| 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 | 42.1 | Very low | 43.9 | Very low | 239 Ų | 239 | 131.3 Ų | 131.3 | 100% | 1.177 | 87% | 0.866 | S | S | * | * | 0 | 118.2 | 0 | -70.8 | 174.3 | 171.7 | 0 | 0 | 107.4 | |||||
| 2 | P | 45.9 | Very low | 44.4 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 133.4 | -178 | 33.3 | -30.7 | 0 | 0 | 0 | 111.2 | ||
| 3 | S | 40.6 | Very low | 45.2 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 119.7 | 166 | -74.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 4 | S | 42.5 | Very low | 46.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 130.8 | 179.5 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 5 | T | 48.8 | Very low | 46.8 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -90.5 | 114.6 | 162.3 | 42.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | A | 45.1 | Very low | 47.2 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -85.7 | 138.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 7 | M | 40.8 | Very low | 47.7 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -80 | 123.2 | 174.3 | -68.5 | -84.1 | -85.4 | 0 | 0 | 110.2 | ||||
| 8 | A | 41.1 | Very low | 48.2 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -97.1 | 103 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G10 | A8-G10 PolarHBondContact O-N 3.32Š| ||
| 9 | V | 44.2 | Very low | 48.6 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -82.8 | 103.8 | 171.7 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | A11 | V9-A11 PolarHBondContact O-N 3.14Š| ||
| 10 | G | 40.2 | Very low | 48.8 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -77.7 | 109.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A8 L12 | A8-G10 PolarHBondContact O-N 3.32Å; G10-L12 PolarHBondContact O-N 3.24Å | ||
| 11 | A | 51.2 | Low | 49 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -70.8 | 108 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V9 | V9-A11 PolarHBondContact O-N 3.14Š| ||
| 12 | L | 49.9 | Very low | 49.5 | Very low | 168 Ų | 168 | 111.7 Ų | 111.7 | 88% | 0.88 | 72% | 0.723 | S | S | * | * | trans | -78 | 122.9 | 174.6 | -73.4 | 172.5 | 0 | 0 | 0 | 110.6 | G10 | G10-L12 PolarHBondContact O-N 3.24Š| ||
| 13 | S | 55.3 | Low | 50.1 | Low | 72 Ų | 72 | 112.3 Ų | 112.3 | 50% | 0.503 | 72% | 0.716 | S | S | . | * | trans | -63.4 | 133.1 | -176.2 | 174.9 | 0 | 0 | 0 | 0 | 113 | S15 | S13-S15 PolarHBondContact O-N 2.03Å; S13-S15 WeakPolarHBondContact OG-CB 2.98Å; S13-S15 PolarHBondContact OG-N 3.45Å; S13-S15 PolarHBondContact OG-OG 3.05Å | ||
| 14 | S | 57.4 | Low | 50.7 | Low | 94 Ų | 94 | 111.8 Ų | 111.8 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -10.7 | 175 | -161.3 | 0 | 0 | 0 | 0 | 113.9 | L16 | S14-L16 PolarHBondContact O-N 2.67Š|
| 15 | S | 57.6 | Low | 51 | Low | 83 Ų | 83 | 109.5 Ų | 109.5 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.1 | -18.7 | -177.9 | -51.4 | 0 | 0 | 0 | 0 | 115 | S13 | S13-S15 PolarHBondContact O-N 2.03Å; S13-S15 WeakPolarHBondContact OG-CB 2.98Å; S13-S15 PolarHBondContact OG-N 3.45Å; S13-S15 PolarHBondContact OG-OG 3.05Å |
| 16 | L | 53.2 | Low | 51 | Low | 128 Ų | 128 | 109.7 Ų | 109.7 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -84.2 | -20.3 | -178.7 | -80.4 | 161.9 | 0 | 0 | 0 | 114 | S14 T19 | S14-L16 PolarHBondContact O-N 2.67Å; L16-T19 PolarHBondContact O-OG1 2.96Å |
| 17 | L | 55 | Low | 51.2 | Low | 127 Ų | 127 | 110.2 Ų | 110.2 | 67% | 0.665 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -79.3 | -34.7 | 177.9 | -70.2 | 170.2 | 0 | 0 | 0 | 111.9 | T19 C20 C21 | L17-T19 PolarHBondContact O-N 2.84Å; L17-C20 PolarHBondContact O-N 2.89Å; L17-C21 PolarHBondContact O-N 3.48Å; L17-C21 PolarHBondContact O-SG 3.42Å |
| 18 | V | 56.2 | Low | 51.4 | Low | 94 Ų | 94 | 106.2 Ų | 106.2 | 57% | 0.57 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.2 | -36.6 | -178.5 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 19 | T | 56.2 | Low | 51.9 | Low | 84 Ų | 84 | 107.1 Ų | 107.1 | 52% | 0.515 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -71.9 | -28.5 | 176.2 | 47.1 | 0 | 0 | 0 | 0 | 113 | L16 L17 | L16-T19 PolarHBondContact O-OG1 2.96Å; L17-T19 PolarHBondContact O-N 2.84Å |
| 20 | C | 52.1 | Low | 52.1 | Low | 81 Ų | 81 | 106 Ų | 106 | 55% | 0.547 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.9 | -42 | 175.2 | -163.7 | 0 | 0 | 0 | 0 | 111.8 | L17 L22 M23 | L17-C20 PolarHBondContact O-N 2.89Å; C20-L22 VanDerWaalsContact C-N 3.33Å; C20-L22 PolarHBondContact O-N 2.71Å; C20-M23 PolarHBondContact O-N 3.37Å |
| 21 | C | 54.1 | Low | 52.8 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.5 | -34.1 | 179.2 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | L17 M23 | L17-C21 PolarHBondContact O-N 3.48Å; L17-C21 PolarHBondContact O-SG 3.42Å; C21-M23 VanDerWaalsContact C-N 3.34Å; C21-M23 PolarHBondContact O-N 2.81Å |
| 22 | L | 52.4 | Low | 52.2 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70 | -28.3 | 178.7 | -78.6 | 166.7 | 0 | 0 | 0 | 113.5 | C20 | C20-L22 VanDerWaalsContact C-N 3.33Å; C20-L22 PolarHBondContact O-N 2.71Å |
| 23 | M | 57.5 | Low | 51.8 | Low | 142 Ų | 142 | 110.8 Ų | 110.8 | 70% | 0.7 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.5 | -21.8 | 179.8 | -64.7 | -63.7 | -73.6 | 0 | 0 | 113.1 | C20 C21 | C20-M23 PolarHBondContact O-N 3.37Å; C21-M23 VanDerWaalsContact C-N 3.34Å; C21-M23 PolarHBondContact O-N 2.81Å |
| 24 | V | 53.1 | Low | 51.2 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -79 | -27.6 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | L26 | V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 2.04Å |
| 25 | A | 49.9 | Very low | 50 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -13.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 26 | L | 49.6 | Very low | 49.3 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 2 | -172.8 | -70.6 | 172.5 | 0 | 0 | 0 | 115 | V24 | V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 2.04Å |
| 27 | C | 49 | Very low | 48.5 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 75% | 0.75 | 72% | 0.716 | S | S | * | * | trans | -118.7 | 39.5 | 179.2 | -72.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 28 | S | 44.4 | Very low | 47.5 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | -92.4 | 114.7 | 164.8 | -65.4 | 0 | 0 | 0 | 0 | 110 | S30 | S28-S30 PolarHBondContact O-N 3.49Š| ||
| 29 | P | 50.4 | Low | 46.6 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -72.3 | 109.2 | 173.3 | 28.6 | -32 | 0 | 0 | 0 | 110 | I31 | P29-I31 PolarHBondContact O-N 3.02Š| ||
| 30 | S | 49.3 | Very low | 45.6 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -69.6 | 119.5 | 173.6 | 39.6 | 0 | 0 | 0 | 0 | 111 | S28 P32 | S28-S30 PolarHBondContact O-N 3.49Å; S30-P32 WeakPolarHBondContact O-CD 3.18Å | ||
| 31 | I | 54.4 | Low | 44.7 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | -81.1 | 119.2 | 171.1 | -59 | 171 | 0 | 0 | 0 | 108.2 | P29 L33 | P29-I31 PolarHBondContact O-N 3.02Å; I31-L33 PolarHBondContact O-N 2.93Å | ||
| 32 | P | 39.6 | Very low | 43.7 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 112.9 | 171.3 | 31.7 | -30.1 | 0 | 0 | 0 | 109.9 | S30 | S30-P32 WeakPolarHBondContact O-CD 3.18Š| ||
| 33 | L | 41.8 | Very low | 42.9 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -104.4 | 86.5 | 178.8 | -161.9 | 177.3 | 0 | 0 | 0 | 109.3 | I31 | I31-L33 PolarHBondContact O-N 2.93Š| ||
| 34 | E | 41.4 | Very low | 41.7 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -160 | 102.5 | 166.4 | -112.6 | -163.4 | 119 | 0 | 0 | 113 | ||||
| 35 | K | 33 | Very low | 40.8 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | 169 | 119.4 | 121.7 | -95.1 | 177.4 | 176.8 | 177.9 | 0 | 112.7 | |||||
| 36 | L | 41.8 | Very low | 40 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -73.7 | 129.5 | 149.9 | -97.5 | 71 | 0 | 0 | 0 | 108.7 | ||||
| 37 | A | 38.2 | Very low | 39.2 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | 179.2 | 138.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 38 | Q | 34.1 | Very low | 38.4 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 33.2 | 115.6 | 157 | -88.1 | 68.8 | 8.9 | 0 | 0 | 120.5 | ||||
| 39 | A | 35.9 | Very low | 37.9 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 40 | P | 36.2 | Very low | 37.2 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 154.1 | 171.7 | 34.4 | -32.9 | 0 | 0 | 0 | 112.5 | ||
| 41 | E | 32 | Very low | 36.3 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 156.9 | 177.2 | -59.2 | 176.6 | 77.7 | 0 | 0 | 113.7 | ||
| 42 | Q | 34 | Very low | 35.2 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -134.1 | 151.2 | 140.3 | -82.1 | -155.7 | -2.9 | 0 | 0 | 111.3 | ||||
| 43 | P | 35.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -110 | 149.5 | -149.5 | 38.6 | -31.3 | 0 | 0 | 0 | 115.7 | ||||
| 44 | G | 31.9 | Very low | 34.3 | Very low | 71 Ų | 71 | 150.3 Ų | 150.3 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | 66 | 109.1 | 124.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 45 | Q | 35.2 | Very low | 33.8 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | -167.8 | 101.7 | 119.4 | -104.1 | 172.5 | -17.8 | 0 | 0 | 108 | |||||
| 46 | E | 32.9 | Very low | 34.6 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | 62 | 109 | 89.5 | -163 | -165.6 | 124.7 | 0 | 0 | 113.1 | |||||
| 47 | K | 32.5 | Very low | 34.1 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | 174.3 | 105.5 | 99.1 | -162 | 156.7 | -173.6 | 160.4 | 0 | 115.2 | |||||
| 48 | R | 32.6 | Very low | 33.8 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 70% | 0.698 | 78% | 0.781 | S | S | * | * | trans | 68.5 | 109.9 | 131.6 | -155.1 | 168 | -154.4 | -180 | 6.1 | 122 | ||||
| 49 | E | 32.4 | Very low | 33.9 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | 28.1 | 134.1 | 126.7 | -44.2 | 169.7 | 110.6 | 0 | 0 | 119.9 | |||||
| 50 | H | 35.7 | Very low | 33.7 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | -165.1 | 162.4 | 96.4 | -97.8 | 75.2 | 0 | 0 | 0 | 110.8 | |||||
| 51 | A | 31.8 | Very low | 33.6 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -111.5 | 169.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 52 | S | 30.6 | Very low | 33.8 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 95.1 | 125 | 141.4 | -142.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 53 | R | 33.1 | Very low | 33.7 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | 90.6 | 145 | 127.7 | -107.2 | 179.3 | 162.9 | 157.1 | -1.4 | 123.2 | |||||
| 54 | D | 30.3 | Very low | 34 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 74.7 | 134.7 | 154.2 | -72.5 | -67.6 | 0 | 0 | 0 | 121.3 | ||||
| 55 | G | 30.7 | Very low | 34.6 | Very low | 69 Ų | 69 | 147.7 Ų | 147.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -89.2 | -148.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 56 | P | 48.9 | Very low | 34.5 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | cis | -138.4 | 168.5 | 11.4 | 41.6 | -24.3 | 0 | 0 | 0 | 116.9 | ||||
| 57 | G | 30.9 | Very low | 34.7 | Very low | 71 Ų | 71 | 147.3 Ų | 147.3 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 69.8 | 128.4 | 132.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 58 | R | 33 | Very low | 34.8 | Very low | 240 Ų | 240 | 147.4 Ų | 147.4 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | -177.1 | 117.6 | 114.8 | -99.2 | -179.5 | -178.8 | -127.5 | -0.3 | 113.2 | |||||
| 59 | V | 34.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | 10.1 | 131.3 | 138.7 | -55.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 60 | N | 32.9 | Very low | 34.9 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | -165.9 | 132.6 | 94.1 | -113.6 | 19.2 | 0 | 0 | 0 | 114.1 | |||||
| 61 | E | 34.1 | Very low | 34.6 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | -63.7 | 171.7 | 154.8 | -76.2 | -175.3 | 105.8 | 0 | 0 | 111.2 | ||||
| 62 | L | 36.4 | Very low | 34.7 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | cis | -164.3 | 171.6 | 12 | -125.5 | 156.7 | 0 | 0 | 0 | 107.1 | ||||
| 63 | G | 32 | Very low | 35 | Very low | 73 Ų | 73 | 139.7 Ų | 139.7 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 136.5 | 78.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 64 | R | 40.4 | Very low | 35.3 | Very low | 244 Ų | 244 | 140.2 Ų | 140.2 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -97.8 | 167.9 | 144.9 | -90.4 | -172.1 | -178.5 | -150.5 | 2 | 107.3 | ||||
| 65 | P | 46.5 | Very low | 35.5 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | cis | -155.8 | -165.4 | 41.5 | 44.2 | -21.3 | 0 | 0 | 0 | 118.3 | ||||
| 66 | A | 32.9 | Very low | 35.7 | Very low | 89 Ų | 89 | 150 Ų | 150 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | 71.3 | 114.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 67 | R | 36.7 | Very low | 34.9 | Very low | 246 Ų | 246 | 152.6 Ų | 152.6 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | 79.8 | 119 | 73.2 | -105.2 | -169.3 | 176.5 | -178 | -1.9 | 113.2 | |||||
| 68 | D | 33.2 | Very low | 35.1 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | -163.1 | 170.7 | 126.8 | -127.3 | -52.6 | 0 | 0 | 0 | 113 | |||||
| 69 | E | 35.7 | Very low | 35.1 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -90.5 | 164.3 | -167.5 | -65.8 | -170.1 | 68.3 | 0 | 0 | 117 | ||||
| 70 | G | 32.3 | Very low | 34.9 | Very low | 78 Ų | 78 | 151.9 Ų | 151.9 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | 114.2 | 107.1 | 125.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 71 | G | 30.3 | Very low | 34.9 | Very low | 75 Ų | 75 | 147.5 Ų | 147.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | 100.2 | 132.1 | 124.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 72 | S | 32.9 | Very low | 35 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | 59.1 | 138.8 | 163.1 | -67.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 73 | G | 36.3 | Very low | 34.9 | Very low | 67 Ų | 67 | 147.4 Ų | 147.4 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | cis | 105.5 | 86.4 | 6.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 74 | R | 39.5 | Very low | 34.9 | Very low | 229 Ų | 229 | 152.7 Ų | 152.7 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -155.6 | 121.2 | 158.4 | -57.7 | -169.3 | -169.7 | -161.1 | 0.7 | 107.4 | ||||
| 75 | D | 36 | Very low | 34.7 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | 57 | 105.8 | 80.8 | -87.1 | -72.6 | 0 | 0 | 0 | 114.8 | |||||
| 76 | W | 33.5 | Very low | 34 | Very low | 261 Ų | 261 | 144 Ų | 144 | 99% | 0.989 | 83% | 0.826 | S | S | * | * | trans | -123.4 | 108.5 | 167.3 | -150.8 | -80.5 | 0 | 0 | 0 | 110 | ||||
| 77 | K | 32.9 | Very low | 34.1 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 80% | 0.796 | 84% | 0.836 | S | S | * | * | trans | -135.5 | 117.8 | -177.4 | -170 | 167.5 | -179.5 | 173.2 | 0 | 112.6 | ||||
| 78 | S | 34 | Very low | 34.2 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 67% | 0.671 | 83% | 0.83 | S | S | * | * | trans | 48.3 | 119.6 | 148.8 | -51.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 79 | K | 33.8 | Very low | 34.8 | Very low | 202 Ų | 202 | 146.2 Ų | 146.2 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | -165.8 | 114.3 | 126.1 | -103.9 | 165.9 | -179.6 | 177.8 | 0 | 107.5 | |||||
| 80 | S | 30.8 | Very low | 34.5 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | 74.9 | 109.1 | 66.9 | -61.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 81 | G | 33.2 | Very low | 34.6 | Very low | 63 Ų | 63 | 148.7 Ų | 148.7 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | 129.9 | 115.5 | 126.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 82 | R | 36.4 | Very low | 34.9 | Very low | 251 Ų | 251 | 155 Ų | 155 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | trans | 70.2 | 134.8 | 157.9 | -55 | 171.2 | -77.1 | -143.4 | 1.8 | 114.9 | ||||
| 83 | G | 33.1 | Very low | 34.9 | Very low | 69 Ų | 69 | 157.1 Ų | 157.1 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | cis | 112.5 | 104.4 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 84 | L | 33.1 | Very low | 34.8 | Very low | 184 Ų | 184 | 163.6 Ų | 163.6 | 96% | 0.963 | 83% | 0.833 | S | S | * | * | trans | 170.8 | 156.7 | 142.4 | -93.6 | 165.9 | 0 | 0 | 0 | 112.1 | ||||
| 85 | A | 35 | Very low | 34.7 | Very low | 103 Ų | 103 | 162 Ų | 162 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -55.8 | 152.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 86 | G | 32 | Very low | 34.5 | Very low | 80 Ų | 80 | 158.7 Ų | 158.7 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -169.3 | 111.2 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 87 | R | 35.1 | Very low | 34.3 | Very low | 248 Ų | 248 | 158.8 Ų | 158.8 | 94% | 0.936 | 83% | 0.83 | S | S | * | * | trans | -63.5 | 145.7 | -172.5 | -64.2 | 162 | 173 | -106.8 | 0.1 | 114.8 | ||||
| 88 | E | 39.8 | Very low | 34.1 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | -58.3 | 159.1 | 156 | -90.9 | -168.2 | 112.4 | 0 | 0 | 112.6 | ||||
| 89 | P | 44.4 | Very low | 34.2 | Very low | 124 Ų | 124 | 157 Ų | 157 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | -143.8 | 152.1 | 53.7 | 37.5 | -16.8 | 0 | 0 | 0 | 119.4 | |||||
| 90 | W | 30.7 | Very low | 34.1 | Very low | 228 Ų | 228 | 156.6 Ų | 156.6 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 154.8 | 172 | -177.5 | -93.6 | 0 | 0 | 0 | 113.4 | ||
| 91 | S | 34.7 | Very low | 34 | Very low | 89 Ų | 89 | 154.8 Ų | 154.8 | 62% | 0.622 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 154.3 | -171.8 | 46.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 92 | K | 36.7 | Very low | 34 | Very low | 209 Ų | 209 | 156 Ų | 156 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 140.3 | -179.2 | -60.7 | 166.8 | 179.3 | 173.3 | 0 | 112.4 | ||
| 93 | L | 32.2 | Very low | 33.7 | Very low | 170 Ų | 170 | 148 Ų | 148 | 89% | 0.89 | 85% | 0.845 | S | S | * | * | trans | -146 | 112.8 | 141.3 | -168.4 | 65.5 | 0 | 0 | 0 | 109.8 | ||||
| 94 | K | 34.4 | Very low | 33.7 | Very low | 204 Ų | 204 | 149.8 Ų | 149.8 | 89% | 0.887 | 85% | 0.853 | S | S | * | * | trans | -130.2 | 139.7 | 163.8 | -96.3 | -166.9 | 174.8 | -173.8 | 0 | 108.9 | ||||
| 95 | Q | 36 | Very low | 33.7 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 91% | 0.907 | 85% | 0.851 | S | S | * | * | trans | -72.5 | 152.7 | -175.9 | -68.5 | 164.1 | -47 | 0 | 0 | 111.5 | ||||
| 96 | A | 32.7 | Very low | 33.4 | Very low | 87 Ų | 87 | 151.3 Ų | 151.3 | 72% | 0.719 | 85% | 0.852 | S | S | * | * | trans | -76.9 | 152.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 97 | W | 29 | Very low | 33.4 | Very low | 262 Ų | 262 | 151.3 Ų | 151.3 | 99% | 0.992 | 85% | 0.852 | S | S | * | * | trans | -136.3 | 146.5 | 151.6 | -112.4 | 28.6 | 0 | 0 | 0 | 109 | ||||
| 98 | V | 30 | Very low | 33.3 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 72% | 0.715 | 85% | 0.845 | S | S | * | * | trans | -106.7 | 141.5 | -169.4 | 167.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 99 | S | 34.4 | Very low | 33.1 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | trans | -149.9 | 134.5 | 150.9 | -78.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 100 | Q | 33.1 | Very low | 32.4 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -90.5 | 150.5 | -178 | -65.2 | -176.8 | -1.8 | 0 | 0 | 111.5 | ||||
| 101 | G | 29.1 | Very low | 32.3 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | -161 | 124.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 102 | G | 31.6 | Very low | 32.1 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 91% | 0.907 | 85% | 0.851 | S | S | * | * | trans | -76.2 | 155.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 103 | G | 30.1 | Very low | 32.3 | Very low | 84 Ų | 84 | 144 Ų | 144 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | trans | -102.8 | 161.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 104 | A | 33.5 | Very low | 32.1 | Very low | 106 Ų | 106 | 147 Ų | 147 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | trans | -132 | 155.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 105 | K | 32.5 | Very low | 31.8 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -79 | 149.1 | -156.5 | -68.9 | -176.6 | 172.7 | -176.3 | 0 | 115.4 | ||||
| 106 | A | 30.4 | Very low | 31.5 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -78 | 150.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 107 | G | 31.6 | Very low | 31.5 | Very low | 79 Ų | 79 | 140.3 Ų | 140.3 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -127.1 | 130.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 108 | D | 32.6 | Very low | 32.1 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -91.7 | 145.3 | -172.6 | -139.1 | -67.1 | 0 | 0 | 0 | 111.2 | ||||
| 109 | L | 34.7 | Very low | 32 | Very low | 172 Ų | 172 | 136 Ų | 136 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -155 | 128.5 | 157.8 | -140.1 | 79.3 | 0 | 0 | 0 | 112.5 | ||||
| 110 | Q | 31.5 | Very low | 31.7 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | -76.9 | 138.1 | -178 | -92.2 | 174 | 16.2 | 0 | 0 | 112.4 | ||||
| 111 | V | 28.1 | Very low | 31.5 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 81% | 0.812 | S | S | * | * | 59.3 | 125.3 | 92.2 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 112 | R | 29 | Very low | 31.6 | Very low | 222 Ų | 222 | 134.5 Ų | 134.5 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -172.3 | -156.4 | 16 | -128.6 | -179.3 | 129.2 | 133.7 | 4.4 | 108.1 | ||||
| 113 | P | 41.7 | Very low | 31.5 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 60% | 0.597 | 81% | 0.808 | S | S | * | * | cis | -136 | 173.1 | -35.6 | 37.5 | -21.5 | 0 | 0 | 0 | 115.3 | ||||
| 114 | R | 28.2 | Very low | 31.4 | Very low | 234 Ų | 234 | 138.6 Ų | 138.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | 58.4 | 145.3 | 159.2 | -80.7 | 176.9 | 165.2 | 159.8 | -5 | 116.2 | ||||
| 115 | G | 27.2 | Very low | 31.3 | Very low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | cis | 166.5 | 179.8 | 8.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 116 | D | 29.9 | Very low | 31.2 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | cis | -161.2 | 152.7 | -15.3 | -80.3 | -40.2 | 0 | 0 | 0 | 106.6 | ||||
| 117 | T | 34 | Very low | 31.3 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | -77.6 | 154.5 | -176.9 | 3.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 118 | P | 41.1 | Very low | 31.4 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | -155.4 | 168.6 | 67.3 | 41.6 | -20.3 | 0 | 0 | 0 | 119.1 | |||||
| 119 | Q | 28.7 | Very low | 31.3 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | 32.1 | 139 | 136.4 | -56.8 | 159.6 | 22.5 | 0 | 0 | 121.9 | ||||
| 120 | G | 27.7 | Very low | 31.2 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 155.3 | 106.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 121 | E | 27.9 | Very low | 31.4 | Very low | 210 Ų | 210 | 131.9 Ų | 131.9 | 98% | 0.981 | 77% | 0.774 | S | S | * | * | trans | 73.9 | 168.5 | 137.6 | -62.1 | -178.5 | 109.1 | 0 | 0 | 122.1 | ||||
| 122 | A | 31.2 | Very low | 31.8 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -138.5 | -169.3 | -159.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 123 | L | 30.2 | Very low | 32.7 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | 78.6 | 151.6 | 176.9 | -49 | 171.1 | 0 | 0 | 0 | 114.6 | ||||
| 124 | A | 28.3 | Very low | 32.6 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | cis | -171.8 | 171.3 | -23.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 125 | A | 30.7 | Very low | 33.6 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 69.7 | 152.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 126 | A | 30.6 | Very low | 34.4 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -171.1 | 156.2 | -22.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 127 | A | 31.8 | Very low | 35.2 | Very low | 84 Ų | 84 | 125.2 Ų | 125.2 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | 60.7 | 160 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 128 | Q | 33.8 | Very low | 35.6 | Very low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | cis | -121.8 | 177.6 | -17.4 | -85.7 | 108.2 | 19.7 | 0 | 0 | 106.5 | ||||
| 129 | D | 30.3 | Very low | 36 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | cis | -165.2 | -178.3 | 40.1 | -143.2 | -60 | 0 | 0 | 0 | 111.6 | ||||
| 130 | A | 32.5 | Very low | 37.5 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | trans | -96 | 167.2 | -154.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 131 | I | 36.7 | Very low | 38.8 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | 151.1 | 120.6 | 128.8 | -75.3 | 154.6 | 0 | 0 | 0 | 110.5 | |||||
| 132 | G | 36.1 | Very low | 40.1 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -97.4 | 161.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 133 | P | 49.2 | Very low | 41.5 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | -139.8 | 136.7 | 92.4 | 34.6 | -18.7 | 0 | 0 | 0 | 112.6 | |||||
| 134 | E | 38.3 | Very low | 42.8 | Very low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | 96.6 | 117 | 84.6 | -165.3 | 175.2 | 120.2 | 0 | 0 | 113.8 | |||||
| 135 | L | 48.8 | Very low | 44.2 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 55.5 | 105 | 157.7 | -66 | 169.1 | 0 | 0 | 0 | 121.5 | ||||
| 136 | A | 44.3 | Very low | 45.7 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -144 | 151.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 137 | P | 47.1 | Very low | 46.9 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 145.6 | -161.8 | 29.4 | -35.7 | 0 | 0 | 0 | 113.6 | P139 | P137-P139 WeakPolarHBondContact O-CD 3.41Š|
| 138 | T | 42.8 | Very low | 48.3 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.4 | 167.2 | 44.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 139 | P | 50.3 | Low | 49.6 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 134.2 | 160.7 | -9.9 | 26.8 | 0 | 0 | 0 | 107.7 | P137 | P137-P139 WeakPolarHBondContact O-CD 3.41Š|
| 140 | E | 59.4 | Low | 50.9 | Low | 178 Ų | 178 | 132.8 Ų | 132.8 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -57 | 137.4 | 168.1 | -58.3 | -175.2 | 164.8 | 0 | 0 | 108.3 | ||
| 141 | P | 54.9 | Low | 52.3 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.6 | 177.9 | 25.8 | -32.7 | 0 | 0 | 0 | 108.1 | E143 | P141-E143 PolarHBondContact O-N 2.8Š|
| 142 | P | 55.3 | Low | 53.5 | Low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 138.9 | 171.2 | 27 | -33.7 | 0 | 0 | 0 | 107.5 | E144 | P142-E144 PolarHBondContact O-N 2.91Å; P142-E144 VanDerWaalsContact O-N 3.12Å |
| 143 | E | 61.1 | Low | 55.3 | Low | 188 Ų | 188 | 139.9 Ų | 139.9 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -30.5 | 116.7 | -175.5 | -65.1 | 177 | 153.6 | 0 | 0 | 110.6 | P141 Y145 | P141-E143 PolarHBondContact O-N 2.8Å; E143-Y145 PolarHBondContact O-N 2.8Å | ||
| 144 | E | 55.8 | Low | 56.8 | Low | 174 Ų | 174 | 135.2 Ų | 135.2 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -43.6 | 117.5 | 177.5 | 178.9 | 172.8 | -168.5 | 0 | 0 | 107.1 | P142 V146 | P142-E144 PolarHBondContact O-N 2.91Å; P142-E144 VanDerWaalsContact O-N 3.12Å; E144-V146 WeakPolarHBondContact O-CG2 2.98Å; E144-V146 PolarHBondContact O-N 3.3Å | ||
| 145 | Y | 58.1 | Low | 59.2 | Low | 174 Ų | 174 | 127.4 Ų | 127.4 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -68.1 | 84.5 | -179.7 | -180 | -95 | 0 | 0 | 0 | 106.2 | E143 Y147 | E143-Y145 PolarHBondContact O-N 2.8Å; Y145-Y147 AromaticContact CD1-CD2 3.63Å; Y145-Y147 HydrophobicContact CD1-CD2 3.63Å; Y145-Y147 AromaticContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CG 4.3Å; Y145-Y147 HydrophobicContact CE1-CD1 4.33Å; Y145-Y147 AromaticContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CE1 4.29Å; Y145-Y147 AromaticContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CG 4.03Å; Y145-Y147 AromaticContact CE1-CZ 3.93Å; Y145-Y147 PolarHBondContact O-N 2.83Å | ||
| 146 | V | 62.8 | Low | 61.1 | Low | 106 Ų | 106 | 124 Ų | 124 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | trans | -63.3 | 92.7 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 104.1 | E144 P148 | E144-V146 WeakPolarHBondContact O-CG2 2.98Å; E144-V146 PolarHBondContact O-N 3.3Å; V146-P148 VanDerWaalsContact O-CD 3.25Å; V146-P148 WeakPolarHBondContact O-CD 3.22Å | ||
| 147 | Y | 56.1 | Low | 63.1 | Low | 171 Ų | 171 | 120.8 Ų | 120.8 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | trans | -45.2 | 116.2 | 162.4 | -105.1 | -85.4 | 0 | 0 | 0 | 105.3 | Y145 D149 | Y145-Y147 AromaticContact CD1-CD2 3.63Å; Y145-Y147 HydrophobicContact CD1-CD2 3.63Å; Y145-Y147 AromaticContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CG 4.3Å; Y145-Y147 HydrophobicContact CE1-CD1 4.33Å; Y145-Y147 AromaticContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CE1 4.29Å; Y145-Y147 AromaticContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CG 4.03Å; Y145-Y147 AromaticContact CE1-CZ 3.93Å; Y145-Y147 PolarHBondContact O-N 2.83Å; Y147-D149 PolarHBondContact O-N 3.35Å; Y147-D149 VanDerWaalsContact O-N 3.11Å | ||
| 148 | P | 61.4 | Low | 65 | Low | 62 Ų | 62 | 122.2 Ų | 122.2 | 40% | 0.403 | 63% | 0.632 | S | S | . | * | trans | -54.6 | 129 | -178.4 | -25 | 33 | 0 | 0 | 0 | 107.4 | V146 Y150 | V146-P148 VanDerWaalsContact O-CD 3.25Å; V146-P148 WeakPolarHBondContact O-CD 3.22Å; P148-Y150 HydrophobicContact CB-CD2 4.17Å; P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.74Å; P148-Y150 HydrophobicContact CG-CE2 3.92Å; P148-Y150 WeakPolarHBondContact O-CD2 3.48Å; P148-Y150 PolarHBondContact O-N 2.87Å | ||
| 149 | D | 61 | Low | 67.1 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | trans | -67 | 81.6 | 175.2 | -92.4 | -47.6 | 0 | 0 | 0 | 108.6 | Y147 R151 K153 | Y147-D149 PolarHBondContact O-N 3.35Å; Y147-D149 VanDerWaalsContact O-N 3.11Å; D149-R151 PolarHBondContact O-N 3.16Å; D149-K153 WeakPolarHBondContact O-CD 2.97Å; D149-K153 WeakPolarHBondContact O-CG 2.9Å | ||
| 150 | Y | 56 | Low | 68.8 | Low | 161 Ų | 161 | 117.4 Ų | 117.4 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | trans | -66.1 | -9.6 | 169.1 | -65.1 | -73.7 | 0 | 0 | 0 | 111 | P148 G152 K153 | P148-Y150 HydrophobicContact CB-CD2 4.17Å; P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.74Å; P148-Y150 HydrophobicContact CG-CE2 3.92Å; P148-Y150 WeakPolarHBondContact O-CD2 3.48Å; P148-Y150 PolarHBondContact O-N 2.87Å; Y150-G152 PolarHBondContact O-N 2.87Å; Y150-K153 PolarHBondContact O-N 2.93Å; Y150-K153 VanDerWaalsContact O-N 3.09Å | ||
| 151 | R | 62 | Low | 70.1 | Confident | 232 Ų | 232 | 114.5 Ų | 114.5 | 88% | 0.875 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 92.9 | 177.5 | -164.9 | 178.6 | -144.4 | 166 | 7 | 110.8 | D149 | D149-R151 PolarHBondContact O-N 3.16Š|
| 152 | G | 63.2 | Low | 71.7 | Confident | 78 Ų | 78 | 113.1 Ų | 113.1 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | 8.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y150 | Y150-G152 PolarHBondContact O-N 2.87Š|
| 153 | K | 72.9 | Confident | 73.3 | Confident | 142 Ų | 142 | 109.9 Ų | 109.9 | 62% | 0.617 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -104 | 85.7 | 172.2 | -65 | -167 | -177.1 | -170.4 | 0 | 110.2 | D149 Y150 | D149-K153 WeakPolarHBondContact O-CD 2.97Å; D149-K153 WeakPolarHBondContact O-CG 2.9Å; Y150-K153 PolarHBondContact O-N 2.93Å; Y150-K153 VanDerWaalsContact O-N 3.09Å |
| 154 | G | 81.4 | Confident | 74.6 | Confident | 25 Ų | 25 | 103.3 Ų | 103.3 | 26% | 0.258 | 54% | 0.539 | S | S | . | . | S | Bend | trans | 144.1 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y163 | G154-Y163 CarbonylContact C-O 3.52Å; G154-Y163 WeakPolarHBondContact CA-O 3.44Å |
| 155 | C | 87.9 | Confident | 76.2 | Confident | 7 Ų | 7 | 98.9 Ų | 98.9 | 5% | 0.047 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.5 | -177.9 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | V162 Y163 F169 C180 | C155-V162 WeakPolarHBondContact O-CA 3.41Å; C155-Y163 PolarHBondContact N-O 2.56Å; C155-Y163 PolarHBondContact O-N 2.94Å; C155-F169 HydrophobicContact CB-CD1 4.45Å; C155-F169 HydrophobicContact CB-CE1 3.45Å; C155-F169 VanDerWaalsContact CB-CE1 3.45Å; C155-F169 HydrophobicContact CB-CE2 4.31Å; C155-F169 HydrophobicContact CB-CZ 3.36Å; C155-C180 HydrophobicContact CB-CB 3.79Å; C155-C180 WeakPolarHBondContact CB-SG 3.43Å; C155-C180 PolarHBondContact N-SG 2.94Å; C155-C180 WeakPolarHBondContact SG-CA 3.3Å; C155-C180 WeakPolarHBondContact SG-CB 3.29Å; C155-C180 CovalentContact SG-SG 2.04Å; C155-C180 PolarHBondContact SG-SG 3.19Å |
| 156 | V | 88.6 | Confident | 77.5 | Confident | 87 Ų | 87 | 93.1 Ų | 93.1 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.5 | -176.2 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | F161 V162 | V156-F161 WeakPolarHBondContact CA-O 3.03Å; V156-V162 HydrophobicContact CG2-CG2 4.28Å |
| 157 | D | 87.8 | Confident | 78.7 | Confident | 28 Ų | 28 | 92.4 Ų | 92.4 | 15% | 0.15 | 50% | 0.503 | C | S | . | . | trans | -91.2 | 175.7 | 174.1 | 75.3 | 3.5 | 0 | 0 | 0 | 112.9 | S159 G160 F161 Y163 F169 | D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 PolarHBondContact O-N 2.95Å; D157-S159 VanDerWaalsContact O-N 3.16Å; D157-S159 VanDerWaalsContact OD1-CA 3.29Å; D157-S159 WeakPolarHBondContact OD1-CA 3.06Å; D157-S159 WeakPolarHBondContact OD1-CB 3.32Å; D157-S159 PolarHBondContact OD1-N 2.73Å; D157-S159 PolarHBondContact OD1-OG 2.04Å; D157-S159 PolarHBondContact OD2-OG 3.31Å; D157-S159 VanDerWaalsContact OD2-OG 3.05Å; D157-G160 PolarHBondContact O-N 3.41Å; D157-G160 PolarHBondContact OD1-N 2.75Å; D157-F161 PolarHBondContact N-O 3.48Å; D157-F161 VanDerWaalsContact N-O 3.16Å; D157-F161 PolarHBondContact OD1-N 2.84Å; D157-Y163 HydrophobicContact CB-CE2 4.07Å; D157-F169 HydrophobicContact CB-CD2 4.21Å; D157-F169 HydrophobicContact CB-CE2 4.28Å | ||
| 158 | E | 86.4 | Confident | 80.3 | Confident | 153 Ų | 153 | 92.2 Ų | 92.2 | 72% | 0.715 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.4 | 175.8 | -74.9 | 173.2 | -176.6 | 0 | 0 | 113.7 | P171 G172 P173 | E158-P171 WeakPolarHBondContact CB-O 3.22Å; E158-P171 VanDerWaalsContact CG-O 3.29Å; E158-P171 WeakPolarHBondContact CG-O 3.02Å; E158-P171 PolarHBondContact N-O 3.12Å; E158-G172 WeakPolarHBondContact OE2-CA 3.42Å; E158-P173 VanDerWaalsContact OE2-CD 3.28Å; E158-P173 WeakPolarHBondContact OE2-CD 3.07Å |
| 159 | S | 87 | Confident | 81.5 | Confident | 98 Ų | 98 | 89.7 Ų | 89.7 | 69% | 0.685 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -11.2 | 175.1 | 84.7 | 0 | 0 | 0 | 0 | 113.4 | D157 | D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 PolarHBondContact O-N 2.95Å; D157-S159 VanDerWaalsContact O-N 3.16Å; D157-S159 VanDerWaalsContact OD1-CA 3.29Å; D157-S159 WeakPolarHBondContact OD1-CA 3.06Å; D157-S159 WeakPolarHBondContact OD1-CB 3.32Å; D157-S159 PolarHBondContact OD1-N 2.73Å; D157-S159 PolarHBondContact OD1-OG 2.04Å; D157-S159 PolarHBondContact OD2-OG 3.31Å; D157-S159 VanDerWaalsContact OD2-OG 3.05Å |
| 160 | G | 85.4 | Confident | 82.8 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | trans | 87 | 10.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D157 | D157-G160 PolarHBondContact O-N 3.41Å; D157-G160 PolarHBondContact OD1-N 2.75Å | ||
| 161 | F | 87.6 | Confident | 84.2 | Confident | 117 Ų | 117 | 80 Ų | 80 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | trans | -76.4 | 140.1 | 175.7 | -169.7 | -86.7 | 0 | 0 | 0 | 110.7 | V156 D157 Y163 | V156-F161 WeakPolarHBondContact CA-O 3.03Å; D157-F161 PolarHBondContact N-O 3.48Å; D157-F161 VanDerWaalsContact N-O 3.16Å; D157-F161 PolarHBondContact OD1-N 2.84Å; F161-Y163 HydrophobicContact CB-CE2 4.37Å; F161-Y163 HydrophobicContact CD1-CD1 4.07Å; F161-Y163 AromaticContact CD1-CD2 3.9Å; F161-Y163 HydrophobicContact CD1-CD2 3.9Å; F161-Y163 AromaticContact CD1-CE1 3.73Å; F161-Y163 HydrophobicContact CD1-CE1 3.73Å; F161-Y163 AromaticContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CG 4.16Å; F161-Y163 AromaticContact CD1-CZ 3.45Å; F161-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F161-Y163 AromaticContact CE1-CD1 3.92Å; F161-Y163 HydrophobicContact CE1-CD1 3.92Å; F161-Y163 AromaticContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE2 4.33Å; F161-Y163 HydrophobicContact CE1-CG 4.35Å; F161-Y163 AromaticContact CE1-CZ 3.93Å; F161-Y163 HydrophobicContact CG-CE2 4.39Å | ||
| 162 | V | 88.2 | Confident | 85.2 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.7 | -176.6 | -172 | 0 | 0 | 0 | 0 | 110.4 | C155 V156 | C155-V162 WeakPolarHBondContact O-CA 3.41Å; V156-V162 HydrophobicContact CG2-CG2 4.28Å |
| 163 | Y | 87.9 | Confident | 85.9 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 21% | 0.208 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.4 | 177.1 | -66.5 | -81.9 | 0 | 0 | 0 | 111.4 | G154 C155 D157 F161 E167 F169 | G154-Y163 CarbonylContact C-O 3.52Å; G154-Y163 WeakPolarHBondContact CA-O 3.44Å; C155-Y163 PolarHBondContact N-O 2.56Å; C155-Y163 PolarHBondContact O-N 2.94Å; D157-Y163 HydrophobicContact CB-CE2 4.07Å; F161-Y163 HydrophobicContact CB-CE2 4.37Å; F161-Y163 HydrophobicContact CD1-CD1 4.07Å; F161-Y163 AromaticContact CD1-CD2 3.9Å; F161-Y163 HydrophobicContact CD1-CD2 3.9Å; F161-Y163 AromaticContact CD1-CE1 3.73Å; F161-Y163 HydrophobicContact CD1-CE1 3.73Å; F161-Y163 AromaticContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CG 4.16Å; F161-Y163 AromaticContact CD1-CZ 3.45Å; F161-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F161-Y163 AromaticContact CE1-CD1 3.92Å; F161-Y163 HydrophobicContact CE1-CD1 3.92Å; F161-Y163 AromaticContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE2 4.33Å; F161-Y163 HydrophobicContact CE1-CG 4.35Å; F161-Y163 AromaticContact CE1-CZ 3.93Å; F161-Y163 HydrophobicContact CG-CE2 4.39Å; Y163-E167 WeakPolarHBondContact CA-OE2 3.31Å; Y163-F169 HydrophobicContact CD1-CB 3.6Å; Y163-F169 HydrophobicContact CD1-CG 4.27Å; Y163-F169 HydrophobicContact CD2-CB 3.52Å; Y163-F169 HydrophobicContact CD2-CD1 4.15Å; Y163-F169 AromaticContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CE2 4.02Å; Y163-F169 AromaticContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CD2-CG 3.41Å; Y163-F169 VanDerWaalsContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CE1-CB 3.55Å; Y163-F169 HydrophobicContact CE2-CB 3.47Å; Y163-F169 VanDerWaalsContact CE2-CB 3.47Å; Y163-F169 AromaticContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CD2 3.43Å; Y163-F169 VanDerWaalsContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CE2 4.36Å; Y163-F169 AromaticContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CG-CB 3.57Å; Y163-F169 HydrophobicContact CG-CD1 4.16Å; Y163-F169 HydrophobicContact CG-CD2 4.13Å; Y163-F169 AromaticContact CG-CG 3.71Å; Y163-F169 HydrophobicContact CG-CG 3.71Å; Y163-F169 VanDerWaalsContact CZ-CB 3.47Å |
| 164 | A | 89.5 | Confident | 86 | Confident | 51 Ų | 51 | 67 Ų | 67 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 157.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G166 E167 C180 | A164-G166 PolarHBondContact O-N 2.85Å; A164-E167 HydrophobicContact CB-CG 4.05Å; A164-E167 PolarHBondContact N-OE2 3.11Å; A164-E167 VanDerWaalsContact O-CB 3.32Å; A164-E167 WeakPolarHBondContact O-CB 3.41Å; A164-E167 PolarHBondContact O-N 2.89Å; A164-C180 WeakPolarHBondContact O-CB 3.22Å |
| 165 | I | 88.1 | Confident | 86.1 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 41% | 0.41 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 128.6 | 175.3 | -64.2 | 150.5 | 0 | 0 | 0 | 109.1 | E182 | I165-E182 HydrophobicContact CD1-CG 4.09Å; I165-E182 HydrophobicContact CG1-CG 4.47Å; I165-E182 HydrophobicContact CG2-CG 3.96Å |
| 166 | G | 85.6 | Confident | 86 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 55% | 0.546 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -11.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | A164 L179 C180 | A164-G166 PolarHBondContact O-N 2.85Å; G166-L179 WeakPolarHBondContact O-CD1 3.21Å; G166-C180 PolarHBondContact N-O 3.01Å |
| 167 | E | 88.4 | Confident | 86 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | trans | -79 | 152.4 | 176.1 | -63.9 | -168.4 | 134 | 0 | 0 | 112.6 | Y163 A164 C180 | Y163-E167 WeakPolarHBondContact CA-OE2 3.31Å; A164-E167 HydrophobicContact CB-CG 4.05Å; A164-E167 PolarHBondContact N-OE2 3.11Å; A164-E167 VanDerWaalsContact O-CB 3.32Å; A164-E167 WeakPolarHBondContact O-CB 3.41Å; A164-E167 PolarHBondContact O-N 2.89Å; E167-C180 PolarHBondContact O-N 3.24Å | ||
| 168 | K | 89 | Confident | 86.1 | Confident | 167 Ų | 167 | 66.3 Ų | 66.3 | 73% | 0.726 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.8 | 173.7 | -67.4 | -173 | -180 | -172.6 | 0 | 110.2 | C178 L179 | K168-C178 VanDerWaalsContact CA-O 3.3Å; K168-C178 WeakPolarHBondContact CA-O 3.44Å; K168-L179 HydrophobicContact CG-CD1 3.77Å |
| 169 | F | 88.2 | Confident | 86.3 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 4% | 0.039 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 162.4 | -178.1 | 77.5 | -72.6 | 0 | 0 | 0 | 111.8 | C155 D157 Y163 P171 P177 C178 C180 P185 | C155-F169 HydrophobicContact CB-CD1 4.45Å; C155-F169 HydrophobicContact CB-CE1 3.45Å; C155-F169 VanDerWaalsContact CB-CE1 3.45Å; C155-F169 HydrophobicContact CB-CE2 4.31Å; C155-F169 HydrophobicContact CB-CZ 3.36Å; D157-F169 HydrophobicContact CB-CD2 4.21Å; D157-F169 HydrophobicContact CB-CE2 4.28Å; Y163-F169 HydrophobicContact CD1-CB 3.6Å; Y163-F169 HydrophobicContact CD1-CG 4.27Å; Y163-F169 HydrophobicContact CD2-CB 3.52Å; Y163-F169 HydrophobicContact CD2-CD1 4.15Å; Y163-F169 AromaticContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CE2 4.02Å; Y163-F169 AromaticContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CD2-CG 3.41Å; Y163-F169 VanDerWaalsContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CE1-CB 3.55Å; Y163-F169 HydrophobicContact CE2-CB 3.47Å; Y163-F169 VanDerWaalsContact CE2-CB 3.47Å; Y163-F169 AromaticContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CD2 3.43Å; Y163-F169 VanDerWaalsContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CE2 4.36Å; Y163-F169 AromaticContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CG-CB 3.57Å; Y163-F169 HydrophobicContact CG-CD1 4.16Å; Y163-F169 HydrophobicContact CG-CD2 4.13Å; Y163-F169 AromaticContact CG-CG 3.71Å; Y163-F169 HydrophobicContact CG-CG 3.71Å; Y163-F169 VanDerWaalsContact CZ-CB 3.47Å; F169-P171 HydrophobicContact CD2-CG 4.2Å; F169-P171 HydrophobicContact CE2-CB 3.93Å; F169-P171 HydrophobicContact CE2-CG 3.6Å; F169-P171 HydrophobicContact CZ-CG 3.92Å; F169-P177 CarbonylContact O-C 3.59Å; F169-P177 WeakPolarHBondContact O-CA 3.29Å; F169-C178 HydrophobicContact CE1-CB 4.31Å; F169-C178 PolarHBondContact N-O 3.19Å; F169-C178 PolarHBondContact O-N 3.31Å; F169-C180 HydrophobicContact CD1-CB 4.41Å; F169-C180 HydrophobicContact CE1-CB 4.11Å; F169-P185 HydrophobicContact CE1-CB 4Å; F169-P185 HydrophobicContact CZ-CB 3.84Å |
| 170 | A | 88.1 | Confident | 86.5 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | trans | -107.9 | 110.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108 | G172 | A170-G172 PolarHBondContact O-N 3.46Å; A170-G172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | P | 85.3 | Confident | 86.7 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -60.3 | -24.2 | -175.7 | -23.9 | 30.1 | 0 | 0 | 0 | 114.9 | E158 F169 A175 C178 | E158-P171 WeakPolarHBondContact CB-O 3.22Å; E158-P171 VanDerWaalsContact CG-O 3.29Å; E158-P171 WeakPolarHBondContact CG-O 3.02Å; E158-P171 PolarHBondContact N-O 3.12Å; F169-P171 HydrophobicContact CD2-CG 4.2Å; F169-P171 HydrophobicContact CE2-CB 3.93Å; F169-P171 HydrophobicContact CE2-CG 3.6Å; F169-P171 HydrophobicContact CZ-CG 3.92Å; P171-A175 HydrophobicContact CB-CB 4.23Å; P171-A175 HydrophobicContact CG-CB 4.27Å; P171-C178 VanDerWaalsContact CD-SG 3.52Å; P171-C178 HydrophobicContact CG-CB 4.41Å; P171-C178 VanDerWaalsContact CG-SG 3.56Å |
| 172 | G | 83.5 | Confident | 86.6 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -165.6 | 171.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E158 A170 S174 A175 | E158-G172 WeakPolarHBondContact OE2-CA 3.42Å; A170-G172 PolarHBondContact O-N 3.46Å; A170-G172 VanDerWaalsContact O-N 3.14Å; G172-S174 PolarHBondContact O-N 2.03Å; G172-A175 WeakPolarHBondContact O-CB 3.09Å; G172-A175 PolarHBondContact O-N 2.96Å |
| 173 | P | 76.5 | Confident | 86.4 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 61% | 0.61 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -40.4 | -171.6 | 24 | -32.5 | 0 | 0 | 0 | 113.2 | E158 A175 S205 Q206 | E158-P173 VanDerWaalsContact OE2-CD 3.28Å; E158-P173 WeakPolarHBondContact OE2-CD 3.07Å; P173-A175 VanDerWaalsContact C-N 3.33Å; P173-S205 CarbonylContact C-O 3.59Å; P173-S205 VanDerWaalsContact C-O 3.24Å; P173-Q206 WeakPolarHBondContact O-CA 3.41Å |
| 174 | S | 76.3 | Confident | 86.2 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 51% | 0.51 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -4.9 | 175.2 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | G172 T204 | G172-S174 PolarHBondContact O-N 2.03Å; S174-T204 WeakPolarHBondContact CB-O 3.34Å |
| 175 | A | 82.9 | Confident | 86.1 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 26% | 0.256 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -84.5 | 146.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | P171 G172 P173 | P171-A175 HydrophobicContact CB-CB 4.23Å; P171-A175 HydrophobicContact CG-CB 4.27Å; G172-A175 WeakPolarHBondContact O-CB 3.09Å; G172-A175 PolarHBondContact O-N 2.96Å; P173-A175 VanDerWaalsContact C-N 3.33Å |
| 176 | C | 86.1 | Confident | 86.1 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 12% | 0.122 | 38% | 0.376 | C | S | . | . | trans | -79.8 | 160.4 | 175.5 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | C178 P190 C207 | C176-C178 PolarHBondContact O-N 3.18Å; C176-C178 VanDerWaalsContact O-N 3.07Å; C176-C178 PolarHBondContact O-SG 2.9Å; C176-P190 VanDerWaalsContact SG-CD 3.57Å; C176-C207 WeakPolarHBondContact CA-SG 3.24Å; C176-C207 HydrophobicContact CB-CB 3.94Å; C176-C207 WeakPolarHBondContact CB-SG 3.46Å; C176-C207 WeakPolarHBondContact SG-CB 3.41Å; C176-C207 CovalentContact SG-SG 2.04Å; C176-C207 PolarHBondContact SG-SG 2.93Å | ||
| 177 | P | 87.8 | Confident | 86.2 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | trans | -60.7 | 113.3 | 175 | -22.3 | 34 | 0 | 0 | 0 | 110.7 | F169 | F169-P177 CarbonylContact O-C 3.59Å; F169-P177 WeakPolarHBondContact O-CA 3.29Å | ||
| 178 | C | 89.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 149.8 | 178.3 | -46.7 | 0 | 0 | 0 | 0 | 110 | K168 F169 P171 C176 P185 L186 C187 | K168-C178 VanDerWaalsContact CA-O 3.3Å; K168-C178 WeakPolarHBondContact CA-O 3.44Å; F169-C178 HydrophobicContact CE1-CB 4.31Å; F169-C178 PolarHBondContact N-O 3.19Å; F169-C178 PolarHBondContact O-N 3.31Å; P171-C178 VanDerWaalsContact CD-SG 3.52Å; P171-C178 HydrophobicContact CG-CB 4.41Å; P171-C178 VanDerWaalsContact CG-SG 3.56Å; C176-C178 PolarHBondContact O-N 3.18Å; C176-C178 VanDerWaalsContact O-N 3.07Å; C176-C178 PolarHBondContact O-SG 2.9Å; C178-P185 HydrophobicContact CB-CB 4.09Å; C178-L186 WeakPolarHBondContact CA-O 3.27Å; C178-C187 HydrophobicContact CB-CB 3.96Å; C178-C187 WeakPolarHBondContact CB-SG 2.99Å; C178-C187 WeakPolarHBondContact SG-CB 3.01Å; C178-C187 CovalentContact SG-SG 2.03Å; C178-C187 PolarHBondContact SG-SG 3.49Å |
| 179 | L | 91 | Very high | 84.9 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 36% | 0.356 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.2 | 167.1 | -173.5 | 75.2 | 0 | 0 | 0 | 108.5 | G166 K168 T181 L186 | G166-L179 WeakPolarHBondContact O-CD1 3.21Å; K168-L179 HydrophobicContact CG-CD1 3.77Å; L179-T181 HydrophobicContact CD2-CG2 4.21Å; L179-T181 HydrophobicContact CG-CG2 4.47Å; L179-T181 PolarHBondContact O-N 2.97Å; L179-L186 PolarHBondContact N-O 2.04Å; L179-L186 PolarHBondContact O-N 2.03Å |
| 180 | C | 90.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.5 | 171.4 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | C155 A164 G166 E167 F169 | C155-C180 HydrophobicContact CB-CB 3.79Å; C155-C180 WeakPolarHBondContact CB-SG 3.43Å; C155-C180 PolarHBondContact N-SG 2.94Å; C155-C180 WeakPolarHBondContact SG-CA 3.3Å; C155-C180 WeakPolarHBondContact SG-CB 3.29Å; C155-C180 CovalentContact SG-SG 2.04Å; C155-C180 PolarHBondContact SG-SG 3.19Å; A164-C180 WeakPolarHBondContact O-CB 3.22Å; G166-C180 PolarHBondContact N-O 3.01Å; E167-C180 PolarHBondContact O-N 3.24Å; F169-C180 HydrophobicContact CD1-CB 4.41Å; F169-C180 HydrophobicContact CE1-CB 4.11Å |
| 181 | T | 89.3 | Confident | 84.4 | Confident | 32 Ų | 32 | 74 Ų | 74 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 172.3 | 172.7 | 73 | 0 | 0 | 0 | 0 | 110.9 | L179 E183 G184 L186 | L179-T181 HydrophobicContact CD2-CG2 4.21Å; L179-T181 HydrophobicContact CG-CG2 4.47Å; L179-T181 PolarHBondContact O-N 2.97Å; T181-E183 PolarHBondContact O-N 2.72Å; T181-E183 PolarHBondContact OG1-N 3.05Å; T181-G184 PolarHBondContact N-O 2.88Å; T181-G184 PolarHBondContact O-N 3.15Å; T181-G184 VanDerWaalsContact O-N 3.08Å; T181-G184 PolarHBondContact OG1-O 2.65Å; T181-L186 HydrophobicContact CG2-CB 4.38Å; T181-L186 HydrophobicContact CG2-CD1 3.58Å; T181-L186 HydrophobicContact CG2-CG 3.79Å |
| 182 | E | 85.6 | Confident | 84.4 | Confident | 173 Ų | 173 | 74.3 Ų | 74.3 | 81% | 0.808 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.2 | 177.6 | -56.7 | -168 | 152.9 | 0 | 0 | 113.1 | I165 | I165-E182 HydrophobicContact CD1-CG 4.09Å; I165-E182 HydrophobicContact CG1-CG 4.47Å; I165-E182 HydrophobicContact CG2-CG 3.96Å |
| 183 | E | 84.9 | Confident | 84.6 | Confident | 188 Ų | 188 | 77.9 Ų | 77.9 | 88% | 0.879 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.6 | 176.4 | -60.9 | -176.6 | 166.1 | 0 | 0 | 113.1 | T181 | T181-E183 PolarHBondContact O-N 2.72Å; T181-E183 PolarHBondContact OG1-N 3.05Å |
| 184 | G | 83.4 | Confident | 84.9 | Confident | 20 Ų | 20 | 85.1 Ų | 85.1 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | -167.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T181 L186 | T181-G184 PolarHBondContact N-O 2.88Å; T181-G184 PolarHBondContact O-N 3.15Å; T181-G184 VanDerWaalsContact O-N 3.08Å; T181-G184 PolarHBondContact OG1-O 2.65Å; G184-L186 PolarHBondContact O-N 3.4Å |
| 185 | P | 88.1 | Confident | 85.3 | Confident | 67 Ų | 67 | 84.9 Ų | 84.9 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 112.6 | 179.6 | 29.2 | -33.2 | 0 | 0 | 0 | 112.1 | F169 C178 C187 | F169-P185 HydrophobicContact CE1-CB 4Å; F169-P185 HydrophobicContact CZ-CB 3.84Å; C178-P185 HydrophobicContact CB-CB 4.09Å; P185-C187 PolarHBondContact O-N 3.47Å |
| 186 | L | 88.3 | Confident | 85.3 | Confident | 102 Ų | 102 | 87.4 Ų | 87.4 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 98.6 | 171.2 | -64.9 | -172.4 | 0 | 0 | 0 | 110.5 | C178 L179 T181 G184 | C178-L186 WeakPolarHBondContact CA-O 3.27Å; L179-L186 PolarHBondContact N-O 2.04Å; L179-L186 PolarHBondContact O-N 2.03Å; T181-L186 HydrophobicContact CG2-CB 4.38Å; T181-L186 HydrophobicContact CG2-CD1 3.58Å; T181-L186 HydrophobicContact CG2-CG 3.79Å; G184-L186 PolarHBondContact O-N 3.4Å |
| 187 | C | 86.6 | Confident | 85 | Confident | 72 Ų | 72 | 92.7 Ų | 92.7 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 102.8 | 177.5 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | C178 P185 | C178-C187 HydrophobicContact CB-CB 3.96Å; C178-C187 WeakPolarHBondContact CB-SG 2.99Å; C178-C187 WeakPolarHBondContact SG-CB 3.01Å; C178-C187 CovalentContact SG-SG 2.03Å; C178-C187 PolarHBondContact SG-SG 3.49Å; P185-C187 PolarHBondContact O-N 3.47Å |
| 188 | A | 78.6 | Confident | 84.6 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 63% | 0.628 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 128.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P190 | A188-P190 VanDerWaalsContact O-CD 3.3Å; A188-P190 WeakPolarHBondContact O-CD 3.47Å |
| 189 | Q | 72.6 | Confident | 84.4 | Confident | 162 Ų | 162 | 90.9 Ų | 90.9 | 76% | 0.757 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 118.1 | 170.4 | -173 | 173.2 | 16.4 | 0 | 0 | 108.3 | ||
| 190 | P | 81.4 | Confident | 84.2 | Confident | 55 Ų | 55 | 91.1 Ų | 91.1 | 36% | 0.357 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 163.1 | 174.9 | 31.2 | -34.5 | 0 | 0 | 0 | 110.2 | C176 A188 C192 C207 | C176-P190 VanDerWaalsContact SG-CD 3.57Å; A188-P190 VanDerWaalsContact O-CD 3.3Å; A188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-C192 PolarHBondContact O-N 3.29Å; P190-C207 VanDerWaalsContact CG-SG 3.57Å |
| 191 | E | 84.2 | Confident | 83.9 | Confident | 201 Ų | 201 | 96 Ų | 96 | 94% | 0.939 | 51% | 0.507 | S | S | * | . | trans | -69.6 | 81.9 | 175.9 | -71.8 | 157 | 164.9 | 0 | 0 | 110.3 | ||||
| 192 | C | 84.9 | Confident | 84 | Confident | 33 Ų | 33 | 97.8 Ų | 97.8 | 22% | 0.223 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 143.9 | -177.9 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | P190 R194 C208 | P190-C192 PolarHBondContact O-N 3.29Å; C192-R194 PolarHBondContact O-N 3.35Å; C192-C208 WeakPolarHBondContact CA-SG 3.27Å; C192-C208 HydrophobicContact CB-CB 3.72Å; C192-C208 WeakPolarHBondContact CB-SG 3.38Å; C192-C208 WeakPolarHBondContact SG-CA 3.49Å; C192-C208 WeakPolarHBondContact SG-CB 3.25Å; C192-C208 CovalentContact SG-SG 2.05Å; C192-C208 PolarHBondContact SG-SG 2.83Å |
| 193 | P | 86.4 | Confident | 84.1 | Confident | 86 Ų | 86 | 91.4 Ų | 91.4 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 138.7 | 179.2 | 26.4 | -35.1 | 0 | 0 | 0 | 111.2 | L195 | P193-L195 PolarHBondContact O-N 3.06Š|
| 194 | R | 83.8 | Confident | 84.2 | Confident | 246 Ų | 246 | 87 Ų | 87 | 93% | 0.928 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 123.3 | 174.5 | -64.6 | -175.3 | 68 | 173 | 0.9 | 109.7 | C192 | C192-R194 PolarHBondContact O-N 3.35Š|
| 195 | L | 85.5 | Confident | 84.2 | Confident | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 144.6 | 175.1 | -69.6 | 168.1 | 0 | 0 | 0 | 111.4 | P193 V202 P209 C211 | P193-L195 PolarHBondContact O-N 3.06Å; L195-V202 HydrophobicContact CD1-CB 4.46Å; L195-V202 HydrophobicContact CD1-CG1 3.69Å; L195-V202 HydrophobicContact CD1-CG2 3.84Å; L195-V202 HydrophobicContact CD2-CG1 4.36Å; L195-P209 HydrophobicContact CD1-CB 4.17Å; L195-P209 HydrophobicContact CD1-CG 4.21Å; L195-P209 WeakPolarHBondContact CD2-O 3.35Å; L195-C211 HydrophobicContact CD2-CB 4.13Å |
| 196 | H | 82.6 | Confident | 84.1 | Confident | 83 Ų | 83 | 90.3 Ų | 90.3 | 38% | 0.384 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.1 | 178 | -165.8 | -89.3 | 0 | 0 | 0 | 110.9 | R198 C199 | H196-R198 WeakPolarHBondContact ND1-CB 3.25Å; H196-R198 PolarHBondContact ND1-N 3.14Å; H196-R198 PolarHBondContact O-N 2.79Å; H196-R198 VanDerWaalsContact O-N 3.08Å; H196-C199 WeakPolarHBondContact O-CB 3.24Å; H196-C199 PolarHBondContact O-N 2.84Å |
| 197 | P | 80.2 | Confident | 83.9 | Confident | 130 Ų | 130 | 87 Ų | 87 | 84% | 0.844 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.1 | -178.3 | -27.4 | 35.2 | 0 | 0 | 0 | 115 | C199 | P197-C199 PolarHBondContact O-N 2.98Š|
| 198 | R | 78.4 | Confident | 83.9 | Confident | 16 Ų | 16 | 84.9 Ų | 84.9 | 6% | 0.06 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 9.3 | 173 | -58.8 | -174.7 | 91.9 | 167.2 | -0.9 | 114.8 | H196 I200 R214 K215 Y217 T227 E242 A243 N244 G245 | H196-R198 WeakPolarHBondContact ND1-CB 3.25Å; H196-R198 PolarHBondContact ND1-N 3.14Å; H196-R198 PolarHBondContact O-N 2.79Å; H196-R198 VanDerWaalsContact O-N 3.08Å; R198-I200 PolarHBondContact O-N 2.04Å; R198-R214 HydrophobicContact CB-CG 3.61Å; R198-K215 HydrophobicContact CB-CB 4.16Å; R198-K215 PolarHBondContact NE-O 3.12Å; R198-K215 PolarHBondContact NH2-O 2.99Å; R198-K215 WeakPolarHBondContact O-CB 3.02Å; R198-K215 PolarHBondContact O-N 2.85Å; R198-Y217 PolarHBondContact NH2-O 2.92Å; R198-T227 PolarHBondContact NH1-OG1 3.49Å; R198-T227 PolarHBondContact NH2-OG1 3.39Å; R198-E242 PolarHBondContact NH1-O 3.34Å; R198-A243 PolarHBondContact NH1-O 2.95Å; R198-N244 WeakPolarHBondContact CD-O 3.45Å; R198-N244 WeakPolarHBondContact CG-O 3.42Å; R198-N244 PolarHBondContact NE-O 3.41Å; R198-G245 VanDerWaalsContact NH1-N 3.19Å |
| 199 | C | 86.3 | Confident | 84.3 | Confident | 30 Ų | 30 | 83.1 Ų | 83.1 | 20% | 0.203 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.2 | -177.3 | -157.6 | 0 | 0 | 0 | 0 | 111.5 | H196 P197 H201 V202 C211 | H196-C199 WeakPolarHBondContact O-CB 3.24Å; H196-C199 PolarHBondContact O-N 2.84Å; P197-C199 PolarHBondContact O-N 2.98Å; C199-H201 PolarHBondContact SG-O 2.85Å; C199-H201 VanDerWaalsContact SG-O 3.34Å; C199-V202 HydrophobicContact CB-CG2 4.45Å; C199-C211 WeakPolarHBondContact CA-SG 3.28Å; C199-C211 HydrophobicContact CB-CB 4.02Å; C199-C211 WeakPolarHBondContact CB-SG 3.01Å; C199-C211 WeakPolarHBondContact SG-CA 3.26Å; C199-C211 WeakPolarHBondContact SG-CB 3.28Å; C199-C211 CovalentContact SG-SG 2.04Å; C199-C211 PolarHBondContact SG-SG 2.99Å |
| 200 | I | 85.7 | Confident | 85.1 | Confident | 72 Ų | 72 | 80 Ų | 80 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -50 | 172.7 | -57.5 | 176.8 | 0 | 0 | 0 | 109.2 | R198 E213 K215 Y217 | R198-I200 PolarHBondContact O-N 2.04Å; I200-E213 PolarHBondContact N-O 3.04Å; I200-K215 HydrophobicContact CD1-CB 3.86Å; I200-K215 HydrophobicContact CD1-CG 4.13Å; I200-K215 HydrophobicContact CG1-CB 3.89Å; I200-K215 HydrophobicContact CG1-CG 4.47Å; I200-Y217 HydrophobicContact CD1-CE1 4.23Å |
| 201 | H | 85.9 | Confident | 85.5 | Confident | 105 Ų | 105 | 79.7 Ų | 79.7 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 111.8 | -178.1 | -70.4 | -68.7 | 0 | 0 | 0 | 110.8 | C199 K212 E213 | C199-H201 PolarHBondContact SG-O 2.85Å; C199-H201 VanDerWaalsContact SG-O 3.34Å; H201-K212 PolarHBondContact O-N 2.87Å; H201-E213 HydrophobicContact CB-CB 4.11Å; H201-E213 IonicContact CD2-OE2 3.18Å; H201-E213 PolarHBondContact CD2-OE2 2.86Å; H201-E213 PolarHBondContact N-O 2.79Å; H201-E213 PolarHBondContact O-N 2.81Å |
| 202 | V | 89.6 | Confident | 85.6 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.418 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 128.6 | 171.4 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | L195 C199 T204 P209 Q210 | L195-V202 HydrophobicContact CD1-CB 4.46Å; L195-V202 HydrophobicContact CD1-CG1 3.69Å; L195-V202 HydrophobicContact CD1-CG2 3.84Å; L195-V202 HydrophobicContact CD2-CG1 4.36Å; C199-V202 HydrophobicContact CB-CG2 4.45Å; V202-T204 HydrophobicContact CG1-CG2 4.12Å; V202-P209 HydrophobicContact CG1-CB 3.7Å; V202-Q210 CarbonylContact C-O 3.48Å; V202-Q210 WeakPolarHBondContact CA-O 3.01Å |
| 203 | D | 89.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 80.9 Ų | 80.9 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.9 | 172.6 | -158.4 | -32.2 | 0 | 0 | 0 | 108.8 | S205 P209 Q210 K212 | D203-S205 WeakPolarHBondContact OD1-CB 3.3Å; D203-S205 PolarHBondContact OD1-N 3.38Å; D203-S205 VanDerWaalsContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 2.9Å; D203-P209 WeakPolarHBondContact O-CA 3.39Å; D203-Q210 PolarHBondContact N-O 2.8Å; D203-Q210 PolarHBondContact O-N 2.77Å; D203-K212 HydrophobicContact CB-CB 4.28Å; D203-K212 HydrophobicContact CB-CD 4.37Å; D203-K212 IonicContact OD2-NZ 2.87Å; D203-K212 PolarHBondContact OD2-NZ 2.73Å |
| 204 | T | 85.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 82.2 Ų | 82.2 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | trans | -110.1 | 19.3 | 179.1 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | S174 V202 Q206 P209 | S174-T204 WeakPolarHBondContact CB-O 3.34Å; V202-T204 HydrophobicContact CG1-CG2 4.12Å; T204-Q206 PolarHBondContact O-N 3.47Å; T204-P209 HydrophobicContact CG2-CB 4.37Å | ||
| 205 | S | 85 | Confident | 85.5 | Confident | 61 Ų | 61 | 73 Ų | 73 | 43% | 0.427 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -71.6 | -4.9 | 175.9 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | P173 D203 | P173-S205 CarbonylContact C-O 3.59Å; P173-S205 VanDerWaalsContact C-O 3.24Å; D203-S205 WeakPolarHBondContact OD1-CB 3.3Å; D203-S205 PolarHBondContact OD1-N 3.38Å; D203-S205 VanDerWaalsContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 2.9Å |
| 206 | Q | 84.4 | Confident | 85.5 | Confident | 95 Ų | 95 | 73.8 Ų | 73.8 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -127.4 | 155.2 | 178.7 | -66.6 | 170.9 | 60.3 | 0 | 0 | 109.6 | P173 T204 C208 | P173-Q206 WeakPolarHBondContact O-CA 3.41Å; T204-Q206 PolarHBondContact O-N 3.47Å; Q206-C208 PolarHBondContact O-N 3.06Å; Q206-C208 VanDerWaalsContact O-N 3.09Å |
| 207 | C | 84.4 | Confident | 85.8 | Confident | 32 Ų | 32 | 74 Ų | 74 | 22% | 0.216 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -38 | -47.1 | 172.4 | 163 | 0 | 0 | 0 | 0 | 115.2 | C176 P190 | C176-C207 WeakPolarHBondContact CA-SG 3.24Å; C176-C207 HydrophobicContact CB-CB 3.94Å; C176-C207 WeakPolarHBondContact CB-SG 3.46Å; C176-C207 WeakPolarHBondContact SG-CB 3.41Å; C176-C207 CovalentContact SG-SG 2.04Å; C176-C207 PolarHBondContact SG-SG 2.93Å; P190-C207 VanDerWaalsContact CG-SG 3.57Å |
| 208 | C | 87.3 | Confident | 86.4 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -104.4 | 130.2 | 174.9 | -71.9 | 0 | 0 | 0 | 0 | 110.4 | C192 Q206 | C192-C208 WeakPolarHBondContact CA-SG 3.27Å; C192-C208 HydrophobicContact CB-CB 3.72Å; C192-C208 WeakPolarHBondContact CB-SG 3.38Å; C192-C208 WeakPolarHBondContact SG-CA 3.49Å; C192-C208 WeakPolarHBondContact SG-CB 3.25Å; C192-C208 CovalentContact SG-SG 2.05Å; C192-C208 PolarHBondContact SG-SG 2.83Å; Q206-C208 PolarHBondContact O-N 3.06Å; Q206-C208 VanDerWaalsContact O-N 3.09Å |
| 209 | P | 87.5 | Confident | 87 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 25% | 0.253 | 37% | 0.369 | S | S | . | . | trans | -68.4 | 136.8 | -179 | 29.8 | -35.6 | 0 | 0 | 0 | 110.6 | L195 V202 D203 T204 | L195-P209 HydrophobicContact CD1-CB 4.17Å; L195-P209 HydrophobicContact CD1-CG 4.21Å; L195-P209 WeakPolarHBondContact CD2-O 3.35Å; V202-P209 HydrophobicContact CG1-CB 3.7Å; D203-P209 WeakPolarHBondContact O-CA 3.39Å; T204-P209 HydrophobicContact CG2-CB 4.37Å | ||
| 210 | Q | 88.4 | Confident | 87.3 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.8 | 178.9 | -67.5 | -174.1 | -13.8 | 0 | 0 | 110.9 | V202 D203 K212 | V202-Q210 CarbonylContact C-O 3.48Å; V202-Q210 WeakPolarHBondContact CA-O 3.01Å; D203-Q210 PolarHBondContact N-O 2.8Å; D203-Q210 PolarHBondContact O-N 2.77Å; Q210-K212 PolarHBondContact O-N 2.9Å |
| 211 | C | 89.4 | Confident | 87.6 | Confident | 49 Ų | 49 | 78.1 Ų | 78.1 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 113.3 | 173.7 | -168.8 | 0 | 0 | 0 | 0 | 110.3 | L195 C199 E213 | L195-C211 HydrophobicContact CD2-CB 4.13Å; C199-C211 WeakPolarHBondContact CA-SG 3.28Å; C199-C211 HydrophobicContact CB-CB 4.02Å; C199-C211 WeakPolarHBondContact CB-SG 3.01Å; C199-C211 WeakPolarHBondContact SG-CA 3.26Å; C199-C211 WeakPolarHBondContact SG-CB 3.28Å; C199-C211 CovalentContact SG-SG 2.04Å; C199-C211 PolarHBondContact SG-SG 2.99Å; C211-E213 PolarHBondContact SG-O 2.96Å |
| 212 | K | 87.7 | Confident | 87.8 | Confident | 156 Ų | 156 | 76.4 Ų | 76.4 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -35.8 | -179 | -170.1 | 169.8 | -160.3 | 151.4 | 0 | 112.6 | H201 D203 Q210 | H201-K212 PolarHBondContact O-N 2.87Å; D203-K212 HydrophobicContact CB-CB 4.28Å; D203-K212 HydrophobicContact CB-CD 4.37Å; D203-K212 IonicContact OD2-NZ 2.87Å; D203-K212 PolarHBondContact OD2-NZ 2.73Å; Q210-K212 PolarHBondContact O-N 2.9Å |
| 213 | E | 84.7 | Confident | 87.9 | Confident | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.9 | 175.6 | -171 | 171.8 | -177 | 0 | 0 | 111.3 | I200 H201 C211 | I200-E213 PolarHBondContact N-O 3.04Å; H201-E213 HydrophobicContact CB-CB 4.11Å; H201-E213 IonicContact CD2-OE2 3.18Å; H201-E213 PolarHBondContact CD2-OE2 2.86Å; H201-E213 PolarHBondContact N-O 2.79Å; H201-E213 PolarHBondContact O-N 2.81Å; C211-E213 PolarHBondContact SG-O 2.96Å |
| 214 | R | 84.3 | Confident | 88.1 | Confident | 115 Ų | 115 | 82.2 Ų | 82.2 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.6 | 176.4 | -168.3 | 178 | 67.6 | -177.8 | -2.7 | 109.4 | R198 N216 | R198-R214 HydrophobicContact CB-CG 3.61Å; R214-N216 PolarHBondContact O-N 2.02Å; R214-N216 VanDerWaalsContact O-N 3.09Å; R214-N216 PolarHBondContact O-ND2 3.31Å |
| 215 | K | 83.8 | Confident | 88.4 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | trans | -53 | 117.6 | 170.5 | -161.8 | -175.7 | -174.8 | 175.1 | 0 | 108.2 | R198 I200 Y217 | R198-K215 HydrophobicContact CB-CB 4.16Å; R198-K215 PolarHBondContact NE-O 3.12Å; R198-K215 PolarHBondContact NH2-O 2.99Å; R198-K215 WeakPolarHBondContact O-CB 3.02Å; R198-K215 PolarHBondContact O-N 2.85Å; I200-K215 HydrophobicContact CD1-CB 3.86Å; I200-K215 HydrophobicContact CD1-CG 4.13Å; I200-K215 HydrophobicContact CG1-CB 3.89Å; I200-K215 HydrophobicContact CG1-CG 4.47Å; K215-Y217 HydrophobicContact CD-CE1 4.49Å; K215-Y217 HydrophobicContact CD-CE2 4.32Å; K215-Y217 WeakPolarHBondContact CD-O 3.23Å; K215-Y217 VanDerWaalsContact CE-CD2 3.5Å; K215-Y217 VanDerWaalsContact CE-CZ 3.46Å; K215-Y217 WeakPolarHBondContact CE-O 3.46Å; K215-Y217 HydrophobicContact CG-CD1 3.79Å; K215-Y217 HydrophobicContact CG-CD2 4.38Å; K215-Y217 HydrophobicContact CG-CE1 3.61Å; K215-Y217 HydrophobicContact CG-CE2 4.26Å; K215-Y217 HydrophobicContact CG-CG 4.17Å; K215-Y217 WeakPolarHBondContact CG-O 3.12Å | ||
| 216 | N | 85.3 | Confident | 88.8 | Confident | 83 Ų | 83 | 82 Ų | 82 | 44% | 0.444 | 40% | 0.403 | S | S | . | . | trans | -106.7 | 13.6 | 177.1 | -66.8 | -42.5 | 0 | 0 | 0 | 112.3 | R214 T227 | R214-N216 PolarHBondContact O-N 2.02Å; R214-N216 VanDerWaalsContact O-N 3.09Å; R214-N216 PolarHBondContact O-ND2 3.31Å; N216-T227 WeakPolarHBondContact O-CB 3.41Å; N216-T227 PolarHBondContact O-N 3.29Å; N216-T227 PolarHBondContact O-OG1 2.93Å | ||
| 217 | Y | 89.1 | Confident | 89.2 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 34% | 0.341 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 159.1 | 173.8 | 62.4 | -82.4 | 0 | 0 | 0 | 110.7 | R198 I200 K215 T224 Y225 | R198-Y217 PolarHBondContact NH2-O 2.92Å; I200-Y217 HydrophobicContact CD1-CE1 4.23Å; K215-Y217 HydrophobicContact CD-CE1 4.49Å; K215-Y217 HydrophobicContact CD-CE2 4.32Å; K215-Y217 WeakPolarHBondContact CD-O 3.23Å; K215-Y217 VanDerWaalsContact CE-CD2 3.5Å; K215-Y217 VanDerWaalsContact CE-CZ 3.46Å; K215-Y217 WeakPolarHBondContact CE-O 3.46Å; K215-Y217 HydrophobicContact CG-CD1 3.79Å; K215-Y217 HydrophobicContact CG-CD2 4.38Å; K215-Y217 HydrophobicContact CG-CE1 3.61Å; K215-Y217 HydrophobicContact CG-CE2 4.26Å; K215-Y217 HydrophobicContact CG-CG 4.17Å; K215-Y217 WeakPolarHBondContact CG-O 3.12Å; Y217-T224 HydrophobicContact CD2-CG2 3.79Å; Y217-T224 HydrophobicContact CE2-CG2 3.94Å; Y217-Y225 CarbonylContact C-O 3.56Å; Y217-Y225 WeakPolarHBondContact CA-O 3.01Å; Y217-Y225 VanDerWaalsContact CB-O 3.27Å; Y217-Y225 WeakPolarHBondContact CB-O 3.36Å |
| 218 | C | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 163 | 165.7 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | T224 Y225 C241 G245 E246 V247 | C218-T224 VanDerWaalsContact O-CA 3.31Å; C218-T224 WeakPolarHBondContact O-CA 3.5Å; C218-Y225 PolarHBondContact N-O 2.81Å; C218-Y225 PolarHBondContact O-N 3.3Å; C218-C241 HydrophobicContact CB-CB 3.67Å; C218-C241 WeakPolarHBondContact CB-SG 3.36Å; C218-C241 PolarHBondContact N-SG 2.75Å; C218-C241 WeakPolarHBondContact SG-CA 3.09Å; C218-C241 WeakPolarHBondContact SG-CB 3.38Å; C218-C241 CovalentContact SG-SG 2.02Å; C218-C241 PolarHBondContact SG-SG 3.08Å; C218-G245 VanDerWaalsContact SG-C 3.5Å; C218-G245 PolarHBondContact SG-O 3.3Å; C218-E246 PolarHBondContact SG-O 3.31Å; C218-E246 VanDerWaalsContact SG-O 3.38Å; C218-V247 HydrophobicContact CB-CG2 3.48Å; C218-V247 VanDerWaalsContact CB-CG2 3.48Å |
| 219 | E | 91.2 | Very high | 89.8 | Confident | 120 Ų | 120 | 84.9 Ų | 84.9 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.4 | 175.4 | -171.9 | -179.9 | 164.6 | 0 | 0 | 108.8 | K223 | E219-K223 CarbonylContact C-O 3.58Å; E219-K223 WeakPolarHBondContact CA-O 3.05Å |
| 220 | F | 93.1 | Very high | 90.2 | Very high | 42 Ų | 42 | 88 Ų | 88 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 125 | -175.4 | -176.1 | -96.4 | 0 | 0 | 0 | 110.2 | G222 K223 Y225 F231 V233 V247 | F220-G222 PolarHBondContact O-N 3.26Å; F220-G222 VanDerWaalsContact O-N 3.12Å; F220-K223 PolarHBondContact N-O 3.48Å; F220-K223 PolarHBondContact O-N 2.88Å; F220-Y225 HydrophobicContact CB-CD2 4.16Å; F220-Y225 HydrophobicContact CB-CE2 3.99Å; F220-F231 HydrophobicContact CB-CZ 4.06Å; F220-F231 AromaticContact CD1-CE2 3.58Å; F220-F231 HydrophobicContact CD1-CE2 3.58Å; F220-F231 AromaticContact CD1-CZ 3.83Å; F220-F231 HydrophobicContact CD1-CZ 3.83Å; F220-F231 AromaticContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CZ 4.45Å; F220-F231 HydrophobicContact CG-CE2 4.22Å; F220-F231 AromaticContact CG-CZ 3.99Å; F220-F231 HydrophobicContact CG-CZ 3.99Å; F220-V233 HydrophobicContact CD1-CG2 4.47Å; F220-V233 HydrophobicContact CE1-CG1 4.24Å; F220-V233 HydrophobicContact CE1-CG2 3.69Å; F220-V233 HydrophobicContact CZ-CG2 4.38Å; F220-V247 HydrophobicContact CB-CG2 4.08Å; F220-V247 HydrophobicContact CD2-CB 4.09Å; F220-V247 HydrophobicContact CD2-CG1 3.88Å; F220-V247 HydrophobicContact CD2-CG2 4.4Å; F220-V247 HydrophobicContact CE2-CG1 4.25Å; F220-V247 HydrophobicContact CG-CG1 4.28Å |
| 221 | R | 91.9 | Very high | 90.5 | Very high | 173 Ų | 173 | 84.1 Ų | 84.1 | 65% | 0.653 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 39.6 | -176.6 | -57.1 | -175.8 | -168.8 | -176.4 | 10.4 | 113.2 | K223 V233 E237 | R221-K223 VanDerWaalsContact C-N 3.35Å; R221-K223 PolarHBondContact O-N 3.39Å; R221-V233 VanDerWaalsContact CZ-CG1 3.43Å; R221-V233 VanDerWaalsContact NH1-CG1 3.31Å; R221-E237 IonicContact CZ-OE1 2.77Å; R221-E237 IonicContact CZ-OE2 3.88Å; R221-E237 IonicContact NH2-OE1 2.92Å; R221-E237 PolarHBondContact NH2-OE1 3.36Å; R221-E237 IonicContact NH2-OE2 2.79Å; R221-E237 PolarHBondContact NH2-OE2 2.81Å |
| 222 | G | 90.8 | Very high | 90.6 | Very high | 69 Ų | 69 | 86 Ų | 86 | 71% | 0.711 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 10.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | F220 | F220-G222 PolarHBondContact O-N 3.26Å; F220-G222 VanDerWaalsContact O-N 3.12Å |
| 223 | K | 91.9 | Very high | 90.8 | Very high | 135 Ų | 135 | 80.6 Ų | 80.6 | 59% | 0.587 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.4 | 173 | -65.2 | -179.8 | 179.3 | -179.3 | 0 | 110.4 | E219 F220 R221 Y225 | E219-K223 CarbonylContact C-O 3.58Å; E219-K223 WeakPolarHBondContact CA-O 3.05Å; F220-K223 PolarHBondContact N-O 3.48Å; F220-K223 PolarHBondContact O-N 2.88Å; R221-K223 VanDerWaalsContact C-N 3.35Å; R221-K223 PolarHBondContact O-N 3.39Å; K223-Y225 HydrophobicContact CB-CD2 4.43Å; K223-Y225 HydrophobicContact CB-CE2 3.63Å; K223-Y225 WeakPolarHBondContact CD-OH 3.44Å |
| 224 | T | 92.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 77.9 Ų | 77.9 | 59% | 0.589 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.5 | 175.3 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | Y217 C218 | Y217-T224 HydrophobicContact CD2-CG2 3.79Å; Y217-T224 HydrophobicContact CE2-CG2 3.94Å; C218-T224 VanDerWaalsContact O-CA 3.31Å; C218-T224 WeakPolarHBondContact O-CA 3.5Å |
| 225 | Y | 93.2 | Very high | 91.5 | Very high | 32 Ų | 32 | 75.5 Ų | 75.5 | 13% | 0.125 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.7 | -179.1 | -63.6 | -85.1 | 0 | 0 | 0 | 109.9 | Y217 C218 F220 K223 E229 F231 | Y217-Y225 CarbonylContact C-O 3.56Å; Y217-Y225 WeakPolarHBondContact CA-O 3.01Å; Y217-Y225 VanDerWaalsContact CB-O 3.27Å; Y217-Y225 WeakPolarHBondContact CB-O 3.36Å; C218-Y225 PolarHBondContact N-O 2.81Å; C218-Y225 PolarHBondContact O-N 3.3Å; F220-Y225 HydrophobicContact CB-CD2 4.16Å; F220-Y225 HydrophobicContact CB-CE2 3.99Å; K223-Y225 HydrophobicContact CB-CD2 4.43Å; K223-Y225 HydrophobicContact CB-CE2 3.63Å; K223-Y225 WeakPolarHBondContact CD-OH 3.44Å; Y225-E229 WeakPolarHBondContact CD1-OE1 3.37Å; Y225-F231 HydrophobicContact CD1-CB 4.03Å; Y225-F231 AromaticContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD2 4.33Å; Y225-F231 AromaticContact CD1-CE1 3.77Å; Y225-F231 HydrophobicContact CD1-CE1 3.77Å; Y225-F231 AromaticContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CZ 4.38Å; Y225-F231 HydrophobicContact CD2-CD1 4.16Å; Y225-F231 AromaticContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE2 4.3Å; Y225-F231 AromaticContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CE1-CB 3.58Å; Y225-F231 AromaticContact CE1-CD1 3.55Å; Y225-F231 HydrophobicContact CE1-CD1 3.55Å; Y225-F231 AromaticContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CE1 4.04Å; Y225-F231 HydrophobicContact CE1-CE2 4.12Å; Y225-F231 AromaticContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CZ 4.28Å; Y225-F231 HydrophobicContact CE2-CD1 4.33Å; Y225-F231 HydrophobicContact CE2-CD2 4.13Å; Y225-F231 AromaticContact CE2-CE1 3.98Å; Y225-F231 HydrophobicContact CE2-CE1 3.98Å; Y225-F231 AromaticContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CG 4.39Å; Y225-F231 AromaticContact CE2-CZ 3.65Å; Y225-F231 HydrophobicContact CE2-CZ 3.65Å; Y225-F231 AromaticContact CG-CD1 3.68Å; Y225-F231 HydrophobicContact CG-CD1 3.68Å; Y225-F231 AromaticContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CG 4.32Å; Y225-F231 HydrophobicContact CG-CZ 4.11Å; Y225-F231 AromaticContact CZ-CD2 3.52Å; Y225-F231 AromaticContact CZ-CE2 3.62Å; Y225-F231 AromaticContact CZ-CG 3.71Å; Y225-F231 AromaticContact CZ-CZ 3.91Å |
| 226 | Q | 92.7 | Very high | 91.9 | Very high | 121 Ų | 121 | 74.6 Ų | 74.6 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 155.4 | 179.5 | -63.8 | -62.2 | -20.4 | 0 | 0 | 112 | L228 E229 C241 | Q226-L228 PolarHBondContact O-N 2.82Å; Q226-E229 HydrophobicContact CB-CB 4.29Å; Q226-E229 PolarHBondContact N-OE2 2.76Å; Q226-E229 WeakPolarHBondContact O-CB 3.49Å; Q226-E229 PolarHBondContact O-N 2.91Å; Q226-C241 WeakPolarHBondContact O-CB 3.35Å; Q226-C241 PolarHBondContact O-SG 2.8Å |
| 227 | T | 92.1 | Very high | 92.3 | Very high | 45 Ų | 45 | 72.2 Ų | 72.2 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 131.3 | 175.7 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | R198 N216 E229 A243 | R198-T227 PolarHBondContact NH1-OG1 3.49Å; R198-T227 PolarHBondContact NH2-OG1 3.39Å; N216-T227 WeakPolarHBondContact O-CB 3.41Å; N216-T227 PolarHBondContact O-N 3.29Å; N216-T227 PolarHBondContact O-OG1 2.93Å; T227-E229 VanDerWaalsContact C-N 3.27Å; T227-E229 PolarHBondContact O-N 3.36Å; T227-A243 HydrophobicContact CG2-CB 4.23Å |
| 228 | L | 91.8 | Very high | 92.6 | Very high | 91 Ų | 91 | 73.3 Ų | 73.3 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 2.7 | -171.7 | -49.3 | 178.3 | 0 | 0 | 0 | 116.4 | Q226 E230 C241 | Q226-L228 PolarHBondContact O-N 2.82Å; L228-E230 PolarHBondContact O-N 3.08Å; L228-C241 WeakPolarHBondContact CA-O 3.45Å; L228-C241 PolarHBondContact N-O 2.92Å |
| 229 | E | 93.9 | Very high | 92.8 | Very high | 77 Ų | 77 | 73.4 Ų | 73.4 | 36% | 0.36 | 38% | 0.38 | S | S | . | . | trans | -66.8 | 128.5 | 174.1 | -168.8 | 179.7 | 156.3 | 0 | 0 | 110.9 | Y225 Q226 T227 R240 C241 | Y225-E229 WeakPolarHBondContact CD1-OE1 3.37Å; Q226-E229 HydrophobicContact CB-CB 4.29Å; Q226-E229 PolarHBondContact N-OE2 2.76Å; Q226-E229 WeakPolarHBondContact O-CB 3.49Å; Q226-E229 PolarHBondContact O-N 2.91Å; T227-E229 VanDerWaalsContact C-N 3.27Å; T227-E229 PolarHBondContact O-N 3.36Å; E229-R240 WeakPolarHBondContact O-CA 3.21Å; E229-C241 PolarHBondContact O-N 3.48Å | ||
| 230 | E | 94.4 | Very high | 93 | Very high | 105 Ų | 105 | 72.4 Ų | 72.4 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.4 | 171.7 | -165.1 | -167.5 | -177.2 | 0 | 0 | 109.6 | L228 R238 C239 R240 | L228-E230 PolarHBondContact O-N 3.08Å; E230-R238 IonicContact OE1-CZ 2.84Å; E230-R238 IonicContact OE1-NE 3.99Å; E230-R238 PolarHBondContact OE1-NE 2.76Å; E230-R238 IonicContact OE1-NH2 3.57Å; E230-R238 PolarHBondContact OE1-NH2 3.48Å; E230-R238 IonicContact OE2-CZ 3.81Å; E230-R238 IonicContact OE2-NH2 2.81Å; E230-R238 PolarHBondContact OE2-NH2 2.7Å; E230-C239 CarbonylContact C-O 3.54Å; E230-C239 WeakPolarHBondContact CA-O 3Å; E230-C239 WeakPolarHBondContact CG-O 3.03Å; E230-R240 HydrophobicContact CB-CG 4.5Å; E230-R240 HydrophobicContact CG-CB 4.48Å |
| 231 | F | 94.2 | Very high | 93 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.9 | -177.9 | 60.4 | -87.8 | 0 | 0 | 0 | 111.7 | F220 Y225 V233 C239 V247 | F220-F231 HydrophobicContact CB-CZ 4.06Å; F220-F231 AromaticContact CD1-CE2 3.58Å; F220-F231 HydrophobicContact CD1-CE2 3.58Å; F220-F231 AromaticContact CD1-CZ 3.83Å; F220-F231 HydrophobicContact CD1-CZ 3.83Å; F220-F231 AromaticContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CZ 4.45Å; F220-F231 HydrophobicContact CG-CE2 4.22Å; F220-F231 AromaticContact CG-CZ 3.99Å; F220-F231 HydrophobicContact CG-CZ 3.99Å; Y225-F231 HydrophobicContact CD1-CB 4.03Å; Y225-F231 AromaticContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD2 4.33Å; Y225-F231 AromaticContact CD1-CE1 3.77Å; Y225-F231 HydrophobicContact CD1-CE1 3.77Å; Y225-F231 AromaticContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CZ 4.38Å; Y225-F231 HydrophobicContact CD2-CD1 4.16Å; Y225-F231 AromaticContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE2 4.3Å; Y225-F231 AromaticContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CE1-CB 3.58Å; Y225-F231 AromaticContact CE1-CD1 3.55Å; Y225-F231 HydrophobicContact CE1-CD1 3.55Å; Y225-F231 AromaticContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CE1 4.04Å; Y225-F231 HydrophobicContact CE1-CE2 4.12Å; Y225-F231 AromaticContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CZ 4.28Å; Y225-F231 HydrophobicContact CE2-CD1 4.33Å; Y225-F231 HydrophobicContact CE2-CD2 4.13Å; Y225-F231 AromaticContact CE2-CE1 3.98Å; Y225-F231 HydrophobicContact CE2-CE1 3.98Å; Y225-F231 AromaticContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CG 4.39Å; Y225-F231 AromaticContact CE2-CZ 3.65Å; Y225-F231 HydrophobicContact CE2-CZ 3.65Å; Y225-F231 AromaticContact CG-CD1 3.68Å; Y225-F231 HydrophobicContact CG-CD1 3.68Å; Y225-F231 AromaticContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CG 4.32Å; Y225-F231 HydrophobicContact CG-CZ 4.11Å; Y225-F231 AromaticContact CZ-CD2 3.52Å; Y225-F231 AromaticContact CZ-CE2 3.62Å; Y225-F231 AromaticContact CZ-CG 3.71Å; Y225-F231 AromaticContact CZ-CZ 3.91Å; F231-V233 HydrophobicContact CD2-CG2 3.67Å; F231-V233 HydrophobicContact CE2-CG2 3.54Å; F231-C239 HydrophobicContact CD1-CB 4.37Å; F231-C239 HydrophobicContact CD2-CB 4.01Å; F231-C239 HydrophobicContact CE1-CB 3.91Å; F231-C239 HydrophobicContact CE2-CB 3.51Å; F231-C239 HydrophobicContact CG-CB 4.44Å; F231-C239 HydrophobicContact CZ-CB 3.47Å; F231-C239 VanDerWaalsContact CZ-CB 3.47Å; F231-C239 PolarHBondContact N-O 3.38Å; F231-C239 PolarHBondContact O-N 3.47Å; F231-V247 HydrophobicContact CE1-CG1 4.08Å; F231-V247 HydrophobicContact CZ-CG1 3.66Å |
| 232 | V | 92.8 | Very high | 93.1 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 53% | 0.527 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.9 | 178.2 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | S234 R238 | V232-S234 WeakPolarHBondContact CG1-O 3.44Å; V232-R238 HydrophobicContact CG2-CG 4.47Å |
| 233 | V | 92.5 | Very high | 92.9 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 26% | 0.261 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -36.9 | -179.2 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | F220 R221 F231 E237 C239 | F220-V233 HydrophobicContact CD1-CG2 4.47Å; F220-V233 HydrophobicContact CE1-CG1 4.24Å; F220-V233 HydrophobicContact CE1-CG2 3.69Å; F220-V233 HydrophobicContact CZ-CG2 4.38Å; R221-V233 VanDerWaalsContact CZ-CG1 3.43Å; R221-V233 VanDerWaalsContact NH1-CG1 3.31Å; F231-V233 HydrophobicContact CD2-CG2 3.67Å; F231-V233 HydrophobicContact CE2-CG2 3.54Å; V233-E237 HydrophobicContact CB-CB 4.12Å; V233-E237 HydrophobicContact CB-CG 3.95Å; V233-E237 HydrophobicContact CG1-CG 4.43Å; V233-E237 VanDerWaalsContact CG1-OE2 3.28Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.17Å; V233-E237 HydrophobicContact CG2-CG 4.42Å; V233-E237 PolarHBondContact N-O 3.39Å; V233-C239 HydrophobicContact CG2-CB 4.24Å; V233-C239 VanDerWaalsContact CG2-SG 3.53Å |
| 234 | S | 91.4 | Very high | 92.5 | Very high | 45 Ų | 45 | 60.6 Ų | 60.6 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 167.8 | 169.7 | 71.6 | 0 | 0 | 0 | 0 | 108.3 | V232 C236 E237 | V232-S234 WeakPolarHBondContact CG1-O 3.44Å; S234-C236 PolarHBondContact O-N 3.38Å; S234-E237 PolarHBondContact N-O 3.02Å; S234-E237 PolarHBondContact O-N 3.09Å; S234-E237 VanDerWaalsContact OG-CB 3.23Å; S234-E237 WeakPolarHBondContact OG-CB 3.39Å; S234-E237 PolarHBondContact OG-N 3.06Å; S234-E237 VanDerWaalsContact OG-N 3.14Å |
| 235 | P | 91.6 | Very high | 92.2 | Very high | 66 Ų | 66 | 57 Ų | 57 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -29.4 | 177.5 | -28.5 | 36.2 | 0 | 0 | 0 | 114.1 | C269 | P235-C269 HydrophobicContact CB-CB 4.3Å; P235-C269 WeakPolarHBondContact O-CB 3.37Å |
| 236 | C | 92.9 | Very high | 92 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 22% | 0.223 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -18.5 | 176.2 | -64.8 | 0 | 0 | 0 | 0 | 115.7 | S234 V251 S252 C269 | S234-C236 PolarHBondContact O-N 3.38Å; C236-V251 WeakPolarHBondContact O-CA 3.15Å; C236-S252 PolarHBondContact O-N 2.03Å; C236-C269 WeakPolarHBondContact CA-SG 3.3Å; C236-C269 HydrophobicContact CB-CB 3.97Å; C236-C269 WeakPolarHBondContact CB-SG 3.5Å; C236-C269 WeakPolarHBondContact SG-CA 3.31Å; C236-C269 WeakPolarHBondContact SG-CB 3.47Å; C236-C269 PolarHBondContact SG-O 3.04Å; C236-C269 VanDerWaalsContact SG-O 3.4Å; C236-C269 CovalentContact SG-SG 2.03Å; C236-C269 PolarHBondContact SG-SG 2.62Å |
| 237 | E | 93.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 107.7 | -170.9 | -172.8 | -173.5 | 175.3 | 0 | 0 | 109.7 | R221 V233 S234 V251 | R221-E237 IonicContact CZ-OE1 2.77Å; R221-E237 IonicContact CZ-OE2 3.88Å; R221-E237 IonicContact NH2-OE1 2.92Å; R221-E237 PolarHBondContact NH2-OE1 3.36Å; R221-E237 IonicContact NH2-OE2 2.79Å; R221-E237 PolarHBondContact NH2-OE2 2.81Å; V233-E237 HydrophobicContact CB-CB 4.12Å; V233-E237 HydrophobicContact CB-CG 3.95Å; V233-E237 HydrophobicContact CG1-CG 4.43Å; V233-E237 VanDerWaalsContact CG1-OE2 3.28Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.17Å; V233-E237 HydrophobicContact CG2-CG 4.42Å; V233-E237 PolarHBondContact N-O 3.39Å; S234-E237 PolarHBondContact N-O 3.02Å; S234-E237 PolarHBondContact O-N 3.09Å; S234-E237 VanDerWaalsContact OG-CB 3.23Å; S234-E237 WeakPolarHBondContact OG-CB 3.39Å; S234-E237 PolarHBondContact OG-N 3.06Å; S234-E237 VanDerWaalsContact OG-N 3.14Å; E237-V251 HydrophobicContact CG-CG2 4.49Å |
| 238 | R | 93.8 | Very high | 92.2 | Very high | 110 Ų | 110 | 60.7 Ų | 60.7 | 42% | 0.415 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.9 | 173.7 | -60.8 | -177.3 | 66.2 | 94.8 | -4 | 109.1 | E230 V232 C249 T250 | E230-R238 IonicContact OE1-CZ 2.84Å; E230-R238 IonicContact OE1-NE 3.99Å; E230-R238 PolarHBondContact OE1-NE 2.76Å; E230-R238 IonicContact OE1-NH2 3.57Å; E230-R238 PolarHBondContact OE1-NH2 3.48Å; E230-R238 IonicContact OE2-CZ 3.81Å; E230-R238 IonicContact OE2-NH2 2.81Å; E230-R238 PolarHBondContact OE2-NH2 2.7Å; V232-R238 HydrophobicContact CG2-CG 4.47Å; R238-C249 CarbonylContact O-C 3.24Å; R238-C249 WeakPolarHBondContact O-CA 3.39Å; R238-T250 PolarHBondContact N-O 2.87Å; R238-T250 PolarHBondContact O-N 2.56Å |
| 239 | C | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.2 | -177.6 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | E230 F231 V233 V247 L248 C249 | E230-C239 CarbonylContact C-O 3.54Å; E230-C239 WeakPolarHBondContact CA-O 3Å; E230-C239 WeakPolarHBondContact CG-O 3.03Å; F231-C239 HydrophobicContact CD1-CB 4.37Å; F231-C239 HydrophobicContact CD2-CB 4.01Å; F231-C239 HydrophobicContact CE1-CB 3.91Å; F231-C239 HydrophobicContact CE2-CB 3.51Å; F231-C239 HydrophobicContact CG-CB 4.44Å; F231-C239 HydrophobicContact CZ-CB 3.47Å; F231-C239 VanDerWaalsContact CZ-CB 3.47Å; F231-C239 PolarHBondContact N-O 3.38Å; F231-C239 PolarHBondContact O-N 3.47Å; V233-C239 HydrophobicContact CG2-CB 4.24Å; V233-C239 VanDerWaalsContact CG2-SG 3.53Å; C239-V247 HydrophobicContact CB-CG1 3.73Å; C239-L248 CarbonylContact C-O 3.59Å; C239-L248 VanDerWaalsContact CA-O 3.3Å; C239-L248 WeakPolarHBondContact CA-O 3.26Å; C239-C249 HydrophobicContact CB-CB 4.11Å; C239-C249 WeakPolarHBondContact CB-SG 3.1Å; C239-C249 WeakPolarHBondContact SG-CB 3.33Å; C239-C249 CovalentContact SG-SG 2.04Å; C239-C249 PolarHBondContact SG-SG 3.47Å |
| 240 | R | 95.5 | Very high | 92.4 | Very high | 99 Ų | 99 | 59.1 Ų | 59.1 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134.8 | 176.9 | -170.5 | 176 | -176.5 | -134.7 | 14.9 | 110.8 | E229 E230 E242 V247 L248 | E229-R240 WeakPolarHBondContact O-CA 3.21Å; E230-R240 HydrophobicContact CB-CG 4.5Å; E230-R240 HydrophobicContact CG-CB 4.48Å; R240-E242 WeakPolarHBondContact CD-OE1 3.27Å; R240-E242 IonicContact CZ-OE1 3.77Å; R240-E242 IonicContact NE-OE1 2.7Å; R240-E242 IonicContact NH1-OE1 3.38Å; R240-E242 PolarHBondContact NH1-OE1 2.04Å; R240-E242 IonicContact NH1-OE2 3.57Å; R240-V247 WeakPolarHBondContact O-CA 3.43Å; R240-L248 PolarHBondContact N-O 2.97Å; R240-L248 PolarHBondContact O-N 3.29Å |
| 241 | C | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 117.8 | 170.6 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | C218 Q226 L228 E229 | C218-C241 HydrophobicContact CB-CB 3.67Å; C218-C241 WeakPolarHBondContact CB-SG 3.36Å; C218-C241 PolarHBondContact N-SG 2.75Å; C218-C241 WeakPolarHBondContact SG-CA 3.09Å; C218-C241 WeakPolarHBondContact SG-CB 3.38Å; C218-C241 CovalentContact SG-SG 2.02Å; C218-C241 PolarHBondContact SG-SG 3.08Å; Q226-C241 WeakPolarHBondContact O-CB 3.35Å; Q226-C241 PolarHBondContact O-SG 2.8Å; L228-C241 WeakPolarHBondContact CA-O 3.45Å; L228-C241 PolarHBondContact N-O 2.92Å; E229-C241 PolarHBondContact O-N 3.48Å |
| 242 | E | 92.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | trans | -90.4 | 164.6 | -175.8 | -78.5 | -58.6 | 153.6 | 0 | 0 | 113.8 | R198 R240 N244 G245 E246 L248 | R198-E242 PolarHBondContact NH1-O 3.34Å; R240-E242 WeakPolarHBondContact CD-OE1 3.27Å; R240-E242 IonicContact CZ-OE1 3.77Å; R240-E242 IonicContact NE-OE1 2.7Å; R240-E242 IonicContact NH1-OE1 3.38Å; R240-E242 PolarHBondContact NH1-OE1 2.04Å; R240-E242 IonicContact NH1-OE2 3.57Å; E242-N244 VanDerWaalsContact CB-OD1 3.26Å; E242-N244 WeakPolarHBondContact CB-OD1 3.05Å; E242-N244 PolarHBondContact O-N 3.32Å; E242-N244 VanDerWaalsContact O-N 3.08Å; E242-G245 PolarHBondContact O-N 2.85Å; E242-E246 PolarHBondContact N-O 3.09Å; E242-L248 HydrophobicContact CG-CB 4.28Å | ||
| 243 | A | 87.1 | Confident | 92.2 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R198 T227 | R198-A243 PolarHBondContact NH1-O 2.95Å; T227-A243 HydrophobicContact CG2-CB 4.23Å |
| 244 | N | 84 | Confident | 92.1 | Very high | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7.3 | 170.4 | 69.9 | -8.8 | 0 | 0 | 0 | 114.1 | R198 E242 E246 | R198-N244 WeakPolarHBondContact CD-O 3.45Å; R198-N244 WeakPolarHBondContact CG-O 3.42Å; R198-N244 PolarHBondContact NE-O 3.41Å; E242-N244 VanDerWaalsContact CB-OD1 3.26Å; E242-N244 WeakPolarHBondContact CB-OD1 3.05Å; E242-N244 PolarHBondContact O-N 3.32Å; E242-N244 VanDerWaalsContact O-N 3.08Å; N244-E246 PolarHBondContact ND2-OE2 3.08Å; N244-E246 WeakPolarHBondContact OD1-CB 3.11Å; N244-E246 PolarHBondContact OD1-N 3.49Å |
| 245 | G | 85.8 | Confident | 92.1 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 87.5 | 4.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R198 C218 E242 | R198-G245 VanDerWaalsContact NH1-N 3.19Å; C218-G245 VanDerWaalsContact SG-C 3.5Å; C218-G245 PolarHBondContact SG-O 3.3Å; E242-G245 PolarHBondContact O-N 2.85Å |
| 246 | E | 88.9 | Confident | 91.9 | Very high | 130 Ų | 130 | 67.1 Ų | 67.1 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | trans | -86.5 | 157 | 169.3 | -60.3 | 172.6 | 169.2 | 0 | 0 | 109.1 | C218 E242 N244 | C218-E246 PolarHBondContact SG-O 3.31Å; C218-E246 VanDerWaalsContact SG-O 3.38Å; E242-E246 PolarHBondContact N-O 3.09Å; N244-E246 PolarHBondContact ND2-OE2 3.08Å; N244-E246 WeakPolarHBondContact OD1-CB 3.11Å; N244-E246 PolarHBondContact OD1-N 3.49Å | ||
| 247 | V | 94.2 | Very high | 91.9 | Very high | 36 Ų | 36 | 67 Ų | 67 | 22% | 0.218 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117 | 173.1 | 176.3 | 0 | 0 | 0 | 0 | 108.1 | C218 F220 F231 C239 R240 | C218-V247 HydrophobicContact CB-CG2 3.48Å; C218-V247 VanDerWaalsContact CB-CG2 3.48Å; F220-V247 HydrophobicContact CB-CG2 4.08Å; F220-V247 HydrophobicContact CD2-CB 4.09Å; F220-V247 HydrophobicContact CD2-CG1 3.88Å; F220-V247 HydrophobicContact CD2-CG2 4.4Å; F220-V247 HydrophobicContact CE2-CG1 4.25Å; F220-V247 HydrophobicContact CG-CG1 4.28Å; F231-V247 HydrophobicContact CE1-CG1 4.08Å; F231-V247 HydrophobicContact CZ-CG1 3.66Å; C239-V247 HydrophobicContact CB-CG1 3.73Å; R240-V247 WeakPolarHBondContact O-CA 3.43Å |
| 248 | L | 94.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 70.6 Ų | 70.6 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.3 | 174.5 | -175.7 | 62.6 | 0 | 0 | 0 | 108.7 | C239 R240 E242 | C239-L248 CarbonylContact C-O 3.59Å; C239-L248 VanDerWaalsContact CA-O 3.3Å; C239-L248 WeakPolarHBondContact CA-O 3.26Å; R240-L248 PolarHBondContact N-O 2.97Å; R240-L248 PolarHBondContact O-N 3.29Å; E242-L248 HydrophobicContact CG-CB 4.28Å |
| 249 | C | 95.5 | Very high | 91.6 | Very high | 45 Ų | 45 | 65.4 Ų | 65.4 | 30% | 0.304 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.7 | 177.2 | -66.2 | 0 | 0 | 0 | 0 | 111 | R238 C239 | R238-C249 CarbonylContact O-C 3.24Å; R238-C249 WeakPolarHBondContact O-CA 3.39Å; C239-C249 HydrophobicContact CB-CB 4.11Å; C239-C249 WeakPolarHBondContact CB-SG 3.1Å; C239-C249 WeakPolarHBondContact SG-CB 3.33Å; C239-C249 CovalentContact SG-SG 2.04Å; C239-C249 PolarHBondContact SG-SG 3.47Å |
| 250 | T | 94.3 | Very high | 91.5 | Very high | 90 Ų | 90 | 66.3 Ų | 66.3 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.2 | 173.9 | -56.1 | 0 | 0 | 0 | 0 | 108.5 | R238 | R238-T250 PolarHBondContact N-O 2.87Å; R238-T250 PolarHBondContact O-N 2.56Å |
| 251 | V | 94.1 | Very high | 91.4 | Very high | 104 Ų | 104 | 63.6 Ų | 63.6 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.2 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | C236 E237 A253 | C236-V251 WeakPolarHBondContact O-CA 3.15Å; E237-V251 HydrophobicContact CG-CG2 4.49Å; V251-A253 PolarHBondContact O-N 3.37Å |
| 252 | S | 91.4 | Very high | 91.4 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 119.5 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | C236 | C236-S252 PolarHBondContact O-N 2.03Š|
| 253 | A | 91.1 | Very high | 91.5 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 80% | 0.802 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 133.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | V251 | V251-A253 PolarHBondContact O-N 3.37Š|
| 254 | C | 91.6 | Very high | 91.7 | Very high | 56 Ų | 56 | 71.8 Ų | 71.8 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 143.3 | -179.8 | -67 | 0 | 0 | 0 | 0 | 112.3 | C269 C270 | C254-C269 VanDerWaalsContact SG-SG 3.66Å; C254-C270 WeakPolarHBondContact CA-SG 3.48Å; C254-C270 HydrophobicContact CB-CB 3.74Å; C254-C270 WeakPolarHBondContact CB-SG 3.32Å; C254-C270 WeakPolarHBondContact SG-CA 3.49Å; C254-C270 WeakPolarHBondContact SG-CB 3.19Å; C254-C270 CovalentContact SG-SG 2.04Å; C254-C270 PolarHBondContact SG-SG 2.04Å |
| 255 | P | 90.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 71.7 Ų | 71.7 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 153.9 | 172.3 | 29.4 | -34.9 | 0 | 0 | 0 | 110.6 | T257 | P255-T257 PolarHBondContact O-N 2.05Š|
| 256 | Q | 88.8 | Confident | 92.2 | Very high | 116 Ų | 116 | 76.1 Ų | 76.1 | 54% | 0.542 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 132.7 | 170.5 | 179 | 176.4 | -16.6 | 0 | 0 | 109.8 | ||
| 257 | T | 92 | Very high | 92.2 | Very high | 30 Ų | 30 | 76.9 Ų | 76.9 | 18% | 0.184 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 143.1 | -179.7 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | P255 C259 P262 P271 | P255-T257 PolarHBondContact O-N 2.05Å; T257-C259 VanDerWaalsContact C-N 3.26Å; T257-C259 PolarHBondContact OG1-O 3.06Å; T257-C259 VanDerWaalsContact OG1-O 3.11Å; T257-P262 HydrophobicContact CG2-CB 4.11Å; T257-P271 HydrophobicContact CG2-CG 3.84Å |
| 258 | E | 89 | Confident | 92 | Very high | 110 Ų | 110 | 79.6 Ų | 79.6 | 51% | 0.514 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -89.4 | 10.3 | 174.1 | -58.9 | -178.8 | 169.5 | 0 | 0 | 112.8 | P277 N278 | E258-P277 HydrophobicContact CB-CB 4.12Å; E258-P277 HydrophobicContact CB-CG 4.43Å; E258-P277 VanDerWaalsContact O-CA 3.27Å; E258-P277 WeakPolarHBondContact O-CA 3.46Å; E258-N278 PolarHBondContact O-N 2.77Å; E258-N278 VanDerWaalsContact O-N 3.12Å |
| 259 | C | 92.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.014 | 43% | 0.432 | C | S | . | . | trans | -126.1 | 158.8 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | T257 D261 C273 N278 | T257-C259 VanDerWaalsContact C-N 3.26Å; T257-C259 PolarHBondContact OG1-O 3.06Å; T257-C259 VanDerWaalsContact OG1-O 3.11Å; C259-D261 WeakPolarHBondContact CB-OD1 3.07Å; C259-C273 HydrophobicContact CB-CB 3.6Å; C259-C273 WeakPolarHBondContact CB-SG 3.05Å; C259-C273 WeakPolarHBondContact SG-CA 3.4Å; C259-C273 WeakPolarHBondContact SG-CB 3.1Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.26Å; C259-N278 WeakPolarHBondContact CA-OD1 3.03Å; C259-N278 WeakPolarHBondContact CB-ND2 2.99Å; C259-N278 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 260 | V | 93.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 75.3 Ų | 75.3 | 12% | 0.115 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -96.5 | -9.1 | 172.8 | -62.7 | 0 | 0 | 0 | 0 | 113.6 | P262 N278 F280 V285 R313 | V260-P262 VanDerWaalsContact O-CD 3.24Å; V260-P262 WeakPolarHBondContact O-CD 3.37Å; V260-N278 VanDerWaalsContact CG2-OD1 3.22Å; V260-N278 WeakPolarHBondContact CG2-OD1 2.98Å; V260-N278 PolarHBondContact N-OD1 3.14Å; V260-F280 HydrophobicContact CB-CD2 3.84Å; V260-F280 HydrophobicContact CB-CE1 4.19Å; V260-F280 HydrophobicContact CB-CE2 3.46Å; V260-F280 VanDerWaalsContact CB-CE2 3.46Å; V260-F280 HydrophobicContact CB-CG 4.36Å; V260-F280 HydrophobicContact CB-CZ 3.64Å; V260-F280 HydrophobicContact CG1-CD2 3.76Å; V260-F280 HydrophobicContact CG1-CE2 3.78Å; V260-F280 HydrophobicContact CG1-CG 4.43Å; V260-F280 HydrophobicContact CG1-CZ 4.45Å; V260-F280 HydrophobicContact CG2-CD1 3.87Å; V260-F280 HydrophobicContact CG2-CD2 3.97Å; V260-F280 HydrophobicContact CG2-CE1 3.74Å; V260-F280 HydrophobicContact CG2-CE2 3.87Å; V260-F280 HydrophobicContact CG2-CG 3.98Å; V260-F280 HydrophobicContact CG2-CZ 3.74Å; V260-V285 HydrophobicContact CG2-CG1 3.98Å; V260-V285 HydrophobicContact CG2-CG2 3.95Å; V260-R313 HydrophobicContact CG1-CB 4.03Å; V260-R313 HydrophobicContact CG1-CG 4.17Å |
| 261 | D | 93.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 72 Ų | 72 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -113 | 46.9 | 176.9 | 69.9 | -17.4 | 0 | 0 | 0 | 115.1 | C259 V263 N275 N278 | C259-D261 WeakPolarHBondContact CB-OD1 3.07Å; D261-V263 PolarHBondContact O-N 3.45Å; D261-N275 PolarHBondContact OD2-ND2 3.34Å; D261-N278 PolarHBondContact OD1-ND2 3.4Å; D261-N278 PolarHBondContact OD1-OD1 3.37Å |
| 262 | P | 94.6 | Very high | 91.7 | Very high | 41 Ų | 41 | 69.6 Ų | 69.6 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 132.2 | -177.3 | 24.8 | -33.1 | 0 | 0 | 0 | 113.5 | T257 V260 P271 | T257-P262 HydrophobicContact CG2-CB 4.11Å; V260-P262 VanDerWaalsContact O-CD 3.24Å; V260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-P271 HydrophobicContact CB-CB 3.75Å; P262-P271 HydrophobicContact CB-CG 4.28Å |
| 263 | V | 94 | Very high | 91.8 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 33% | 0.333 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -101.8 | 126.9 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | D261 E265 P271 I272 K274 | D261-V263 PolarHBondContact O-N 3.45Å; V263-E265 HydrophobicContact CG1-CG 4.45Å; V263-P271 CarbonylContact O-C 3.54Å; V263-P271 VanDerWaalsContact O-CA 3.3Å; V263-P271 WeakPolarHBondContact O-CA 3.3Å; V263-I272 PolarHBondContact N-O 3.38Å; V263-I272 PolarHBondContact O-N 3.21Å; V263-K274 HydrophobicContact CB-CD 4.3Å; V263-K274 HydrophobicContact CB-CG 4.34Å; V263-K274 HydrophobicContact CG1-CD 4.35Å; V263-K274 HydrophobicContact CG2-CD 4.17Å; V263-K274 HydrophobicContact CG2-CG 4.23Å |
| 264 | Y | 92.7 | Very high | 91.8 | Very high | 175 Ų | 175 | 69.7 Ų | 69.7 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 126.5 | 173.2 | -67.1 | -95.6 | 0 | 0 | 0 | 110.1 | P271 | Y264-P271 HydrophobicContact CD1-CB 3.93Å; Y264-P271 HydrophobicContact CD1-CG 4.38Å; Y264-P271 HydrophobicContact CD2-CB 4.15Å; Y264-P271 HydrophobicContact CE1-CB 3.77Å; Y264-P271 HydrophobicContact CE1-CG 3.76Å; Y264-P271 HydrophobicContact CE2-CB 3.98Å; Y264-P271 HydrophobicContact CE2-CG 4.42Å; Y264-P271 HydrophobicContact CG-CB 4.13Å |
| 265 | E | 91.4 | Very high | 91.8 | Very high | 71 Ų | 71 | 72.6 Ų | 72.6 | 33% | 0.332 | 38% | 0.383 | S | S | . | . | trans | -110.6 | 142.6 | 175.2 | -61 | -162.6 | 137.1 | 0 | 0 | 110.2 | V263 D267 Q268 I272 K274 | V263-E265 HydrophobicContact CG1-CG 4.45Å; E265-D267 PolarHBondContact O-N 3.05Å; E265-Q268 PolarHBondContact O-N 3.42Å; E265-I272 HydrophobicContact CG-CD1 4.34Å; E265-K274 VanDerWaalsContact OE1-CE 3.25Å; E265-K274 WeakPolarHBondContact OE1-CE 3.13Å; E265-K274 IonicContact OE1-NZ 2.65Å; E265-K274 PolarHBondContact OE1-NZ 3.25Å | ||
| 266 | P | 87.9 | Confident | 91.8 | Very high | 114 Ų | 114 | 69 Ų | 69 | 74% | 0.74 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.5 | -168.6 | 26 | -35.7 | 0 | 0 | 0 | 114.3 | ||
| 267 | D | 88.3 | Confident | 92 | Very high | 147 Ų | 147 | 66 Ų | 66 | 79% | 0.786 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.3 | -177.7 | -58.7 | -55.1 | 0 | 0 | 0 | 113.4 | E265 | E265-D267 PolarHBondContact O-N 3.05Š|
| 268 | Q | 90.8 | Very high | 92.1 | Very high | 93 Ų | 93 | 64.7 Ų | 64.7 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | trans | -113 | 145.5 | 176.8 | -76.1 | -172.7 | 2.5 | 0 | 0 | 111.9 | E265 | E265-Q268 PolarHBondContact O-N 3.42Š| ||
| 269 | C | 92.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 59.5 Ų | 59.5 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -68.9 | -42.1 | 172.8 | 177 | 0 | 0 | 0 | 0 | 112.3 | P235 C236 C254 | P235-C269 HydrophobicContact CB-CB 4.3Å; P235-C269 WeakPolarHBondContact O-CB 3.37Å; C236-C269 WeakPolarHBondContact CA-SG 3.3Å; C236-C269 HydrophobicContact CB-CB 3.97Å; C236-C269 WeakPolarHBondContact CB-SG 3.5Å; C236-C269 WeakPolarHBondContact SG-CA 3.31Å; C236-C269 WeakPolarHBondContact SG-CB 3.47Å; C236-C269 PolarHBondContact SG-O 3.04Å; C236-C269 VanDerWaalsContact SG-O 3.4Å; C236-C269 CovalentContact SG-SG 2.03Å; C236-C269 PolarHBondContact SG-SG 2.62Å; C254-C269 VanDerWaalsContact SG-SG 3.66Å |
| 270 | C | 93.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 63 Ų | 63 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -114.2 | 146 | -166.8 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | C254 | C254-C270 WeakPolarHBondContact CA-SG 3.48Å; C254-C270 HydrophobicContact CB-CB 3.74Å; C254-C270 WeakPolarHBondContact CB-SG 3.32Å; C254-C270 WeakPolarHBondContact SG-CA 3.49Å; C254-C270 WeakPolarHBondContact SG-CB 3.19Å; C254-C270 CovalentContact SG-SG 2.04Å; C254-C270 PolarHBondContact SG-SG 2.04Å |
| 271 | P | 93.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 13% | 0.13 | 33% | 0.333 | C | S | . | . | trans | -67.9 | 151.7 | 176.9 | 28.2 | -34.1 | 0 | 0 | 0 | 111.7 | T257 P262 V263 Y264 | T257-P271 HydrophobicContact CG2-CG 3.84Å; P262-P271 HydrophobicContact CB-CB 3.75Å; P262-P271 HydrophobicContact CB-CG 4.28Å; V263-P271 CarbonylContact O-C 3.54Å; V263-P271 VanDerWaalsContact O-CA 3.3Å; V263-P271 WeakPolarHBondContact O-CA 3.3Å; Y264-P271 HydrophobicContact CD1-CB 3.93Å; Y264-P271 HydrophobicContact CD1-CG 4.38Å; Y264-P271 HydrophobicContact CD2-CB 4.15Å; Y264-P271 HydrophobicContact CE1-CB 3.77Å; Y264-P271 HydrophobicContact CE1-CG 3.76Å; Y264-P271 HydrophobicContact CE2-CB 3.98Å; Y264-P271 HydrophobicContact CE2-CG 4.42Å; Y264-P271 HydrophobicContact CG-CB 4.13Å | ||
| 272 | I | 92.8 | Very high | 92.2 | Very high | 54 Ų | 54 | 66 Ų | 66 | 28% | 0.277 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -117.9 | 139.6 | 178.9 | 53.7 | 169.8 | 0 | 0 | 0 | 112.1 | V263 E265 K274 | V263-I272 PolarHBondContact N-O 3.38Å; V263-I272 PolarHBondContact O-N 3.21Å; E265-I272 HydrophobicContact CG-CD1 4.34Å; I272-K274 HydrophobicContact CD1-CG 4.01Å; I272-K274 HydrophobicContact CG1-CG 4.16Å; I272-K274 PolarHBondContact O-N 3.43Å |
| 273 | C | 93.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 70.7 Ų | 70.7 | 25% | 0.25 | 38% | 0.377 | C | S | . | . | trans | -85.8 | 82.9 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | C259 N275 G276 | C259-C273 HydrophobicContact CB-CB 3.6Å; C259-C273 WeakPolarHBondContact CB-SG 3.05Å; C259-C273 WeakPolarHBondContact SG-CA 3.4Å; C259-C273 WeakPolarHBondContact SG-CB 3.1Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.26Å; C273-N275 PolarHBondContact O-N 3.31Å; C273-G276 PolarHBondContact O-N 3.5Å | ||
| 274 | K | 91.7 | Very high | 91.7 | Very high | 118 Ų | 118 | 70 Ų | 70 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.9 | -175.7 | -67.9 | -168.1 | 176.2 | -174.6 | 0 | 113.6 | V263 E265 I272 G276 | V263-K274 HydrophobicContact CB-CD 4.3Å; V263-K274 HydrophobicContact CB-CG 4.34Å; V263-K274 HydrophobicContact CG1-CD 4.35Å; V263-K274 HydrophobicContact CG2-CD 4.17Å; V263-K274 HydrophobicContact CG2-CG 4.23Å; E265-K274 VanDerWaalsContact OE1-CE 3.25Å; E265-K274 WeakPolarHBondContact OE1-CE 3.13Å; E265-K274 IonicContact OE1-NZ 2.65Å; E265-K274 PolarHBondContact OE1-NZ 3.25Å; I272-K274 HydrophobicContact CD1-CG 4.01Å; I272-K274 HydrophobicContact CG1-CG 4.16Å; I272-K274 PolarHBondContact O-N 3.43Å; K274-G276 VanDerWaalsContact C-N 3.34Å |
| 275 | N | 90.6 | Very high | 91.8 | Very high | 116 Ų | 116 | 64.9 Ų | 64.9 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7.3 | 179.1 | -62.4 | -39.5 | 0 | 0 | 0 | 113.4 | D261 C273 | D261-N275 PolarHBondContact OD2-ND2 3.34Å; C273-N275 PolarHBondContact O-N 3.31Å |
| 276 | G | 91.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 61.8 Ų | 61.8 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | trans | 72.1 | -169 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113 | C273 K274 N278 | C273-G276 PolarHBondContact O-N 3.5Å; K274-G276 VanDerWaalsContact C-N 3.34Å; G276-N278 PolarHBondContact O-ND2 3.49Å | ||
| 277 | P | 93.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -68.2 | 137.6 | -178 | -19 | 32.6 | 0 | 0 | 0 | 112.9 | E258 P287 A288 I311 | E258-P277 HydrophobicContact CB-CB 4.12Å; E258-P277 HydrophobicContact CB-CG 4.43Å; E258-P277 VanDerWaalsContact O-CA 3.27Å; E258-P277 WeakPolarHBondContact O-CA 3.46Å; P277-P287 WeakPolarHBondContact O-CA 3.4Å; P277-A288 HydrophobicContact CB-CB 4.26Å; P277-A288 PolarHBondContact O-N 3.48Å; P277-I311 HydrophobicContact CB-CD1 3.27Å; P277-I311 HydrophobicContact CG-CD1 4.33Å |
| 278 | N | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 162.5 | -172.9 | 60 | 60.9 | 0 | 0 | 0 | 113.4 | E258 C259 V260 D261 G276 V285 I286 | E258-N278 PolarHBondContact O-N 2.77Å; E258-N278 VanDerWaalsContact O-N 3.12Å; C259-N278 WeakPolarHBondContact CA-OD1 3.03Å; C259-N278 WeakPolarHBondContact CB-ND2 2.99Å; C259-N278 WeakPolarHBondContact CB-OD1 3.39Å; V260-N278 VanDerWaalsContact CG2-OD1 3.22Å; V260-N278 WeakPolarHBondContact CG2-OD1 2.98Å; V260-N278 PolarHBondContact N-OD1 3.14Å; D261-N278 PolarHBondContact OD1-ND2 3.4Å; D261-N278 PolarHBondContact OD1-OD1 3.37Å; G276-N278 PolarHBondContact O-ND2 3.49Å; N278-V285 HydrophobicContact CB-CG1 3.77Å; N278-I286 VanDerWaalsContact CA-O 3.3Å; N278-I286 WeakPolarHBondContact CA-O 3.4Å; N278-I286 WeakPolarHBondContact CB-O 3.35Å |
| 279 | C | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 166.3 | -177.9 | 69.3 | 0 | 0 | 0 | 0 | 111.6 | I286 C302 I311 E312 | C279-I286 PolarHBondContact N-O 3.23Å; C279-I286 PolarHBondContact O-N 2.96Å; C279-C302 HydrophobicContact CB-CB 3.9Å; C279-C302 WeakPolarHBondContact CB-SG 3.44Å; C279-C302 PolarHBondContact N-SG 3.46Å; C279-C302 WeakPolarHBondContact SG-CA 3.08Å; C279-C302 WeakPolarHBondContact SG-CB 3.41Å; C279-C302 CovalentContact SG-SG 2.04Å; C279-C302 PolarHBondContact SG-SG 3.36Å; C279-I311 HydrophobicContact CB-CG2 4.19Å; C279-E312 VanDerWaalsContact CB-O 3.22Å; C279-E312 WeakPolarHBondContact CB-O 3.3Å |
| 280 | F | 94.4 | Very high | 92 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.7 | 175.3 | -70.5 | -60.9 | 0 | 0 | 0 | 112.3 | V260 A284 V285 R313 Q314 A315 | V260-F280 HydrophobicContact CB-CD2 3.84Å; V260-F280 HydrophobicContact CB-CE1 4.19Å; V260-F280 HydrophobicContact CB-CE2 3.46Å; V260-F280 VanDerWaalsContact CB-CE2 3.46Å; V260-F280 HydrophobicContact CB-CG 4.36Å; V260-F280 HydrophobicContact CB-CZ 3.64Å; V260-F280 HydrophobicContact CG1-CD2 3.76Å; V260-F280 HydrophobicContact CG1-CE2 3.78Å; V260-F280 HydrophobicContact CG1-CG 4.43Å; V260-F280 HydrophobicContact CG1-CZ 4.45Å; V260-F280 HydrophobicContact CG2-CD1 3.87Å; V260-F280 HydrophobicContact CG2-CD2 3.97Å; V260-F280 HydrophobicContact CG2-CE1 3.74Å; V260-F280 HydrophobicContact CG2-CE2 3.87Å; V260-F280 HydrophobicContact CG2-CG 3.98Å; V260-F280 HydrophobicContact CG2-CZ 3.74Å; F280-A284 CarbonylContact C-O 3.6Å; F280-A284 WeakPolarHBondContact CA-O 3.28Å; F280-V285 HydrophobicContact CD1-CG2 3.93Å; F280-V285 HydrophobicContact CE1-CG2 3.74Å; F280-R313 PolarHBondContact N-O 3.17Å; F280-Q314 PolarHBondContact O-NE2 2.97Å; F280-A315 WeakPolarHBondContact O-CB 3.41Å; F280-A315 PolarHBondContact O-N 3.08Å |
| 281 | A | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 94.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T283 A284 I286 C300 A315 | A281-T283 PolarHBondContact O-N 3.32Å; A281-A284 PolarHBondContact N-O 2.9Å; A281-A284 PolarHBondContact O-N 2.82Å; A281-I286 HydrophobicContact CB-CD1 3.98Å; A281-I286 HydrophobicContact CB-CG1 4Å; A281-I286 HydrophobicContact CB-CG2 3.9Å; A281-C300 HydrophobicContact CB-CB 3.72Å; A281-A315 HydrophobicContact CB-CB 4.05Å |
| 282 | E | 87.1 | Confident | 91.8 | Very high | 124 Ų | 124 | 62.4 Ų | 62.4 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -91.9 | -170.7 | -56.6 | -172.7 | 175.4 | 0 | 0 | 112.8 | ||
| 283 | T | 88.2 | Confident | 91.7 | Very high | 139 Ų | 139 | 66.3 Ų | 66.3 | 85% | 0.853 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -8.6 | 176.1 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | A281 | A281-T283 PolarHBondContact O-N 3.32Š|
| 284 | A | 91.1 | Very high | 91.4 | Very high | 41 Ų | 41 | 66.9 Ų | 66.9 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 147.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F280 A281 | F280-A284 CarbonylContact C-O 3.6Å; F280-A284 WeakPolarHBondContact CA-O 3.28Å; A281-A284 PolarHBondContact N-O 2.9Å; A281-A284 PolarHBondContact O-N 2.82Å |
| 285 | V | 93.9 | Very high | 91.1 | Very high | 67 Ų | 67 | 65 Ų | 65 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.5 | 171.9 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | V260 N278 F280 | V260-V285 HydrophobicContact CG2-CG1 3.98Å; V260-V285 HydrophobicContact CG2-CG2 3.95Å; N278-V285 HydrophobicContact CB-CG1 3.77Å; F280-V285 HydrophobicContact CD1-CG2 3.93Å; F280-V285 HydrophobicContact CE1-CG2 3.74Å |
| 286 | I | 93.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.5 | 174.5 | 63.5 | 164 | 0 | 0 | 0 | 110.1 | N278 C279 A281 V292 C300 C302 A315 | N278-I286 VanDerWaalsContact CA-O 3.3Å; N278-I286 WeakPolarHBondContact CA-O 3.4Å; N278-I286 WeakPolarHBondContact CB-O 3.35Å; C279-I286 PolarHBondContact N-O 3.23Å; C279-I286 PolarHBondContact O-N 2.96Å; A281-I286 HydrophobicContact CB-CD1 3.98Å; A281-I286 HydrophobicContact CB-CG1 4Å; A281-I286 HydrophobicContact CB-CG2 3.9Å; I286-V292 HydrophobicContact CB-CB 4.36Å; I286-V292 HydrophobicContact CB-CG2 3.95Å; I286-V292 HydrophobicContact CD1-CG2 4.48Å; I286-V292 HydrophobicContact CG2-CB 3.9Å; I286-V292 HydrophobicContact CG2-CG1 4.04Å; I286-V292 HydrophobicContact CG2-CG2 3.97Å; I286-C300 HydrophobicContact CD1-CB 3.94Å; I286-C302 PolarHBondContact O-SG 2.7Å; I286-A315 HydrophobicContact CD1-CB 3.88Å; I286-A315 HydrophobicContact CG1-CB 4.42Å |
| 287 | P | 93.6 | Very high | 90.6 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 150.2 | 177.4 | 32.9 | -34.8 | 0 | 0 | 0 | 110.9 | P277 R290 | P277-P287 WeakPolarHBondContact O-CA 3.4Å; P287-R290 VanDerWaalsContact CD-NH2 3.33Å; P287-R290 HydrophobicContact CG-CG 4.18Å; P287-R290 VanDerWaalsContact CG-NE 3.26Å |
| 288 | A | 91.9 | Very high | 90.5 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 21% | 0.207 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 160.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | P277 R290 C302 I311 | P277-A288 HydrophobicContact CB-CB 4.26Å; P277-A288 PolarHBondContact O-N 3.48Å; A288-R290 VanDerWaalsContact C-N 3.26Å; A288-R290 PolarHBondContact O-N 2.94Å; A288-C302 HydrophobicContact CB-CB 3.97Å; A288-I311 HydrophobicContact CB-CD1 3.42Å; A288-I311 VanDerWaalsContact CB-CD1 3.42Å; A288-I311 HydrophobicContact CB-CG1 4.04Å |
| 289 | G | 87.9 | Confident | 90.4 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 74% | 0.742 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 6.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 290 | R | 88.2 | Confident | 90.4 | Very high | 141 Ų | 141 | 66.7 Ų | 66.7 | 53% | 0.532 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -132.4 | 146.1 | 170 | 74 | 177.3 | -161.8 | -162 | -0 | 111.7 | P287 A288 V292 | P287-R290 VanDerWaalsContact CD-NH2 3.33Å; P287-R290 HydrophobicContact CG-CG 4.18Å; P287-R290 VanDerWaalsContact CG-NE 3.26Å; A288-R290 VanDerWaalsContact C-N 3.26Å; A288-R290 PolarHBondContact O-N 2.94Å; R290-V292 HydrophobicContact CG-CG2 3.84Å; R290-V292 VanDerWaalsContact NE-CG2 3.29Å |
| 291 | E | 90.7 | Very high | 90.4 | Very high | 143 Ų | 143 | 65.8 Ų | 65.8 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | trans | -79.9 | 133.7 | 165.7 | -57.3 | -173.7 | 160.8 | 0 | 0 | 109.1 | I299 H301 | E291-I299 HydrophobicContact CB-CG2 3.96Å; E291-H301 HydrophobicContact CG-CB 4.13Å | ||
| 292 | V | 92 | Very high | 90.5 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.1 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | I286 R290 T294 C300 | I286-V292 HydrophobicContact CB-CB 4.36Å; I286-V292 HydrophobicContact CB-CG2 3.95Å; I286-V292 HydrophobicContact CD1-CG2 4.48Å; I286-V292 HydrophobicContact CG2-CB 3.9Å; I286-V292 HydrophobicContact CG2-CG1 4.04Å; I286-V292 HydrophobicContact CG2-CG2 3.97Å; R290-V292 HydrophobicContact CG-CG2 3.84Å; R290-V292 VanDerWaalsContact NE-CG2 3.29Å; V292-T294 PolarHBondContact O-N 3.18Å; V292-C300 PolarHBondContact N-O 3.16Å; V292-C300 PolarHBondContact O-N 2.92Å |
| 293 | K | 90.6 | Very high | 90.7 | Very high | 137 Ų | 137 | 61.3 Ų | 61.3 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 104.8 | 172.5 | -176.5 | 168.2 | -178.4 | 173.3 | 0 | 109.1 | D295 E296 T298 | K293-D295 WeakPolarHBondContact CE-O 3.32Å; K293-D295 WeakPolarHBondContact CG-O 3.43Å; K293-E296 WeakPolarHBondContact CE-O 3.29Å; K293-E296 PolarHBondContact NZ-O 2.79Å; K293-T298 CarbonylContact C-O 3.52Å; K293-T298 WeakPolarHBondContact CA-O 3.49Å |
| 294 | T | 87.4 | Confident | 90.8 | Very high | 49 Ų | 49 | 60 Ų | 60 | 30% | 0.301 | 32% | 0.32 | S | S | . | . | trans | -78.7 | -44.5 | -177.2 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | V292 T298 C300 | V292-T294 PolarHBondContact O-N 3.18Å; T294-T298 PolarHBondContact N-O 3.09Å; T294-C300 PolarHBondContact OG1-SG 2.88Å | ||
| 295 | D | 85.1 | Confident | 90.7 | Very high | 78 Ų | 78 | 62.2 Ų | 62.2 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -122 | 175.9 | 175.3 | -54.9 | -62.5 | 0 | 0 | 0 | 110.6 | K293 C297 T298 | K293-D295 WeakPolarHBondContact CE-O 3.32Å; K293-D295 WeakPolarHBondContact CG-O 3.43Å; D295-C297 PolarHBondContact O-N 3.4Å; D295-T298 PolarHBondContact N-O 3.07Å; D295-T298 PolarHBondContact O-N 3.16Å; D295-T298 WeakPolarHBondContact OD2-CB 3.29Å; D295-T298 PolarHBondContact OD2-OG1 3.04Å |
| 296 | E | 83.9 | Confident | 90.3 | Very high | 156 Ų | 156 | 68.2 Ų | 68.2 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -50.5 | -26.4 | 169.1 | -67.1 | -175 | 172 | 0 | 0 | 113.8 | K293 C322 | K293-E296 WeakPolarHBondContact CE-O 3.29Å; K293-E296 PolarHBondContact NZ-O 2.79Å; E296-C322 PolarHBondContact O-SG 3.12Å |
| 297 | C | 88.1 | Confident | 89.7 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -122.4 | -9.9 | -175.1 | -50.1 | 0 | 0 | 0 | 0 | 115.6 | D295 R319 H320 C322 | D295-C297 PolarHBondContact O-N 3.4Å; C297-R319 HydrophobicContact CB-CG 4.2Å; C297-R319 CarbonylContact O-C 3.47Å; C297-R319 WeakPolarHBondContact O-CA 3.48Å; C297-H320 WeakPolarHBondContact CB-O 3.39Å; C297-H320 PolarHBondContact O-N 3.11Å; C297-C322 WeakPolarHBondContact CA-SG 3.36Å; C297-C322 HydrophobicContact CB-CB 4.34Å; C297-C322 WeakPolarHBondContact CB-SG 3.39Å; C297-C322 PolarHBondContact N-SG 2.96Å; C297-C322 VanDerWaalsContact N-SG 3.45Å; C297-C322 WeakPolarHBondContact SG-CB 3.36Å; C297-C322 CovalentContact SG-SG 2.03Å; C297-C322 PolarHBondContact SG-SG 2.83Å |
| 298 | T | 91.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 73 Ų | 73 | 5% | 0.049 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.5 | -168.3 | -45 | 0 | 0 | 0 | 0 | 109.6 | K293 T294 D295 C317 | K293-T298 CarbonylContact C-O 3.52Å; K293-T298 WeakPolarHBondContact CA-O 3.49Å; T294-T298 PolarHBondContact N-O 3.09Å; D295-T298 PolarHBondContact N-O 3.07Å; D295-T298 PolarHBondContact O-N 3.16Å; D295-T298 WeakPolarHBondContact OD2-CB 3.29Å; D295-T298 PolarHBondContact OD2-OG1 3.04Å; T298-C317 HydrophobicContact CG2-CB 4Å |
| 299 | I | 92.3 | Very high | 88.6 | Confident | 47 Ų | 47 | 83 Ų | 83 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.1 | 174.8 | -57.6 | 177.5 | 0 | 0 | 0 | 107.6 | E291 C317 T318 | E291-I299 HydrophobicContact CB-CG2 3.96Å; I299-C317 CarbonylContact O-C 3.55Å; I299-C317 WeakPolarHBondContact O-CA 3.32Å; I299-T318 PolarHBondContact N-O 2.68Å; I299-T318 PolarHBondContact O-N 3.23Å; I299-T318 PolarHBondContact O-OG1 2.79Å |
| 300 | C | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 144.3 | -178 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | A281 I286 V292 T294 A315 M316 C317 | A281-C300 HydrophobicContact CB-CB 3.72Å; I286-C300 HydrophobicContact CD1-CB 3.94Å; V292-C300 PolarHBondContact N-O 3.16Å; V292-C300 PolarHBondContact O-N 2.92Å; T294-C300 PolarHBondContact OG1-SG 2.88Å; C300-A315 HydrophobicContact CB-CB 4.15Å; C300-M316 CarbonylContact C-O 3.56Å; C300-M316 VanDerWaalsContact CA-O 3.29Å; C300-M316 WeakPolarHBondContact CA-O 3.44Å; C300-C317 HydrophobicContact CB-CB 4.14Å; C300-C317 WeakPolarHBondContact CB-SG 3.25Å; C300-C317 WeakPolarHBondContact SG-CB 2.99Å; C300-C317 CovalentContact SG-SG 2.04Å; C300-C317 PolarHBondContact SG-SG 3.34Å |
| 301 | H | 94.2 | Very high | 88.8 | Confident | 58 Ų | 58 | 79.7 Ų | 79.7 | 27% | 0.269 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 150.5 | 173.6 | 65.3 | -87.4 | 0 | 0 | 0 | 111.4 | E291 A315 M316 | E291-H301 HydrophobicContact CG-CB 4.13Å; H301-A315 CarbonylContact O-C 3.6Å; H301-A315 VanDerWaalsContact O-CA 3.31Å; H301-A315 WeakPolarHBondContact O-CA 3.42Å; H301-A315 WeakPolarHBondContact O-CB 3.45Å; H301-M316 PolarHBondContact N-O 3.05Å; H301-M316 PolarHBondContact O-N 2.81Å |
| 302 | C | 94.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 76.3 Ų | 76.3 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.5 | 173.1 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | C279 I286 A288 I311 | C279-C302 HydrophobicContact CB-CB 3.9Å; C279-C302 WeakPolarHBondContact CB-SG 3.44Å; C279-C302 PolarHBondContact N-SG 3.46Å; C279-C302 WeakPolarHBondContact SG-CA 3.08Å; C279-C302 WeakPolarHBondContact SG-CB 3.41Å; C279-C302 CovalentContact SG-SG 2.04Å; C279-C302 PolarHBondContact SG-SG 3.36Å; I286-C302 PolarHBondContact O-SG 2.7Å; A288-C302 HydrophobicContact CB-CB 3.97Å; C302-I311 HydrophobicContact CB-CG2 3.89Å |
| 303 | T | 91.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 81 Ų | 81 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 168.5 | 173.9 | 34.6 | 0 | 0 | 0 | 0 | 111.7 | I311 E312 M316 | T303-I311 WeakPolarHBondContact O-CA 3.38Å; T303-E312 VanDerWaalsContact CB-OE2 3.29Å; T303-E312 WeakPolarHBondContact CB-OE2 3.48Å; T303-E312 PolarHBondContact O-N 2.9Å; T303-E312 PolarHBondContact OG1-OE2 2.94Å; T303-M316 HydrophobicContact CG2-CB 4.14Å; T303-M316 HydrophobicContact CG2-CE 3.97Å; T303-M316 HydrophobicContact CG2-CG 3.67Å; T303-M316 HydrophobicContact CG2-SD 3.75Å |
| 304 | Y | 90.3 | Very high | 88.9 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.2 | 175.8 | -67 | -95.4 | 0 | 0 | 0 | 109.7 | R310 I311 | Y304-R310 CarbonylContact C-O 3.57Å; Y304-R310 VanDerWaalsContact CA-O 3.25Å; Y304-R310 WeakPolarHBondContact CA-O 3.04Å; Y304-I311 HydrophobicContact CD1-CG1 3.84Å; Y304-I311 HydrophobicContact CE1-CD1 4.11Å; Y304-I311 HydrophobicContact CE1-CG1 3.45Å; Y304-I311 VanDerWaalsContact CE1-CG1 3.45Å |
| 305 | E | 89.4 | Confident | 89.3 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | trans | -64.5 | 134.4 | 177.8 | 175.4 | -176.2 | -128.9 | 0 | 0 | 110.8 | G307 T308 R310 E312 | E305-G307 PolarHBondContact O-N 2.86Å; E305-G307 VanDerWaalsContact O-N 3.15Å; E305-T308 HydrophobicContact CG-CG2 4.35Å; E305-T308 PolarHBondContact O-N 3.17Å; E305-T308 WeakPolarHBondContact OE2-CG2 3.35Å; E305-T308 PolarHBondContact OE2-OG1 3.26Å; E305-R310 PolarHBondContact N-O 3.09Å; E305-E312 HydrophobicContact CB-CG 4.45Å | ||
| 306 | E | 84.5 | Confident | 89.7 | Confident | 193 Ų | 193 | 78.8 Ų | 78.8 | 90% | 0.902 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 121.4 | -174.8 | -67.7 | -170.8 | 167 | 0 | 0 | 112.5 | T308 | E306-T308 VanDerWaalsContact C-N 3.32Å; E306-T308 PolarHBondContact O-N 3.23Å |
| 307 | G | 81.3 | Confident | 90.1 | Very high | 92 Ų | 92 | 73.7 Ų | 73.7 | 95% | 0.948 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 0.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E305 | E305-G307 PolarHBondContact O-N 2.86Å; E305-G307 VanDerWaalsContact O-N 3.15Å |
| 308 | T | 80.9 | Confident | 90.3 | Very high | 51 Ų | 51 | 75.8 Ų | 75.8 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -126.2 | 149.3 | 171.2 | 90.7 | 0 | 0 | 0 | 0 | 110.5 | E305 E306 R310 | E305-T308 HydrophobicContact CG-CG2 4.35Å; E305-T308 PolarHBondContact O-N 3.17Å; E305-T308 WeakPolarHBondContact OE2-CG2 3.35Å; E305-T308 PolarHBondContact OE2-OG1 3.26Å; E306-T308 VanDerWaalsContact C-N 3.32Å; E306-T308 PolarHBondContact O-N 3.23Å; T308-R310 PolarHBondContact O-N 2.82Å; T308-R310 VanDerWaalsContact OG1-CB 3.24Å; T308-R310 WeakPolarHBondContact OG1-CB 3.06Å; T308-R310 WeakPolarHBondContact OG1-CD 3.45Å; T308-R310 VanDerWaalsContact OG1-CG 3.27Å; T308-R310 WeakPolarHBondContact OG1-CG 3.01Å; T308-R310 PolarHBondContact OG1-N 2.88Å |
| 309 | W | 82.9 | Confident | 90.2 | Very high | 235 Ų | 235 | 85.1 Ų | 85.1 | 89% | 0.89 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -79.9 | 25.7 | 174.2 | -66.6 | 107.7 | 0 | 0 | 0 | 112.5 | ||
| 310 | R | 87.8 | Confident | 89.9 | Confident | 120 Ų | 120 | 87.8 Ų | 87.8 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 135.5 | -176.2 | -59.9 | 172 | 165.6 | -146.7 | -10.6 | 110 | Y304 E305 T308 | Y304-R310 CarbonylContact C-O 3.57Å; Y304-R310 VanDerWaalsContact CA-O 3.25Å; Y304-R310 WeakPolarHBondContact CA-O 3.04Å; E305-R310 PolarHBondContact N-O 3.09Å; T308-R310 PolarHBondContact O-N 2.82Å; T308-R310 VanDerWaalsContact OG1-CB 3.24Å; T308-R310 WeakPolarHBondContact OG1-CB 3.06Å; T308-R310 WeakPolarHBondContact OG1-CD 3.45Å; T308-R310 VanDerWaalsContact OG1-CG 3.27Å; T308-R310 WeakPolarHBondContact OG1-CG 3.01Å; T308-R310 PolarHBondContact OG1-N 2.88Å |
| 311 | I | 90.7 | Very high | 89.3 | Confident | 24 Ų | 24 | 97.5 Ų | 97.5 | 12% | 0.123 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 133.3 | 176 | -71 | 150.2 | 0 | 0 | 0 | 109.7 | P277 C279 A288 C302 T303 Y304 | P277-I311 HydrophobicContact CB-CD1 3.27Å; P277-I311 HydrophobicContact CG-CD1 4.33Å; C279-I311 HydrophobicContact CB-CG2 4.19Å; A288-I311 HydrophobicContact CB-CD1 3.42Å; A288-I311 VanDerWaalsContact CB-CD1 3.42Å; A288-I311 HydrophobicContact CB-CG1 4.04Å; C302-I311 HydrophobicContact CB-CG2 3.89Å; T303-I311 WeakPolarHBondContact O-CA 3.38Å; Y304-I311 HydrophobicContact CD1-CG1 3.84Å; Y304-I311 HydrophobicContact CE1-CD1 4.11Å; Y304-I311 HydrophobicContact CE1-CG1 3.45Å; Y304-I311 VanDerWaalsContact CE1-CG1 3.45Å |
| 312 | E | 91.8 | Very high | 88.3 | Confident | 72 Ų | 72 | 97.1 Ų | 97.1 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 136.1 | 171.8 | -62.7 | -167.9 | 131.3 | 0 | 0 | 109.8 | C279 T303 E305 Q314 | C279-E312 VanDerWaalsContact CB-O 3.22Å; C279-E312 WeakPolarHBondContact CB-O 3.3Å; T303-E312 VanDerWaalsContact CB-OE2 3.29Å; T303-E312 WeakPolarHBondContact CB-OE2 3.48Å; T303-E312 PolarHBondContact O-N 2.9Å; T303-E312 PolarHBondContact OG1-OE2 2.94Å; E305-E312 HydrophobicContact CB-CG 4.45Å; E312-Q314 PolarHBondContact O-N 2.04Å; E312-Q314 VanDerWaalsContact O-N 3.16Å |
| 313 | R | 91.9 | Very high | 87 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -19.8 | -177.6 | -69.6 | -177.3 | 178.4 | -87.5 | -2.8 | 113.2 | V260 F280 | V260-R313 HydrophobicContact CG1-CB 4.03Å; V260-R313 HydrophobicContact CG1-CG 4.17Å; F280-R313 PolarHBondContact N-O 3.17Å |
| 314 | Q | 93.6 | Very high | 85.4 | Confident | 104 Ų | 104 | 115.6 Ų | 115.6 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.3 | 178.2 | -161.9 | 69.2 | 20.6 | 0 | 0 | 109.5 | F280 E312 | F280-Q314 PolarHBondContact O-NE2 2.97Å; E312-Q314 PolarHBondContact O-N 2.04Å; E312-Q314 VanDerWaalsContact O-N 3.16Å |
| 315 | A | 94.2 | Very high | 83.7 | Confident | 10 Ų | 10 | 122.2 Ų | 122.2 | 8% | 0.083 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.4 | 147.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F280 A281 I286 C300 H301 | F280-A315 WeakPolarHBondContact O-CB 3.41Å; F280-A315 PolarHBondContact O-N 3.08Å; A281-A315 HydrophobicContact CB-CB 4.05Å; I286-A315 HydrophobicContact CD1-CB 3.88Å; I286-A315 HydrophobicContact CG1-CB 4.42Å; C300-A315 HydrophobicContact CB-CB 4.15Å; H301-A315 CarbonylContact O-C 3.6Å; H301-A315 VanDerWaalsContact O-CA 3.31Å; H301-A315 WeakPolarHBondContact O-CA 3.42Å; H301-A315 WeakPolarHBondContact O-CB 3.45Å |
| 316 | M | 93.7 | Very high | 83.5 | Confident | 103 Ų | 103 | 123.9 Ų | 123.9 | 51% | 0.507 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.4 | 161.4 | -68.7 | -160.5 | -172.5 | 0 | 0 | 109.5 | C300 H301 T303 | C300-M316 CarbonylContact C-O 3.56Å; C300-M316 VanDerWaalsContact CA-O 3.29Å; C300-M316 WeakPolarHBondContact CA-O 3.44Å; H301-M316 PolarHBondContact N-O 3.05Å; H301-M316 PolarHBondContact O-N 2.81Å; T303-M316 HydrophobicContact CG2-CB 4.14Å; T303-M316 HydrophobicContact CG2-CE 3.97Å; T303-M316 HydrophobicContact CG2-CG 3.67Å; T303-M316 HydrophobicContact CG2-SD 3.75Å |
| 317 | C | 92.9 | Very high | 83.4 | Confident | 49 Ų | 49 | 120.3 Ų | 120.3 | 33% | 0.331 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118 | 124.9 | -178.2 | -65.3 | 0 | 0 | 0 | 0 | 111 | T298 I299 C300 | T298-C317 HydrophobicContact CG2-CB 4Å; I299-C317 CarbonylContact O-C 3.55Å; I299-C317 WeakPolarHBondContact O-CA 3.32Å; C300-C317 HydrophobicContact CB-CB 4.14Å; C300-C317 WeakPolarHBondContact CB-SG 3.25Å; C300-C317 WeakPolarHBondContact SG-CB 2.99Å; C300-C317 CovalentContact SG-SG 2.04Å; C300-C317 PolarHBondContact SG-SG 3.34Å |
| 318 | T | 91.9 | Very high | 83.5 | Confident | 67 Ų | 67 | 121.8 Ų | 121.8 | 41% | 0.411 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.3 | 173.1 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | I299 H320 | I299-T318 PolarHBondContact N-O 2.68Å; I299-T318 PolarHBondContact O-N 3.23Å; I299-T318 PolarHBondContact O-OG1 2.79Å; T318-H320 PolarHBondContact OG1-NE2 3.02Å |
| 319 | R | 89.8 | Confident | 83.7 | Confident | 204 Ų | 204 | 126 Ų | 126 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.8 | 175.6 | -170.1 | 175.8 | -179.3 | 133.7 | -0.3 | 109.7 | C297 | C297-R319 HydrophobicContact CB-CG 4.2Å; C297-R319 CarbonylContact O-C 3.47Å; C297-R319 WeakPolarHBondContact O-CA 3.48Å |
| 320 | H | 85.4 | Confident | 83.7 | Confident | 103 Ų | 103 | 119.2 Ų | 119.2 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | trans | -102.3 | 159.2 | 179.4 | -63.3 | -88 | 0 | 0 | 0 | 111.4 | C297 T318 C322 | C297-H320 WeakPolarHBondContact CB-O 3.39Å; C297-H320 PolarHBondContact O-N 3.11Å; T318-H320 PolarHBondContact OG1-NE2 3.02Å; H320-C322 PolarHBondContact O-N 2.66Å; H320-C322 VanDerWaalsContact O-N 3.14Å | ||
| 321 | E | 81.3 | Confident | 83.5 | Confident | 203 Ų | 203 | 119.1 Ų | 119.1 | 95% | 0.949 | 55% | 0.552 | S | S | * | * | trans | -71.9 | 104.7 | 175.8 | -66.8 | -175 | 173.2 | 0 | 0 | 110.9 | ||||
| 322 | C | 73.9 | Confident | 82.9 | Confident | 50 Ų | 50 | 125.9 Ų | 125.9 | 34% | 0.338 | 58% | 0.583 | S | S | . | * | trans | -79.4 | 132 | 165.9 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | E296 C297 H320 Q324 | E296-C322 PolarHBondContact O-SG 3.12Å; C297-C322 WeakPolarHBondContact CA-SG 3.36Å; C297-C322 HydrophobicContact CB-CB 4.34Å; C297-C322 WeakPolarHBondContact CB-SG 3.39Å; C297-C322 PolarHBondContact N-SG 2.96Å; C297-C322 VanDerWaalsContact N-SG 3.45Å; C297-C322 WeakPolarHBondContact SG-CB 3.36Å; C297-C322 CovalentContact SG-SG 2.03Å; C297-C322 PolarHBondContact SG-SG 2.83Å; H320-C322 PolarHBondContact O-N 2.66Å; H320-C322 VanDerWaalsContact O-N 3.14Å; C322-Q324 PolarHBondContact O-N 2.75Å | ||
| 323 | R | 66 | Low | 82.3 | Confident | 224 Ų | 224 | 130.1 Ų | 130.1 | 85% | 0.845 | 60% | 0.602 | S | S | * | * | trans | -67.8 | 112.9 | 149.9 | -85.5 | -178 | 164.6 | 176.1 | -5.1 | 108.4 | M325 | R323-M325 PolarHBondContact O-N 3.36Š| ||
| 324 | Q | 60.2 | Low | 81.5 | Confident | 195 Ų | 195 | 130.1 Ų | 130.1 | 91% | 0.911 | 61% | 0.611 | S | S | * | * | trans | -57.3 | 123.2 | 151.2 | -75 | 175.9 | -39.6 | 0 | 0 | 107.1 | C322 | C322-Q324 PolarHBondContact O-N 2.75Š| ||
| 325 | M | 54.8 | Low | 80.4 | Confident | 249 Ų | 249 | 132.5 Ų | 132.5 | 100% | 1.227 | 62% | 0.623 | S | S | * | * | trans | -100.3 | 0 | 175.3 | -61.1 | -169.4 | -170.3 | 0 | 0 | 109.8 | R323 | R323-M325 PolarHBondContact O-N 3.36Š|
Retrieved 325 of 325 residues in 1630 ms
(Link to these results)