55% | 0.551 | S | S | * | * | trans | -83.4 | -10.6 | 178.9 | -63.3 | 163.3 | 0 | 0 | 0 | 111.8 | F168 | F168-I170 PolarHBondContact O-N 2.94Š| ||
| 171 | A | 50.9 | Low | 63.1 | Low | 79 Ų | 79 | 105.1 Ų | 105.1 | 65% | 0.653 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -108.3 | 134.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E169 Q173 | E169-A171 VanDerWaalsContact C-N 3.34Å; A171-Q173 PolarHBondContact O-N 2.81Å |
| 172 | Q | 47 | Very low | 61.7 | Low | 174 Ų | 174 | 113.1 Ų | 113.1 | 81% | 0.813 | 60% | 0.6 | S | S | * | * | trans | -49.7 | 130.4 | 168.1 | -77.6 | 172.8 | -25.5 | 0 | 0 | 110.5 | S174 | Q172-S174 PolarHBondContact O-N 3.36Š| ||
| 173 | Q | 47.3 | Very low | 60.9 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 54% | 0.542 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -62.2 | 61.4 | 174.9 | -74.1 | 162.8 | -31.1 | 0 | 0 | 112.7 | A171 | A171-Q173 PolarHBondContact O-N 2.81Š|
| 174 | S | 40.4 | Very low | 60.9 | Low | 91 Ų | 91 | 112.5 Ų | 112.5 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -119.6 | -5.9 | 178.9 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | Q172 | Q172-S174 PolarHBondContact O-N 3.36Š|
| 175 | T | 33.8 | Very low | 61 | Low | 116 Ų | 116 | 113 Ų | 113 | 71% | 0.712 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -140.3 | -5.1 | -174.3 | 47.3 | 0 | 0 | 0 | 0 | 117.3 | ||
| 176 | L | 44.5 | Very low | 61.3 | Low | 162 Ų | 162 | 108.9 Ų | 108.9 | 85% | 0.848 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -104.1 | 11.2 | 175.7 | -86.8 | 170.7 | 0 | 0 | 0 | 114.1 | T178 | L176-T178 VanDerWaalsContact C-N 3.29Å; L176-T178 PolarHBondContact O-N 3.19Å |
| 177 | E | 45.8 | Very low | 61.5 | Low | 130 Ų | 130 | 115 Ų | 115 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -12.9 | 179.1 | -77.3 | -137.7 | 134.7 | 0 | 0 | 114.1 | T181 | E177-T181 HydrophobicContact CB-CG2 4.49Å; E177-T181 WeakPolarHBondContact O-CB 3.37Å; E177-T181 VanDerWaalsContact O-CG2 3.23Å; E177-T181 WeakPolarHBondContact O-CG2 3.3Å; E177-T181 PolarHBondContact O-OG1 2.86Å |
| 178 | T | 45.5 | Very low | 61.9 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 76% | 0.761 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -17.2 | -164.8 | -22.2 | 0 | 0 | 0 | 0 | 115 | L176 | L176-T178 VanDerWaalsContact C-N 3.29Å; L176-T178 PolarHBondContact O-N 3.19Å |
| 179 | K | 47.3 | Very low | 62.4 | Low | 188 Ų | 188 | 113.1 Ų | 113.1 | 82% | 0.817 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -32.4 | -172.6 | -152 | 175.9 | 179.7 | -176.7 | 0 | 114.4 | ||
| 180 | D | 51.5 | Low | 63.5 | Low | 113 Ų | 113 | 116.1 Ų | 116.1 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -17.9 | -176.6 | -68.7 | -25.5 | 0 | 0 | 0 | 114.4 | K182 S183 | D180-K182 PolarHBondContact O-N 3.13Å; D180-S183 PolarHBondContact O-N 3.37Å; D180-S183 VanDerWaalsContact O-N 3.12Å; D180-S183 PolarHBondContact O-OG 3.02Å |
| 181 | T | 55.3 | Low | 65.2 | Low | 75 Ų | 75 | 113.8 Ų | 113.8 | 46% | 0.46 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -62 | -29.6 | 177.8 | 37.6 | 0 | 0 | 0 | 0 | 113.2 | E177 S183 F184 | E177-T181 HydrophobicContact CB-CG2 4.49Å; E177-T181 WeakPolarHBondContact O-CB 3.37Å; E177-T181 VanDerWaalsContact O-CG2 3.23Å; E177-T181 WeakPolarHBondContact O-CG2 3.3Å; E177-T181 PolarHBondContact O-OG1 2.86Å; T181-S183 PolarHBondContact O-N 3.26Å; T181-F184 PolarHBondContact O-N 2.65Å |
| 182 | K | 59.9 | Low | 67.4 | Low | 205 Ų | 205 | 115.6 Ų | 115.6 | 89% | 0.891 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -64.3 | -15.3 | 178.7 | -143.8 | 176.6 | -173.6 | 179.2 | 0 | 113 | D180 | D180-K182 PolarHBondContact O-N 3.13Š|
| 183 | S | 67.8 | Low | 69.7 | Low | 87 Ų | 87 | 109.9 Ų | 109.9 | 61% | 0.608 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -107.5 | -10.6 | -179.8 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | D180 T181 | D180-S183 PolarHBondContact O-N 3.37Å; D180-S183 VanDerWaalsContact O-N 3.12Å; D180-S183 PolarHBondContact O-OG 3.02Å; T181-S183 PolarHBondContact O-N 3.26Å |
| 184 | F | 84 | Confident | 72 | Confident | 40 Ų | 40 | 108.8 Ų | 108.8 | 18% | 0.175 | 55% | 0.55 | C | S | . | . | trans | -104.2 | 109.6 | -176.2 | -166.9 | -127.3 | 0 | 0 | 0 | 110.8 | L159 P161 T181 C186 W221 I230 | L159-F184 HydrophobicContact CB-CE1 4.05Å; L159-F184 HydrophobicContact CB-CZ 3.85Å; L159-F184 VanDerWaalsContact O-CE1 3.28Å; L159-F184 WeakPolarHBondContact O-CE1 3.13Å; P161-F184 HydrophobicContact CB-CD2 4.15Å; P161-F184 HydrophobicContact CB-CE2 4.36Å; P161-F184 HydrophobicContact CG-CD2 4.41Å; T181-F184 PolarHBondContact O-N 2.65Å; F184-C186 HydrophobicContact CD1-CB 3.88Å; F184-C186 HydrophobicContact CE1-CB 3.43Å; F184-C186 VanDerWaalsContact CE1-CB 3.43Å; F184-C186 HydrophobicContact CE2-CB 4.32Å; F184-C186 HydrophobicContact CZ-CB 3.66Å; F184-C186 PolarHBondContact O-N 2.88Å; F184-W221 HydrophobicContact CE1-CZ3 4.33Å; F184-I230 HydrophobicContact CE2-CG2 4.47Å | ||
| 185 | N | 88 | Confident | 74.5 | Confident | 78 Ų | 78 | 112.2 Ų | 112.2 | 42% | 0.417 | 55% | 0.549 | S | S | . | . | trans | -78 | 18.6 | -174.7 | -61 | -35.9 | 0 | 0 | 0 | 114.2 | C223 S224 F227 | N185-C223 VanDerWaalsContact O-CA 3.31Å; N185-C223 WeakPolarHBondContact O-CA 3.36Å; N185-S224 WeakPolarHBondContact CB-O 3.25Å; N185-S224 PolarHBondContact O-N 3.26Å; N185-F227 HydrophobicContact CB-CD1 3.73Å; N185-F227 HydrophobicContact CB-CE1 3.71Å | ||
| 186 | C | 90.8 | Very high | 77.4 | Confident | 9 Ų | 9 | 110.6 Ų | 110.6 | 6% | 0.061 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.9 | 177.7 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | L159 F184 W221 L222 C223 | L159-C186 HydrophobicContact CD1-CB 4.49Å; F184-C186 HydrophobicContact CD1-CB 3.88Å; F184-C186 HydrophobicContact CE1-CB 3.43Å; F184-C186 VanDerWaalsContact CE1-CB 3.43Å; F184-C186 HydrophobicContact CE2-CB 4.32Å; F184-C186 HydrophobicContact CZ-CB 3.66Å; F184-C186 PolarHBondContact O-N 2.88Å; C186-W221 HydrophobicContact CB-CE3 4.15Å; C186-L222 WeakPolarHBondContact CA-O 3.44Å; C186-C223 HydrophobicContact CB-CB 4.13Å; C186-C223 WeakPolarHBondContact CB-SG 3.49Å; C186-C223 WeakPolarHBondContact SG-CB 3.44Å; C186-C223 CovalentContact SG-SG 2.04Å; C186-C223 PolarHBondContact SG-SG 3.12Å |
| 187 | R | 92 | Very high | 79.6 | Confident | 165 Ų | 165 | 108.5 Ų | 108.5 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153.3 | 179.4 | 64.1 | -174.9 | -178.5 | -155.1 | 1.4 | 110.7 | E189 W221 L222 | R187-E189 PolarHBondContact O-N 3.27Å; R187-W221 CarbonylContact O-C 3.51Å; R187-W221 WeakPolarHBondContact O-CA 3.18Å; R187-L222 PolarHBondContact N-O 3.38Å; R187-L222 PolarHBondContact O-N 3.3Å |
| 188 | I | 93.6 | Very high | 81.7 | Confident | 80 Ų | 80 | 108.8 Ų | 108.8 | 41% | 0.41 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.7 | 171.9 | -59.3 | 172 | 0 | 0 | 0 | 107.7 | E191 V219 W221 | I188-E191 HydrophobicContact CG2-CB 4.05Å; I188-V219 HydrophobicContact CG1-CG1 4.48Å; I188-V219 HydrophobicContact CG2-CG1 4.14Å; I188-W221 HydrophobicContact CD1-CH2 3.95Å; I188-W221 HydrophobicContact CD1-CZ2 3.77Å; I188-W221 HydrophobicContact CG1-CD2 3.95Å; I188-W221 HydrophobicContact CG1-CE3 4.02Å; I188-W221 HydrophobicContact CG1-CH2 3.6Å; I188-W221 HydrophobicContact CG1-CZ2 3.5Å; I188-W221 HydrophobicContact CG1-CZ3 3.86Å |
| 189 | E | 94.7 | Very high | 83.8 | Confident | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -39.4 | 174.8 | 177.5 | -177.6 | -149.6 | 0 | 0 | 110.7 | R187 S220 L222 | R187-E189 PolarHBondContact O-N 3.27Å; E189-S220 PolarHBondContact N-O 2.86Å; E189-S220 PolarHBondContact OE2-OG 3.33Å; E189-L222 HydrophobicContact CB-CB 4.21Å |
| 190 | Y | 94.5 | Very high | 85.6 | Confident | 124 Ų | 124 | 101 Ų | 101 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 135.8 | -179.2 | 176.6 | -98.4 | 0 | 0 | 0 | 109.9 | K192 V219 S220 | Y190-K192 HydrophobicContact CE1-CB 3.68Å; Y190-K192 VanDerWaalsContact OH-CB 3.27Å; Y190-K192 WeakPolarHBondContact OH-CB 3.03Å; Y190-K192 WeakPolarHBondContact OH-CD 3.43Å; Y190-V219 CarbonylContact O-C 3.58Å; Y190-V219 WeakPolarHBondContact O-CA 3.48Å; Y190-S220 PolarHBondContact N-O 2.86Å; Y190-S220 PolarHBondContact O-N 2.82Å |
| 191 | E | 95.4 | Very high | 87.2 | Confident | 115 Ų | 115 | 101.3 Ų | 101.3 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 131 | 170.3 | 176.9 | 173.5 | -169.7 | 0 | 0 | 108.9 | I188 H218 V219 | I188-E191 HydrophobicContact CG2-CB 4.05Å; E191-H218 WeakPolarHBondContact CA-O 3.24Å; E191-V219 HydrophobicContact CG-CG2 4.22Å |
| 192 | K | 96.3 | Very high | 88.6 | Confident | 118 Ų | 118 | 98.8 Ų | 98.8 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 126 | 169.7 | 176.5 | 175.5 | 176.8 | -178.4 | 0 | 109.1 | Y190 S217 H218 | Y190-K192 HydrophobicContact CE1-CB 3.68Å; Y190-K192 VanDerWaalsContact OH-CB 3.27Å; Y190-K192 WeakPolarHBondContact OH-CB 3.03Å; Y190-K192 WeakPolarHBondContact OH-CD 3.43Å; K192-S217 CarbonylContact O-C 3.56Å; K192-S217 WeakPolarHBondContact O-CA 3.32Å; K192-H218 PolarHBondContact N-O 2.89Å; K192-H218 PolarHBondContact O-N 3Å |
| 193 | T | 95.4 | Very high | 89.6 | Confident | 53 Ų | 53 | 93 Ų | 93 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.9 | 178.6 | -65.3 | 0 | 0 | 0 | 0 | 108.9 | R195 T215 S217 | T193-R195 HydrophobicContact CG2-CG 4.05Å; T193-T215 HydrophobicContact CG2-CG2 3.73Å; T193-S217 WeakPolarHBondContact OG1-CB 3.42Å; T193-S217 PolarHBondContact OG1-OG 2.04Å |
| 194 | D | 95.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 99.3 Ų | 99.3 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128 | 172.4 | -170.8 | -10.4 | 0 | 0 | 0 | 109 | T215 Q216 | D194-T215 CarbonylContact O-C 3.51Å; D194-T215 VanDerWaalsContact O-CA 3.31Å; D194-T215 WeakPolarHBondContact O-CA 3.35Å; D194-Q216 PolarHBondContact N-O 2.94Å; D194-Q216 PolarHBondContact O-N 2.83Å |
| 195 | R | 93.9 | Very high | 90.5 | Very high | 163 Ų | 163 | 99.5 Ų | 99.5 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.6 | -179.1 | -73.4 | -179.3 | -178.8 | 175 | 2.3 | 109.4 | T193 E213 T215 | T193-R195 HydrophobicContact CG2-CG 4.05Å; R195-E213 WeakPolarHBondContact CD-OE1 3.47Å; R195-T215 HydrophobicContact CG-CG2 3.68Å |
| 196 | N | 93.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 100.4 Ų | 100.4 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117 | 172.9 | -172.9 | -2.8 | 0 | 0 | 0 | 109.6 | H214 | N196-H214 PolarHBondContact N-O 2.88Å; N196-H214 PolarHBondContact O-N 2.89Å |
| 197 | K | 92.1 | Very high | 90 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.9 | 177.4 | -177 | 174.3 | 176.9 | 175.7 | 0 | 109.6 | Y211 | K197-Y211 HydrophobicContact CD-CD1 4.44Å |
| 198 | K | 89.9 | Confident | 89.7 | Confident | 136 Ų | 136 | 102.6 Ų | 102.6 | 59% | 0.591 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.7 | 171.9 | -67.3 | -175 | 179.5 | -178.6 | 0 | 109.5 | Q212 | K198-Q212 PolarHBondContact N-O 2.81Å; K198-Q212 PolarHBondContact O-N 2.86Å |
| 199 | T | 88.2 | Confident | 89.3 | Confident | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.8 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 108 | V209 Y211 | T199-V209 HydrophobicContact CG2-CG1 3.17Å; T199-Y211 HydrophobicContact CG2-CD1 3.9Å; T199-Y211 HydrophobicContact CG2-CE1 3.57Å; T199-Y211 WeakPolarHBondContact OG1-CD1 3.45Å |
| 200 | A | 85.1 | Confident | 88.9 | Confident | 62 Ų | 62 | 99.1 Ų | 99.1 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | C210 | A200-C210 PolarHBondContact N-O 3.44Å; A200-C210 WeakPolarHBondContact O-CA 3.31Å; A200-C210 PolarHBondContact O-N 2.91Å |
| 201 | L | 85.8 | Confident | 88.5 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 141.6 | 170.6 | -61.4 | 177.2 | 0 | 0 | 0 | 109.7 | V209 | L201-V209 HydrophobicContact CD2-CG2 4.32Å |
| 202 | C | 85.2 | Confident | 88.1 | Confident | 22 Ų | 22 | 98.3 Ų | 98.3 | 15% | 0.149 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 133.8 | 179.2 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | F204 D205 K208 C210 | C202-F204 VanDerWaalsContact C-N 3.27Å; C202-F204 PolarHBondContact O-N 3.14Å; C202-D205 CarbonylContact O-C 3.54Å; C202-D205 VanDerWaalsContact O-C 3.29Å; C202-D205 PolarHBondContact O-N 2.76Å; C202-K208 HydrophobicContact CB-CB 4.29Å; C202-K208 PolarHBondContact N-O 3.38Å; C202-K208 PolarHBondContact SG-O 3.37Å; C202-C210 VanDerWaalsContact CA-SG 3.56Å; C202-C210 HydrophobicContact CB-CB 4.13Å; C202-C210 WeakPolarHBondContact CB-SG 3.27Å; C202-C210 VanDerWaalsContact SG-CA 3.58Å; C202-C210 WeakPolarHBondContact SG-CB 3.48Å; C202-C210 PolarHBondContact SG-N 3.45Å; C202-C210 VanDerWaalsContact SG-N 3.37Å; C202-C210 CovalentContact SG-SG 2.03Å; C202-C210 PolarHBondContact SG-SG 2.81Å |
| 203 | G | 81.1 | Confident | 87.9 | Confident | 84 Ų | 84 | 95.2 Ų | 95.2 | 87% | 0.866 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 204 | F | 83.3 | Confident | 87.8 | Confident | 219 Ų | 219 | 96.6 Ų | 96.6 | 96% | 0.961 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -20.1 | 178.9 | -64.3 | -76.7 | 0 | 0 | 0 | 113.9 | C202 | C202-F204 VanDerWaalsContact C-N 3.27Å; C202-F204 PolarHBondContact O-N 3.14Å |
| 205 | D | 86.1 | Confident | 87.8 | Confident | 44 Ų | 44 | 92.7 Ų | 92.7 | 24% | 0.235 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 97.9 | -175.7 | -176.4 | -4.5 | 0 | 0 | 0 | 109.2 | C202 S207 K208 | C202-D205 CarbonylContact O-C 3.54Å; C202-D205 VanDerWaalsContact O-C 3.29Å; C202-D205 PolarHBondContact O-N 2.76Å; D205-S207 VanDerWaalsContact CG-OG 3.28Å; D205-S207 PolarHBondContact O-N 2.89Å; D205-S207 VanDerWaalsContact O-N 3.14Å; D205-S207 WeakPolarHBondContact OD1-CB 3.42Å; D205-S207 PolarHBondContact OD1-N 2.97Å; D205-S207 VanDerWaalsContact OD1-N 3.08Å; D205-S207 PolarHBondContact OD1-OG 2.86Å; D205-S207 PolarHBondContact OD2-OG 2.88Å; D205-K208 HydrophobicContact CB-CB 4.5Å; D205-K208 HydrophobicContact CB-CD 4.42Å; D205-K208 HydrophobicContact CB-CG 4.47Å; D205-K208 PolarHBondContact O-N 2.73Å; D205-K208 WeakPolarHBondContact OD2-CD 3.37Å; D205-K208 WeakPolarHBondContact OD2-CE 3.34Å; D205-K208 WeakPolarHBondContact OD2-CG 3.2Å; D205-K208 IonicContact OD2-NZ 2.65Å; D205-K208 PolarHBondContact OD2-NZ 3.01Å |
| 206 | P | 83.6 | Confident | 88 | Confident | 97 Ų | 97 | 87.5 Ų | 87.5 | 63% | 0.63 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -9.1 | -177.1 | 27 | -33.1 | 0 | 0 | 0 | 113.4 | K208 | P206-K208 VanDerWaalsContact C-N 3.29Å |
| 207 | S | 85.4 | Confident | 88.1 | Confident | 98 Ų | 98 | 83.6 Ų | 83.6 | 69% | 0.685 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -14.6 | 171.8 | 75.5 | 0 | 0 | 0 | 0 | 113 | D205 | D205-S207 VanDerWaalsContact CG-OG 3.28Å; D205-S207 PolarHBondContact O-N 2.89Å; D205-S207 VanDerWaalsContact O-N 3.14Å; D205-S207 WeakPolarHBondContact OD1-CB 3.42Å; D205-S207 PolarHBondContact OD1-N 2.97Å; D205-S207 VanDerWaalsContact OD1-N 3.08Å; D205-S207 PolarHBondContact OD1-OG 2.86Å; D205-S207 PolarHBondContact OD2-OG 2.88Å |
| 208 | K | 84.9 | Confident | 88.3 | Confident | 122 Ų | 122 | 81.2 Ų | 81.2 | 53% | 0.53 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.6 | 180 | -69.7 | -177 | -178 | 114.8 | 0 | 111.8 | C202 D205 P206 | C202-K208 HydrophobicContact CB-CB 4.29Å; C202-K208 PolarHBondContact N-O 3.38Å; C202-K208 PolarHBondContact SG-O 3.37Å; D205-K208 HydrophobicContact CB-CB 4.5Å; D205-K208 HydrophobicContact CB-CD 4.42Å; D205-K208 HydrophobicContact CB-CG 4.47Å; D205-K208 PolarHBondContact O-N 2.73Å; D205-K208 WeakPolarHBondContact OD2-CD 3.37Å; D205-K208 WeakPolarHBondContact OD2-CE 3.34Å; D205-K208 WeakPolarHBondContact OD2-CG 3.2Å; D205-K208 IonicContact OD2-NZ 2.65Å; D205-K208 PolarHBondContact OD2-NZ 3.01Å; P206-K208 VanDerWaalsContact C-N 3.29Å |
| 209 | V | 86.3 | Confident | 88.7 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 42% | 0.418 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.4 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | T199 L201 Y211 | T199-V209 HydrophobicContact CG2-CG1 3.17Å; L201-V209 HydrophobicContact CD2-CG2 4.32Å; V209-Y211 HydrophobicContact CG1-CE1 3.9Å; V209-Y211 HydrophobicContact CG1-CE2 4.46Å |
| 210 | C | 85.9 | Confident | 89 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 143.5 | 175.2 | -85.9 | 0 | 0 | 0 | 0 | 110.3 | A200 C202 | A200-C210 PolarHBondContact N-O 3.44Å; A200-C210 WeakPolarHBondContact O-CA 3.31Å; A200-C210 PolarHBondContact O-N 2.91Å; C202-C210 VanDerWaalsContact CA-SG 3.56Å; C202-C210 HydrophobicContact CB-CB 4.13Å; C202-C210 WeakPolarHBondContact CB-SG 3.27Å; C202-C210 VanDerWaalsContact SG-CA 3.58Å; C202-C210 WeakPolarHBondContact SG-CB 3.48Å; C202-C210 PolarHBondContact SG-N 3.45Å; C202-C210 VanDerWaalsContact SG-N 3.37Å; C202-C210 CovalentContact SG-SG 2.03Å; C202-C210 PolarHBondContact SG-SG 2.81Å |
| 211 | Y | 85.4 | Confident | 89.5 | Confident | 108 Ų | 108 | 69.3 Ų | 69.3 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.3 | 177.1 | -57 | -72.5 | 0 | 0 | 0 | 110 | M152 K197 T199 V209 | M152-Y211 VanDerWaalsContact CG-O 3.27Å; M152-Y211 WeakPolarHBondContact CG-O 3.47Å; K197-Y211 HydrophobicContact CD-CD1 4.44Å; T199-Y211 HydrophobicContact CG2-CD1 3.9Å; T199-Y211 HydrophobicContact CG2-CE1 3.57Å; T199-Y211 WeakPolarHBondContact OG1-CD1 3.45Å; V209-Y211 HydrophobicContact CG1-CE1 3.9Å; V209-Y211 HydrophobicContact CG1-CE2 4.46Å |
| 212 | Q | 87 | Confident | 89.9 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 116.3 | 169.5 | -174.3 | 175.9 | -9.4 | 0 | 0 | 108.1 | T150 K198 | T150-Q212 HydrophobicContact CG2-CG 4.44Å; K198-Q212 PolarHBondContact N-O 2.81Å; K198-Q212 PolarHBondContact O-N 2.86Å |
| 213 | E | 92.7 | Very high | 90.2 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.9 | 177 | -166 | 168.7 | 170.7 | 0 | 0 | 109.6 | T150 G151 R195 | T150-E213 CarbonylContact C-O 3.59Å; T150-E213 WeakPolarHBondContact CA-O 3.05Å; G151-E213 PolarHBondContact N-O 3.3Å; G151-E213 WeakPolarHBondContact O-CB 3.13Å; G151-E213 PolarHBondContact O-N 3.03Å; R195-E213 WeakPolarHBondContact CD-OE1 3.47Å |
| 214 | H | 94.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.7 | 168.4 | -178.6 | -83.6 | 0 | 0 | 0 | 108 | S149 T150 N196 | S149-H214 WeakPolarHBondContact O-CA 3.44Å; T150-H214 PolarHBondContact OG1-CD2 3.22Å; N196-H214 PolarHBondContact N-O 2.88Å; N196-H214 PolarHBondContact O-N 2.89Å |
| 215 | T | 95.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.6 | 178.3 | -47.6 | 0 | 0 | 0 | 0 | 109.1 | N148 S149 T193 D194 R195 | N148-T215 CarbonylContact C-O 3.56Å; N148-T215 VanDerWaalsContact CA-O 3.3Å; N148-T215 WeakPolarHBondContact CA-O 3.43Å; S149-T215 PolarHBondContact N-O 3.01Å; S149-T215 PolarHBondContact O-N 3.07Å; S149-T215 WeakPolarHBondContact OG-CB 3.36Å; T193-T215 HydrophobicContact CG2-CG2 3.73Å; D194-T215 CarbonylContact O-C 3.51Å; D194-T215 VanDerWaalsContact O-CA 3.31Å; D194-T215 WeakPolarHBondContact O-CA 3.35Å; R195-T215 HydrophobicContact CG-CG2 3.68Å |
| 216 | Q | 96.5 | Very high | 89.5 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.1 | 169.7 | 170.3 | 164.4 | 85.7 | 0 | 0 | 108.2 | N148 D194 H218 | N148-Q216 WeakPolarHBondContact OD1-CB 3.37Å; N148-Q216 VanDerWaalsContact OD1-CG 3.27Å; N148-Q216 WeakPolarHBondContact OD1-CG 3.23Å; N148-Q216 PolarHBondContact OD1-NE2 3.02Å; D194-Q216 PolarHBondContact N-O 2.94Å; D194-Q216 PolarHBondContact O-N 2.83Å; Q216-H218 WeakPolarHBondContact CG-NE2 3.05Å |
| 217 | S | 96.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.6 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | R146 H147 K192 T193 | R146-S217 WeakPolarHBondContact CA-O 3.37Å; H147-S217 WeakPolarHBondContact CE1-CB 3.3Å; H147-S217 PolarHBondContact CE1-OG 2.99Å; H147-S217 VanDerWaalsContact CE1-OG 3.22Å; H147-S217 PolarHBondContact N-O 2.75Å; H147-S217 VanDerWaalsContact NE2-CB 3.25Å; H147-S217 WeakPolarHBondContact NE2-CB 3.29Å; H147-S217 PolarHBondContact O-N 2.83Å; K192-S217 CarbonylContact O-C 3.56Å; K192-S217 WeakPolarHBondContact O-CA 3.32Å; T193-S217 WeakPolarHBondContact OG1-CB 3.42Å; T193-S217 PolarHBondContact OG1-OG 2.04Å |
| 218 | H | 96.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120.2 | 178.7 | -66.9 | -101.4 | 0 | 0 | 0 | 108 | F145 E191 K192 Q216 | F145-H218 CarbonylContact O-C 3.5Å; F145-H218 WeakPolarHBondContact O-CA 3.37Å; E191-H218 WeakPolarHBondContact CA-O 3.24Å; K192-H218 PolarHBondContact N-O 2.89Å; K192-H218 PolarHBondContact O-N 3Å; Q216-H218 WeakPolarHBondContact CG-NE2 3.05Å |
| 219 | V | 96.7 | Very high | 87.6 | Confident | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.1 | -179.1 | -167.6 | 0 | 0 | 0 | 0 | 109.2 | Y144 F145 I188 Y190 E191 | Y144-V219 CarbonylContact C-O 3.57Å; Y144-V219 WeakPolarHBondContact CA-O 3.42Å; F145-V219 PolarHBondContact N-O 3.42Å; F145-V219 PolarHBondContact O-N 2.86Å; I188-V219 HydrophobicContact CG1-CG1 4.48Å; I188-V219 HydrophobicContact CG2-CG1 4.14Å; Y190-V219 CarbonylContact O-C 3.58Å; Y190-V219 WeakPolarHBondContact O-CA 3.48Å; E191-V219 HydrophobicContact CG-CG2 4.22Å |
| 220 | S | 95.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121 | 171.6 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | Y144 E189 Y190 | Y144-S220 WeakPolarHBondContact CE1-OG 3.43Å; E189-S220 PolarHBondContact N-O 2.86Å; E189-S220 PolarHBondContact OE2-OG 3.33Å; Y190-S220 PolarHBondContact N-O 2.86Å; Y190-S220 PolarHBondContact O-N 2.82Å |
| 221 | W | 95.3 | Very high | 87.8 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 8% | 0.076 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136 | 170.8 | -69.3 | 76.7 | 0 | 0 | 0 | 109.3 | S142 V143 F145 L159 F184 C186 R187 I188 | S142-W221 CarbonylContact C-O 3.4Å; S142-W221 WeakPolarHBondContact CA-O 3.42Å; V143-W221 HydrophobicContact CB-CB 4.34Å; V143-W221 PolarHBondContact N-O 3.37Å; V143-W221 PolarHBondContact O-N 2.78Å; F145-W221 AromaticContact CD2-CD1 3.85Å; L159-W221 HydrophobicContact CB-CD2 4.13Å; L159-W221 HydrophobicContact CB-CE3 4.12Å; L159-W221 HydrophobicContact CB-CZ3 4.37Å; L159-W221 HydrophobicContact CD1-CB 3.62Å; L159-W221 HydrophobicContact CD1-CD2 3.97Å; L159-W221 HydrophobicContact CD1-CE3 4.25Å; L159-W221 HydrophobicContact CD1-CG 3.7Å; L159-W221 HydrophobicContact CG-CB 4.43Å; L159-W221 HydrophobicContact CG-CD2 3.97Å; L159-W221 HydrophobicContact CG-CE3 4.39Å; L159-W221 HydrophobicContact CG-CG 3.98Å; F184-W221 HydrophobicContact CE1-CZ3 4.33Å; C186-W221 HydrophobicContact CB-CE3 4.15Å; R187-W221 CarbonylContact O-C 3.51Å; R187-W221 WeakPolarHBondContact O-CA 3.18Å; I188-W221 HydrophobicContact CD1-CH2 3.95Å; I188-W221 HydrophobicContact CD1-CZ2 3.77Å; I188-W221 HydrophobicContact CG1-CD2 3.95Å; I188-W221 HydrophobicContact CG1-CE3 4.02Å; I188-W221 HydrophobicContact CG1-CH2 3.6Å; I188-W221 HydrophobicContact CG1-CZ2 3.5Å; I188-W221 HydrophobicContact CG1-CZ3 3.86Å |
| 222 | L | 93.8 | Very high | 88.2 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.2 | 169.7 | -178.9 | 68.4 | 0 | 0 | 0 | 108.9 | C186 R187 E189 | C186-L222 WeakPolarHBondContact CA-O 3.44Å; R187-L222 PolarHBondContact N-O 3.38Å; R187-L222 PolarHBondContact O-N 3.3Å; E189-L222 HydrophobicContact CB-CB 4.21Å |
| 223 | C | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.2 | 179.6 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | T140 F141 N185 C186 F227 | T140-C223 CarbonylContact C-O 3.55Å; T140-C223 WeakPolarHBondContact CA-O 3.47Å; T140-C223 WeakPolarHBondContact CB-O 3.33Å; F141-C223 HydrophobicContact CD1-CB 4.11Å; F141-C223 HydrophobicContact CD2-CB 3.95Å; F141-C223 HydrophobicContact CE1-CB 3.69Å; F141-C223 HydrophobicContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-SG 3.52Å; F141-C223 HydrophobicContact CG-CB 4.24Å; F141-C223 HydrophobicContact CZ-CB 3.32Å; F141-C223 PolarHBondContact N-O 2.8Å; F141-C223 PolarHBondContact O-N 3.21Å; N185-C223 VanDerWaalsContact O-CA 3.31Å; N185-C223 WeakPolarHBondContact O-CA 3.36Å; C186-C223 HydrophobicContact CB-CB 4.13Å; C186-C223 WeakPolarHBondContact CB-SG 3.49Å; C186-C223 WeakPolarHBondContact SG-CB 3.44Å; C186-C223 CovalentContact SG-SG 2.04Å; C186-C223 PolarHBondContact SG-SG 3.12Å; C223-F227 HydrophobicContact CB-CE1 3.48Å; C223-F227 VanDerWaalsContact CB-CE1 3.48Å; C223-F227 HydrophobicContact CB-CE2 4.48Å; C223-F227 HydrophobicContact CB-CZ 3.43Å; C223-F227 VanDerWaalsContact CB-CZ 3.43Å; C223-F227 WeakPolarHBondContact O-CZ 3.31Å |
| 224 | S | 89.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.8 | 173.1 | -58.3 | 0 | 0 | 0 | 0 | 116.1 | N185 F227 | N185-S224 WeakPolarHBondContact CB-O 3.25Å; N185-S224 PolarHBondContact O-N 3.26Å; S224-F227 VanDerWaalsContact C-CE2 3.49Å; S224-F227 VanDerWaalsContact O-CD1 3.3Å; S224-F227 WeakPolarHBondContact O-CD1 3.06Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å; S224-F227 WeakPolarHBondContact O-CZ 2.89Å |
| 225 | K | 79.3 | Confident | 88.6 | Confident | 91 Ų | 91 | 32.7 Ų | 32.7 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -54.5 | 150.7 | 178 | -76 | 177.3 | -168.5 | 164.6 | 0 | 110.6 | M110 G139 F227 | M110-K225 WeakPolarHBondContact SD-CE 3.09Å; M110-K225 PolarHBondContact SD-NZ 2.83Å; G139-K225 VanDerWaalsContact O-CB 3.28Å; G139-K225 WeakPolarHBondContact O-CB 3.28Å; G139-K225 VanDerWaalsContact O-CG 3.23Å; G139-K225 WeakPolarHBondContact O-CG 3.01Å; G139-K225 PolarHBondContact O-N 2.56Å; K225-F227 HydrophobicContact CB-CD2 4.45Å; K225-F227 HydrophobicContact CB-CE2 3.97Å; K225-F227 HydrophobicContact CG-CD2 4Å; K225-F227 HydrophobicContact CG-CE2 3.48Å; K225-F227 VanDerWaalsContact CG-CE2 3.48Å; K225-F227 HydrophobicContact CG-CZ 4.42Å |
| 226 | P | 67.9 | Low | 88.6 | Confident | 117 Ų | 117 | 32.2 Ų | 32.2 | 76% | 0.76 | 17% | 0.165 | S | C | * | . | S | Bend | cis | -99.2 | 121.2 | 16.1 | 35.1 | -30.7 | 0 | 0 | 0 | 112.9 | ||
| 227 | F | 66.7 | Low | 88.5 | Confident | 43 Ų | 43 | 31.8 Ų | 31.8 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | trans | -139.3 | 149 | 171.3 | 18.7 | -130.1 | 0 | 0 | 0 | 110 | F141 N185 C223 S224 K225 | F141-F227 HydrophobicContact CD1-CD2 4.41Å; F141-F227 AromaticContact CD1-CE2 3.55Å; F141-F227 HydrophobicContact CD1-CE2 3.55Å; F141-F227 AromaticContact CD1-CZ 3.82Å; F141-F227 HydrophobicContact CD1-CZ 3.82Å; F141-F227 AromaticContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CE1 4.19Å; F141-F227 AromaticContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CG 4.37Å; F141-F227 AromaticContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CZ-CD2 4.35Å; F141-F227 HydrophobicContact CZ-CE2 4.02Å; F141-F227 HydrophobicContact CZ-CZ 4.02Å; N185-F227 HydrophobicContact CB-CD1 3.73Å; N185-F227 HydrophobicContact CB-CE1 3.71Å; C223-F227 HydrophobicContact CB-CE1 3.48Å; C223-F227 VanDerWaalsContact CB-CE1 3.48Å; C223-F227 HydrophobicContact CB-CE2 4.48Å; C223-F227 HydrophobicContact CB-CZ 3.43Å; C223-F227 VanDerWaalsContact CB-CZ 3.43Å; C223-F227 WeakPolarHBondContact O-CZ 3.31Å; S224-F227 VanDerWaalsContact C-CE2 3.49Å; S224-F227 VanDerWaalsContact O-CD1 3.3Å; S224-F227 WeakPolarHBondContact O-CD1 3.06Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å; S224-F227 WeakPolarHBondContact O-CZ 2.89Å; K225-F227 HydrophobicContact CB-CD2 4.45Å; K225-F227 HydrophobicContact CB-CE2 3.97Å; K225-F227 HydrophobicContact CG-CD2 4Å; K225-F227 HydrophobicContact CG-CE2 3.48Å; K225-F227 VanDerWaalsContact CG-CE2 3.48Å; K225-F227 HydrophobicContact CG-CZ 4.42Å | ||
| 228 | K | 66.6 | Low | 88.4 | Confident | 152 Ų | 152 | 32.1 Ų | 32.1 | 66% | 0.661 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -111.4 | -42.8 | -176.3 | -62.4 | -177.8 | -179.2 | 176.8 | 0 | 110.6 | H254 | K228-H254 HydrophobicContact CB-CB 3.95Å; K228-H254 PolarHBondContact O-CD2 3.32Å; K228-H254 VanDerWaalsContact O-CG 3.28Å; K228-H254 PolarHBondContact O-NE2 3.44Å; K228-H254 VanDerWaalsContact O-NE2 3.14Å |
| 229 | V | 79.3 | Confident | 88.1 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | trans | -137.1 | 129.4 | -178.5 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | P162 C248 Y251 H254 | P162-V229 WeakPolarHBondContact CD-O 3.37Å; P162-V229 HydrophobicContact CG-CB 3.67Å; P162-V229 HydrophobicContact CG-CG1 3.7Å; V229-C248 HydrophobicContact CG1-CB 4.43Å; V229-Y251 HydrophobicContact CG1-CD2 4.17Å; V229-H254 HydrophobicContact CG2-CB 3.33Å | ||
| 230 | I | 87.6 | Confident | 87.9 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | trans | -117.1 | 150.4 | 166.5 | 60.2 | 173.2 | 0 | 0 | 0 | 108.5 | W113 F141 V143 L159 F184 | W113-I230 HydrophobicContact CH2-CD1 3.65Å; W113-I230 HydrophobicContact CH2-CG1 3.76Å; W113-I230 HydrophobicContact CZ2-CD1 3.66Å; W113-I230 HydrophobicContact CZ2-CG1 3.48Å; W113-I230 VanDerWaalsContact CZ2-CG1 3.48Å; F141-I230 HydrophobicContact CE2-CD1 3.79Å; F141-I230 HydrophobicContact CZ-CD1 3.85Å; F141-I230 HydrophobicContact CZ-CG2 4.48Å; V143-I230 HydrophobicContact CG2-CD1 4.29Å; L159-I230 HydrophobicContact CD1-CD1 4.41Å; L159-I230 HydrophobicContact CD2-CD1 4.39Å; F184-I230 HydrophobicContact CE2-CG2 4.47Å | ||
| 231 | C | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.9 | 176 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | L159 V160 K246 V247 C248 | L159-C231 WeakPolarHBondContact CA-O 3.32Å; V160-C231 HydrophobicContact CG2-CB 3.95Å; V160-C231 PolarHBondContact N-O 2.99Å; V160-C231 PolarHBondContact O-N 3.01Å; C231-K246 HydrophobicContact CB-CD 4.19Å; C231-K246 HydrophobicContact CB-CG 3.79Å; C231-V247 CarbonylContact C-O 3.55Å; C231-V247 WeakPolarHBondContact CA-O 3.39Å; C231-V247 WeakPolarHBondContact CB-O 3.35Å; C231-C248 HydrophobicContact CB-CB 4.07Å; C231-C248 WeakPolarHBondContact CB-SG 3.22Å; C231-C248 WeakPolarHBondContact SG-CB 3.13Å; C231-C248 CovalentContact SG-SG 2.03Å; C231-C248 PolarHBondContact SG-SG 3.45Å |
| 232 | I | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.7 | 172.8 | -47.9 | 172.6 | 0 | 0 | 0 | 106.8 | W113 F116 F145 V157 L159 I234 K246 V247 | W113-I232 HydrophobicContact CE3-CD1 4.47Å; W113-I232 HydrophobicContact CH2-CD1 4.39Å; W113-I232 HydrophobicContact CH2-CG1 4.23Å; W113-I232 HydrophobicContact CZ3-CD1 3.71Å; W113-I232 HydrophobicContact CZ3-CG1 4.04Å; F116-I232 HydrophobicContact CB-CD1 4.11Å; F116-I232 HydrophobicContact CD1-CD1 3.71Å; F116-I232 HydrophobicContact CD2-CD1 3.42Å; F116-I232 VanDerWaalsContact CD2-CD1 3.42Å; F116-I232 HydrophobicContact CE1-CD1 3.91Å; F116-I232 HydrophobicContact CE1-CG2 4.3Å; F116-I232 HydrophobicContact CE2-CD1 3.64Å; F116-I232 HydrophobicContact CG-CD1 3.45Å; F116-I232 VanDerWaalsContact CG-CD1 3.45Å; F116-I232 HydrophobicContact CZ-CD1 3.88Å; F116-I232 HydrophobicContact CZ-CG2 4.47Å; F145-I232 HydrophobicContact CE1-CD1 4.19Å; F145-I232 HydrophobicContact CE1-CG1 4.43Å; F145-I232 HydrophobicContact CE1-CG2 4.04Å; F145-I232 HydrophobicContact CZ-CD1 4.36Å; F145-I232 HydrophobicContact CZ-CG1 4.14Å; F145-I232 HydrophobicContact CZ-CG2 4Å; V157-I232 HydrophobicContact CG1-CG2 4Å; L159-I232 HydrophobicContact CD2-CG1 4.45Å; I232-I234 HydrophobicContact CG2-CG1 4.18Å; I232-K246 CarbonylContact O-C 3.58Å; I232-K246 WeakPolarHBondContact O-CA 3.31Å; I232-V247 PolarHBondContact N-O 3.02Å; I232-V247 PolarHBondContact O-N 3.13Å |
| 233 | Y | 94.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.8 | 174.6 | -167.3 | -96.1 | 0 | 0 | 0 | 109.4 | V157 S158 V160 K164 E167 A235 V244 Q245 K246 | V157-Y233 WeakPolarHBondContact CA-O 3.43Å; S158-Y233 PolarHBondContact N-O 2.91Å; S158-Y233 PolarHBondContact O-N 3.02Å; V160-Y233 HydrophobicContact CG1-CG 4.24Å; V160-Y233 HydrophobicContact CG2-CD2 4.39Å; K164-Y233 HydrophobicContact CG-CD2 4.49Å; K164-Y233 HydrophobicContact CG-CE2 4.5Å; E167-Y233 PolarHBondContact O-OH 2.89Å; Y233-A235 HydrophobicContact CE1-CB 4.23Å; Y233-V244 HydrophobicContact CD2-CG1 4.47Å; Y233-V244 HydrophobicContact CE1-CG1 3.85Å; Y233-V244 HydrophobicContact CE2-CG1 3.59Å; Y233-V244 WeakPolarHBondContact OH-CG1 2.73Å; Y233-Q245 WeakPolarHBondContact CA-O 3.3Å; Y233-K246 HydrophobicContact CD2-CB 4.28Å |
| 234 | I | 95.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.5 | 179.8 | -57.3 | 167.8 | 0 | 0 | 0 | 107 | F116 I120 L127 I129 V157 I232 V244 Q245 | F116-I234 HydrophobicContact CE1-CD1 4.2Å; F116-I234 HydrophobicContact CZ-CD1 3.9Å; I120-I234 HydrophobicContact CD1-CG2 3.85Å; L127-I234 HydrophobicContact CD2-CG2 4.22Å; I129-I234 HydrophobicContact CD1-CB 4.45Å; I129-I234 HydrophobicContact CD1-CD1 3.65Å; I129-I234 HydrophobicContact CD1-CG1 3.86Å; I129-I234 HydrophobicContact CD1-CG2 3.73Å; V157-I234 HydrophobicContact CG1-CG1 4.5Å; I232-I234 HydrophobicContact CG2-CG1 4.18Å; I234-V244 CarbonylContact O-C 3.48Å; I234-V244 WeakPolarHBondContact O-CA 3.48Å; I234-Q245 HydrophobicContact CB-CB 4.47Å; I234-Q245 PolarHBondContact N-O 3.3Å; I234-Q245 PolarHBondContact O-N 3.41Å |
| 235 | A | 94.5 | Very high | 88 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V155 S156 Y233 Y237 V244 | V155-A235 WeakPolarHBondContact CA-O 3.2Å; S156-A235 PolarHBondContact N-O 3.41Å; S156-A235 PolarHBondContact O-N 2.92Å; S156-A235 WeakPolarHBondContact OG-CB 3.2Å; Y233-A235 HydrophobicContact CE1-CB 4.23Å; A235-Y237 HydrophobicContact CB-CD2 4.22Å; A235-Y237 HydrophobicContact CB-CE2 3.67Å; A235-V244 HydrophobicContact CB-CG2 4.44Å |
| 236 | F | 95.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 112.7 | -179.7 | 178.2 | -84.1 | 0 | 0 | 0 | 108.2 | I120 T122 L125 L127 V155 K242 L243 | I120-F236 HydrophobicContact CB-CD2 4.12Å; I120-F236 HydrophobicContact CB-CE2 4.27Å; I120-F236 HydrophobicContact CD1-CB 4.45Å; I120-F236 HydrophobicContact CG2-CB 4.48Å; I120-F236 HydrophobicContact CG2-CD1 4.06Å; I120-F236 HydrophobicContact CG2-CD2 3.7Å; I120-F236 HydrophobicContact CG2-CE1 4.17Å; I120-F236 HydrophobicContact CG2-CE2 3.79Å; I120-F236 HydrophobicContact CG2-CG 3.83Å; I120-F236 HydrophobicContact CG2-CZ 4.02Å; T122-F236 HydrophobicContact CG2-CE1 3.56Å; T122-F236 HydrophobicContact CG2-CZ 3.72Å; L125-F236 HydrophobicContact CB-CE2 4.11Å; L125-F236 HydrophobicContact CB-CZ 3.69Å; L125-F236 HydrophobicContact CD2-CD2 4.03Å; L125-F236 HydrophobicContact CD2-CE1 4.23Å; L125-F236 HydrophobicContact CD2-CE2 3.5Å; L125-F236 VanDerWaalsContact CD2-CE2 3.5Å; L125-F236 HydrophobicContact CD2-CZ 3.62Å; L125-F236 HydrophobicContact CG-CE2 3.62Å; L125-F236 HydrophobicContact CG-CZ 3.73Å; L127-F236 HydrophobicContact CB-CD2 3.86Å; L127-F236 HydrophobicContact CB-CE2 3.82Å; L127-F236 HydrophobicContact CD2-CD2 3.79Å; L127-F236 HydrophobicContact CG-CD2 4.49Å; V155-F236 HydrophobicContact CG1-CD2 4.11Å; F236-K242 CarbonylContact O-C 3.57Å; F236-K242 WeakPolarHBondContact O-CA 3.04Å; F236-L243 HydrophobicContact CB-CB 4.31Å; F236-L243 HydrophobicContact CD1-CB 4.49Å; F236-L243 PolarHBondContact N-O 3.47Å; F236-L243 PolarHBondContact O-N 3.07Å |
| 237 | Y | 94 | Very high | 89.7 | Confident | 45 Ų | 45 | 46 Ų | 46 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 88.5 | -179.6 | -67.8 | -73.4 | 0 | 0 | 0 | 109.2 | G153 N154 F168 E169 A235 K242 | G153-Y237 CarbonylContact C-O 3.57Å; G153-Y237 WeakPolarHBondContact CA-O 3.27Å; N154-Y237 PolarHBondContact N-O 3Å; N154-Y237 PolarHBondContact O-N 2.83Å; F168-Y237 WeakPolarHBondContact CA-OH 3.5Å; F168-Y237 HydrophobicContact CD1-CE1 4.04Å; E169-Y237 PolarHBondContact N-OH 2.86Å; E169-Y237 VanDerWaalsContact N-OH 3.08Å; E169-Y237 PolarHBondContact O-OH 2.86Å; A235-Y237 HydrophobicContact CB-CD2 4.22Å; A235-Y237 HydrophobicContact CB-CE2 3.67Å; Y237-K242 HydrophobicContact CD1-CB 4.05Å; Y237-K242 HydrophobicContact CD1-CD 3.76Å; Y237-K242 HydrophobicContact CD1-CG 3.8Å; Y237-K242 HydrophobicContact CE1-CB 4.35Å; Y237-K242 HydrophobicContact CE1-CD 4.06Å; Y237-K242 HydrophobicContact CE1-CG 4.4Å |
| 238 | S | 93.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 174.8 | 167.7 | -162.3 | 0 | 0 | 0 | 0 | 110.9 | L125 M152 D240 Y241 | L125-S238 VanDerWaalsContact CB-OG 3.22Å; L125-S238 WeakPolarHBondContact CB-OG 3.23Å; M152-S238 PolarHBondContact O-OG 2.87Å; S238-D240 VanDerWaalsContact C-N 3.34Å; S238-D240 WeakPolarHBondContact CB-OD1 3.38Å; S238-D240 PolarHBondContact OG-OD1 3.11Å; S238-Y241 CarbonylContact C-O 3.29Å; S238-Y241 WeakPolarHBondContact CA-O 3.23Å; S238-Y241 WeakPolarHBondContact CB-O 3.28Å; S238-Y241 PolarHBondContact N-O 2.79Å |
| 239 | V | 90.4 | Very high | 91.6 | Very high | 94 Ų | 94 | 40 Ų | 40 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -76.2 | -23.9 | 175.4 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | K124 M152 | K124-V239 HydrophobicContact CB-CG2 3.5Å; K124-V239 HydrophobicContact CD-CG2 4.37Å; K124-V239 HydrophobicContact CG-CG2 3.58Å; M152-V239 HydrophobicContact CB-CG1 4.3Å; M152-V239 HydrophobicContact CE-CG1 4.02Å; M152-V239 HydrophobicContact CE-CG2 3.89Å |
| 240 | D | 92.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -98.5 | -40.7 | -179.3 | 54.4 | -1.4 | 0 | 0 | 0 | 112.4 | T122 V123 K124 S238 | T122-D240 WeakPolarHBondContact CB-OD1 3.15Å; T122-D240 VanDerWaalsContact CB-OD2 3.28Å; T122-D240 WeakPolarHBondContact CB-OD2 3.38Å; T122-D240 PolarHBondContact OG1-OD1 3.31Å; T122-D240 PolarHBondContact OG1-OD2 2.95Å; V123-D240 PolarHBondContact N-OD2 3.07Å; K124-D240 HydrophobicContact CG-CB 4.37Å; K124-D240 PolarHBondContact N-OD2 3.05Å; S238-D240 VanDerWaalsContact C-N 3.34Å; S238-D240 WeakPolarHBondContact CB-OD1 3.38Å; S238-D240 PolarHBondContact OG-OD1 3.11Å |
| 241 | Y | 93.5 | Very high | 91.1 | Very high | 158 Ų | 158 | 41 Ų | 41 | 62% | 0.62 | 20% | 0.202 | S | C | * | . | trans | -136.3 | 153.1 | 179.7 | -64 | -87.9 | 0 | 0 | 0 | 112.7 | T122 S238 | T122-Y241 HydrophobicContact CG2-CD2 3.95Å; T122-Y241 HydrophobicContact CG2-CG 4.39Å; S238-Y241 CarbonylContact C-O 3.29Å; S238-Y241 WeakPolarHBondContact CA-O 3.23Å; S238-Y241 WeakPolarHBondContact CB-O 3.28Å; S238-Y241 PolarHBondContact N-O 2.79Å | ||
| 242 | K | 94.1 | Very high | 90.2 | Very high | 131 Ų | 131 | 47 Ų | 47 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.4 | 170.7 | -57.1 | -178.7 | 176.9 | -179.8 | 0 | 108.7 | F168 F236 Y237 | F168-K242 HydrophobicContact CD1-CB 4.02Å; F168-K242 HydrophobicContact CE1-CB 3.69Å; F236-K242 CarbonylContact O-C 3.57Å; F236-K242 WeakPolarHBondContact O-CA 3.04Å; Y237-K242 HydrophobicContact CD1-CB 4.05Å; Y237-K242 HydrophobicContact CD1-CD 3.76Å; Y237-K242 HydrophobicContact CD1-CG 3.8Å; Y237-K242 HydrophobicContact CE1-CB 4.35Å; Y237-K242 HydrophobicContact CE1-CD 4.06Å; Y237-K242 HydrophobicContact CE1-CG 4.4Å |
| 243 | L | 93.7 | Very high | 89.1 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 136.2 | 178 | 179.9 | 153.2 | 0 | 0 | 0 | 109.5 | I120 F236 Q245 | I120-L243 HydrophobicContact CD1-CD2 3.9Å; F236-L243 HydrophobicContact CB-CB 4.31Å; F236-L243 HydrophobicContact CD1-CB 4.49Å; F236-L243 PolarHBondContact N-O 3.47Å; F236-L243 PolarHBondContact O-N 3.07Å; L243-Q245 HydrophobicContact CD2-CB 3.93Å |
| 244 | V | 94 | Very high | 87.7 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.5 | 170.4 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | V166 F168 Y233 I234 A235 | V166-V244 HydrophobicContact CG1-CB 4.03Å; V166-V244 HydrophobicContact CG1-CG1 3.74Å; F168-V244 HydrophobicContact CD1-CG2 3.54Å; F168-V244 HydrophobicContact CE1-CB 4.45Å; F168-V244 HydrophobicContact CE1-CG2 3.78Å; F168-V244 HydrophobicContact CG-CG2 4.34Å; Y233-V244 HydrophobicContact CD2-CG1 4.47Å; Y233-V244 HydrophobicContact CE1-CG1 3.85Å; Y233-V244 HydrophobicContact CE2-CG1 3.59Å; Y233-V244 WeakPolarHBondContact OH-CG1 2.73Å; I234-V244 CarbonylContact O-C 3.48Å; I234-V244 WeakPolarHBondContact O-CA 3.48Å; A235-V244 HydrophobicContact CB-CG2 4.44Å |
| 245 | Q | 92.5 | Very high | 86.2 | Confident | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.7 | -178.2 | -170.6 | -179.1 | 29.5 | 0 | 0 | 110.4 | Y233 I234 L243 V247 | Y233-Q245 WeakPolarHBondContact CA-O 3.3Å; I234-Q245 HydrophobicContact CB-CB 4.47Å; I234-Q245 PolarHBondContact N-O 3.3Å; I234-Q245 PolarHBondContact O-N 3.41Å; L243-Q245 HydrophobicContact CD2-CB 3.93Å; Q245-V247 HydrophobicContact CG-CG2 3.83Å |
| 246 | K | 92.3 | Very high | 84.6 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 15% | 0.148 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.6 | 167.5 | -176.1 | -179.3 | 67.4 | 177.2 | 0 | 109.2 | V160 P162 K164 V166 C231 I232 Y233 Y259 | V160-K246 HydrophobicContact CG2-CD 4.36Å; V160-K246 HydrophobicContact CG2-CG 4.41Å; P162-K246 PolarHBondContact O-NZ 3.48Å; K164-K246 WeakPolarHBondContact O-CD 3.44Å; K164-K246 WeakPolarHBondContact O-CE 3.2Å; K164-K246 PolarHBondContact O-NZ 3.36Å; V166-K246 HydrophobicContact CG2-CB 3.46Å; V166-K246 VanDerWaalsContact CG2-CB 3.46Å; V166-K246 HydrophobicContact CG2-CD 4.43Å; C231-K246 HydrophobicContact CB-CD 4.19Å; C231-K246 HydrophobicContact CB-CG 3.79Å; I232-K246 CarbonylContact O-C 3.58Å; I232-K246 WeakPolarHBondContact O-CA 3.31Å; Y233-K246 HydrophobicContact CD2-CB 4.28Å; K246-Y259 WeakPolarHBondContact CE-OH 3.45Å; K246-Y259 PolarHBondContact O-OH 3.5Å |
| 247 | V | 91 | Very high | 83.2 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.6 | 179.1 | -174 | 0 | 0 | 0 | 0 | 108.7 | F116 C231 I232 Q245 P249 | F116-V247 HydrophobicContact CE2-CG1 4.3Å; F116-V247 HydrophobicContact CE2-CG2 4.49Å; C231-V247 CarbonylContact C-O 3.55Å; C231-V247 WeakPolarHBondContact CA-O 3.39Å; C231-V247 WeakPolarHBondContact CB-O 3.35Å; I232-V247 PolarHBondContact N-O 3.02Å; I232-V247 PolarHBondContact O-N 3.13Å; Q245-V247 HydrophobicContact CG-CG2 3.83Å; V247-P249 HydrophobicContact CG1-CG 4.21Å; V247-P249 WeakPolarHBondContact O-CD 3.18Å |
| 248 | C | 89.9 | Confident | 81.6 | Confident | 18 Ų | 18 | 72 Ų | 72 | 12% | 0.122 | 37% | 0.372 | C | S | . | . | trans | -121.4 | 85.4 | -179.6 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | V229 C231 D250 Y251 Y259 | V229-C248 HydrophobicContact CG1-CB 4.43Å; C231-C248 HydrophobicContact CB-CB 4.07Å; C231-C248 WeakPolarHBondContact CB-SG 3.22Å; C231-C248 WeakPolarHBondContact SG-CB 3.13Å; C231-C248 CovalentContact SG-SG 2.03Å; C231-C248 PolarHBondContact SG-SG 3.45Å; C248-D250 PolarHBondContact O-N 3.41Å; C248-Y251 HydrophobicContact CB-CD2 4.34Å; C248-Y251 HydrophobicContact CB-CG 4.43Å; C248-Y251 WeakPolarHBondContact O-CB 3.31Å; C248-Y251 PolarHBondContact O-N 3.47Å; C248-Y259 HydrophobicContact CB-CE2 4.24Å | ||
| 249 | P | 84.1 | Confident | 79.7 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 34% | 0.338 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -33.9 | -165.4 | -26.7 | 37.9 | 0 | 0 | 0 | 115.1 | W113 V247 | W113-P249 HydrophobicContact CB-CB 3.88Å; W113-P249 HydrophobicContact CD2-CB 3.58Å; W113-P249 HydrophobicContact CD2-CG 3.54Å; W113-P249 HydrophobicContact CE3-CB 4.18Å; W113-P249 HydrophobicContact CE3-CG 3.64Å; W113-P249 HydrophobicContact CG-CB 3.43Å; W113-P249 VanDerWaalsContact CG-CB 3.43Å; W113-P249 HydrophobicContact CG-CG 3.96Å; W113-P249 HydrophobicContact CH2-CG 4.21Å; W113-P249 HydrophobicContact CZ2-CG 4.14Å; W113-P249 HydrophobicContact CZ3-CG 3.99Å; V247-P249 HydrophobicContact CG1-CG 4.21Å; V247-P249 WeakPolarHBondContact O-CD 3.18Å |
| 250 | D | 79.7 | Confident | 78.2 | Confident | 15 Ų | 15 | 75.4 Ų | 75.4 | 8% | 0.08 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 17.6 | -179.9 | -70.9 | -28.5 | 0 | 0 | 0 | 113.5 | F111 G112 W113 C248 N252 Y253 H254 | F111-D250 WeakPolarHBondContact CA-OD2 3.49Å; G112-D250 VanDerWaalsContact CA-OD1 3.3Å; G112-D250 WeakPolarHBondContact CA-OD1 3.25Å; G112-D250 PolarHBondContact N-OD1 3.23Å; G112-D250 PolarHBondContact N-OD2 3.34Å; W113-D250 VanDerWaalsContact NE1-CG 3.27Å; W113-D250 PolarHBondContact NE1-OD2 3.03Å; C248-D250 PolarHBondContact O-N 3.41Å; D250-N252 VanDerWaalsContact C-N 3.35Å; D250-N252 PolarHBondContact O-N 2.75Å; D250-Y253 PolarHBondContact O-N 3.48Å; D250-Y253 VanDerWaalsContact O-N 3.13Å; D250-H254 PolarHBondContact O-N 3.12Å |
| 251 | Y | 76.6 | Confident | 76.4 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.8 | -48.4 | -176.2 | -173.6 | -92.1 | 0 | 0 | 0 | 112.2 | P162 V229 C248 Y253 H254 S255 T257 Y259 | P162-Y251 HydrophobicContact CB-CD2 4.27Å; P162-Y251 HydrophobicContact CB-CE2 4.08Å; V229-Y251 HydrophobicContact CG1-CD2 4.17Å; C248-Y251 HydrophobicContact CB-CD2 4.34Å; C248-Y251 HydrophobicContact CB-CG 4.43Å; C248-Y251 WeakPolarHBondContact O-CB 3.31Å; C248-Y251 PolarHBondContact O-N 3.47Å; Y251-Y253 VanDerWaalsContact C-N 3.27Å; Y251-Y253 PolarHBondContact O-N 3.27Å; Y251-H254 PolarHBondContact O-N 3.04Å; Y251-S255 VanDerWaalsContact O-CB 3.23Å; Y251-S255 WeakPolarHBondContact O-CB 3.45Å; Y251-S255 PolarHBondContact O-N 3.15Å; Y251-T257 VanDerWaalsContact CE1-O 3.29Å; Y251-T257 WeakPolarHBondContact CE1-O 3.37Å; Y251-T257 PolarHBondContact OH-OG1 3.47Å; Y251-Y259 AromaticContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CG 4.37Å; Y251-Y259 HydrophobicContact CD2-CD2 4.11Å; Y251-Y259 HydrophobicContact CE1-CD2 4.05Å; Y251-Y259 HydrophobicContact CE2-CD2 4.32Å; Y251-Y259 AromaticContact CG-CD2 3.89Å; Y251-Y259 HydrophobicContact CG-CD2 3.89Å |
| 252 | N | 71.5 | Confident | 74.1 | Confident | 127 Ų | 127 | 76 Ų | 76 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.3 | -18.8 | -178.5 | -65.4 | -22.4 | 0 | 0 | 0 | 114 | D250 H254 | D250-N252 VanDerWaalsContact C-N 3.35Å; D250-N252 PolarHBondContact O-N 2.75Å; N252-H254 VanDerWaalsContact C-N 3.33Å |
| 253 | Y | 68.8 | Low | 71.5 | Confident | 117 Ų | 117 | 75.9 Ų | 75.9 | 46% | 0.459 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -81.2 | -20.6 | 178.8 | -176.3 | -107.1 | 0 | 0 | 0 | 112 | V102 D250 Y251 | V102-Y253 HydrophobicContact CG2-CE2 4.06Å; D250-Y253 PolarHBondContact O-N 3.48Å; D250-Y253 VanDerWaalsContact O-N 3.13Å; Y251-Y253 VanDerWaalsContact C-N 3.27Å; Y251-Y253 PolarHBondContact O-N 3.27Å |
| 254 | H | 65.7 | Low | 70.4 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 31% | 0.31 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -122.4 | -10.7 | -172.3 | -73.6 | -64.3 | 0 | 0 | 0 | 114 | K228 V229 D250 Y251 N252 | K228-H254 HydrophobicContact CB-CB 3.95Å; K228-H254 PolarHBondContact O-CD2 3.32Å; K228-H254 VanDerWaalsContact O-CG 3.28Å; K228-H254 PolarHBondContact O-NE2 3.44Å; K228-H254 VanDerWaalsContact O-NE2 3.14Å; V229-H254 HydrophobicContact CG2-CB 3.33Å; D250-H254 PolarHBondContact O-N 3.12Å; Y251-H254 PolarHBondContact O-N 3.04Å; N252-H254 VanDerWaalsContact C-N 3.33Å |
| 255 | S | 62.5 | Low | 69.1 | Low | 30 Ų | 30 | 79.3 Ų | 79.3 | 21% | 0.21 | 47% | 0.473 | C | S | . | . | trans | -121.9 | 129.1 | 177.1 | -167.8 | 0 | 0 | 0 | 0 | 110.8 | Y251 T257 | Y251-S255 VanDerWaalsContact O-CB 3.23Å; Y251-S255 WeakPolarHBondContact O-CB 3.45Å; Y251-S255 PolarHBondContact O-N 3.15Å; S255-T257 VanDerWaalsContact C-N 3.28Å; S255-T257 PolarHBondContact OG-N 3.21Å; S255-T257 PolarHBondContact OG-OG1 3.05Å | ||
| 256 | D | 61.4 | Low | 67.8 | Low | 179 Ų | 179 | 79.4 Ų | 79.4 | 96% | 0.957 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -81.2 | -9.8 | 172.4 | -65.7 | -47.8 | 0 | 0 | 0 | 112.1 | ||
| 257 | T | 65.6 | Low | 66.4 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -87.7 | 138.3 | 176.4 | 60.7 | 0 | 0 | 0 | 0 | 111 | Y251 S255 | Y251-T257 VanDerWaalsContact CE1-O 3.29Å; Y251-T257 WeakPolarHBondContact CE1-O 3.37Å; Y251-T257 PolarHBondContact OH-OG1 3.47Å; S255-T257 VanDerWaalsContact C-N 3.28Å; S255-T257 PolarHBondContact OG-N 3.21Å; S255-T257 PolarHBondContact OG-OG1 3.05Å |
| 258 | P | 60.1 | Low | 64.9 | Low | 104 Ų | 104 | 84.9 Ų | 84.9 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | trans | -63.4 | 140.4 | 176.1 | 25.6 | -32.2 | 0 | 0 | 0 | 110.9 | S260 | P258-S260 PolarHBondContact O-N 3.38Š| ||
| 259 | Y | 54.8 | Low | 63.2 | Low | 86 Ų | 86 | 89.3 Ų | 89.3 | 34% | 0.337 | 54% | 0.541 | S | S | . | . | trans | -60.1 | 109.7 | 175.3 | -174.1 | -100.4 | 0 | 0 | 0 | 109.3 | K246 C248 Y251 S261 | K246-Y259 WeakPolarHBondContact CE-OH 3.45Å; K246-Y259 PolarHBondContact O-OH 3.5Å; C248-Y259 HydrophobicContact CB-CE2 4.24Å; Y251-Y259 AromaticContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CG 4.37Å; Y251-Y259 HydrophobicContact CD2-CD2 4.11Å; Y251-Y259 HydrophobicContact CE1-CD2 4.05Å; Y251-Y259 HydrophobicContact CE2-CD2 4.32Å; Y251-Y259 AromaticContact CG-CD2 3.89Å; Y251-Y259 HydrophobicContact CG-CD2 3.89Å; Y259-S261 PolarHBondContact O-N 2.91Å | ||
| 260 | S | 57.3 | Low | 61.7 | Low | 88 Ų | 88 | 92 Ų | 92 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | trans | -80.7 | 107.5 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 108 | P258 T262 | P258-S260 PolarHBondContact O-N 3.38Å; S260-T262 PolarHBondContact O-N 3.44Å | ||
| 261 | S | 54.8 | Low | 60.3 | Low | 107 Ų | 107 | 97.9 Ų | 97.9 | 75% | 0.748 | 59% | 0.593 | S | S | * | * | trans | -76.2 | 63.2 | 169.5 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | Y259 G263 | Y259-S261 PolarHBondContact O-N 2.91Å; S261-G263 PolarHBondContact O-N 3.48Å | ||
| 262 | T | 46.3 | Very low | 58.9 | Low | 120 Ų | 120 | 102.9 Ų | 102.9 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | trans | -78.9 | 104.5 | 168.8 | 2.5 | 0 | 0 | 0 | 0 | 107.2 | S260 | S260-T262 PolarHBondContact O-N 3.44Š| ||
| 263 | G | 38.5 | Very low | 57.8 | Low | 129 Ų | 129 | 100.7 Ų | 100.7 | 100% | 1.33 | 63% | 0.625 | S | S | * | * | trans | -129.2 | 0 | 168 | 0 | 0 | 0 | 0 | 0 | 108.5 | S261 | S261-G263 PolarHBondContact O-N 3.48Š|
Retrieved 263 of 263 residues in 292.8 ms
(Link to these results)