| 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 | 47 | Very low | 47.6 | Very low | 239 Ų | 239 | 126.8 Ų | 126.8 | 100% | 1.177 | 67% | 0.666 | S | S | * | * | 0 | 119.4 | 0 | -59.6 | -175.1 | -47.7 | 0 | 0 | 107.5 | |||||
| 2 | K | 43.2 | Very low | 47.1 | Very low | 180 Ų | 180 | 126.1 Ų | 126.1 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | trans | -82.3 | 129.4 | -167.9 | -73.5 | 175.3 | 173.7 | 177.4 | 0 | 110.4 | W4 A5 | K2-W4 PolarHBondContact O-N 3.43Å; K2-W4 VanDerWaalsContact O-N 3.09Å; K2-A5 PolarHBondContact O-N 3.48Å | ||
| 3 | P | 46.4 | Very low | 46.3 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -14.4 | -174.1 | 25.5 | -33.8 | 0 | 0 | 0 | 114 | A5 | P3-A5 PolarHBondContact O-N 3.08Š|
| 4 | W | 43 | Very low | 45.4 | Very low | 208 Ų | 208 | 124.4 Ų | 124.4 | 79% | 0.788 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71 | -29.6 | -179.7 | -154.4 | 2.8 | 0 | 0 | 0 | 113.7 | K2 V6 F7 C8 | K2-W4 PolarHBondContact O-N 3.43Å; K2-W4 VanDerWaalsContact O-N 3.09Å; W4-V6 VanDerWaalsContact C-N 3.33Å; W4-V6 PolarHBondContact O-N 2.97Å; W4-F7 PolarHBondContact O-N 3.42Å; W4-C8 PolarHBondContact O-N 3.27Å |
| 5 | A | 49.7 | Very low | 44.6 | Very low | 61 Ų | 61 | 127.4 Ų | 127.4 | 50% | 0.504 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.2 | -30.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K2 P3 L9 | K2-A5 PolarHBondContact O-N 3.48Å; P3-A5 PolarHBondContact O-N 3.08Å; A5-L9 PolarHBondContact O-N 3.41Å |
| 6 | V | 57.4 | Low | 43.9 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 66% | 0.655 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.6 | -33 | 177.8 | -177 | 0 | 0 | 0 | 0 | 110.8 | W4 L9 A10 | W4-V6 VanDerWaalsContact C-N 3.33Å; W4-V6 PolarHBondContact O-N 2.97Å; V6-L9 PolarHBondContact O-N 3.21Å; V6-A10 PolarHBondContact O-N 3.32Å; V6-A10 VanDerWaalsContact O-N 3.09Å |
| 7 | F | 49 | Very low | 43.2 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 61% | 0.614 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.8 | -35.6 | 178.3 | -147.9 | -96.9 | 0 | 0 | 0 | 112.4 | W4 A10 L11 | W4-F7 PolarHBondContact O-N 3.42Å; F7-A10 PolarHBondContact O-N 3.05Å; F7-L11 HydrophobicContact CD1-CD1 3.97Å; F7-L11 HydrophobicContact CE1-CD1 4.14Å; F7-L11 PolarHBondContact O-N 3.47Å |
| 8 | C | 48.9 | Very low | 42.7 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 46% | 0.459 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -69.4 | -34.6 | 173.6 | -70 | 0 | 0 | 0 | 0 | 113.1 | W4 L12 | W4-C8 PolarHBondContact O-N 3.27Å; C8-L12 PolarHBondContact O-N 2.8Å |
| 9 | L | 48.1 | Very low | 41.8 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -69.4 | -34.9 | 174.2 | -94 | 149.9 | 0 | 0 | 0 | 112.4 | A5 V6 L12 C13 | A5-L9 PolarHBondContact O-N 3.41Å; V6-L9 PolarHBondContact O-N 3.21Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-C13 PolarHBondContact O-N 2.96Å |
| 10 | A | 46.2 | Very low | 41.1 | Very low | 52 Ų | 52 | 129.6 Ų | 129.6 | 43% | 0.43 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -68.7 | -35.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V6 F7 C13 | V6-A10 PolarHBondContact O-N 3.32Å; V6-A10 VanDerWaalsContact O-N 3.09Å; F7-A10 PolarHBondContact O-N 3.05Å; A10-C13 PolarHBondContact O-N 2.98Å |
| 11 | L | 44.6 | Very low | 40.4 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 56% | 0.56 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71.2 | -31.7 | 176.5 | -76.9 | 163.3 | 0 | 0 | 0 | 112.8 | F7 | F7-L11 HydrophobicContact CD1-CD1 3.97Å; F7-L11 HydrophobicContact CE1-CD1 4.14Å; F7-L11 PolarHBondContact O-N 3.47Å |
| 12 | L | 42.2 | Very low | 39.6 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 62% | 0.618 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.3 | -27.8 | 173.9 | -88 | 154.7 | 0 | 0 | 0 | 113.2 | C8 L9 | C8-L12 PolarHBondContact O-N 2.8Å; L9-L12 PolarHBondContact O-N 2.96Å |
| 13 | C | 36.8 | Very low | 38.8 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 57% | 0.568 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.9 | -23.3 | 176.6 | -80.1 | 0 | 0 | 0 | 0 | 113.9 | L9 A10 | L9-C13 PolarHBondContact O-N 2.96Å; A10-C13 PolarHBondContact O-N 2.98Å |
| 14 | L | 33.4 | Very low | 38 | Very low | 144 Ų | 144 | 120.6 Ų | 120.6 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -76.7 | -24.5 | 178.4 | -102.3 | 89.7 | 0 | 0 | 0 | 113.6 | L16 | L14-L16 VanDerWaalsContact C-N 3.34Å |
| 15 | E | 32.5 | Very low | 37.1 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -6.5 | -179.3 | -72.4 | -69.3 | 162.8 | 0 | 0 | 113.9 | ||
| 16 | L | 33.3 | Very low | 36 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 0.8 | -172.7 | -88.3 | 161.1 | 0 | 0 | 0 | 115.4 | L14 | L14-L16 VanDerWaalsContact C-N 3.34Š|
| 17 | Q | 33.2 | Very low | 34.5 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -103 | 4.4 | -168.7 | -91.1 | -170.1 | -19.4 | 0 | 0 | 118.3 | ||||
| 18 | N | 33.2 | Very low | 33.4 | Very low | 176 Ų | 176 | 136 Ų | 136 | 94% | 0.941 | 72% | 0.72 | S | S | * | * | trans | -114.7 | 81.2 | 175.7 | -85 | -13.3 | 0 | 0 | 0 | 113.2 | ||||
| 19 | G | 26.2 | Very low | 32.3 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | trans | -129.6 | 90.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | C21 | G19-C21 PolarHBondContact O-N 3.09Š| ||
| 20 | S | 28.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -72.8 | 116.8 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 21 | C | 24.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -95.4 | 106.9 | 178.3 | -148.3 | 0 | 0 | 0 | 0 | 108.4 | G19 | G19-C21 PolarHBondContact O-N 3.09Š| ||
| 22 | Q | 30.2 | Very low | 29.3 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | trans | -93.9 | 106 | 171.5 | -73.9 | -172 | -14.9 | 0 | 0 | 110 | ||||
| 23 | A | 27.4 | Very low | 28.3 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 58% | 0.579 | 78% | 0.782 | S | S | * | * | trans | -94.3 | 109.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 24 | I | 29.8 | Very low | 27.7 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -96 | 104.9 | 171.2 | -62.4 | 173.8 | 0 | 0 | 0 | 108.4 | R26 | I24-R26 PolarHBondContact O-N 2.85Š| ||
| 25 | K | 24.9 | Very low | 27.3 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 107 | 169.6 | -78.8 | -176.2 | 177 | 177.6 | 0 | 109.7 | ||||
| 26 | R | 26.3 | Very low | 27.1 | Very low | 239 Ų | 239 | 146.1 Ų | 146.1 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -89.6 | 113.6 | 161.8 | -91.1 | -177.2 | 173.5 | 176.4 | -0.6 | 109.3 | I24 | I24-R26 PolarHBondContact O-N 2.85Š| ||
| 27 | K | 25.5 | Very low | 27.2 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -79.2 | 123.5 | 169.6 | -130 | -178.8 | 179.9 | -171.6 | 0 | 108.3 | ||||
| 28 | K | 25.1 | Very low | 26.7 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -106.1 | 108.8 | 171.1 | -177.1 | 177.6 | -179 | -178.6 | 0 | 106.5 | ||||
| 29 | D | 25.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.9 | 178 | -68.9 | -39.6 | 0 | 0 | 0 | 110.5 | ||
| 30 | A | 25.6 | Very low | 26.4 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 137.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 31 | V | 24.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 124.4 | 171.9 | 169.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 32 | E | 25.2 | Very low | 26.4 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -151.8 | 143.2 | 150.8 | -139.8 | 160.5 | -162.5 | 0 | 0 | 111.8 | ||||
| 33 | S | 22.7 | Very low | 26.2 | Very low | 99 Ų | 99 | 153.6 Ų | 153.6 | 69% | 0.692 | 83% | 0.833 | S | S | * | * | trans | -103.8 | 153.2 | -159.1 | 38.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 34 | S | 24.3 | Very low | 26.2 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | trans | 89.8 | 110.5 | 151.9 | 77.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 35 | A | 25 | Very low | 26 | Very low | 100 Ų | 100 | 159.7 Ų | 159.7 | 83% | 0.826 | 85% | 0.852 | S | S | * | * | 158.8 | 121.7 | 117.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 36 | H | 27.7 | Very low | 26.1 | Very low | 187 Ų | 187 | 158.7 Ų | 158.7 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | trans | -88.2 | 169.1 | 167 | -97 | 60.9 | 0 | 0 | 0 | 109.6 | ||||
| 37 | P | 34.8 | Very low | 26.1 | Very low | 126 Ų | 126 | 153 Ų | 153 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | cis | -147.7 | 164.2 | 31.4 | 36.7 | -14.2 | 0 | 0 | 0 | 119 | ||||
| 38 | G | 23.3 | Very low | 26.1 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | 113.2 | 105.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 39 | G | 26.5 | Very low | 26.2 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | 170.9 | 96.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 40 | K | 27.2 | Very low | 26.2 | Very low | 199 Ų | 199 | 146.5 Ų | 146.5 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | trans | -24.7 | 135.1 | 173.3 | -65.1 | 170.9 | 179.6 | 174.8 | 0 | 120.8 | ||||
| 41 | R | 26.9 | Very low | 26.3 | Very low | 246 Ų | 246 | 146.9 Ų | 146.9 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | trans | 60.4 | 117.7 | 139 | -73.3 | -177.9 | 176 | 178.9 | -1.3 | 121.1 | ||||
| 42 | A | 25.6 | Very low | 26.5 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | -170.5 | 128 | 110.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 43 | R | 27 | Very low | 26.9 | Very low | 258 Ų | 258 | 152.1 Ų | 152.1 | 97% | 0.974 | 84% | 0.843 | S | S | * | * | trans | -93.5 | 103.3 | -176.8 | -156.4 | -178.2 | -160.1 | -156.4 | 4.9 | 108.8 | ||||
| 44 | A | 26.8 | Very low | 27.4 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 116.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q46 | A44-Q46 PolarHBondContact O-N 3.09Š|
| 45 | R | 25.3 | Very low | 28.1 | Very low | 248 Ų | 248 | 154.1 Ų | 154.1 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.3 | 170.9 | -94.8 | 173.7 | 167.1 | 171.9 | -3.9 | 109.4 | ||
| 46 | Q | 27 | Very low | 29.5 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 128.3 | 160.1 | -73.2 | -175.7 | -18.6 | 0 | 0 | 109 | A44 A48 | A44-Q46 PolarHBondContact O-N 3.09Å; Q46-A48 PolarHBondContact O-N 3.09Å |
| 47 | P | 25.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76 | 122.2 | 168.6 | 10.3 | 2.6 | 0 | 0 | 0 | 109.2 | L49 | P47-L49 PolarHBondContact O-N 3.41Š|
| 48 | A | 25.2 | Very low | 33 | Very low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -63.4 | 114 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q46 T50 | Q46-A48 PolarHBondContact O-N 3.09Å; A48-T50 PolarHBondContact O-N 2.96Å; A48-T50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | L | 27.5 | Very low | 36 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -73.5 | 96.4 | 164.9 | -98.8 | 117.9 | 0 | 0 | 0 | 108.4 | P47 S51 | P47-L49 PolarHBondContact O-N 3.41Å; L49-S51 PolarHBondContact O-N 2.77Å | ||
| 50 | T | 26.3 | Very low | 39.2 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -57.5 | 119.3 | 165.7 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | A48 R52 | A48-T50 PolarHBondContact O-N 2.96Å; A48-T50 VanDerWaalsContact O-N 3.08Å; T50-R52 PolarHBondContact O-N 3.23Å | ||
| 51 | S | 27.6 | Very low | 42.4 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | trans | -66.4 | 96.1 | 172.7 | 53.5 | 0 | 0 | 0 | 0 | 110 | L49 K53 | L49-S51 PolarHBondContact O-N 2.77Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 2.86Å | ||
| 52 | R | 28.8 | Very low | 45.7 | Very low | 241 Ų | 241 | 120.8 Ų | 120.8 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | trans | -66.5 | 96.7 | 161.9 | -99.5 | -178 | 170.4 | -179.6 | -1.8 | 107.6 | T50 G54 | T50-R52 PolarHBondContact O-N 3.23Å; R52-G54 PolarHBondContact O-N 3.5Å | ||
| 53 | K | 33.5 | Very low | 48.9 | Very low | 203 Ų | 203 | 116.9 Ų | 116.9 | 88% | 0.883 | 61% | 0.61 | S | S | * | * | trans | -63.1 | 78.2 | 159.4 | -80.1 | -176.7 | 174.3 | 179.3 | 0 | 108.9 | S51 | S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 2.86Å | ||
| 54 | G | 33.1 | Very low | 51.9 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | trans | -72.9 | 120.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108 | R52 S56 | R52-G54 PolarHBondContact O-N 3.5Å; G54-S56 PolarHBondContact O-N 2.84Å | ||
| 55 | K | 40 | Very low | 54.6 | Low | 197 Ų | 197 | 109.7 Ų | 109.7 | 86% | 0.857 | 58% | 0.577 | S | S | * | * | trans | -52.3 | 109.7 | 170 | -68.6 | 175.3 | 176.5 | 178.8 | 0 | 107.9 | Q57 | K55-Q57 PolarHBondContact O-N 2.8Š| ||
| 56 | S | 53.5 | Low | 57.1 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 62% | 0.622 | 57% | 0.574 | S | S | * | * | trans | -58.4 | 107.9 | 174.9 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | G54 Y153 | G54-S56 PolarHBondContact O-N 2.84Å; S56-Y153 PolarHBondContact OG-OH 3.41Å; S56-Y153 VanDerWaalsContact OG-OH 3.09Å | ||
| 57 | Q | 65.4 | Low | 59.5 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | trans | -82.1 | 128.3 | 177.9 | -62.2 | -169.4 | -1.2 | 0 | 0 | 107.8 | K55 L59 Y153 | K55-Q57 PolarHBondContact O-N 2.8Å; Q57-L59 PolarHBondContact O-N 3.42Å; Q57-Y153 PolarHBondContact O-OH 3.3Å | ||
| 58 | S | 72.1 | Confident | 62.6 | Low | 36 Ų | 36 | 102.4 Ų | 102.4 | 25% | 0.252 | 55% | 0.547 | S | S | . | . | trans | -53 | 123.8 | 176.4 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | L60 | S58-L60 VanDerWaalsContact C-N 3.33Å; S58-L60 PolarHBondContact OG-O 2.85Å | ||
| 59 | L | 84.8 | Confident | 65.7 | Low | 33 Ų | 33 | 103.1 Ų | 103.1 | 17% | 0.173 | 53% | 0.534 | C | S | . | . | trans | -81.7 | -16.8 | 177.4 | -58.9 | 178.9 | 0 | 0 | 0 | 112 | Q57 C88 K89 V137 Y153 | Q57-L59 PolarHBondContact O-N 3.42Å; L59-C88 VanDerWaalsContact O-CA 3.3Å; L59-C88 WeakPolarHBondContact O-CA 3.21Å; L59-K89 HydrophobicContact CB-CB 4.33Å; L59-K89 HydrophobicContact CD2-CB 4.07Å; L59-K89 HydrophobicContact CD2-CD 4.34Å; L59-K89 PolarHBondContact O-N 3.41Å; L59-K89 VanDerWaalsContact O-N 3.09Å; L59-V137 HydrophobicContact CD1-CG2 4.36Å; L59-Y153 HydrophobicContact CB-CD2 3.68Å; L59-Y153 HydrophobicContact CB-CE2 3.66Å; L59-Y153 HydrophobicContact CB-CG 4.32Å; L59-Y153 HydrophobicContact CD1-CD2 3.94Å; L59-Y153 HydrophobicContact CD1-CE2 3.25Å; L59-Y153 HydrophobicContact CG-CD2 3.85Å; L59-Y153 HydrophobicContact CG-CE2 3.24Å | ||
| 60 | L | 94.4 | Very high | 68.8 | Low | 1 Ų | 1 | 98.6 Ų | 98.6 | 1% | 0.005 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.5 | -179.1 | -176.6 | 60.9 | 0 | 0 | 0 | 110.9 | S58 L72 L86 W95 | S58-L60 VanDerWaalsContact C-N 3.33Å; S58-L60 PolarHBondContact OG-O 2.85Å; L60-L72 HydrophobicContact CD2-CD1 4.28Å; L60-L72 HydrophobicContact CG-CD1 4.18Å; L60-L72 PolarHBondContact O-N 2.68Å; L60-L86 HydrophobicContact CD1-CB 4.3Å; L60-W95 HydrophobicContact CD1-CH2 3.65Å; L60-W95 HydrophobicContact CD1-CZ3 3.63Å |
| 61 | T | 95 | Very high | 71.9 | Confident | 21 Ų | 21 | 99.6 Ų | 99.6 | 13% | 0.129 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.3 | -176.6 | 53.2 | 0 | 0 | 0 | 0 | 111 | L70 R71 L86 R87 | T61-L70 CarbonylContact C-O 3.31Å; T61-L70 WeakPolarHBondContact CA-O 2.99Å; T61-L70 WeakPolarHBondContact CB-O 3.37Å; T61-R71 HydrophobicContact CG2-CG 3.98Å; T61-L86 CarbonylContact O-C 3.51Å; T61-L86 WeakPolarHBondContact O-CA 3.32Å; T61-R87 PolarHBondContact N-O 3.43Å; T61-R87 PolarHBondContact O-N 2.79Å; T61-R87 PolarHBondContact OG1-O 3.49Å |
| 62 | Q | 94.7 | Very high | 75 | Confident | 24 Ų | 24 | 94.9 Ų | 94.9 | 11% | 0.112 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.1 | 164.6 | -178.3 | -172.9 | 13.1 | 0 | 0 | 109.3 | L64 F69 L70 L72 E85 L86 | Q62-L64 HydrophobicContact CG-CD2 4.15Å; Q62-F69 WeakPolarHBondContact O-CA 3.14Å; Q62-L70 HydrophobicContact CB-CB 4.44Å; Q62-L70 PolarHBondContact N-O 2.69Å; Q62-L70 PolarHBondContact O-N 2.97Å; Q62-L72 HydrophobicContact CB-CD2 3.91Å; Q62-L72 HydrophobicContact CB-CG 4.41Å; Q62-E85 WeakPolarHBondContact CA-O 3.32Å; Q62-L86 HydrophobicContact CB-CD2 4.11Å; Q62-L86 HydrophobicContact CG-CD2 4.39Å |
| 63 | V | 93.2 | Very high | 78 | Confident | 23 Ų | 23 | 85.1 Ų | 85.1 | 14% | 0.139 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125 | 173.2 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | F69 E85 R87 | V63-F69 HydrophobicContact CB-CE1 4.45Å; V63-F69 HydrophobicContact CG1-CE1 4.16Å; V63-F69 HydrophobicContact CG2-CD1 3.87Å; V63-F69 HydrophobicContact CG2-CE1 3.7Å; V63-E85 HydrophobicContact CB-CB 3.96Å; V63-E85 HydrophobicContact CB-CG 3.75Å; V63-E85 HydrophobicContact CG2-CB 4.38Å; V63-E85 HydrophobicContact CG2-CG 3.69Å; V63-E85 VanDerWaalsContact CG2-OE1 3.28Å; V63-E85 WeakPolarHBondContact CG2-OE1 3.24Å; V63-E85 PolarHBondContact N-O 2.81Å; V63-R87 HydrophobicContact CG2-CB 3.9Å |
| 64 | L | 90.8 | Very high | 80.9 | Confident | 66 Ų | 66 | 81 Ų | 81 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 167.9 | -179.1 | -59.1 | 178.5 | 0 | 0 | 0 | 110.7 | Q62 G67 R68 L70 | Q62-L64 HydrophobicContact CG-CD2 4.15Å; L64-G67 PolarHBondContact O-N 2.87Å; L64-R68 HydrophobicContact CB-CB 4.18Å; L64-R68 PolarHBondContact N-O 3.48Å; L64-L70 HydrophobicContact CD1-CB 3.95Å; L64-L70 HydrophobicContact CG-CB 4.27Å |
| 65 | D | 82.5 | Confident | 83.8 | Confident | 135 Ų | 135 | 81.5 Ų | 81.5 | 72% | 0.722 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 142.1 | 174.7 | -61.6 | -33.9 | 0 | 0 | 0 | 112.4 | G67 R68 | D65-G67 VanDerWaalsContact C-N 3.33Å; D65-R68 PolarHBondContact O-NE 3.26Å |
| 66 | K | 78.3 | Confident | 86.4 | Confident | 198 Ų | 198 | 73.2 Ų | 73.2 | 86% | 0.861 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 28.2 | -179.3 | -48 | 178.6 | 178.5 | -177.4 | 0 | 113.8 | R68 | K66-R68 VanDerWaalsContact C-N 3.33Å; K66-R68 PolarHBondContact O-N 2.85Å |
| 67 | G | 77.9 | Confident | 88.4 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 52% | 0.515 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 23.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L64 D65 F69 | L64-G67 PolarHBondContact O-N 2.87Å; D65-G67 VanDerWaalsContact C-N 3.33Å; G67-F69 WeakPolarHBondContact O-CE2 3.3Å |
| 68 | R | 89.2 | Confident | 89.7 | Confident | 155 Ų | 155 | 67.6 Ų | 67.6 | 59% | 0.585 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 150.6 | 174.3 | -71.7 | -178.2 | -74.3 | 174.7 | -1.9 | 110 | L64 D65 K66 | L64-R68 HydrophobicContact CB-CB 4.18Å; L64-R68 PolarHBondContact N-O 3.48Å; D65-R68 PolarHBondContact O-NE 3.26Å; K66-R68 VanDerWaalsContact C-N 3.33Å; K66-R68 PolarHBondContact O-N 2.85Å |
| 69 | F | 91.3 | Very high | 90.6 | Very high | 108 Ų | 108 | 70.3 Ų | 70.3 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.8 | -179.4 | -59.3 | -87.7 | 0 | 0 | 0 | 110.1 | Q62 V63 G67 | Q62-F69 WeakPolarHBondContact O-CA 3.14Å; V63-F69 HydrophobicContact CB-CE1 4.45Å; V63-F69 HydrophobicContact CG1-CE1 4.16Å; V63-F69 HydrophobicContact CG2-CD1 3.87Å; V63-F69 HydrophobicContact CG2-CE1 3.7Å; G67-F69 WeakPolarHBondContact O-CE2 3.3Å |
| 70 | L | 92.4 | Very high | 91 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 41% | 0.414 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.7 | 172.9 | -179.4 | 65.1 | 0 | 0 | 0 | 109.2 | T61 Q62 L64 L72 | T61-L70 CarbonylContact C-O 3.31Å; T61-L70 WeakPolarHBondContact CA-O 2.99Å; T61-L70 WeakPolarHBondContact CB-O 3.37Å; Q62-L70 HydrophobicContact CB-CB 4.44Å; Q62-L70 PolarHBondContact N-O 2.69Å; Q62-L70 PolarHBondContact O-N 2.97Å; L64-L70 HydrophobicContact CD1-CB 3.95Å; L64-L70 HydrophobicContact CG-CB 4.27Å; L70-L72 PolarHBondContact O-N 3.1Å |
| 71 | R | 91.6 | Very high | 90.9 | Very high | 144 Ų | 144 | 72.8 Ų | 72.8 | 54% | 0.543 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.3 | 173.4 | -69.2 | 178 | -178.9 | -173 | -5.6 | 109.2 | T61 | T61-R71 HydrophobicContact CG2-CG 3.98Å |
| 72 | L | 93.5 | Very high | 90.6 | Very high | 10 Ų | 10 | 79.1 Ų | 79.1 | 5% | 0.052 | 43% | 0.431 | C | S | . | . | trans | -79 | 134.3 | 176.6 | -63.2 | -170.3 | 0 | 0 | 0 | 110.2 | L60 Q62 L70 T76 L86 | L60-L72 HydrophobicContact CD2-CD1 4.28Å; L60-L72 HydrophobicContact CG-CD1 4.18Å; L60-L72 PolarHBondContact O-N 2.68Å; Q62-L72 HydrophobicContact CB-CD2 3.91Å; Q62-L72 HydrophobicContact CB-CG 4.41Å; L70-L72 PolarHBondContact O-N 3.1Å; L72-T76 HydrophobicContact CD1-CG2 4.31Å; L72-T76 HydrophobicContact CD2-CG2 3.92Å; L72-L86 HydrophobicContact CD1-CD2 3.75Å | ||
| 73 | G | 91.8 | Very high | 90.5 | Very high | 36 Ų | 36 | 81.6 Ų | 81.6 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | trans | -81.6 | -165.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S75 S155 | G73-S75 PolarHBondContact O-N 2.98Å; G73-S155 VanDerWaalsContact O-CB 3.28Å; G73-S155 WeakPolarHBondContact O-CB 3.28Å; G73-S155 PolarHBondContact O-OG 3.28Å; G73-S155 VanDerWaalsContact O-OG 3.14Å | ||
| 74 | P | 92.8 | Very high | 90.6 | Very high | 116 Ų | 116 | 81 Ų | 81 | 75% | 0.753 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -61.3 | -32.4 | 175.3 | -22.6 | 33.8 | 0 | 0 | 0 | 113.1 | Y156 | P74-Y156 PolarHBondContact O-N 2.98Š|
| 75 | S | 94.9 | Very high | 90.8 | Very high | 73 Ų | 73 | 80.1 Ų | 80.1 | 51% | 0.51 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.1 | 173.7 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | G73 Y156 | G73-S75 PolarHBondContact O-N 2.98Å; S75-Y156 CarbonylContact C-O 3.54Å; S75-Y156 VanDerWaalsContact CA-O 3.22Å; S75-Y156 WeakPolarHBondContact CA-O 3.46Å |
| 76 | T | 94.7 | Very high | 91.4 | Very high | 24 Ų | 24 | 73.9 Ų | 73.9 | 15% | 0.147 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 149.9 | 177.2 | -168 | 0 | 0 | 0 | 0 | 110.6 | L72 L78 Y156 V157 Y158 | L72-T76 HydrophobicContact CD1-CG2 4.31Å; L72-T76 HydrophobicContact CD2-CG2 3.92Å; T76-L78 HydrophobicContact CG2-CG 4.38Å; T76-Y156 PolarHBondContact N-O 3.42Å; T76-V157 HydrophobicContact CG2-CB 4.2Å; T76-V157 HydrophobicContact CG2-CG1 4.13Å; T76-V157 HydrophobicContact CG2-CG2 3.76Å; T76-V157 WeakPolarHBondContact O-CA 3.43Å; T76-Y158 PolarHBondContact O-N 3.47Å |
| 77 | T | 95.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 66.7 Ų | 66.7 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.4 | 177.7 | -61 | 0 | 0 | 0 | 0 | 109.7 | Y158 T160 | T77-Y158 WeakPolarHBondContact CA-O 3.19Å; T77-T160 HydrophobicContact CG2-CG2 3.42Å; T77-T160 VanDerWaalsContact CG2-CG2 3.42Å |
| 78 | L | 93.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 154.7 | -179.9 | -59.4 | -174.9 | 0 | 0 | 0 | 110.6 | T76 V84 V157 Y158 F159 T160 | T76-L78 HydrophobicContact CG2-CG 4.38Å; L78-V84 HydrophobicContact CD1-CB 4.41Å; L78-V84 HydrophobicContact CD1-CG1 3.71Å; L78-V84 HydrophobicContact CD1-CG2 3.75Å; L78-V157 HydrophobicContact CB-CG1 4.3Å; L78-V157 HydrophobicContact CD1-CG1 3.53Å; L78-V157 HydrophobicContact CG-CG1 3.85Å; L78-Y158 PolarHBondContact N-O 2.7Å; L78-F159 HydrophobicContact CB-CD1 4.04Å; L78-F159 HydrophobicContact CB-CE1 3.85Å; L78-F159 HydrophobicContact CD1-CE1 4.26Å; L78-F159 HydrophobicContact CD1-CZ 4.32Å; L78-F159 WeakPolarHBondContact O-CA 3.19Å; L78-T160 PolarHBondContact O-N 2.03Å |
| 79 | T | 90.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 56% | 0.564 | 35% | 0.354 | S | S | * | . | trans | -85.2 | 133.4 | 178.4 | -46.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | P | 93.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 23% | 0.234 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 165.4 | 172 | 27.6 | -34.3 | 0 | 0 | 0 | 112 | K82 P125 T160 | P80-K82 PolarHBondContact O-N 2.84Å; P80-P125 CarbonylContact C-O 3.54Å; P80-P125 WeakPolarHBondContact CA-O 3.37Å; P80-P125 WeakPolarHBondContact CB-O 3.41Å; P80-T160 WeakPolarHBondContact CD-O 3.27Å; P80-T160 WeakPolarHBondContact CG-O 3.44Å |
| 81 | G | 90.9 | Very high | 92.8 | Very high | 51 Ų | 51 | 60.7 Ų | 60.7 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -27.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | P125 | G81-P125 PolarHBondContact N-O 2.74Š|
| 82 | K | 89.4 | Confident | 92.8 | Very high | 153 Ų | 153 | 57 Ų | 57 | 67% | 0.665 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -89.7 | 130.1 | 177.4 | -65.5 | -171.8 | 179.2 | -177 | 0 | 110.9 | P80 V84 P125 | P80-K82 PolarHBondContact O-N 2.84Å; K82-V84 PolarHBondContact O-N 2.95Å; K82-P125 WeakPolarHBondContact O-CD 3.4Å; K82-P125 WeakPolarHBondContact O-CG 3.36Å |
| 83 | S | 93.2 | Very high | 92.8 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 53% | 0.531 | 34% | 0.34 | S | S | . | . | trans | -55.3 | 134.1 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | L122 | S83-L122 CarbonylContact C-O 3.51Å; S83-L122 VanDerWaalsContact CA-O 3.31Å; S83-L122 WeakPolarHBondContact CA-O 3.19Å | ||
| 84 | V | 94.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.4 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 109 | L78 K82 L86 V121 L122 P125 F159 | L78-V84 HydrophobicContact CD1-CB 4.41Å; L78-V84 HydrophobicContact CD1-CG1 3.71Å; L78-V84 HydrophobicContact CD1-CG2 3.75Å; K82-V84 PolarHBondContact O-N 2.95Å; V84-L86 HydrophobicContact CG1-CD2 3.84Å; V84-L86 HydrophobicContact CG1-CG 4.06Å; V84-V121 WeakPolarHBondContact O-CA 3.16Å; V84-L122 PolarHBondContact N-O 3.25Å; V84-L122 PolarHBondContact O-N 3.13Å; V84-P125 HydrophobicContact CG2-CG 4.24Å; V84-F159 HydrophobicContact CG2-CE1 3.78Å; V84-F159 HydrophobicContact CG2-CZ 4.1Å |
| 85 | E | 95.3 | Very high | 93 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.5 | 171.1 | 178.4 | -176.9 | 159.8 | 0 | 0 | 109.2 | Q62 V63 R87 Q119 L120 V121 | Q62-E85 WeakPolarHBondContact CA-O 3.32Å; V63-E85 HydrophobicContact CB-CB 3.96Å; V63-E85 HydrophobicContact CB-CG 3.75Å; V63-E85 HydrophobicContact CG2-CB 4.38Å; V63-E85 HydrophobicContact CG2-CG 3.69Å; V63-E85 VanDerWaalsContact CG2-OE1 3.28Å; V63-E85 WeakPolarHBondContact CG2-OE1 3.24Å; V63-E85 PolarHBondContact N-O 2.81Å; E85-R87 IonicContact OE1-CZ 3.75Å; E85-R87 IonicContact OE1-NE 3.82Å; E85-R87 IonicContact OE1-NH2 2.85Å; E85-R87 PolarHBondContact OE1-NH2 3.23Å; E85-Q119 HydrophobicContact CG-CG 3.74Å; E85-Q119 VanDerWaalsContact CG-NE2 3.34Å; E85-Q119 PolarHBondContact OE1-NE2 3.03Å; E85-Q119 PolarHBondContact OE2-NE2 3.12Å; E85-L120 WeakPolarHBondContact CA-O 3.47Å; E85-V121 HydrophobicContact CG-CG2 4.28Å |
| 86 | L | 95.8 | Very high | 93 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141 | 170.7 | -57.6 | -174.3 | 0 | 0 | 0 | 109.6 | L60 T61 Q62 L72 V84 W95 Q119 L120 Y133 | L60-L86 HydrophobicContact CD1-CB 4.3Å; T61-L86 CarbonylContact O-C 3.51Å; T61-L86 WeakPolarHBondContact O-CA 3.32Å; Q62-L86 HydrophobicContact CB-CD2 4.11Å; Q62-L86 HydrophobicContact CG-CD2 4.39Å; L72-L86 HydrophobicContact CD1-CD2 3.75Å; V84-L86 HydrophobicContact CG1-CD2 3.84Å; V84-L86 HydrophobicContact CG1-CG 4.06Å; L86-W95 HydrophobicContact CB-CH2 4.06Å; L86-W95 HydrophobicContact CB-CZ3 4.32Å; L86-Q119 CarbonylContact O-C 3.59Å; L86-Q119 WeakPolarHBondContact O-CA 3.48Å; L86-L120 HydrophobicContact CB-CB 4.39Å; L86-L120 PolarHBondContact N-O 2.75Å; L86-L120 PolarHBondContact O-N 2.81Å; L86-Y133 HydrophobicContact CD1-CD1 3.86Å; L86-Y133 HydrophobicContact CD1-CG 4.08Å |
| 87 | R | 95.4 | Very high | 93 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 18% | 0.177 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.2 | -179.7 | -173.7 | 174.2 | -62.5 | -169.5 | 2.3 | 110.1 | T61 V63 E85 Y117 S118 | T61-R87 PolarHBondContact N-O 3.43Å; T61-R87 PolarHBondContact O-N 2.79Å; T61-R87 PolarHBondContact OG1-O 3.49Å; V63-R87 HydrophobicContact CG2-CB 3.9Å; E85-R87 IonicContact OE1-CZ 3.75Å; E85-R87 IonicContact OE1-NE 3.82Å; E85-R87 IonicContact OE1-NH2 2.85Å; E85-R87 PolarHBondContact OE1-NH2 3.23Å; R87-Y117 HydrophobicContact CG-CD2 3.53Å; R87-Y117 HydrophobicContact CG-CE2 4.29Å; R87-Y117 HydrophobicContact CG-CG 3.75Å; R87-S118 WeakPolarHBondContact CA-O 3.16Å |
| 88 | C | 95 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.1 | 175.1 | -166.6 | 0 | 0 | 0 | 0 | 110 | L59 G90 I93 W95 Y117 S118 C135 | L59-C88 VanDerWaalsContact O-CA 3.3Å; L59-C88 WeakPolarHBondContact O-CA 3.21Å; C88-G90 PolarHBondContact O-N 3.14Å; C88-I93 HydrophobicContact CB-CG2 4.01Å; C88-W95 HydrophobicContact CB-CH2 3.68Å; C88-W95 HydrophobicContact CB-CZ2 3.52Å; C88-Y117 CarbonylContact O-C 3.56Å; C88-Y117 VanDerWaalsContact O-CA 3.24Å; C88-Y117 WeakPolarHBondContact O-CA 3.31Å; C88-Y117 WeakPolarHBondContact O-CB 3.35Å; C88-S118 PolarHBondContact N-O 3.2Å; C88-S118 PolarHBondContact O-N 3.38Å; C88-C135 HydrophobicContact CB-CB 3.51Å; C88-C135 WeakPolarHBondContact CB-SG 3.32Å; C88-C135 WeakPolarHBondContact SG-CB 2.99Å; C88-C135 CovalentContact SG-SG 2.03Å; C88-C135 PolarHBondContact SG-SG 3.03Å |
| 89 | K | 91.8 | Very high | 92.5 | Very high | 146 Ų | 146 | 52.7 Ų | 52.7 | 64% | 0.635 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.3 | -176.7 | -177.9 | -178.7 | -179.6 | -177.5 | 0 | 111.4 | L59 | L59-K89 HydrophobicContact CB-CB 4.33Å; L59-K89 HydrophobicContact CD2-CB 4.07Å; L59-K89 HydrophobicContact CD2-CD 4.34Å; L59-K89 PolarHBondContact O-N 3.41Å; L59-K89 VanDerWaalsContact O-N 3.09Å |
| 90 | G | 89.6 | Confident | 92.1 | Very high | 19 Ų | 19 | 52 Ų | 52 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 149.1 | 166.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C88 K116 Y117 | C88-G90 PolarHBondContact O-N 3.14Å; G90-K116 PolarHBondContact N-O 2.9Å; G90-K116 CarbonylContact O-C 3.59Å; G90-K116 VanDerWaalsContact O-C 3.31Å; G90-Y117 CarbonylContact O-C 3.43Å; G90-Y117 WeakPolarHBondContact O-CA 3.12Å; G90-Y117 PolarHBondContact O-N 2.81Å; G90-Y117 VanDerWaalsContact O-N 3.09Å |
| 91 | T | 85.6 | Confident | 91.7 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 61% | 0.613 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -84.1 | -55.4 | -177.5 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | D115 | T91-D115 WeakPolarHBondContact CG2-O 3.39Š|
| 92 | N | 91.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -109.4 | 101.5 | -179.8 | -166 | 4.1 | 0 | 0 | 0 | 109.1 | V137 I138 | N92-V137 WeakPolarHBondContact O-CA 3.01Å; N92-I138 HydrophobicContact CB-CB 4.39Å; N92-I138 PolarHBondContact O-N 3.4Å |
| 93 | I | 94.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.5 | -172 | -63 | -61.2 | 0 | 0 | 0 | 109.8 | C88 H113 C135 W136 V137 | C88-I93 HydrophobicContact CB-CG2 4.01Å; I93-H113 PolarHBondContact O-CE1 3.35Å; I93-H113 VanDerWaalsContact O-CE1 3.31Å; I93-C135 HydrophobicContact CG2-CB 3.92Å; I93-W136 CarbonylContact C-O 3.6Å; I93-W136 VanDerWaalsContact CA-O 3.29Å; I93-W136 WeakPolarHBondContact CA-O 3.36Å; I93-V137 HydrophobicContact CD1-CG2 3.86Å |
| 94 | G | 94.2 | Very high | 89 | Confident | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 151.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C135 W136 | G94-C135 CarbonylContact O-C 3.54Å; G94-C135 WeakPolarHBondContact O-CA 3.48Å; G94-W136 PolarHBondContact N-O 3.27Å; G94-W136 PolarHBondContact O-N 3.44Å |
| 95 | W | 95 | Very high | 87.7 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 11% | 0.106 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148.2 | 178 | -73.7 | 97.4 | 0 | 0 | 0 | 111.2 | L60 L86 C88 Y97 I111 S118 L120 S134 C135 W136 | L60-W95 HydrophobicContact CD1-CH2 3.65Å; L60-W95 HydrophobicContact CD1-CZ3 3.63Å; L86-W95 HydrophobicContact CB-CH2 4.06Å; L86-W95 HydrophobicContact CB-CZ3 4.32Å; C88-W95 HydrophobicContact CB-CH2 3.68Å; C88-W95 HydrophobicContact CB-CZ2 3.52Å; W95-Y97 HydrophobicContact CB-CD1 4.16Å; W95-Y97 HydrophobicContact CB-CE1 4.12Å; W95-I111 HydrophobicContact CB-CD1 4.17Å; W95-I111 HydrophobicContact CG-CD1 4.31Å; W95-S118 PolarHBondContact NE1-OG 2.84Å; W95-L120 HydrophobicContact CD2-CB 4.24Å; W95-L120 HydrophobicContact CD2-CD1 4.06Å; W95-L120 HydrophobicContact CE3-CB 4.25Å; W95-L120 HydrophobicContact CE3-CD1 3.78Å; W95-L120 HydrophobicContact CG-CD1 4.44Å; W95-L120 HydrophobicContact CH2-CB 4.07Å; W95-L120 HydrophobicContact CZ2-CB 4.05Å; W95-L120 HydrophobicContact CZ3-CB 4.17Å; W95-L120 HydrophobicContact CZ3-CD1 4.26Å; W95-S134 CarbonylContact C-O 3.53Å; W95-S134 WeakPolarHBondContact CA-O 3.5Å; W95-C135 HydrophobicContact CD2-CB 4Å; W95-C135 HydrophobicContact CE3-CB 3.77Å; W95-C135 HydrophobicContact CH2-CB 4.12Å; W95-C135 HydrophobicContact CZ2-CB 4.32Å; W95-C135 HydrophobicContact CZ3-CB 3.84Å; W95-W136 WeakPolarHBondContact O-CH2 3.5Å |
| 96 | S | 94.8 | Very high | 86.8 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.9 | 163.9 | 159.4 | 0 | 0 | 0 | 0 | 108.6 | Y133 S134 | S96-Y133 CarbonylContact O-C 3.53Å; S96-Y133 WeakPolarHBondContact O-CA 3.4Å; S96-S134 WeakPolarHBondContact CB-OG 3.45Å; S96-S134 PolarHBondContact N-O 2.87Å; S96-S134 PolarHBondContact O-N 2.99Å |
| 97 | Y | 94.4 | Very high | 86.3 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | trans | -150.6 | 175.6 | -174.9 | 43.6 | -97 | 0 | 0 | 0 | 107.1 | W95 T99 L101 D102 L109 I111 L120 S132 | W95-Y97 HydrophobicContact CB-CD1 4.16Å; W95-Y97 HydrophobicContact CB-CE1 4.12Å; Y97-T99 PolarHBondContact O-N 3.02Å; Y97-L101 HydrophobicContact CD2-CB 4.09Å; Y97-L101 HydrophobicContact CD2-CD1 4.04Å; Y97-L101 HydrophobicContact CE2-CB 4.16Å; Y97-D102 WeakPolarHBondContact CE2-OD1 3.29Å; Y97-D102 PolarHBondContact OH-OD1 2.82Å; Y97-L109 HydrophobicContact CD1-CD2 4.43Å; Y97-L109 HydrophobicContact CD2-CD2 3.8Å; Y97-L109 HydrophobicContact CE1-CD2 4.04Å; Y97-L109 HydrophobicContact CE2-CD2 3.33Å; Y97-L109 HydrophobicContact CG-CD2 4.33Å; Y97-L109 VanDerWaalsContact CZ-CD2 3.47Å; Y97-I111 HydrophobicContact CD1-CD1 4.42Å; Y97-I111 HydrophobicContact CE1-CD1 3.58Å; Y97-L120 HydrophobicContact CD1-CD1 3.68Å; Y97-L120 HydrophobicContact CE1-CD1 4.34Å; Y97-L120 HydrophobicContact CG-CD1 4.33Å; Y97-S132 WeakPolarHBondContact CA-O 3.35Å | ||
| 98 | P | 91.8 | Very high | 86.1 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | trans | -53.7 | 123.3 | 178.2 | -28.8 | 37.4 | 0 | 0 | 0 | 112.5 | Y100 L101 Y133 | P98-Y100 HydrophobicContact CB-CD1 3.77Å; P98-Y100 HydrophobicContact CB-CE1 3.63Å; P98-Y100 PolarHBondContact O-N 2.05Å; P98-Y100 VanDerWaalsContact O-N 3.14Å; P98-L101 WeakPolarHBondContact O-CB 3.12Å; P98-L101 PolarHBondContact O-N 2.89Å; P98-L101 VanDerWaalsContact O-N 3.16Å; P98-Y133 HydrophobicContact CG-CE2 4.2Å | ||
| 99 | T | 85.8 | Confident | 86.1 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 69% | 0.687 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -62.5 | -24.2 | -169.2 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | Y97 L101 D102 | Y97-T99 PolarHBondContact O-N 3.02Å; T99-L101 PolarHBondContact O-N 3.31Å; T99-D102 WeakPolarHBondContact O-CB 3.48Å; T99-D102 PolarHBondContact O-N 3.28Å |
| 100 | Y | 82.3 | Confident | 86.1 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 30% | 0.302 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -65 | -20.8 | 179.8 | 81.8 | -90.4 | 0 | 0 | 0 | 112.9 | P98 D102 T103 A128 D129 | P98-Y100 HydrophobicContact CB-CD1 3.77Å; P98-Y100 HydrophobicContact CB-CE1 3.63Å; P98-Y100 PolarHBondContact O-N 2.05Å; P98-Y100 VanDerWaalsContact O-N 3.14Å; Y100-D102 PolarHBondContact O-N 3.1Å; Y100-T103 WeakPolarHBondContact CA-OG1 3.29Å; Y100-T103 PolarHBondContact O-N 2.78Å; Y100-T103 PolarHBondContact O-OG1 3.32Å; Y100-A128 WeakPolarHBondContact CE1-O 3.44Å; Y100-A128 PolarHBondContact OH-O 2.86Å; Y100-D129 WeakPolarHBondContact OH-CA 3.28Å; Y100-D129 WeakPolarHBondContact OH-CB 3.48Å; Y100-D129 PolarHBondContact OH-N 2.89Å; Y100-D129 PolarHBondContact OH-OD1 2.89Å |
| 101 | L | 86.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -66.3 | -24.6 | 173.9 | -70.8 | 170.9 | 0 | 0 | 0 | 112.2 | Y97 P98 T99 D106 R108 L109 L122 D129 | Y97-L101 HydrophobicContact CD2-CB 4.09Å; Y97-L101 HydrophobicContact CD2-CD1 4.04Å; Y97-L101 HydrophobicContact CE2-CB 4.16Å; P98-L101 WeakPolarHBondContact O-CB 3.12Å; P98-L101 PolarHBondContact O-N 2.89Å; P98-L101 VanDerWaalsContact O-N 3.16Å; T99-L101 PolarHBondContact O-N 3.31Å; L101-D106 HydrophobicContact CD2-CB 4.34Å; L101-D106 WeakPolarHBondContact O-CB 3.1Å; L101-D106 PolarHBondContact O-N 2.79Å; L101-R108 VanDerWaalsContact CD2-NH2 3.32Å; L101-L109 HydrophobicContact CB-CD2 4.1Å; L101-L109 HydrophobicContact CD1-CD2 4.42Å; L101-L122 HydrophobicContact CD1-CD1 4.43Å; L101-L122 HydrophobicContact CD2-CD1 4.11Å; L101-D129 WeakPolarHBondContact CD2-OD1 3.26Å |
| 102 | D | 82.2 | Confident | 86.7 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -26.7 | 176.4 | -63.9 | -44.5 | 0 | 0 | 0 | 112.4 | Y97 T99 Y100 F104 N105 | Y97-D102 WeakPolarHBondContact CE2-OD1 3.29Å; Y97-D102 PolarHBondContact OH-OD1 2.82Å; T99-D102 WeakPolarHBondContact O-CB 3.48Å; T99-D102 PolarHBondContact O-N 3.28Å; Y100-D102 PolarHBondContact O-N 3.1Å; D102-F104 PolarHBondContact O-N 2.85Å; D102-N105 PolarHBondContact O-N 3.4Å |
| 103 | T | 70.9 | Confident | 86.9 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.1 | -167.3 | -49.4 | 0 | 0 | 0 | 0 | 114 | Y100 | Y100-T103 WeakPolarHBondContact CA-OG1 3.29Å; Y100-T103 PolarHBondContact O-N 2.78Å; Y100-T103 PolarHBondContact O-OG1 3.32Å |
| 104 | F | 63.7 | Low | 86.7 | Confident | 182 Ų | 182 | 70 Ų | 70 | 80% | 0.798 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | 20.5 | -178.7 | -61 | -71.7 | 0 | 0 | 0 | 114.9 | D102 D106 | D102-F104 PolarHBondContact O-N 2.85Å; F104-D106 VanDerWaalsContact C-N 3.31Å; F104-D106 PolarHBondContact O-N 3.4Å |
| 105 | N | 67.1 | Low | 86.3 | Confident | 151 Ų | 151 | 76.2 Ų | 76.2 | 81% | 0.807 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 58.1 | -168 | -83.7 | -9.6 | 0 | 0 | 0 | 110.4 | D102 S107 | D102-N105 PolarHBondContact O-N 3.4Å; N105-S107 PolarHBondContact O-N 2.86Å |
| 106 | D | 76.5 | Confident | 86.1 | Confident | 42 Ų | 42 | 82.8 Ų | 82.8 | 23% | 0.225 | 43% | 0.434 | C | S | . | . | trans | -54.4 | 115.3 | -175.6 | -170.2 | -25.8 | 0 | 0 | 0 | 109.6 | L101 F104 R108 L109 | L101-D106 HydrophobicContact CD2-CB 4.34Å; L101-D106 WeakPolarHBondContact O-CB 3.1Å; L101-D106 PolarHBondContact O-N 2.79Å; F104-D106 VanDerWaalsContact C-N 3.31Å; F104-D106 PolarHBondContact O-N 3.4Å; D106-R108 PolarHBondContact O-N 2.84Å; D106-R108 WeakPolarHBondContact OD1-CB 3.3Å; D106-R108 WeakPolarHBondContact OD1-CG 3.49Å; D106-R108 PolarHBondContact OD1-N 2.77Å; D106-R108 IonicContact OD1-NE 3.6Å; D106-R108 PolarHBondContact OD1-NE 3.01Å; D106-R108 IonicContact OD2-CZ 3.11Å; D106-R108 VanDerWaalsContact OD2-CZ 3.29Å; D106-R108 IonicContact OD2-NE 3.57Å; D106-R108 PolarHBondContact OD2-NE 2.9Å; D106-R108 IonicContact OD2-NH2 3.07Å; D106-R108 PolarHBondContact OD2-NH2 2.91Å; D106-L109 PolarHBondContact O-N 2.94Å | ||
| 107 | S | 84.9 | Confident | 86 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 83% | 0.825 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | -176.8 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | N105 | N105-S107 PolarHBondContact O-N 2.86Š|
| 108 | R | 91.6 | Very high | 86 | Confident | 48 Ų | 48 | 81.8 Ų | 81.8 | 18% | 0.181 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -27.9 | 174.5 | -61.5 | -178.4 | -53.8 | 129.2 | 7.1 | 113.3 | L101 D106 L122 T123 S124 D129 | L101-R108 VanDerWaalsContact CD2-NH2 3.32Å; D106-R108 PolarHBondContact O-N 2.84Å; D106-R108 WeakPolarHBondContact OD1-CB 3.3Å; D106-R108 WeakPolarHBondContact OD1-CG 3.49Å; D106-R108 PolarHBondContact OD1-N 2.77Å; D106-R108 IonicContact OD1-NE 3.6Å; D106-R108 PolarHBondContact OD1-NE 3.01Å; D106-R108 IonicContact OD2-CZ 3.11Å; D106-R108 VanDerWaalsContact OD2-CZ 3.29Å; D106-R108 IonicContact OD2-NE 3.57Å; D106-R108 PolarHBondContact OD2-NE 2.9Å; D106-R108 IonicContact OD2-NH2 3.07Å; D106-R108 PolarHBondContact OD2-NH2 2.91Å; R108-L122 HydrophobicContact CB-CD1 4.11Å; R108-L122 WeakPolarHBondContact O-CA 3.42Å; R108-T123 VanDerWaalsContact CA-OG1 3.25Å; R108-T123 WeakPolarHBondContact CA-OG1 3.25Å; R108-T123 WeakPolarHBondContact CB-O 3.48Å; R108-T123 WeakPolarHBondContact CB-OG1 3.42Å; R108-T123 WeakPolarHBondContact CD-O 3.47Å; R108-T123 PolarHBondContact O-N 2.99Å; R108-T123 PolarHBondContact O-OG1 2.87Å; R108-S124 PolarHBondContact NH1-O 3.17Å; R108-D129 IonicContact CZ-OD1 2.96Å; R108-D129 IonicContact CZ-OD2 2.68Å; R108-D129 IonicContact NH1-OD1 2.63Å; R108-D129 PolarHBondContact NH1-OD1 2.99Å; R108-D129 IonicContact NH1-OD2 3.72Å; R108-D129 PolarHBondContact NH1-OD2 3.29Å; R108-D129 IonicContact NH2-OD1 3.71Å; R108-D129 PolarHBondContact NH2-OD1 3.21Å; R108-D129 IonicContact NH2-OD2 3.43Å |
| 109 | L | 93.2 | Very high | 86.2 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 14% | 0.141 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127 | -178.3 | -175 | 69.2 | 0 | 0 | 0 | 110.4 | Y97 L101 D106 L120 V121 L122 | Y97-L109 HydrophobicContact CD1-CD2 4.43Å; Y97-L109 HydrophobicContact CD2-CD2 3.8Å; Y97-L109 HydrophobicContact CE1-CD2 4.04Å; Y97-L109 HydrophobicContact CE2-CD2 3.33Å; Y97-L109 HydrophobicContact CG-CD2 4.33Å; Y97-L109 VanDerWaalsContact CZ-CD2 3.47Å; L101-L109 HydrophobicContact CB-CD2 4.1Å; L101-L109 HydrophobicContact CD1-CD2 4.42Å; D106-L109 PolarHBondContact O-N 2.94Å; L109-L120 HydrophobicContact CD1-CD1 4.13Å; L109-L120 HydrophobicContact CD1-CD2 3.69Å; L109-L120 HydrophobicContact CD1-CG 3.75Å; L109-V121 CarbonylContact C-O 3.55Å; L109-V121 WeakPolarHBondContact CA-O 3.22Å; L109-L122 HydrophobicContact CB-CD1 4.41Å; L109-L122 HydrophobicContact CD1-CD1 4.37Å |
| 110 | S | 93.4 | Very high | 86.7 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 33% | 0.329 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127.6 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | L120 V121 | S110-L120 CarbonylContact O-C 3.43Å; S110-L120 WeakPolarHBondContact O-CA 3.19Å; S110-V121 PolarHBondContact N-O 3.38Å; S110-V121 PolarHBondContact O-N 3.04Å |
| 111 | I | 94.5 | Very high | 87.3 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.4 | 175 | -59 | 175.5 | 0 | 0 | 0 | 108.8 | W95 Y97 Q119 L120 | W95-I111 HydrophobicContact CB-CD1 4.17Å; W95-I111 HydrophobicContact CG-CD1 4.31Å; Y97-I111 HydrophobicContact CD1-CD1 4.42Å; Y97-I111 HydrophobicContact CE1-CD1 3.58Å; I111-Q119 CarbonylContact C-O 3.5Å; I111-Q119 VanDerWaalsContact CA-O 3.29Å; I111-Q119 WeakPolarHBondContact CA-O 3.47Å; I111-L120 HydrophobicContact CD1-CD1 4.34Å; I111-L120 HydrophobicContact CG1-CB 4.37Å; I111-L120 HydrophobicContact CG1-CD1 4.39Å; I111-L120 HydrophobicContact CG1-CG 4.18Å |
| 112 | K | 93.5 | Very high | 87.7 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.8 | 179.6 | -62.9 | -176.9 | -177.5 | 178.3 | 0 | 109.8 | S118 Q119 | K112-S118 WeakPolarHBondContact O-CA 3.11Å; K112-S118 PolarHBondContact O-OG 2.86Å; K112-Q119 PolarHBondContact N-O 2.72Å; K112-Q119 PolarHBondContact O-N 3.39Å |
| 113 | H | 93.8 | Very high | 88.3 | Confident | 117 Ų | 117 | 73.4 Ų | 73.4 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 140 | 176.7 | -60.4 | -88.2 | 0 | 0 | 0 | 110.3 | I93 S118 | I93-H113 PolarHBondContact O-CE1 3.35Å; I93-H113 VanDerWaalsContact O-CE1 3.31Å; H113-S118 PolarHBondContact CE1-OG 2.91Å; H113-S118 VanDerWaalsContact CE1-OG 3.28Å; H113-S118 PolarHBondContact ND1-OG 2.86Å; H113-S118 VanDerWaalsContact ND1-OG 3.1Å |
| 114 | S | 90.7 | Very high | 89.4 | Confident | 50 Ų | 50 | 72.6 Ų | 72.6 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | trans | -134 | 163.5 | 174.8 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | K116 Y117 | S114-K116 PolarHBondContact O-N 2.84Å; S114-Y117 CarbonylContact C-O 3.54Å; S114-Y117 WeakPolarHBondContact CA-O 3.31Å; S114-Y117 VanDerWaalsContact CB-O 3.27Å; S114-Y117 WeakPolarHBondContact CB-O 3.43Å; S114-Y117 PolarHBondContact N-O 2.91Å; S114-Y117 PolarHBondContact O-N 2.85Å | ||
| 115 | D | 86.7 | Confident | 90.8 | Very high | 141 Ų | 141 | 64 Ų | 64 | 75% | 0.754 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -62.1 | -18.2 | -177.3 | -56.9 | -28.2 | 0 | 0 | 0 | 113.9 | T91 | T91-D115 WeakPolarHBondContact CG2-O 3.39Š|
| 116 | K | 89.8 | Confident | 92.1 | Very high | 165 Ų | 165 | 59 Ų | 59 | 72% | 0.717 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -116.6 | -18.6 | -177.1 | -63.3 | -176.8 | -175.9 | 175.5 | 0 | 113.7 | G90 S114 | G90-K116 PolarHBondContact N-O 2.9Å; G90-K116 CarbonylContact O-C 3.59Å; G90-K116 VanDerWaalsContact O-C 3.31Å; S114-K116 PolarHBondContact O-N 2.84Å |
| 117 | Y | 92.9 | Very high | 92.9 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 159.1 | -177 | 64 | -93.3 | 0 | 0 | 0 | 111 | R87 C88 G90 S114 Q119 | R87-Y117 HydrophobicContact CG-CD2 3.53Å; R87-Y117 HydrophobicContact CG-CE2 4.29Å; R87-Y117 HydrophobicContact CG-CG 3.75Å; C88-Y117 CarbonylContact O-C 3.56Å; C88-Y117 VanDerWaalsContact O-CA 3.24Å; C88-Y117 WeakPolarHBondContact O-CA 3.31Å; C88-Y117 WeakPolarHBondContact O-CB 3.35Å; G90-Y117 CarbonylContact O-C 3.43Å; G90-Y117 WeakPolarHBondContact O-CA 3.12Å; G90-Y117 PolarHBondContact O-N 2.81Å; G90-Y117 VanDerWaalsContact O-N 3.09Å; S114-Y117 CarbonylContact C-O 3.54Å; S114-Y117 WeakPolarHBondContact CA-O 3.31Å; S114-Y117 VanDerWaalsContact CB-O 3.27Å; S114-Y117 WeakPolarHBondContact CB-O 3.43Å; S114-Y117 PolarHBondContact N-O 2.91Å; S114-Y117 PolarHBondContact O-N 2.85Å; Y117-Q119 HydrophobicContact CD2-CB 4.18Å; Y117-Q119 HydrophobicContact CE2-CB 4Å |
| 118 | S | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 145.5 | 162 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | R87 C88 W95 K112 H113 | R87-S118 WeakPolarHBondContact CA-O 3.16Å; C88-S118 PolarHBondContact N-O 3.2Å; C88-S118 PolarHBondContact O-N 3.38Å; W95-S118 PolarHBondContact NE1-OG 2.84Å; K112-S118 WeakPolarHBondContact O-CA 3.11Å; K112-S118 PolarHBondContact O-OG 2.86Å; H113-S118 PolarHBondContact CE1-OG 2.91Å; H113-S118 VanDerWaalsContact CE1-OG 3.28Å; H113-S118 PolarHBondContact ND1-OG 2.86Å; H113-S118 VanDerWaalsContact ND1-OG 3.1Å |
| 119 | Q | 95.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.1 | -174.9 | 179.9 | -178 | -13.1 | 0 | 0 | 109.4 | E85 L86 I111 K112 Y117 V121 | E85-Q119 HydrophobicContact CG-CG 3.74Å; E85-Q119 VanDerWaalsContact CG-NE2 3.34Å; E85-Q119 PolarHBondContact OE1-NE2 3.03Å; E85-Q119 PolarHBondContact OE2-NE2 3.12Å; L86-Q119 CarbonylContact O-C 3.59Å; L86-Q119 WeakPolarHBondContact O-CA 3.48Å; I111-Q119 CarbonylContact C-O 3.5Å; I111-Q119 VanDerWaalsContact CA-O 3.29Å; I111-Q119 WeakPolarHBondContact CA-O 3.47Å; K112-Q119 PolarHBondContact N-O 2.72Å; K112-Q119 PolarHBondContact O-N 3.39Å; Y117-Q119 HydrophobicContact CD2-CB 4.18Å; Y117-Q119 HydrophobicContact CE2-CB 4Å; Q119-V121 HydrophobicContact CG-CG2 3.95Å; Q119-V121 VanDerWaalsContact NE2-CG2 3.29Å |
| 120 | L | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.5 | 171.1 | -178.7 | 158.9 | 0 | 0 | 0 | 107.9 | E85 L86 W95 Y97 L109 S110 I111 L122 Y133 | E85-L120 WeakPolarHBondContact CA-O 3.47Å; L86-L120 HydrophobicContact CB-CB 4.39Å; L86-L120 PolarHBondContact N-O 2.75Å; L86-L120 PolarHBondContact O-N 2.81Å; W95-L120 HydrophobicContact CD2-CB 4.24Å; W95-L120 HydrophobicContact CD2-CD1 4.06Å; W95-L120 HydrophobicContact CE3-CB 4.25Å; W95-L120 HydrophobicContact CE3-CD1 3.78Å; W95-L120 HydrophobicContact CG-CD1 4.44Å; W95-L120 HydrophobicContact CH2-CB 4.07Å; W95-L120 HydrophobicContact CZ2-CB 4.05Å; W95-L120 HydrophobicContact CZ3-CB 4.17Å; W95-L120 HydrophobicContact CZ3-CD1 4.26Å; Y97-L120 HydrophobicContact CD1-CD1 3.68Å; Y97-L120 HydrophobicContact CE1-CD1 4.34Å; Y97-L120 HydrophobicContact CG-CD1 4.33Å; L109-L120 HydrophobicContact CD1-CD1 4.13Å; L109-L120 HydrophobicContact CD1-CD2 3.69Å; L109-L120 HydrophobicContact CD1-CG 3.75Å; S110-L120 CarbonylContact O-C 3.43Å; S110-L120 WeakPolarHBondContact O-CA 3.19Å; I111-L120 HydrophobicContact CD1-CD1 4.34Å; I111-L120 HydrophobicContact CG1-CB 4.37Å; I111-L120 HydrophobicContact CG1-CD1 4.39Å; I111-L120 HydrophobicContact CG1-CG 4.18Å; L120-L122 HydrophobicContact CD2-CB 4.48Å; L120-Y133 HydrophobicContact CD2-CE1 4.49Å |
| 121 | V | 95.1 | Very high | 93.7 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.3 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | V84 E85 L109 S110 Q119 T123 | V84-V121 WeakPolarHBondContact O-CA 3.16Å; E85-V121 HydrophobicContact CG-CG2 4.28Å; L109-V121 CarbonylContact C-O 3.55Å; L109-V121 WeakPolarHBondContact CA-O 3.22Å; S110-V121 PolarHBondContact N-O 3.38Å; S110-V121 PolarHBondContact O-N 3.04Å; Q119-V121 HydrophobicContact CG-CG2 3.95Å; Q119-V121 VanDerWaalsContact NE2-CG2 3.29Å; V121-T123 HydrophobicContact CG1-CG2 4.27Å |
| 122 | L | 95.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.3 | 172.6 | -179 | 62.9 | 0 | 0 | 0 | 108.6 | S83 V84 L101 R108 L109 L120 P125 D129 F159 | S83-L122 CarbonylContact C-O 3.51Å; S83-L122 VanDerWaalsContact CA-O 3.31Å; S83-L122 WeakPolarHBondContact CA-O 3.19Å; V84-L122 PolarHBondContact N-O 3.25Å; V84-L122 PolarHBondContact O-N 3.13Å; L101-L122 HydrophobicContact CD1-CD1 4.43Å; L101-L122 HydrophobicContact CD2-CD1 4.11Å; R108-L122 HydrophobicContact CB-CD1 4.11Å; R108-L122 WeakPolarHBondContact O-CA 3.42Å; L109-L122 HydrophobicContact CB-CD1 4.41Å; L109-L122 HydrophobicContact CD1-CD1 4.37Å; L120-L122 HydrophobicContact CD2-CB 4.48Å; L122-P125 HydrophobicContact CD2-CB 3.91Å; L122-P125 HydrophobicContact CG-CB 4.25Å; L122-D129 HydrophobicContact CD2-CB 3.82Å; L122-F159 HydrophobicContact CD2-CZ 4.33Å |
| 123 | T | 94.4 | Very high | 93.9 | Very high | 52 Ų | 52 | 41 Ų | 41 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -87.5 | 143.3 | 178.1 | 63.7 | 0 | 0 | 0 | 0 | 111 | R108 V121 | R108-T123 VanDerWaalsContact CA-OG1 3.25Å; R108-T123 WeakPolarHBondContact CA-OG1 3.25Å; R108-T123 WeakPolarHBondContact CB-O 3.48Å; R108-T123 WeakPolarHBondContact CB-OG1 3.42Å; R108-T123 WeakPolarHBondContact CD-O 3.47Å; R108-T123 PolarHBondContact O-N 2.99Å; R108-T123 PolarHBondContact O-OG1 2.87Å; V121-T123 HydrophobicContact CG1-CG2 4.27Å |
| 124 | S | 93.3 | Very high | 94 | Very high | 73 Ų | 73 | 36 Ų | 36 | 51% | 0.51 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 45.6 | 59.2 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 114.1 | R108 | R108-S124 PolarHBondContact NH1-O 3.17Š|
| 125 | P | 94.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | trans | -67.6 | 156.1 | 177.7 | 29.6 | -35 | 0 | 0 | 0 | 111.7 | P80 G81 K82 V84 L122 D129 F159 | P80-P125 CarbonylContact C-O 3.54Å; P80-P125 WeakPolarHBondContact CA-O 3.37Å; P80-P125 WeakPolarHBondContact CB-O 3.41Å; G81-P125 PolarHBondContact N-O 2.74Å; K82-P125 WeakPolarHBondContact O-CD 3.4Å; K82-P125 WeakPolarHBondContact O-CG 3.36Å; V84-P125 HydrophobicContact CG2-CG 4.24Å; L122-P125 HydrophobicContact CD2-CB 3.91Å; L122-P125 HydrophobicContact CG-CB 4.25Å; P125-D129 WeakPolarHBondContact CA-OD2 3.15Å; P125-D129 HydrophobicContact CB-CB 4.3Å; P125-F159 HydrophobicContact CB-CD1 3.7Å; P125-F159 HydrophobicContact CB-CE1 3.35Å; P125-F159 HydrophobicContact CB-CE2 4.27Å; P125-F159 HydrophobicContact CB-CG 4.29Å; P125-F159 HydrophobicContact CB-CZ 3.66Å; P125-F159 HydrophobicContact CG-CD1 3.91Å; P125-F159 HydrophobicContact CG-CE1 3.45Å; P125-F159 VanDerWaalsContact CG-CE1 3.45Å; P125-F159 HydrophobicContact CG-CZ 4.14Å | ||
| 126 | S | 94.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 28.7 Ų | 28.7 | 32% | 0.315 | 16% | 0.158 | S | C | . | . | trans | -134.6 | 175.9 | -175.4 | 68.7 | 0 | 0 | 0 | 0 | 110.1 | A128 D129 F159 | S126-A128 PolarHBondContact O-N 2.64Å; S126-A128 PolarHBondContact OG-N 3.01Å; S126-D129 PolarHBondContact N-OD2 3.34Å; S126-D129 WeakPolarHBondContact O-CB 3.42Å; S126-D129 PolarHBondContact O-N 3.45Å; S126-D129 PolarHBondContact OG-OD2 3.45Å; S126-F159 VanDerWaalsContact O-CB 3.29Å; S126-F159 WeakPolarHBondContact O-CB 3.39Å | ||
| 127 | A | 94.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -50.1 | -37.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D129 T130 D161 N164 P168 T191 | A127-D129 PolarHBondContact O-N 2.98Å; A127-T130 VanDerWaalsContact O-CB 3.26Å; A127-T130 WeakPolarHBondContact O-CB 3.25Å; A127-T130 PolarHBondContact O-N 3.1Å; A127-T130 PolarHBondContact O-OG1 3.26Å; A127-D161 HydrophobicContact CB-CB 3.95Å; A127-N164 HydrophobicContact CB-CB 3.53Å; A127-P168 HydrophobicContact CB-CG 4.39Å; A127-T191 HydrophobicContact CB-CG2 3.79Å |
| 128 | A | 92.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 19% | 0.19 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -62.2 | -29.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y100 S126 T130 P168 | Y100-A128 WeakPolarHBondContact CE1-O 3.44Å; Y100-A128 PolarHBondContact OH-O 2.86Å; S126-A128 PolarHBondContact O-N 2.64Å; S126-A128 PolarHBondContact OG-N 3.01Å; A128-T130 PolarHBondContact O-N 3.25Å; A128-T130 VanDerWaalsContact O-N 3.13Å; A128-P168 HydrophobicContact CB-CG 4.38Å |
| 129 | D | 94.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -77.3 | 1.6 | -176.2 | -56.4 | -76.7 | 0 | 0 | 0 | 112.2 | Y100 L101 R108 L122 P125 S126 A127 Y133 F159 | Y100-D129 WeakPolarHBondContact OH-CA 3.28Å; Y100-D129 WeakPolarHBondContact OH-CB 3.48Å; Y100-D129 PolarHBondContact OH-N 2.89Å; Y100-D129 PolarHBondContact OH-OD1 2.89Å; L101-D129 WeakPolarHBondContact CD2-OD1 3.26Å; R108-D129 IonicContact CZ-OD1 2.96Å; R108-D129 IonicContact CZ-OD2 2.68Å; R108-D129 IonicContact NH1-OD1 2.63Å; R108-D129 PolarHBondContact NH1-OD1 2.99Å; R108-D129 IonicContact NH1-OD2 3.72Å; R108-D129 PolarHBondContact NH1-OD2 3.29Å; R108-D129 IonicContact NH2-OD1 3.71Å; R108-D129 PolarHBondContact NH2-OD1 3.21Å; R108-D129 IonicContact NH2-OD2 3.43Å; L122-D129 HydrophobicContact CD2-CB 3.82Å; P125-D129 WeakPolarHBondContact CA-OD2 3.15Å; P125-D129 HydrophobicContact CB-CB 4.3Å; S126-D129 PolarHBondContact N-OD2 3.34Å; S126-D129 WeakPolarHBondContact O-CB 3.42Å; S126-D129 PolarHBondContact O-N 3.45Å; S126-D129 PolarHBondContact OG-OD2 3.45Å; A127-D129 PolarHBondContact O-N 2.98Å; D129-Y133 WeakPolarHBondContact O-CE2 3.41Å; D129-Y133 PolarHBondContact O-OH 2.94Å; D129-F159 VanDerWaalsContact C-CD2 3.49Å; D129-F159 HydrophobicContact CB-CD2 3.86Å; D129-F159 HydrophobicContact CB-CE2 3.87Å; D129-F159 WeakPolarHBondContact O-CD2 3.4Å; D129-F159 WeakPolarHBondContact O-CE2 3.17Å |
| 130 | T | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -68.3 | 126 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | A127 A128 Y156 V157 Y158 F159 V167 R189 | A127-T130 VanDerWaalsContact O-CB 3.26Å; A127-T130 WeakPolarHBondContact O-CB 3.25Å; A127-T130 PolarHBondContact O-N 3.1Å; A127-T130 PolarHBondContact O-OG1 3.26Å; A128-T130 PolarHBondContact O-N 3.25Å; A128-T130 VanDerWaalsContact O-N 3.13Å; T130-Y156 HydrophobicContact CG2-CE1 3.73Å; T130-V157 WeakPolarHBondContact CA-O 3.33Å; T130-V157 WeakPolarHBondContact CG2-O 3.26Å; T130-Y158 HydrophobicContact CG2-CD1 4.16Å; T130-F159 PolarHBondContact OG1-N 3.31Å; T130-V167 HydrophobicContact CG2-CG2 3.65Å; T130-R189 PolarHBondContact O-NH1 3.16Å | ||
| 131 | G | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | -166.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y133 Y156 V157 | G131-Y133 WeakPolarHBondContact O-CD2 3.41Å; G131-Y156 WeakPolarHBondContact O-CA 3.5Å; G131-V157 PolarHBondContact N-O 2.8Å; G131-V157 VanDerWaalsContact N-O 3.12Å; G131-V157 PolarHBondContact O-N 2.89Å |
| 132 | S | 95.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 127.8 | 177.9 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | Y97 | Y97-S132 WeakPolarHBondContact CA-O 3.35Å |
| 133 | Y | 96.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.7 | 169.5 | -69 | -103.4 | 0 | 0 | 0 | 107.6 | L86 S96 P98 L120 D129 G131 A154 S155 V157 F159 | L86-Y133 HydrophobicContact CD1-CD1 3.86Å; L86-Y133 HydrophobicContact CD1-CG 4.08Å; S96-Y133 CarbonylContact O-C 3.53Å; S96-Y133 WeakPolarHBondContact O-CA 3.4Å; P98-Y133 HydrophobicContact CG-CE2 4.2Å; L120-Y133 HydrophobicContact CD2-CE1 4.49Å; D129-Y133 WeakPolarHBondContact O-CE2 3.41Å; D129-Y133 PolarHBondContact O-OH 2.94Å; G131-Y133 WeakPolarHBondContact O-CD2 3.41Å; Y133-A154 CarbonylContact O-C 3.57Å; Y133-A154 WeakPolarHBondContact O-CA 3.39Å; Y133-S155 PolarHBondContact N-O 3.36Å; Y133-S155 PolarHBondContact O-N 3.01Å; Y133-V157 HydrophobicContact CD2-CB 3.66Å; Y133-V157 HydrophobicContact CD2-CG2 3.44Å; Y133-V157 VanDerWaalsContact CD2-CG2 3.44Å; Y133-V157 HydrophobicContact CE2-CB 3.79Å; Y133-V157 HydrophobicContact CE2-CG2 4.05Å; Y133-V157 HydrophobicContact CG-CG2 4.03Å; Y133-F159 HydrophobicContact CE2-CE2 4.35Å |
| 134 | S | 95.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.8 | -178.3 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | W95 S96 Y153 | W95-S134 CarbonylContact C-O 3.53Å; W95-S134 WeakPolarHBondContact CA-O 3.5Å; S96-S134 WeakPolarHBondContact CB-OG 3.45Å; S96-S134 PolarHBondContact N-O 2.87Å; S96-S134 PolarHBondContact O-N 2.99Å; S134-Y153 CarbonylContact C-O 3.54Å; S134-Y153 WeakPolarHBondContact CA-O 3.15Å; S134-Y153 VanDerWaalsContact CB-O 3.31Å; S134-Y153 WeakPolarHBondContact CB-O 3.43Å |
| 135 | C | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.3 | 172.1 | 69.7 | 0 | 0 | 0 | 0 | 110.5 | C88 I93 G94 W95 Y153 | C88-C135 HydrophobicContact CB-CB 3.51Å; C88-C135 WeakPolarHBondContact CB-SG 3.32Å; C88-C135 WeakPolarHBondContact SG-CB 2.99Å; C88-C135 CovalentContact SG-SG 2.03Å; C88-C135 PolarHBondContact SG-SG 3.03Å; I93-C135 HydrophobicContact CG2-CB 3.92Å; G94-C135 CarbonylContact O-C 3.54Å; G94-C135 WeakPolarHBondContact O-CA 3.48Å; W95-C135 HydrophobicContact CD2-CB 4Å; W95-C135 HydrophobicContact CE3-CB 3.77Å; W95-C135 HydrophobicContact CH2-CB 4.12Å; W95-C135 HydrophobicContact CZ2-CB 4.32Å; W95-C135 HydrophobicContact CZ3-CB 3.84Å; C135-Y153 PolarHBondContact N-O 2.92Å; C135-Y153 PolarHBondContact O-N 3.16Å |
| 136 | W | 94.8 | Very high | 92 | Very high | 38 Ų | 38 | 51 Ų | 51 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 152.5 | 178 | 57.7 | 92.3 | 0 | 0 | 0 | 111.5 | I93 G94 W95 R147 R151 T152 | I93-W136 CarbonylContact C-O 3.6Å; I93-W136 VanDerWaalsContact CA-O 3.29Å; I93-W136 WeakPolarHBondContact CA-O 3.36Å; G94-W136 PolarHBondContact N-O 3.27Å; G94-W136 PolarHBondContact O-N 3.44Å; W95-W136 WeakPolarHBondContact O-CH2 3.5Å; W136-R147 HydrophobicContact CB-CG 3.97Å; W136-R147 VanDerWaalsContact CD1-CG 3.49Å; W136-R147 HydrophobicContact CD2-CG 4.36Å; W136-R147 HydrophobicContact CG-CB 4.37Å; W136-R147 HydrophobicContact CG-CG 3.66Å; W136-R151 VanDerWaalsContact CA-O 3.32Å; W136-R151 WeakPolarHBondContact CA-O 3.45Å; W136-T152 HydrophobicContact CB-CG2 4.23Å; W136-T152 VanDerWaalsContact CB-OG1 3.3Å; W136-T152 WeakPolarHBondContact CB-OG1 3.36Å |
| 137 | V | 93.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135 | 170 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | L59 N92 I93 V139 D148 R151 | L59-V137 HydrophobicContact CD1-CG2 4.36Å; N92-V137 WeakPolarHBondContact O-CA 3.01Å; I93-V137 HydrophobicContact CD1-CG2 3.86Å; V137-V139 HydrophobicContact CG1-CG2 4.29Å; V137-D148 HydrophobicContact CB-CB 4.21Å; V137-D148 VanDerWaalsContact O-CB 3.25Å; V137-D148 WeakPolarHBondContact O-CB 3.37Å; V137-D148 PolarHBondContact O-N 2.76Å; V137-R151 HydrophobicContact CB-CB 4.07Å; V137-R151 HydrophobicContact CG2-CB 3.79Å; V137-R151 PolarHBondContact N-O 2.87Å |
| 138 | I | 92.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 56 Ų | 56 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.7 | 172 | -60.7 | 167.3 | 0 | 0 | 0 | 107.6 | N92 C145 | N92-I138 HydrophobicContact CB-CB 4.39Å; N92-I138 PolarHBondContact O-N 3.4Å; I138-C145 HydrophobicContact CG2-CB 3.82Å |
| 139 | V | 90.7 | Very high | 91.3 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 42% | 0.418 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | V137 C145 Q146 D148 R151 | V137-V139 HydrophobicContact CG1-CG2 4.29Å; V139-C145 WeakPolarHBondContact O-CA 3.36Å; V139-Q146 PolarHBondContact N-O 3.16Å; V139-Q146 PolarHBondContact O-N 3.38Å; V139-D148 HydrophobicContact CG2-CB 4.14Å; V139-R151 VanDerWaalsContact CG2-NH2 3.26Å |
| 140 | C | 90 | Very high | 91 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130 | 178 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | E144 C145 | C140-E144 CarbonylContact C-O 3.58Å; C140-E144 VanDerWaalsContact CA-O 3.26Å; C140-E144 WeakPolarHBondContact CA-O 3.38Å; C140-C145 HydrophobicContact CB-CB 4.13Å; C140-C145 WeakPolarHBondContact CB-SG 3.44Å; C140-C145 WeakPolarHBondContact SG-CB 3.29Å; C140-C145 CovalentContact SG-SG 2.05Å; C140-C145 PolarHBondContact SG-SG 2.68Å |
| 141 | D | 86.9 | Confident | 90.7 | Very high | 148 Ų | 148 | 74.5 Ų | 74.5 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 97.4 | 168.9 | -169.9 | 9.7 | 0 | 0 | 0 | 108.1 | T143 E144 | D141-T143 PolarHBondContact O-N 3.18Å; D141-E144 PolarHBondContact N-O 3.4Å; D141-E144 PolarHBondContact O-N 3.02Å |
| 142 | G | 86.7 | Confident | 90.6 | Very high | 72 Ų | 72 | 76.6 Ų | 76.6 | 74% | 0.742 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -115.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 143 | T | 84.6 | Confident | 90.4 | Very high | 143 Ų | 143 | 75.4 Ų | 75.4 | 88% | 0.877 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -15.6 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | D141 | D141-T143 PolarHBondContact O-N 3.18Š|
| 144 | E | 85.4 | Confident | 90.3 | Very high | 137 Ų | 137 | 78 Ų | 78 | 64% | 0.64 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121 | -178.5 | -66.9 | -167.3 | 176.1 | 0 | 0 | 110.4 | C140 D141 | C140-E144 CarbonylContact C-O 3.58Å; C140-E144 VanDerWaalsContact CA-O 3.26Å; C140-E144 WeakPolarHBondContact CA-O 3.38Å; D141-E144 PolarHBondContact N-O 3.4Å; D141-E144 PolarHBondContact O-N 3.02Å |
| 145 | C | 89.3 | Confident | 90.4 | Very high | 72 Ų | 72 | 77.6 Ų | 77.6 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.4 | 176 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | I138 V139 C140 | I138-C145 HydrophobicContact CG2-CB 3.82Å; V139-C145 WeakPolarHBondContact O-CA 3.36Å; C140-C145 HydrophobicContact CB-CB 4.13Å; C140-C145 WeakPolarHBondContact CB-SG 3.44Å; C140-C145 WeakPolarHBondContact SG-CB 3.29Å; C140-C145 CovalentContact SG-SG 2.05Å; C140-C145 PolarHBondContact SG-SG 2.68Å |
| 146 | Q | 88.9 | Confident | 90.4 | Very high | 136 Ų | 136 | 78.8 Ų | 78.8 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.3 | -177.5 | -68.2 | -77.7 | -24.8 | 0 | 0 | 110.7 | V139 | V139-Q146 PolarHBondContact N-O 3.16Å; V139-Q146 PolarHBondContact O-N 3.38Å |
| 147 | R | 90.3 | Very high | 90.6 | Very high | 119 Ų | 119 | 77 Ų | 77 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.4 | 170.2 | 167.5 | -176.9 | -81.1 | 178.2 | -3.9 | 109 | W136 Q149 | W136-R147 HydrophobicContact CB-CG 3.97Å; W136-R147 VanDerWaalsContact CD1-CG 3.49Å; W136-R147 HydrophobicContact CD2-CG 4.36Å; W136-R147 HydrophobicContact CG-CB 4.37Å; W136-R147 HydrophobicContact CG-CG 3.66Å; R147-Q149 PolarHBondContact O-N 2.66Å |
| 148 | D | 89.3 | Confident | 90.7 | Very high | 33 Ų | 33 | 76.9 Ų | 76.9 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 109.5 | 168.4 | -169.7 | -37 | 0 | 0 | 0 | 110.5 | V137 V139 D150 R151 T152 | V137-D148 HydrophobicContact CB-CB 4.21Å; V137-D148 VanDerWaalsContact O-CB 3.25Å; V137-D148 WeakPolarHBondContact O-CB 3.37Å; V137-D148 PolarHBondContact O-N 2.76Å; V139-D148 HydrophobicContact CG2-CB 4.14Å; D148-D150 PolarHBondContact OD1-N 3.14Å; D148-R151 HydrophobicContact CB-CB 4.27Å; D148-R151 CarbonylContact O-C 3.53Å; D148-R151 PolarHBondContact O-N 2.99Å; D148-R151 PolarHBondContact OD1-N 2.85Å; D148-R151 VanDerWaalsContact OD1-N 3.1Å; D148-R151 IonicContact OD2-CZ 3.1Å; D148-R151 IonicContact OD2-NE 2.69Å; D148-R151 PolarHBondContact OD2-NE 2.56Å; D148-R151 IonicContact OD2-NH2 2.68Å; D148-R151 PolarHBondContact OD2-NH2 3.26Å; D148-T152 PolarHBondContact O-N 3.21Å; D148-T152 PolarHBondContact O-OG1 3.18Å |
| 149 | Q | 86.4 | Confident | 90.9 | Very high | 168 Ų | 168 | 74.9 Ų | 74.9 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -33.8 | -178.1 | -63.7 | -173.1 | 3.9 | 0 | 0 | 112.6 | R147 R151 T152 | R147-Q149 PolarHBondContact O-N 2.66Å; Q149-R151 VanDerWaalsContact C-N 3.27Å; Q149-R151 PolarHBondContact O-N 2.92Å; Q149-T152 PolarHBondContact O-N 2.92Å |
| 150 | D | 87.9 | Confident | 91.1 | Very high | 145 Ų | 145 | 73.3 Ų | 73.3 | 78% | 0.775 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -23.6 | -179.5 | -68.7 | -29.6 | 0 | 0 | 0 | 112 | D148 | D148-D150 PolarHBondContact OD1-N 3.14Å |
| 151 | R | 89.8 | Confident | 91 | Very high | 99 Ų | 99 | 72.4 Ų | 72.4 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 36.6 | 177.8 | -62.7 | -174.9 | -69.9 | 173.6 | -1.4 | 112.6 | W136 V137 V139 D148 Q149 Y153 | W136-R151 VanDerWaalsContact CA-O 3.32Å; W136-R151 WeakPolarHBondContact CA-O 3.45Å; V137-R151 HydrophobicContact CB-CB 4.07Å; V137-R151 HydrophobicContact CG2-CB 3.79Å; V137-R151 PolarHBondContact N-O 2.87Å; V139-R151 VanDerWaalsContact CG2-NH2 3.26Å; D148-R151 HydrophobicContact CB-CB 4.27Å; D148-R151 CarbonylContact O-C 3.53Å; D148-R151 PolarHBondContact O-N 2.99Å; D148-R151 PolarHBondContact OD1-N 2.85Å; D148-R151 VanDerWaalsContact OD1-N 3.1Å; D148-R151 IonicContact OD2-CZ 3.1Å; D148-R151 IonicContact OD2-NE 2.69Å; D148-R151 PolarHBondContact OD2-NE 2.56Å; D148-R151 IonicContact OD2-NH2 2.68Å; D148-R151 PolarHBondContact OD2-NH2 3.26Å; Q149-R151 VanDerWaalsContact C-N 3.27Å; Q149-R151 PolarHBondContact O-N 2.92Å; R151-Y153 HydrophobicContact CB-CE2 4.36Å |
| 152 | T | 92.4 | Very high | 91 | Very high | 46 Ų | 46 | 72.9 Ų | 72.9 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.7 | 170.5 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | W136 D148 Q149 | W136-T152 HydrophobicContact CB-CG2 4.23Å; W136-T152 VanDerWaalsContact CB-OG1 3.3Å; W136-T152 WeakPolarHBondContact CB-OG1 3.36Å; D148-T152 PolarHBondContact O-N 3.21Å; D148-T152 PolarHBondContact O-OG1 3.18Å; Q149-T152 PolarHBondContact O-N 2.92Å |
| 153 | Y | 93.3 | Very high | 91.1 | Very high | 34 Ų | 34 | 76.8 Ų | 76.8 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.8 | -179 | -59.7 | -87 | 0 | 0 | 0 | 109.6 | S56 Q57 L59 S134 C135 R151 | S56-Y153 PolarHBondContact OG-OH 3.41Å; S56-Y153 VanDerWaalsContact OG-OH 3.09Å; Q57-Y153 PolarHBondContact O-OH 3.3Å; L59-Y153 HydrophobicContact CB-CD2 3.68Å; L59-Y153 HydrophobicContact CB-CE2 3.66Å; L59-Y153 HydrophobicContact CB-CG 4.32Å; L59-Y153 HydrophobicContact CD1-CD2 3.94Å; L59-Y153 HydrophobicContact CD1-CE2 3.25Å; L59-Y153 HydrophobicContact CG-CD2 3.85Å; L59-Y153 HydrophobicContact CG-CE2 3.24Å; S134-Y153 CarbonylContact C-O 3.54Å; S134-Y153 WeakPolarHBondContact CA-O 3.15Å; S134-Y153 VanDerWaalsContact CB-O 3.31Å; S134-Y153 WeakPolarHBondContact CB-O 3.43Å; C135-Y153 PolarHBondContact N-O 2.92Å; C135-Y153 PolarHBondContact O-N 3.16Å; R151-Y153 HydrophobicContact CB-CE2 4.36Å |
| 154 | A | 94.5 | Very high | 91.4 | Very high | 58 Ų | 58 | 72.9 Ų | 72.9 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y133 | Y133-A154 CarbonylContact O-C 3.57Å; Y133-A154 WeakPolarHBondContact O-CA 3.39Å |
| 155 | S | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133.1 | 170.6 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | G73 Y133 | G73-S155 VanDerWaalsContact O-CB 3.28Å; G73-S155 WeakPolarHBondContact O-CB 3.28Å; G73-S155 PolarHBondContact O-OG 3.28Å; G73-S155 VanDerWaalsContact O-OG 3.14Å; Y133-S155 PolarHBondContact N-O 3.36Å; Y133-S155 PolarHBondContact O-N 3.01Å |
| 156 | Y | 97 | Very high | 92.1 | Very high | 24 Ų | 24 | 63.8 Ų | 63.8 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118 | 167.6 | -162.1 | -83.4 | 0 | 0 | 0 | 109.1 | P74 S75 T76 T130 G131 Y158 R189 T220 | P74-Y156 PolarHBondContact O-N 2.98Å; S75-Y156 CarbonylContact C-O 3.54Å; S75-Y156 VanDerWaalsContact CA-O 3.22Å; S75-Y156 WeakPolarHBondContact CA-O 3.46Å; T76-Y156 PolarHBondContact N-O 3.42Å; T130-Y156 HydrophobicContact CG2-CE1 3.73Å; G131-Y156 WeakPolarHBondContact O-CA 3.5Å; Y156-Y158 HydrophobicContact CD1-CD1 4.17Å; Y156-Y158 AromaticContact CD1-CD2 3.92Å; Y156-Y158 HydrophobicContact CD1-CD2 3.92Å; Y156-Y158 AromaticContact CD1-CE1 3.83Å; Y156-Y158 HydrophobicContact CD1-CE1 3.83Å; Y156-Y158 AromaticContact CD1-CE2 3.55Å; Y156-Y158 HydrophobicContact CD1-CE2 3.55Å; Y156-Y158 HydrophobicContact CD1-CG 4.22Å; Y156-Y158 AromaticContact CD1-CZ 3.49Å; Y156-Y158 VanDerWaalsContact CD1-CZ 3.49Å; Y156-Y158 AromaticContact CE1-CD1 3.84Å; Y156-Y158 HydrophobicContact CE1-CD1 3.84Å; Y156-Y158 HydrophobicContact CE1-CD2 4.43Å; Y156-Y158 AromaticContact CE1-CE1 3.48Å; Y156-Y158 HydrophobicContact CE1-CE1 3.48Å; Y156-Y158 VanDerWaalsContact CE1-CE1 3.48Å; Y156-Y158 HydrophobicContact CE1-CE2 4.11Å; Y156-Y158 HydrophobicContact CE1-CG 4.3Å; Y156-Y158 AromaticContact CE1-CZ 3.62Å; Y156-R189 PolarHBondContact OH-NH1 2.81Å; Y156-T220 HydrophobicContact CD1-CG2 3.85Å; Y156-T220 HydrophobicContact CD2-CG2 3.73Å; Y156-T220 HydrophobicContact CE1-CG2 4.05Å; Y156-T220 HydrophobicContact CE2-CG2 3.96Å; Y156-T220 HydrophobicContact CG-CG2 3.67Å; Y156-T220 PolarHBondContact OH-O 3.06Å |
| 157 | V | 97.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119 | -176.9 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | T76 L78 T130 G131 Y133 F159 | T76-V157 HydrophobicContact CG2-CB 4.2Å; T76-V157 HydrophobicContact CG2-CG1 4.13Å; T76-V157 HydrophobicContact CG2-CG2 3.76Å; T76-V157 WeakPolarHBondContact O-CA 3.43Å; L78-V157 HydrophobicContact CB-CG1 4.3Å; L78-V157 HydrophobicContact CD1-CG1 3.53Å; L78-V157 HydrophobicContact CG-CG1 3.85Å; T130-V157 WeakPolarHBondContact CA-O 3.33Å; T130-V157 WeakPolarHBondContact CG2-O 3.26Å; G131-V157 PolarHBondContact N-O 2.8Å; G131-V157 VanDerWaalsContact N-O 3.12Å; G131-V157 PolarHBondContact O-N 2.89Å; Y133-V157 HydrophobicContact CD2-CB 3.66Å; Y133-V157 HydrophobicContact CD2-CG2 3.44Å; Y133-V157 VanDerWaalsContact CD2-CG2 3.44Å; Y133-V157 HydrophobicContact CE2-CB 3.79Å; Y133-V157 HydrophobicContact CE2-CG2 4.05Å; Y133-V157 HydrophobicContact CG-CG2 4.03Å; V157-F159 HydrophobicContact CB-CE2 4.42Å; V157-F159 HydrophobicContact CG1-CD2 4.14Å; V157-F159 HydrophobicContact CG1-CE1 4.47Å; V157-F159 HydrophobicContact CG1-CE2 3.64Å; V157-F159 HydrophobicContact CG1-CZ 3.84Å |
| 158 | Y | 96.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.9 | 173.4 | -68.1 | -82.7 | 0 | 0 | 0 | 109.9 | T76 T77 L78 T130 Y156 T191 P193 T220 | T76-Y158 PolarHBondContact O-N 3.47Å; T77-Y158 WeakPolarHBondContact CA-O 3.19Å; L78-Y158 PolarHBondContact N-O 2.7Å; T130-Y158 HydrophobicContact CG2-CD1 4.16Å; Y156-Y158 HydrophobicContact CD1-CD1 4.17Å; Y156-Y158 AromaticContact CD1-CD2 3.92Å; Y156-Y158 HydrophobicContact CD1-CD2 3.92Å; Y156-Y158 AromaticContact CD1-CE1 3.83Å; Y156-Y158 HydrophobicContact CD1-CE1 3.83Å; Y156-Y158 AromaticContact CD1-CE2 3.55Å; Y156-Y158 HydrophobicContact CD1-CE2 3.55Å; Y156-Y158 HydrophobicContact CD1-CG 4.22Å; Y156-Y158 AromaticContact CD1-CZ 3.49Å; Y156-Y158 VanDerWaalsContact CD1-CZ 3.49Å; Y156-Y158 AromaticContact CE1-CD1 3.84Å; Y156-Y158 HydrophobicContact CE1-CD1 3.84Å; Y156-Y158 HydrophobicContact CE1-CD2 4.43Å; Y156-Y158 AromaticContact CE1-CE1 3.48Å; Y156-Y158 HydrophobicContact CE1-CE1 3.48Å; Y156-Y158 VanDerWaalsContact CE1-CE1 3.48Å; Y156-Y158 HydrophobicContact CE1-CE2 4.11Å; Y156-Y158 HydrophobicContact CE1-CG 4.3Å; Y156-Y158 AromaticContact CE1-CZ 3.62Å; Y158-T191 WeakPolarHBondContact CB-O 3.46Å; Y158-P193 HydrophobicContact CD2-CB 4.39Å; Y158-P193 HydrophobicContact CD2-CG 4.24Å; Y158-P193 HydrophobicContact CE1-CB 4.17Å; Y158-P193 HydrophobicContact CE2-CB 3.92Å; Y158-P193 HydrophobicContact CE2-CG 4.25Å; Y158-P193 HydrophobicContact CG-CG 4.48Å; Y158-T220 WeakPolarHBondContact OH-CG2 3.34Å |
| 159 | F | 96.3 | Very high | 92 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 87.9 | 167.6 | -70.6 | -79.4 | 0 | 0 | 0 | 108.8 | L78 V84 L122 P125 S126 D129 T130 Y133 V157 D161 | L78-F159 HydrophobicContact CB-CD1 4.04Å; L78-F159 HydrophobicContact CB-CE1 3.85Å; L78-F159 HydrophobicContact CD1-CE1 4.26Å; L78-F159 HydrophobicContact CD1-CZ 4.32Å; L78-F159 WeakPolarHBondContact O-CA 3.19Å; V84-F159 HydrophobicContact CG2-CE1 3.78Å; V84-F159 HydrophobicContact CG2-CZ 4.1Å; L122-F159 HydrophobicContact CD2-CZ 4.33Å; P125-F159 HydrophobicContact CB-CD1 3.7Å; P125-F159 HydrophobicContact CB-CE1 3.35Å; P125-F159 HydrophobicContact CB-CE2 4.27Å; P125-F159 HydrophobicContact CB-CG 4.29Å; P125-F159 HydrophobicContact CB-CZ 3.66Å; P125-F159 HydrophobicContact CG-CD1 3.91Å; P125-F159 HydrophobicContact CG-CE1 3.45Å; P125-F159 VanDerWaalsContact CG-CE1 3.45Å; P125-F159 HydrophobicContact CG-CZ 4.14Å; S126-F159 VanDerWaalsContact O-CB 3.29Å; S126-F159 WeakPolarHBondContact O-CB 3.39Å; D129-F159 VanDerWaalsContact C-CD2 3.49Å; D129-F159 HydrophobicContact CB-CD2 3.86Å; D129-F159 HydrophobicContact CB-CE2 3.87Å; D129-F159 WeakPolarHBondContact O-CD2 3.4Å; D129-F159 WeakPolarHBondContact O-CE2 3.17Å; T130-F159 PolarHBondContact OG1-N 3.31Å; Y133-F159 HydrophobicContact CE2-CE2 4.35Å; V157-F159 HydrophobicContact CB-CE2 4.42Å; V157-F159 HydrophobicContact CG1-CD2 4.14Å; V157-F159 HydrophobicContact CG1-CE1 4.47Å; V157-F159 HydrophobicContact CG1-CE2 3.64Å; V157-F159 HydrophobicContact CG1-CZ 3.84Å; F159-D161 PolarHBondContact O-N 2.91Å |
| 160 | T | 93.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | trans | -66.7 | 119.4 | -173.3 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | T77 L78 P80 T191 E192 | T77-T160 HydrophobicContact CG2-CG2 3.42Å; T77-T160 VanDerWaalsContact CG2-CG2 3.42Å; L78-T160 PolarHBondContact O-N 2.03Å; P80-T160 WeakPolarHBondContact CD-O 3.27Å; P80-T160 WeakPolarHBondContact CG-O 3.44Å; T160-T191 WeakPolarHBondContact CA-O 3.17Å; T160-T191 WeakPolarHBondContact CG2-O 3.41Å; T160-E192 HydrophobicContact CG2-CB 4.04Å; T160-E192 HydrophobicContact CG2-CG 4.27Å | ||
| 161 | D | 89 | Confident | 90.7 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | trans | -129.4 | 125.2 | 177.6 | -173.8 | -6.9 | 0 | 0 | 0 | 109.1 | A127 F159 E163 N164 | A127-D161 HydrophobicContact CB-CB 3.95Å; F159-D161 PolarHBondContact O-N 2.91Å; D161-E163 VanDerWaalsContact C-N 3.26Å; D161-E163 PolarHBondContact O-N 2.73Å; D161-E163 PolarHBondContact OD1-N 2.97Å; D161-N164 HydrophobicContact CB-CB 4.14Å; D161-N164 CarbonylContact O-C 3.53Å; D161-N164 VanDerWaalsContact O-C 3.27Å; D161-N164 PolarHBondContact O-N 2.94Å; D161-N164 VanDerWaalsContact O-O 3.04Å; D161-N164 PolarHBondContact OD2-ND2 3.24Å | ||
| 162 | K | 86.3 | Confident | 89.8 | Confident | 158 Ų | 158 | 53.4 Ų | 53.4 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72.7 | -24.2 | -178.3 | -65.3 | 177.6 | -175 | 164.5 | 0 | 112.3 | N164 Q247 | K162-N164 VanDerWaalsContact C-N 3.35Å; K162-Q247 PolarHBondContact O-NE2 3.05Å |
| 163 | E | 88.1 | Confident | 89 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -83.4 | -19.8 | 177.5 | -65.3 | 176.6 | -168.1 | 0 | 0 | 111.1 | D161 Q247 | D161-E163 VanDerWaalsContact C-N 3.26Å; D161-E163 PolarHBondContact O-N 2.73Å; D161-E163 PolarHBondContact OD1-N 2.97Å; E163-Q247 VanDerWaalsContact C-NE2 3.3Å; E163-Q247 PolarHBondContact O-NE2 2.88Å; E163-Q247 PolarHBondContact O-OE1 3.26Å |
| 164 | N | 91.8 | Very high | 88.6 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | trans | -132.5 | 86.2 | -177.5 | -62.9 | -75.6 | 0 | 0 | 0 | 110.6 | A127 D161 K162 F166 T191 | A127-N164 HydrophobicContact CB-CB 3.53Å; D161-N164 HydrophobicContact CB-CB 4.14Å; D161-N164 CarbonylContact O-C 3.53Å; D161-N164 VanDerWaalsContact O-C 3.27Å; D161-N164 PolarHBondContact O-N 2.94Å; D161-N164 VanDerWaalsContact O-O 3.04Å; D161-N164 PolarHBondContact OD2-ND2 3.24Å; K162-N164 VanDerWaalsContact C-N 3.35Å; N164-F166 VanDerWaalsContact C-N 3.29Å; N164-F166 PolarHBondContact O-N 2.84Å; N164-T191 VanDerWaalsContact O-CG2 3.23Å; N164-T191 WeakPolarHBondContact O-CG2 3.32Å; N164-T191 PolarHBondContact O-OG1 3.33Å | ||
| 165 | L | 94 | Very high | 88.4 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -72 | -24.8 | 179.2 | -62.3 | -177 | 0 | 0 | 0 | 113.2 | V190 T191 V195 A240 Q247 | L165-V190 CarbonylContact O-C 3.6Å; L165-V190 VanDerWaalsContact O-CA 3.27Å; L165-V190 WeakPolarHBondContact O-CA 3.33Å; L165-V190 WeakPolarHBondContact O-CB 3.47Å; L165-T191 PolarHBondContact O-N 3.36Å; L165-T191 PolarHBondContact O-OG1 3.23Å; L165-V195 HydrophobicContact CD1-CG2 4.47Å; L165-A240 HydrophobicContact CD1-CB 4.33Å; L165-Q247 HydrophobicContact CD1-CB 4.18Å; L165-Q247 HydrophobicContact CD1-CG 4.04Å; L165-Q247 HydrophobicContact CG-CB 4.49Å; L165-Q247 HydrophobicContact CG-CG 4.24Å |
| 166 | F | 95.1 | Very high | 88.2 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -105.3 | 147.9 | 174.3 | -63.5 | -75.5 | 0 | 0 | 0 | 110.3 | N164 P168 C188 R189 V190 C238 A240 | N164-F166 VanDerWaalsContact C-N 3.29Å; N164-F166 PolarHBondContact O-N 2.84Å; F166-P168 VanDerWaalsContact O-CD 3.24Å; F166-P168 WeakPolarHBondContact O-CD 3.18Å; F166-C188 HydrophobicContact CD1-CB 4.12Å; F166-C188 HydrophobicContact CE1-CB 4.21Å; F166-R189 CarbonylContact C-O 3.58Å; F166-R189 WeakPolarHBondContact CA-O 3.45Å; F166-V190 HydrophobicContact CD1-CG1 3.89Å; F166-V190 HydrophobicContact CE1-CG1 3.85Å; F166-C238 HydrophobicContact CE1-CB 3.68Å; F166-C238 HydrophobicContact CZ-CB 3.73Å; F166-A240 HydrophobicContact CE1-CB 4.2Å; F166-A240 HydrophobicContact CE2-CB 3.83Å; F166-A240 HydrophobicContact CZ-CB 3.45Å; F166-A240 VanDerWaalsContact CZ-CB 3.45Å |
| 167 | V | 94.4 | Very high | 87.9 | Confident | 15 Ų | 15 | 66 Ų | 66 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | trans | -67.1 | 119.6 | 171.8 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | T130 R189 T191 | T130-V167 HydrophobicContact CG2-CG2 3.65Å; V167-R189 HydrophobicContact CB-CB 4.29Å; V167-R189 HydrophobicContact CG2-CB 3.85Å; V167-R189 PolarHBondContact N-O 3.49Å; V167-T191 HydrophobicContact CG2-CG2 4.09Å | ||
| 168 | P | 90.1 | Very high | 87.6 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | trans | -57.9 | 140.9 | 179.8 | -26.1 | 34.7 | 0 | 0 | 0 | 112.3 | A127 A128 F166 | A127-P168 HydrophobicContact CB-CG 4.39Å; A128-P168 HydrophobicContact CB-CG 4.38Å; F166-P168 VanDerWaalsContact O-CD 3.24Å; F166-P168 WeakPolarHBondContact O-CD 3.18Å | ||
| 169 | S | 81.9 | Confident | 87.2 | Confident | 50 Ų | 50 | 67 Ų | 67 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | trans | -105.9 | 137.3 | 170.2 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | I171 | S169-I171 PolarHBondContact O-N 2.77Å; S169-I171 PolarHBondContact OG-N 3.45Å; S169-I171 PolarHBondContact OG-O 3.35Å | ||
| 170 | A | 73.2 | Confident | 86.6 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 85% | 0.851 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -68.9 | -16.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 171 | I | 74 | Confident | 86.1 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | trans | -98.2 | 116.8 | -176.9 | -54.1 | 176.5 | 0 | 0 | 0 | 108.6 | S169 F173 | S169-I171 PolarHBondContact O-N 2.77Å; S169-I171 PolarHBondContact OG-N 3.45Å; S169-I171 PolarHBondContact OG-O 3.35Å; I171-F173 VanDerWaalsContact C-N 3.28Å; I171-F173 VanDerWaalsContact CG2-O 3.27Å; I171-F173 WeakPolarHBondContact CG2-O 3.43Å; I171-F173 PolarHBondContact O-N 2.83Å | ||
| 172 | H | 70.2 | Confident | 85.9 | Confident | 151 Ų | 151 | 76.6 Ų | 76.6 | 70% | 0.699 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -68.2 | -24.3 | 179.7 | -98.4 | 66.8 | 0 | 0 | 0 | 113.8 | T250 | H172-T250 PolarHBondContact O-OG1 3.07Š|
| 173 | F | 75.7 | Confident | 86.2 | Confident | 137 Ų | 137 | 73 Ų | 73 | 60% | 0.601 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141 | 103.4 | 177.8 | -66.1 | -79.9 | 0 | 0 | 0 | 109.8 | I171 K251 | I171-F173 VanDerWaalsContact C-N 3.28Å; I171-F173 VanDerWaalsContact CG2-O 3.27Å; I171-F173 WeakPolarHBondContact CG2-O 3.43Å; I171-F173 PolarHBondContact O-N 2.83Å; F173-K251 HydrophobicContact CD1-CB 4.36Å; F173-K251 HydrophobicContact CE1-CB 4.35Å; F173-K251 HydrophobicContact CE1-CD 4.4Å |
| 174 | E | 86.2 | Confident | 86.4 | Confident | 59 Ų | 59 | 66 Ų | 66 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133 | 179.4 | -176.2 | 169.8 | -175.3 | 0 | 0 | 110.3 | P187 Y252 Q253 | E174-P187 VanDerWaalsContact CD-CG 3.44Å; E174-P187 HydrophobicContact CG-CG 4.4Å; E174-P187 WeakPolarHBondContact OE1-CG 3.32Å; E174-P187 WeakPolarHBondContact OE2-CG 3.39Å; E174-Y252 HydrophobicContact CB-CD1 3.92Å; E174-Y252 HydrophobicContact CB-CE1 4.22Å; E174-Y252 HydrophobicContact CG-CD1 4.43Å; E174-Y252 CarbonylContact O-C 3.56Å; E174-Y252 WeakPolarHBondContact O-CA 3.14Å; E174-Q253 PolarHBondContact O-N 3.49Å |
| 175 | I | 90.2 | Very high | 86.6 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 45% | 0.451 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.8 | -177.3 | -61.5 | 174.8 | 0 | 0 | 0 | 109.2 | Y177 Q253 L255 | I175-Y177 HydrophobicContact CG2-CD2 4.47Å; I175-Y177 HydrophobicContact CG2-CE1 4.19Å; I175-Y177 HydrophobicContact CG2-CE2 4.08Å; I175-Q253 WeakPolarHBondContact CA-O 3Å; I175-Q253 HydrophobicContact CG1-CB 4.47Å; I175-L255 HydrophobicContact CG2-CD1 3.68Å; I175-L255 HydrophobicContact CG2-CG 4.11Å |
| 176 | V | 91.8 | Very high | 86.7 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 115.8 | 175 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | L178 A184 V185 Q253 L254 L255 | V176-L178 HydrophobicContact CG1-CD2 4.34Å; V176-A184 HydrophobicContact CG1-CB 4.14Å; V176-V185 WeakPolarHBondContact CG1-O 3.48Å; V176-Q253 PolarHBondContact N-O 3.34Å; V176-L254 HydrophobicContact CB-CD1 3.91Å; V176-L254 HydrophobicContact CB-CG 4.08Å; V176-L254 HydrophobicContact CG1-CG 4.4Å; V176-L254 HydrophobicContact CG2-CD1 4.18Å; V176-L254 WeakPolarHBondContact O-CA 3.26Å; V176-L255 PolarHBondContact O-N 2.95Å |
| 177 | Y | 91.1 | Very high | 86.7 | Confident | 131 Ų | 131 | 66.5 Ų | 66.5 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.6 | 175.6 | -65.9 | -75.2 | 0 | 0 | 0 | 110.7 | I175 L255 V257 | I175-Y177 HydrophobicContact CG2-CD2 4.47Å; I175-Y177 HydrophobicContact CG2-CE1 4.19Å; I175-Y177 HydrophobicContact CG2-CE2 4.08Å; Y177-L255 WeakPolarHBondContact CA-O 3.11Å; Y177-L255 HydrophobicContact CD1-CB 4.29Å; Y177-L255 HydrophobicContact CE1-CD1 4.23Å; Y177-V257 HydrophobicContact CD1-CG2 3.67Å; Y177-V257 HydrophobicContact CE1-CG2 4.27Å |
| 178 | L | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.1 | 171.6 | -54 | -175.6 | 0 | 0 | 0 | 108.6 | V176 A184 L225 P228 L232 L254 L255 Y256 V257 | V176-L178 HydrophobicContact CG1-CD2 4.34Å; L178-A184 HydrophobicContact CD2-CB 3.53Å; L178-L225 HydrophobicContact CD2-CD1 3.81Å; L178-P228 HydrophobicContact CB-CB 4.01Å; L178-P228 HydrophobicContact CB-CG 4.47Å; L178-P228 HydrophobicContact CD1-CB 4.45Å; L178-P228 HydrophobicContact CD2-CB 3.86Å; L178-P228 HydrophobicContact CG-CB 4.32Å; L178-L232 HydrophobicContact CD1-CB 3.73Å; L178-L254 HydrophobicContact CD1-CB 4.02Å; L178-L254 HydrophobicContact CD1-CD2 4.2Å; L178-L254 HydrophobicContact CD1-CG 4.39Å; L178-L254 HydrophobicContact CD2-CB 4.43Å; L178-L254 HydrophobicContact CD2-CD2 3.95Å; L178-L254 HydrophobicContact CD2-CG 4.01Å; L178-L254 HydrophobicContact CG-CB 4.17Å; L178-L254 HydrophobicContact CG-CD2 4.45Å; L178-L254 HydrophobicContact CG-CG 4.31Å; L178-L255 PolarHBondContact N-O 3.43Å; L178-Y256 HydrophobicContact CB-CD2 4.04Å; L178-V257 PolarHBondContact O-N 3.3Å |
| 179 | R | 87.5 | Confident | 86.9 | Confident | 32 Ų | 32 | 66 Ų | 66 | 12% | 0.121 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -132.9 | 140.2 | 174.4 | -72.2 | 171.7 | 44.7 | 152.9 | 9.7 | 109.6 | D181 R182 P228 V257 V259 | R179-D181 WeakPolarHBondContact CB-OD1 3.23Å; R179-D181 IonicContact CZ-OD1 3.09Å; R179-D181 IonicContact CZ-OD2 2.81Å; R179-D181 IonicContact NE-OD1 3.26Å; R179-D181 PolarHBondContact NE-OD1 2.81Å; R179-D181 IonicContact NE-OD2 3.43Å; R179-D181 IonicContact NH2-OD1 3.88Å; R179-D181 PolarHBondContact NH2-OD1 2.91Å; R179-D181 IonicContact NH2-OD2 2.75Å; R179-D181 PolarHBondContact NH2-OD2 2.82Å; R179-D181 PolarHBondContact O-N 2.8Å; R179-R182 HydrophobicContact CB-CG 4.08Å; R179-R182 PolarHBondContact O-N 3.03Å; R179-P228 WeakPolarHBondContact O-CG 3.39Å; R179-V257 HydrophobicContact CG-CB 4.46Å; R179-V259 HydrophobicContact CB-CG2 3.85Å; R179-V259 HydrophobicContact CG-CG2 3.57Å; R179-V259 VanDerWaalsContact CZ-CG2 3.4Å |
| 180 | P | 83.8 | Confident | 87.6 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.9 | -176.1 | 28.2 | -35.7 | 0 | 0 | 0 | 113.5 | ||
| 181 | D | 81.9 | Confident | 88.6 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -8.9 | -174.9 | 67.6 | -38 | 0 | 0 | 0 | 114.1 | R179 | R179-D181 WeakPolarHBondContact CB-OD1 3.23Å; R179-D181 IonicContact CZ-OD1 3.09Å; R179-D181 IonicContact CZ-OD2 2.81Å; R179-D181 IonicContact NE-OD1 3.26Å; R179-D181 PolarHBondContact NE-OD1 2.81Å; R179-D181 IonicContact NE-OD2 3.43Å; R179-D181 IonicContact NH2-OD1 3.88Å; R179-D181 PolarHBondContact NH2-OD1 2.91Å; R179-D181 IonicContact NH2-OD2 2.75Å; R179-D181 PolarHBondContact NH2-OD2 2.82Å; R179-D181 PolarHBondContact O-N 2.8Å |
| 182 | R | 86.8 | Confident | 89.5 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 47% | 0.468 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -149.9 | 152.7 | -176.6 | 65.7 | -178.5 | -172.5 | -169.8 | -0.3 | 113.3 | R179 | R179-R182 HydrophobicContact CB-CG 4.08Å; R179-R182 PolarHBondContact O-N 3.03Å |
| 183 | P | 91.9 | Very high | 90.6 | Very high | 82 Ų | 82 | 52 Ų | 52 | 53% | 0.532 | 26% | 0.256 | S | S | . | . | trans | -64.2 | 147.8 | 174.7 | 28 | -35.9 | 0 | 0 | 0 | 111.5 | I224 L225 | P183-I224 HydrophobicContact CB-CG2 4.3Å; P183-L225 CarbonylContact C-O 3.6Å; P183-L225 WeakPolarHBondContact CA-O 3.24Å; P183-L225 WeakPolarHBondContact CB-O 3.49Å | ||
| 184 | A | 93 | Very high | 91.2 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 152.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | V176 L178 L225 P228 | V176-A184 HydrophobicContact CG1-CB 4.14Å; L178-A184 HydrophobicContact CD2-CB 3.53Å; A184-L225 HydrophobicContact CB-CB 4.31Å; A184-L225 HydrophobicContact CB-CD1 4.36Å; A184-L225 PolarHBondContact N-O 2.87Å; A184-L225 PolarHBondContact O-N 2.01Å; A184-P228 HydrophobicContact CB-CB 4.42Å; A184-P228 HydrophobicContact CB-CG 4.33Å |
| 185 | V | 95.1 | Very high | 91.5 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 35% | 0.345 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.7 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | V176 P187 K221 F223 I224 | V176-V185 WeakPolarHBondContact CG1-O 3.48Å; V185-P187 WeakPolarHBondContact O-CD 3.27Å; V185-K221 HydrophobicContact CG1-CB 4.23Å; V185-F223 CarbonylContact C-O 3.59Å; V185-F223 VanDerWaalsContact CA-O 3.32Å; V185-F223 WeakPolarHBondContact CA-O 3.4Å; V185-I224 HydrophobicContact CG2-CG1 4.22Å |
| 186 | V | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 108 | 167 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | C188 L199 G222 F223 L225 Y252 L254 | V186-C188 PolarHBondContact O-N 3.02Å; V186-L199 HydrophobicContact CB-CD1 4.46Å; V186-L199 HydrophobicContact CG1-CD1 4.06Å; V186-L199 HydrophobicContact CG2-CD1 4.4Å; V186-L199 HydrophobicContact CG2-CD2 4.4Å; V186-G222 WeakPolarHBondContact O-CA 3.42Å; V186-F223 HydrophobicContact CB-CB 4.25Å; V186-F223 PolarHBondContact N-O 2.86Å; V186-F223 PolarHBondContact O-N 2.88Å; V186-L225 HydrophobicContact CG2-CD1 4.24Å; V186-Y252 HydrophobicContact CG1-CD1 4.3Å; V186-Y252 HydrophobicContact CG1-CD2 3.39Å; V186-Y252 HydrophobicContact CG1-CE2 3.8Å; V186-Y252 HydrophobicContact CG1-CG 3.68Å; V186-L254 HydrophobicContact CG2-CD1 4.19Å; V186-L254 HydrophobicContact CG2-CD2 4.26Å |
| 187 | P | 94.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 21% | 0.214 | 28% | 0.277 | C | S | . | . | trans | -81.9 | 38.7 | -160 | 32.6 | -35.2 | 0 | 0 | 0 | 115.1 | E174 V185 R189 K221 Y252 | E174-P187 VanDerWaalsContact CD-CG 3.44Å; E174-P187 HydrophobicContact CG-CG 4.4Å; E174-P187 WeakPolarHBondContact OE1-CG 3.32Å; E174-P187 WeakPolarHBondContact OE2-CG 3.39Å; V185-P187 WeakPolarHBondContact O-CD 3.27Å; P187-R189 PolarHBondContact O-N 2.85Å; P187-K221 WeakPolarHBondContact CA-O 3.35Å; P187-Y252 HydrophobicContact CG-CD1 4.15Å; P187-Y252 HydrophobicContact CG-CE1 3.73Å | ||
| 188 | C | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | trans | -80 | 68.6 | 177.2 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | F166 V186 F223 C238 Y252 | F166-C188 HydrophobicContact CD1-CB 4.12Å; F166-C188 HydrophobicContact CE1-CB 4.21Å; V186-C188 PolarHBondContact O-N 3.02Å; C188-F223 VanDerWaalsContact SG-CD2 3.58Å; C188-C238 HydrophobicContact CB-CB 3.46Å; C188-C238 VanDerWaalsContact CB-CB 3.46Å; C188-C238 WeakPolarHBondContact CB-SG 3.42Å; C188-C238 WeakPolarHBondContact SG-CB 3.46Å; C188-C238 CovalentContact SG-SG 2.01Å; C188-C238 PolarHBondContact SG-SG 3.04Å; C188-Y252 WeakPolarHBondContact CA-OH 3.48Å; C188-Y252 HydrophobicContact CB-CE2 3.87Å; C188-Y252 WeakPolarHBondContact CB-OH 3.36Å | ||
| 189 | R | 95.3 | Very high | 91.9 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | trans | -63.1 | 145.6 | 176.4 | -58.8 | -179.6 | -66.5 | 134.1 | -0.9 | 110.5 | T130 Y156 F166 V167 P187 T220 | T130-R189 PolarHBondContact O-NH1 3.16Å; Y156-R189 PolarHBondContact OH-NH1 2.81Å; F166-R189 CarbonylContact C-O 3.58Å; F166-R189 WeakPolarHBondContact CA-O 3.45Å; V167-R189 HydrophobicContact CB-CB 4.29Å; V167-R189 HydrophobicContact CG2-CB 3.85Å; V167-R189 PolarHBondContact N-O 3.49Å; P187-R189 PolarHBondContact O-N 2.85Å; R189-T220 WeakPolarHBondContact CD-O 3.43Å; R189-T220 WeakPolarHBondContact CG-O 3.48Å | ||
| 190 | V | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -104.5 | 152.7 | -179.8 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | L165 F166 E192 V195 F217 P219 | L165-V190 CarbonylContact O-C 3.6Å; L165-V190 VanDerWaalsContact O-CA 3.27Å; L165-V190 WeakPolarHBondContact O-CA 3.33Å; L165-V190 WeakPolarHBondContact O-CB 3.47Å; F166-V190 HydrophobicContact CD1-CG1 3.89Å; F166-V190 HydrophobicContact CE1-CG1 3.85Å; V190-E192 WeakPolarHBondContact CG2-O 3.35Å; V190-V195 HydrophobicContact CB-CG1 3.64Å; V190-V195 HydrophobicContact CG1-CG1 3.55Å; V190-V195 HydrophobicContact CG2-CG1 3.9Å; V190-F217 HydrophobicContact CG1-CZ 3.86Å; V190-F217 HydrophobicContact CG2-CZ 4.15Å; V190-P219 HydrophobicContact CG2-CB 3.62Å; V190-P219 PolarHBondContact N-O 3.19Å |
| 191 | T | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -87.4 | -13.6 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | A127 Y158 T160 N164 L165 V167 | A127-T191 HydrophobicContact CB-CG2 3.79Å; Y158-T191 WeakPolarHBondContact CB-O 3.46Å; T160-T191 WeakPolarHBondContact CA-O 3.17Å; T160-T191 WeakPolarHBondContact CG2-O 3.41Å; N164-T191 VanDerWaalsContact O-CG2 3.23Å; N164-T191 WeakPolarHBondContact O-CG2 3.32Å; N164-T191 PolarHBondContact O-OG1 3.33Å; L165-T191 PolarHBondContact O-N 3.36Å; L165-T191 PolarHBondContact O-OG1 3.23Å; V167-T191 HydrophobicContact CG2-CG2 4.09Å |
| 192 | E | 92.7 | Very high | 93.4 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 33% | 0.332 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -126 | 121.3 | 177.7 | -177.6 | 155.6 | -121.6 | 0 | 0 | 110.6 | T160 V190 Q194 V195 | T160-E192 HydrophobicContact CG2-CB 4.04Å; T160-E192 HydrophobicContact CG2-CG 4.27Å; V190-E192 WeakPolarHBondContact CG2-O 3.35Å; E192-Q194 VanDerWaalsContact C-N 3.26Å; E192-Q194 PolarHBondContact O-N 2.83Å; E192-V195 HydrophobicContact CB-CB 4.43Å; E192-V195 VanDerWaalsContact O-CG1 3.26Å; E192-V195 WeakPolarHBondContact O-CG1 3.02Å; E192-V195 PolarHBondContact O-N 3.49Å |
| 193 | P | 92.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19 | -171.1 | 25.3 | -34.5 | 0 | 0 | 0 | 114.7 | Y158 | Y158-P193 HydrophobicContact CD2-CB 4.39Å; Y158-P193 HydrophobicContact CD2-CG 4.24Å; Y158-P193 HydrophobicContact CE1-CB 4.17Å; Y158-P193 HydrophobicContact CE2-CB 3.92Å; Y158-P193 HydrophobicContact CE2-CG 4.25Å; Y158-P193 HydrophobicContact CG-CG 4.48Å |
| 194 | Q | 89.9 | Confident | 93.6 | Very high | 168 Ų | 168 | 46.8 Ų | 46.8 | 79% | 0.785 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 4 | -177.9 | -58.4 | -58.1 | -66.2 | 0 | 0 | 112.6 | E192 | E192-Q194 VanDerWaalsContact C-N 3.26Å; E192-Q194 PolarHBondContact O-N 2.83Å |
| 195 | V | 91 | Very high | 93.7 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | trans | -74.2 | 133.8 | 179.2 | 79.4 | 0 | 0 | 0 | 0 | 110 | L165 V190 E192 A240 A241 | L165-V195 HydrophobicContact CD1-CG2 4.47Å; V190-V195 HydrophobicContact CB-CG1 3.64Å; V190-V195 HydrophobicContact CG1-CG1 3.55Å; V190-V195 HydrophobicContact CG2-CG1 3.9Å; E192-V195 HydrophobicContact CB-CB 4.43Å; E192-V195 VanDerWaalsContact O-CG1 3.26Å; E192-V195 WeakPolarHBondContact O-CG1 3.02Å; E192-V195 PolarHBondContact O-N 3.49Å; V195-A240 HydrophobicContact CG1-CB 4.49Å; V195-A240 HydrophobicContact CG2-CB 3.98Å; V195-A241 WeakPolarHBondContact CG2-O 3.4Å | ||
| 196 | E | 90.1 | Very high | 93.5 | Very high | 172 Ų | 172 | 53.6 Ų | 53.6 | 80% | 0.804 | 28% | 0.282 | S | S | * | . | trans | -80.2 | 126.6 | 171.3 | -66.9 | -176.5 | 172.1 | 0 | 0 | 109.3 | A240 | E196-A240 WeakPolarHBondContact O-CA 3.49Š| ||
| 197 | A | 93.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F217 F223 K239 A240 | A197-F217 HydrophobicContact CB-CD1 4.48Å; A197-F217 HydrophobicContact CB-CD2 4.31Å; A197-F217 HydrophobicContact CB-CE1 3.94Å; A197-F217 HydrophobicContact CB-CE2 3.77Å; A197-F217 HydrophobicContact CB-CZ 3.56Å; A197-F223 HydrophobicContact CB-CE2 4.13Å; A197-F223 HydrophobicContact CB-CZ 4.12Å; A197-F223 WeakPolarHBondContact O-CZ 3.19Å; A197-K239 CarbonylContact C-O 3.58Å; A197-K239 WeakPolarHBondContact CA-O 2.93Å; A197-A240 HydrophobicContact CB-CB 4.26Å |
| 198 | S | 94.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 57.5 Ų | 57.5 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.3 | 174.5 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | H200 E207 F223 C238 K239 | S198-H200 WeakPolarHBondContact CB-NE2 3.35Å; S198-H200 PolarHBondContact OG-CD2 3.33Å; S198-H200 PolarHBondContact OG-NE2 3.35Å; S198-E207 WeakPolarHBondContact CB-OE1 3.46Å; S198-F223 VanDerWaalsContact C-CZ 3.45Å; S198-C238 CarbonylContact O-C 3.48Å; S198-C238 VanDerWaalsContact O-CA 3.32Å; S198-C238 WeakPolarHBondContact O-CA 3.41Å; S198-K239 PolarHBondContact N-O 2.65Å; S198-K239 PolarHBondContact O-N 3.02Å; S198-K239 PolarHBondContact OG-O 3.11Å |
| 199 | L | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.9 | 177.7 | -178.8 | 64.8 | 0 | 0 | 0 | 109.3 | V186 I208 L215 F223 L225 F236 | V186-L199 HydrophobicContact CB-CD1 4.46Å; V186-L199 HydrophobicContact CG1-CD1 4.06Å; V186-L199 HydrophobicContact CG2-CD1 4.4Å; V186-L199 HydrophobicContact CG2-CD2 4.4Å; L199-I208 HydrophobicContact CB-CB 4.43Å; L199-I208 HydrophobicContact CD2-CB 4.32Å; L199-I208 HydrophobicContact CD2-CG1 4.4Å; L199-I208 HydrophobicContact CG-CB 4.4Å; L199-I208 HydrophobicContact CG-CG1 4.33Å; L199-I208 PolarHBondContact O-N 2.94Å; L199-L215 HydrophobicContact CB-CD2 4.34Å; L199-L215 HydrophobicContact CD2-CD1 3.93Å; L199-F223 HydrophobicContact CB-CD1 4.18Å; L199-F223 HydrophobicContact CB-CD2 3.85Å; L199-F223 HydrophobicContact CB-CE1 4.24Å; L199-F223 HydrophobicContact CB-CE2 3.95Å; L199-F223 HydrophobicContact CB-CG 3.97Å; L199-F223 HydrophobicContact CB-CZ 4.15Å; L199-F223 HydrophobicContact CD1-CD2 4.25Å; L199-F223 HydrophobicContact CD2-CB 4.22Å; L199-F223 HydrophobicContact CD2-CG 4.38Å; L199-F223 HydrophobicContact CG-CD2 4.5Å; L199-L225 HydrophobicContact CD2-CD2 4.45Å; L199-F236 HydrophobicContact CD1-CB 4.14Å; L199-F236 HydrophobicContact CD1-CD1 4.32Å; L199-F236 HydrophobicContact CD2-CD1 4.42Å; L199-F236 HydrophobicContact CG-CD1 4.19Å |
| 200 | H | 95.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 60.4 Ų | 60.4 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.8 | -176.6 | -67.4 | -97.4 | 0 | 0 | 0 | 110.7 | S198 E206 E207 F236 Y237 | S198-H200 WeakPolarHBondContact CB-NE2 3.35Å; S198-H200 PolarHBondContact OG-CD2 3.33Å; S198-H200 PolarHBondContact OG-NE2 3.35Å; H200-E206 CarbonylContact C-O 3.55Å; H200-E206 WeakPolarHBondContact CA-O 3.33Å; H200-E207 IonicContact CE1-OE2 3.21Å; H200-E207 PolarHBondContact CE1-OE2 2.79Å; H200-E207 IonicContact NE2-OE2 2.99Å; H200-F236 CarbonylContact O-C 3.59Å; H200-F236 WeakPolarHBondContact O-CA 3.32Å; H200-F236 WeakPolarHBondContact O-CB 3.39Å; H200-F236 WeakPolarHBondContact O-CD1 3.28Å; H200-Y237 HydrophobicContact CB-CD1 4.31Å; H200-Y237 HydrophobicContact CB-CD2 4.07Å; H200-Y237 HydrophobicContact CB-CE1 3.83Å; H200-Y237 HydrophobicContact CB-CE2 3.57Å; H200-Y237 HydrophobicContact CB-CG 4.42Å; H200-Y237 VanDerWaalsContact CB-CZ 3.42Å; H200-Y237 PolarHBondContact N-O 2.88Å; H200-Y237 PolarHBondContact O-N 2.88Å |
| 201 | R | 94.6 | Very high | 89.7 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 141 | 170.1 | -178.2 | 166.5 | 59.2 | -174 | -3.3 | 109.6 | V203 P204 P205 E206 I208 D231 F236 | R201-V203 WeakPolarHBondContact CD-O 3.42Å; R201-V203 WeakPolarHBondContact CG-O 3.39Å; R201-P204 WeakPolarHBondContact CG-O 3.24Å; R201-P204 PolarHBondContact NE-O 2.89Å; R201-P205 WeakPolarHBondContact O-CA 3.2Å; R201-E206 IonicContact CZ-OE2 3.97Å; R201-E206 PolarHBondContact N-O 2.89Å; R201-E206 IonicContact NH2-OE2 2.68Å; R201-E206 PolarHBondContact NH2-OE2 2.85Å; R201-E206 PolarHBondContact O-N 3.02Å; R201-I208 HydrophobicContact CB-CD1 4.27Å; R201-D231 PolarHBondContact NH1-O 2.83Å; R201-F236 HydrophobicContact CB-CD1 4.03Å; R201-F236 HydrophobicContact CB-CE1 3.7Å; R201-F236 HydrophobicContact CB-CZ 4.16Å; R201-F236 HydrophobicContact CG-CE1 4.11Å; R201-F236 HydrophobicContact CG-CE2 4.46Å; R201-F236 HydrophobicContact CG-CZ 4.04Å |
| 202 | E | 94.3 | Very high | 87.8 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 33% | 0.327 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -40.5 | 177.5 | -170.7 | 169.3 | 178.3 | 0 | 0 | 112 | P205 V235 Y237 K251 | E202-P205 WeakPolarHBondContact O-CG 3.45Å; E202-V235 HydrophobicContact CB-CB 4.14Å; E202-V235 HydrophobicContact CB-CG1 4.4Å; E202-V235 PolarHBondContact N-O 3.32Å; E202-V235 VanDerWaalsContact OE2-CG1 3.27Å; E202-V235 WeakPolarHBondContact OE2-CG1 3.22Å; E202-Y237 HydrophobicContact CB-CE1 4.46Å; E202-K251 IonicContact OE1-NZ 3.96Å; E202-K251 PolarHBondContact OE1-NZ 2.96Å; E202-K251 WeakPolarHBondContact OE2-CD 3.47Å; E202-K251 WeakPolarHBondContact OE2-CE 3.15Å; E202-K251 IonicContact OE2-NZ 2.66Å; E202-K251 PolarHBondContact OE2-NZ 3.32Å |
| 203 | V | 92.1 | Very high | 86.3 | Confident | 112 Ų | 112 | 72 Ų | 72 | 68% | 0.679 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | 120.8 | -177.7 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | R201 | R201-V203 WeakPolarHBondContact CD-O 3.42Å; R201-V203 WeakPolarHBondContact CG-O 3.39Å |
| 204 | P | 92.1 | Very high | 85.6 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -63 | 148.6 | -18.9 | 29 | -34.9 | 0 | 0 | 0 | 111 | R201 E206 | R201-P204 WeakPolarHBondContact CG-O 3.24Å; R201-P204 PolarHBondContact NE-O 2.89Å; P204-E206 PolarHBondContact O-N 2.77Å; P204-E206 VanDerWaalsContact O-N 3.12Å |
| 205 | P | 93.8 | Very high | 85.6 | Confident | 112 Ų | 112 | 68.8 Ų | 68.8 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 114.3 | 178.3 | -22.6 | 32.2 | 0 | 0 | 0 | 111.5 | R201 E202 | R201-P205 WeakPolarHBondContact O-CA 3.2Å; E202-P205 WeakPolarHBondContact O-CG 3.45Å |
| 206 | E | 92.3 | Very high | 85.7 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 143 | -177.6 | -173.1 | 176.5 | 177.1 | 0 | 0 | 111.1 | H200 R201 P204 | H200-E206 CarbonylContact C-O 3.55Å; H200-E206 WeakPolarHBondContact CA-O 3.33Å; R201-E206 IonicContact CZ-OE2 3.97Å; R201-E206 PolarHBondContact N-O 2.89Å; R201-E206 IonicContact NH2-OE2 2.68Å; R201-E206 PolarHBondContact NH2-OE2 2.85Å; R201-E206 PolarHBondContact O-N 3.02Å; P204-E206 PolarHBondContact O-N 2.77Å; P204-E206 VanDerWaalsContact O-N 3.12Å |
| 207 | E | 92.4 | Very high | 85.8 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 124.5 | 167.8 | -173.9 | 171.2 | 160.2 | 0 | 0 | 110.1 | S198 H200 T209 | S198-E207 WeakPolarHBondContact CB-OE1 3.46Å; H200-E207 IonicContact CE1-OE2 3.21Å; H200-E207 PolarHBondContact CE1-OE2 2.79Å; H200-E207 IonicContact NE2-OE2 2.99Å; E207-T209 PolarHBondContact O-N 3.05Å |
| 208 | I | 90.6 | Very high | 85.9 | Confident | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 115.3 | 179.5 | -51.5 | -54.7 | 0 | 0 | 0 | 108.9 | L199 R201 L215 L232 F236 | L199-I208 HydrophobicContact CB-CB 4.43Å; L199-I208 HydrophobicContact CD2-CB 4.32Å; L199-I208 HydrophobicContact CD2-CG1 4.4Å; L199-I208 HydrophobicContact CG-CB 4.4Å; L199-I208 HydrophobicContact CG-CG1 4.33Å; L199-I208 PolarHBondContact O-N 2.94Å; R201-I208 HydrophobicContact CB-CD1 4.27Å; I208-L215 HydrophobicContact CB-CD2 4.46Å; I208-L215 HydrophobicContact CG2-CD2 4.25Å; I208-L215 WeakPolarHBondContact O-CD2 3.33Å; I208-L232 HydrophobicContact CD1-CD2 4.4Å; I208-L232 HydrophobicContact CG2-CD2 4.42Å; I208-F236 HydrophobicContact CD1-CE1 3.92Å; I208-F236 HydrophobicContact CG1-CD1 4.17Å; I208-F236 HydrophobicContact CG1-CE1 3.71Å |
| 209 | T | 82 | Confident | 85.9 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | trans | -103.7 | 161.8 | 180 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | E207 N211 | E207-T209 PolarHBondContact O-N 3.05Å; T209-N211 PolarHBondContact O-N 3.41Å | ||
| 210 | A | 67.5 | Low | 85.9 | Confident | 54 Ų | 54 | 68 Ų | 68 | 45% | 0.446 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -11 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q212 | A210-Q212 PolarHBondContact O-N 3.48Å |
| 211 | N | 61.7 | Low | 85.9 | Confident | 151 Ų | 151 | 72.4 Ų | 72.4 | 81% | 0.807 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -74.7 | -17.4 | -166 | -67.5 | -16 | 0 | 0 | 0 | 114.8 | T209 | T209-N211 PolarHBondContact O-N 3.41Å |
| 212 | Q | 57.3 | Low | 85.9 | Confident | 160 Ų | 160 | 70.8 Ų | 70.8 | 75% | 0.748 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -118.3 | -28.1 | -176.8 | -64.7 | 179 | 5.4 | 0 | 0 | 114.1 | A210 | A210-Q212 PolarHBondContact O-N 3.48Å |
| 213 | T | 60.9 | Low | 86 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -119.6 | 4.2 | -168 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | L215 L232 | T213-L215 PolarHBondContact O-N 2.75Å; T213-L232 HydrophobicContact CG2-CD1 3.39Å; T213-L232 HydrophobicContact CG2-CD2 4.08Å; T213-L232 HydrophobicContact CG2-CG 3.99Å |
| 214 | L | 77.6 | Confident | 86.1 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 58% | 0.576 | 35% | 0.348 | S | S | * | . | trans | 48.7 | 42.9 | -172.9 | -63.9 | 172 | 0 | 0 | 0 | 111.6 | T216 R226 | L214-T216 PolarHBondContact O-N 2.88Å; L214-T216 PolarHBondContact O-OG1 3.22Å; L214-R226 HydrophobicContact CB-CB 4.03Å; L214-R226 HydrophobicContact CB-CG 4.43Å | ||
| 215 | L | 89.5 | Confident | 86.2 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | trans | -58.6 | 124.8 | -178.5 | -173.3 | 70.7 | 0 | 0 | 0 | 110.5 | L199 I208 T213 F223 L225 | L199-L215 HydrophobicContact CB-CD2 4.34Å; L199-L215 HydrophobicContact CD2-CD1 3.93Å; I208-L215 HydrophobicContact CB-CD2 4.46Å; I208-L215 HydrophobicContact CG2-CD2 4.25Å; I208-L215 WeakPolarHBondContact O-CD2 3.33Å; T213-L215 PolarHBondContact O-N 2.75Å; L215-F223 HydrophobicContact CD1-CB 3.92Å; L215-F223 HydrophobicContact CD1-CD1 3.69Å; L215-F223 HydrophobicContact CD1-CG 4.17Å; L215-F223 HydrophobicContact CD2-CD1 3.87Å; L215-F223 HydrophobicContact CD2-CE1 4.07Å; L215-F223 HydrophobicContact CG-CD1 3.74Å; L215-F223 HydrophobicContact CG-CE1 4.34Å; L215-L225 HydrophobicContact CD1-CD2 3.54Å; L215-L225 HydrophobicContact CD1-CG 4.45Å | ||
| 216 | T | 92.3 | Very high | 86 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 137.9 | 173.1 | -48.2 | 0 | 0 | 0 | 0 | 109.4 | L214 I224 R226 | L214-T216 PolarHBondContact O-N 2.88Å; L214-T216 PolarHBondContact O-OG1 3.22Å; T216-I224 PolarHBondContact N-O 2.91Å; T216-I224 PolarHBondContact O-N 3.28Å; T216-R226 PolarHBondContact OG1-NE 2.85Å; T216-R226 PolarHBondContact OG1-NH2 2.83Å |
| 217 | F | 93.3 | Very high | 85.8 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 25% | 0.25 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.3 | 173.4 | -178.3 | -117.8 | 0 | 0 | 0 | 110.9 | V190 A197 P219 F223 | V190-F217 HydrophobicContact CG1-CZ 3.86Å; V190-F217 HydrophobicContact CG2-CZ 4.15Å; A197-F217 HydrophobicContact CB-CD1 4.48Å; A197-F217 HydrophobicContact CB-CD2 4.31Å; A197-F217 HydrophobicContact CB-CE1 3.94Å; A197-F217 HydrophobicContact CB-CE2 3.77Å; A197-F217 HydrophobicContact CB-CZ 3.56Å; F217-P219 HydrophobicContact CD1-CG 4.41Å; F217-P219 HydrophobicContact CE1-CB 4.43Å; F217-P219 HydrophobicContact CE1-CG 3.95Å; F217-F223 HydrophobicContact CB-CD1 4.02Å; F217-F223 HydrophobicContact CB-CE1 3.73Å; F217-F223 HydrophobicContact CB-CZ 4.27Å; F217-F223 HydrophobicContact CD2-CD1 4.04Å; F217-F223 AromaticContact CD2-CD2 3.95Å; F217-F223 HydrophobicContact CD2-CD2 3.95Å; F217-F223 AromaticContact CD2-CE1 3.86Å; F217-F223 HydrophobicContact CD2-CE1 3.86Å; F217-F223 AromaticContact CD2-CE2 3.74Å; F217-F223 HydrophobicContact CD2-CE2 3.74Å; F217-F223 HydrophobicContact CD2-CG 4.09Å; F217-F223 AromaticContact CD2-CZ 3.68Å; F217-F223 HydrophobicContact CD2-CZ 3.68Å; F217-F223 HydrophobicContact CE2-CD2 4.39Å; F217-F223 HydrophobicContact CE2-CE2 4.08Å; F217-F223 HydrophobicContact CE2-CZ 4.34Å; F217-F223 HydrophobicContact CG-CD1 4.48Å; F217-F223 HydrophobicContact CG-CE1 4.08Å; F217-F223 HydrophobicContact CG-CZ 4.13Å |
| 218 | D | 94.9 | Very high | 85.6 | Confident | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.6 | 171.2 | 178.9 | -20.7 | 0 | 0 | 0 | 108.2 | T220 K221 G222 I224 | D218-T220 PolarHBondContact O-N 3.35Å; D218-T220 WeakPolarHBondContact OD1-CB 3.35Å; D218-T220 PolarHBondContact OD1-N 3.43Å; D218-T220 PolarHBondContact OD1-OG1 3.4Å; D218-T220 PolarHBondContact OD2-OG1 3.01Å; D218-K221 HydrophobicContact CB-CB 4.15Å; D218-K221 PolarHBondContact O-N 3.45Å; D218-K221 WeakPolarHBondContact OD2-CD 3.2Å; D218-G222 PolarHBondContact N-O 2.9Å; D218-G222 WeakPolarHBondContact O-CA 3.31Å; D218-G222 PolarHBondContact O-N 2.93Å; D218-I224 HydrophobicContact CB-CD1 3.91Å |
| 219 | P | 94.9 | Very high | 85.5 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 20% | 0.201 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26 | -178.6 | -28.5 | 35.7 | 0 | 0 | 0 | 114.7 | V190 F217 | V190-P219 HydrophobicContact CG2-CB 3.62Å; V190-P219 PolarHBondContact N-O 3.19Å; F217-P219 HydrophobicContact CD1-CG 4.41Å; F217-P219 HydrophobicContact CE1-CB 4.43Å; F217-P219 HydrophobicContact CE1-CG 3.95Å |
| 220 | T | 95.5 | Very high | 85.8 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 23% | 0.233 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -17.4 | -179.1 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | Y156 Y158 R189 D218 | Y156-T220 HydrophobicContact CD1-CG2 3.85Å; Y156-T220 HydrophobicContact CD2-CG2 3.73Å; Y156-T220 HydrophobicContact CE1-CG2 4.05Å; Y156-T220 HydrophobicContact CE2-CG2 3.96Å; Y156-T220 HydrophobicContact CG-CG2 3.67Å; Y156-T220 PolarHBondContact OH-O 3.06Å; Y158-T220 WeakPolarHBondContact OH-CG2 3.34Å; R189-T220 WeakPolarHBondContact CD-O 3.43Å; R189-T220 WeakPolarHBondContact CG-O 3.48Å; D218-T220 PolarHBondContact O-N 3.35Å; D218-T220 WeakPolarHBondContact OD1-CB 3.35Å; D218-T220 PolarHBondContact OD1-N 3.43Å; D218-T220 PolarHBondContact OD1-OG1 3.4Å; D218-T220 PolarHBondContact OD2-OG1 3.01Å |
| 221 | K | 94.9 | Very high | 86.9 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -35.1 | -175.3 | -60.4 | -177.5 | -172.9 | 174.9 | 0 | 113.7 | V185 P187 D218 I224 | V185-K221 HydrophobicContact CG1-CB 4.23Å; P187-K221 WeakPolarHBondContact CA-O 3.35Å; D218-K221 HydrophobicContact CB-CB 4.15Å; D218-K221 PolarHBondContact O-N 3.45Å; D218-K221 WeakPolarHBondContact OD2-CD 3.2Å; K221-I224 HydrophobicContact CD-CD1 4.48Å |
| 222 | G | 95.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.7 | -150 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112 | V186 D218 | V186-G222 WeakPolarHBondContact O-CA 3.42Å; D218-G222 PolarHBondContact N-O 2.9Å; D218-G222 WeakPolarHBondContact O-CA 3.31Å; D218-G222 PolarHBondContact O-N 2.93Å |
| 223 | F | 95.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.8 | 179.7 | -77.8 | -81.6 | 0 | 0 | 0 | 111.8 | V185 V186 C188 A197 S198 L199 L215 F217 C238 | V185-F223 CarbonylContact C-O 3.59Å; V185-F223 VanDerWaalsContact CA-O 3.32Å; V185-F223 WeakPolarHBondContact CA-O 3.4Å; V186-F223 HydrophobicContact CB-CB 4.25Å; V186-F223 PolarHBondContact N-O 2.86Å; V186-F223 PolarHBondContact O-N 2.88Å; C188-F223 VanDerWaalsContact SG-CD2 3.58Å; A197-F223 HydrophobicContact CB-CE2 4.13Å; A197-F223 HydrophobicContact CB-CZ 4.12Å; A197-F223 WeakPolarHBondContact O-CZ 3.19Å; S198-F223 VanDerWaalsContact C-CZ 3.45Å; L199-F223 HydrophobicContact CB-CD1 4.18Å; L199-F223 HydrophobicContact CB-CD2 3.85Å; L199-F223 HydrophobicContact CB-CE1 4.24Å; L199-F223 HydrophobicContact CB-CE2 3.95Å; L199-F223 HydrophobicContact CB-CG 3.97Å; L199-F223 HydrophobicContact CB-CZ 4.15Å; L199-F223 HydrophobicContact CD1-CD2 4.25Å; L199-F223 HydrophobicContact CD2-CB 4.22Å; L199-F223 HydrophobicContact CD2-CG 4.38Å; L199-F223 HydrophobicContact CG-CD2 4.5Å; L215-F223 HydrophobicContact CD1-CB 3.92Å; L215-F223 HydrophobicContact CD1-CD1 3.69Å; L215-F223 HydrophobicContact CD1-CG 4.17Å; L215-F223 HydrophobicContact CD2-CD1 3.87Å; L215-F223 HydrophobicContact CD2-CE1 4.07Å; L215-F223 HydrophobicContact CG-CD1 3.74Å; L215-F223 HydrophobicContact CG-CE1 4.34Å; F217-F223 HydrophobicContact CB-CD1 4.02Å; F217-F223 HydrophobicContact CB-CE1 3.73Å; F217-F223 HydrophobicContact CB-CZ 4.27Å; F217-F223 HydrophobicContact CD2-CD1 4.04Å; F217-F223 AromaticContact CD2-CD2 3.95Å; F217-F223 HydrophobicContact CD2-CD2 3.95Å; F217-F223 AromaticContact CD2-CE1 3.86Å; F217-F223 HydrophobicContact CD2-CE1 3.86Å; F217-F223 AromaticContact CD2-CE2 3.74Å; F217-F223 HydrophobicContact CD2-CE2 3.74Å; F217-F223 HydrophobicContact CD2-CG 4.09Å; F217-F223 AromaticContact CD2-CZ 3.68Å; F217-F223 HydrophobicContact CD2-CZ 3.68Å; F217-F223 HydrophobicContact CE2-CD2 4.39Å; F217-F223 HydrophobicContact CE2-CE2 4.08Å; F217-F223 HydrophobicContact CE2-CZ 4.34Å; F217-F223 HydrophobicContact CG-CD1 4.48Å; F217-F223 HydrophobicContact CG-CE1 4.08Å; F217-F223 HydrophobicContact CG-CZ 4.13Å; F223-C238 HydrophobicContact CE2-CB 4.31Å |
| 224 | I | 94.8 | Very high | 91.5 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.7 | 179.6 | -55.1 | 166.8 | 0 | 0 | 0 | 108.3 | P183 V185 T216 D218 K221 R226 | P183-I224 HydrophobicContact CB-CG2 4.3Å; V185-I224 HydrophobicContact CG2-CG1 4.22Å; T216-I224 PolarHBondContact N-O 2.91Å; T216-I224 PolarHBondContact O-N 3.28Å; D218-I224 HydrophobicContact CB-CD1 3.91Å; K221-I224 HydrophobicContact CD-CD1 4.48Å; I224-R226 HydrophobicContact CG2-CG 4.46Å |
| 225 | L | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 101.1 | 173.1 | -60.6 | 169.5 | 0 | 0 | 0 | 107.8 | L178 P183 A184 V186 L199 L215 P228 L232 L254 | L178-L225 HydrophobicContact CD2-CD1 3.81Å; P183-L225 CarbonylContact C-O 3.6Å; P183-L225 WeakPolarHBondContact CA-O 3.24Å; P183-L225 WeakPolarHBondContact CB-O 3.49Å; A184-L225 HydrophobicContact CB-CB 4.31Å; A184-L225 HydrophobicContact CB-CD1 4.36Å; A184-L225 PolarHBondContact N-O 2.87Å; A184-L225 PolarHBondContact O-N 2.01Å; V186-L225 HydrophobicContact CG2-CD1 4.24Å; L199-L225 HydrophobicContact CD2-CD2 4.45Å; L215-L225 HydrophobicContact CD1-CD2 3.54Å; L215-L225 HydrophobicContact CD1-CG 4.45Å; L225-P228 HydrophobicContact CB-CB 4.21Å; L225-L232 HydrophobicContact CD1-CD1 4.21Å; L225-L232 HydrophobicContact CD2-CD1 3.98Å; L225-L254 HydrophobicContact CD1-CD2 3.82Å |
| 226 | R | 90.4 | Very high | 92.6 | Very high | 153 Ų | 153 | 45.8 Ų | 45.8 | 58% | 0.577 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -71.3 | -38 | -174 | -67.4 | -172.8 | -175.3 | -170.5 | 1.7 | 113.2 | L214 T216 I224 | L214-R226 HydrophobicContact CB-CB 4.03Å; L214-R226 HydrophobicContact CB-CG 4.43Å; T216-R226 PolarHBondContact OG1-NE 2.85Å; T216-R226 PolarHBondContact OG1-NH2 2.83Å; I224-R226 HydrophobicContact CG2-CG 4.46Å |
| 227 | N | 87.1 | Confident | 92.8 | Very high | 94 Ų | 94 | 46 Ų | 46 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -129 | 80.2 | 178.3 | -172.3 | 40.5 | 0 | 0 | 0 | 108.6 | ||
| 228 | P | 88.8 | Confident | 92.9 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | trans | -76.3 | 138 | -176.4 | 33.4 | -35.2 | 0 | 0 | 0 | 110.6 | L178 R179 A184 L225 | L178-P228 HydrophobicContact CB-CB 4.01Å; L178-P228 HydrophobicContact CB-CG 4.47Å; L178-P228 HydrophobicContact CD1-CB 4.45Å; L178-P228 HydrophobicContact CD2-CB 3.86Å; L178-P228 HydrophobicContact CG-CB 4.32Å; R179-P228 WeakPolarHBondContact O-CG 3.39Å; A184-P228 HydrophobicContact CB-CB 4.42Å; A184-P228 HydrophobicContact CB-CG 4.33Å; L225-P228 HydrophobicContact CB-CB 4.21Å | ||
| 229 | S | 87.6 | Confident | 92.9 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | trans | -123.9 | 164.4 | -175.3 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | D231 L232 | S229-D231 WeakPolarHBondContact CB-OD1 3.47Å; S229-D231 PolarHBondContact O-N 3.43Å; S229-D231 PolarHBondContact OG-OD1 2.88Å; S229-L232 WeakPolarHBondContact O-CB 3.39Å; S229-L232 PolarHBondContact O-N 3.35Å; S229-L232 VanDerWaalsContact O-N 3.16Å | ||
| 230 | A | 90.2 | Very high | 92.9 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -65.5 | -24.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L232 Q233 Y256 | A230-L232 PolarHBondContact O-N 3.37Å; A230-Q233 VanDerWaalsContact O-CB 3.27Å; A230-Q233 WeakPolarHBondContact O-CB 3.4Å; A230-Q233 PolarHBondContact O-N 2.66Å; A230-Q233 VanDerWaalsContact O-N 3.11Å; A230-Y256 HydrophobicContact CB-CD1 3.82Å; A230-Y256 HydrophobicContact CB-CD2 4.15Å; A230-Y256 HydrophobicContact CB-CE1 4.06Å; A230-Y256 HydrophobicContact CB-CE2 4.4Å; A230-Y256 HydrophobicContact CB-CG 3.85Å |
| 231 | D | 89.3 | Confident | 92.6 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -66.9 | -16.8 | 175.6 | 59.4 | -66.3 | 0 | 0 | 0 | 113.8 | R201 S229 Q233 | R201-D231 PolarHBondContact NH1-O 2.83Å; S229-D231 WeakPolarHBondContact CB-OD1 3.47Å; S229-D231 PolarHBondContact O-N 3.43Å; S229-D231 PolarHBondContact OG-OD1 2.88Å; D231-Q233 VanDerWaalsContact C-N 3.27Å |
| 232 | L | 90.2 | Very high | 92 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -85.9 | 7.4 | 172.7 | -67.5 | 176.9 | 0 | 0 | 0 | 113.4 | L178 I208 T213 L225 S229 A230 G234 F236 L254 | L178-L232 HydrophobicContact CD1-CB 3.73Å; I208-L232 HydrophobicContact CD1-CD2 4.4Å; I208-L232 HydrophobicContact CG2-CD2 4.42Å; T213-L232 HydrophobicContact CG2-CD1 3.39Å; T213-L232 HydrophobicContact CG2-CD2 4.08Å; T213-L232 HydrophobicContact CG2-CG 3.99Å; L225-L232 HydrophobicContact CD1-CD1 4.21Å; L225-L232 HydrophobicContact CD2-CD1 3.98Å; S229-L232 WeakPolarHBondContact O-CB 3.39Å; S229-L232 PolarHBondContact O-N 3.35Å; S229-L232 VanDerWaalsContact O-N 3.16Å; A230-L232 PolarHBondContact O-N 3.37Å; L232-G234 PolarHBondContact O-N 2.74Å; L232-F236 HydrophobicContact CB-CZ 4.44Å; L232-F236 HydrophobicContact CD2-CE1 4.37Å; L232-F236 HydrophobicContact CD2-CZ 4.21Å; L232-F236 WeakPolarHBondContact O-CE2 3.19Å; L232-F236 WeakPolarHBondContact O-CZ 3.48Å; L232-L254 WeakPolarHBondContact O-CB 3.38Å |
| 233 | Q | 92.6 | Very high | 91.1 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | trans | -68.7 | 129.4 | 171.6 | -175.7 | 174.2 | -10.3 | 0 | 0 | 110.3 | A230 D231 | A230-Q233 VanDerWaalsContact O-CB 3.27Å; A230-Q233 WeakPolarHBondContact O-CB 3.4Å; A230-Q233 PolarHBondContact O-N 2.66Å; A230-Q233 VanDerWaalsContact O-N 3.11Å; D231-Q233 VanDerWaalsContact C-N 3.27Å | ||
| 234 | G | 94.1 | Very high | 90 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | -167.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L232 F236 Q253 L254 | L232-G234 PolarHBondContact O-N 2.74Å; G234-F236 WeakPolarHBondContact O-CD2 3.41Å; G234-Q253 PolarHBondContact O-NE2 2.77Å; G234-Q253 VanDerWaalsContact O-NE2 3.14Å; G234-L254 PolarHBondContact N-O 2.95Å; G234-L254 PolarHBondContact O-N 2.9Å |
| 235 | V | 95.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.5 | 179 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | E202 K251 Y252 | E202-V235 HydrophobicContact CB-CB 4.14Å; E202-V235 HydrophobicContact CB-CG1 4.4Å; E202-V235 PolarHBondContact N-O 3.32Å; E202-V235 VanDerWaalsContact OE2-CG1 3.27Å; E202-V235 WeakPolarHBondContact OE2-CG1 3.22Å; V235-K251 HydrophobicContact CG1-CB 3.88Å; V235-K251 HydrophobicContact CG1-CD 4Å; V235-K251 HydrophobicContact CG1-CG 4.23Å; V235-Y252 CarbonylContact C-O 3.27Å; V235-Y252 WeakPolarHBondContact CA-O 3.39Å |
| 236 | F | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.8 | -176.9 | -67.9 | -103 | 0 | 0 | 0 | 111.2 | L199 H200 R201 I208 L232 G234 K251 Y252 L254 | L199-F236 HydrophobicContact CD1-CB 4.14Å; L199-F236 HydrophobicContact CD1-CD1 4.32Å; L199-F236 HydrophobicContact CD2-CD1 4.42Å; L199-F236 HydrophobicContact CG-CD1 4.19Å; H200-F236 CarbonylContact O-C 3.59Å; H200-F236 WeakPolarHBondContact O-CA 3.32Å; H200-F236 WeakPolarHBondContact O-CB 3.39Å; H200-F236 WeakPolarHBondContact O-CD1 3.28Å; R201-F236 HydrophobicContact CB-CD1 4.03Å; R201-F236 HydrophobicContact CB-CE1 3.7Å; R201-F236 HydrophobicContact CB-CZ 4.16Å; R201-F236 HydrophobicContact CG-CE1 4.11Å; R201-F236 HydrophobicContact CG-CE2 4.46Å; R201-F236 HydrophobicContact CG-CZ 4.04Å; I208-F236 HydrophobicContact CD1-CE1 3.92Å; I208-F236 HydrophobicContact CG1-CD1 4.17Å; I208-F236 HydrophobicContact CG1-CE1 3.71Å; L232-F236 HydrophobicContact CB-CZ 4.44Å; L232-F236 HydrophobicContact CD2-CE1 4.37Å; L232-F236 HydrophobicContact CD2-CZ 4.21Å; L232-F236 WeakPolarHBondContact O-CE2 3.19Å; L232-F236 WeakPolarHBondContact O-CZ 3.48Å; G234-F236 WeakPolarHBondContact O-CD2 3.41Å; F236-K251 CarbonylContact O-C 3.55Å; F236-K251 WeakPolarHBondContact O-CA 3.43Å; F236-Y252 PolarHBondContact N-O 2.88Å; F236-Y252 PolarHBondContact O-N 2.93Å; F236-L254 HydrophobicContact CB-CD1 4.28Å; F236-L254 HydrophobicContact CD2-CB 4.08Å; F236-L254 HydrophobicContact CD2-CD1 3.84Å; F236-L254 HydrophobicContact CD2-CD2 3.75Å; F236-L254 HydrophobicContact CD2-CG 4.09Å; F236-L254 HydrophobicContact CE2-CB 4.08Å; F236-L254 HydrophobicContact CE2-CD2 3.84Å; F236-L254 HydrophobicContact CE2-CG 4.38Å; F236-L254 HydrophobicContact CG-CD1 4.28Å; F236-L254 HydrophobicContact CG-CD2 4.2Å; F236-L254 HydrophobicContact CZ-CD2 4.31Å |
| 237 | Y | 95.6 | Very high | 89.5 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 152.8 | 171.9 | 60 | -84.2 | 0 | 0 | 0 | 109.4 | H200 E202 I248 | H200-Y237 HydrophobicContact CB-CD1 4.31Å; H200-Y237 HydrophobicContact CB-CD2 4.07Å; H200-Y237 HydrophobicContact CB-CE1 3.83Å; H200-Y237 HydrophobicContact CB-CE2 3.57Å; H200-Y237 HydrophobicContact CB-CG 4.42Å; H200-Y237 VanDerWaalsContact CB-CZ 3.42Å; H200-Y237 PolarHBondContact N-O 2.88Å; H200-Y237 PolarHBondContact O-N 2.88Å; E202-Y237 HydrophobicContact CB-CE1 4.46Å; Y237-I248 HydrophobicContact CD2-CB 4.13Å; Y237-I248 HydrophobicContact CD2-CG2 3.9Å; Y237-I248 HydrophobicContact CE2-CG2 4.03Å |
| 238 | C | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.4 | 174.3 | -57 | 0 | 0 | 0 | 0 | 109.5 | F166 C188 S198 F223 I248 S249 | F166-C238 HydrophobicContact CE1-CB 3.68Å; F166-C238 HydrophobicContact CZ-CB 3.73Å; C188-C238 HydrophobicContact CB-CB 3.46Å; C188-C238 VanDerWaalsContact CB-CB 3.46Å; C188-C238 WeakPolarHBondContact CB-SG 3.42Å; C188-C238 WeakPolarHBondContact SG-CB 3.46Å; C188-C238 CovalentContact SG-SG 2.01Å; C188-C238 PolarHBondContact SG-SG 3.04Å; S198-C238 CarbonylContact O-C 3.48Å; S198-C238 VanDerWaalsContact O-CA 3.32Å; S198-C238 WeakPolarHBondContact O-CA 3.41Å; F223-C238 HydrophobicContact CE2-CB 4.31Å; C238-I248 CarbonylContact O-C 3.56Å; C238-I248 VanDerWaalsContact O-CA 3.28Å; C238-I248 WeakPolarHBondContact O-CA 3.48Å; C238-S249 PolarHBondContact N-OG 2.91Å; C238-S249 PolarHBondContact O-N 2.82Å |
| 239 | K | 95.3 | Very high | 90 | Very high | 86 Ų | 86 | 55 Ų | 55 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.2 | 177.3 | -176.5 | -177.5 | 178.4 | -176.7 | 0 | 108.9 | A197 S198 Q247 | A197-K239 CarbonylContact C-O 3.58Å; A197-K239 WeakPolarHBondContact CA-O 2.93Å; S198-K239 PolarHBondContact N-O 2.65Å; S198-K239 PolarHBondContact O-N 3.02Å; S198-K239 PolarHBondContact OG-O 3.11Å; K239-Q247 WeakPolarHBondContact CA-O 3.46Å |
| 240 | A | 94.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L165 F166 V195 E196 A197 P246 Q247 | L165-A240 HydrophobicContact CD1-CB 4.33Å; F166-A240 HydrophobicContact CE1-CB 4.2Å; F166-A240 HydrophobicContact CE2-CB 3.83Å; F166-A240 HydrophobicContact CZ-CB 3.45Å; F166-A240 VanDerWaalsContact CZ-CB 3.45Å; V195-A240 HydrophobicContact CG1-CB 4.49Å; V195-A240 HydrophobicContact CG2-CB 3.98Å; E196-A240 WeakPolarHBondContact O-CA 3.49Å; A197-A240 HydrophobicContact CB-CB 4.26Å; A240-P246 CarbonylContact O-C 3.54Å; A240-P246 WeakPolarHBondContact O-CA 3.43Å; A240-Q247 PolarHBondContact N-O 2.82Å; A240-Q247 PolarHBondContact O-N 3.07Å |
| 241 | A | 89.7 | Confident | 90.4 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V195 T245 | V195-A241 WeakPolarHBondContact CG2-O 3.4Å; A241-T245 WeakPolarHBondContact CA-O 3.27Å |
| 242 | S | 82.9 | Confident | 90.7 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.8 | 168.6 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | G244 T245 | S242-G244 PolarHBondContact O-N 2.99Å; S242-G244 VanDerWaalsContact O-N 3.1Å; S242-T245 PolarHBondContact N-O 2.86Å; S242-T245 PolarHBondContact O-N 2.79Å |
| 243 | K | 75.1 | Confident | 90.9 | Very high | 186 Ų | 186 | 55 Ų | 55 | 81% | 0.809 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 32.6 | 179.8 | -57 | -175.5 | 177.5 | -169.5 | 0 | 114.8 | ||
| 244 | G | 72.4 | Confident | 91 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | -5.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116 | S242 P246 | S242-G244 PolarHBondContact O-N 2.99Å; S242-G244 VanDerWaalsContact O-N 3.1Å; G244-P246 WeakPolarHBondContact O-CD 3.46Å |
| 245 | T | 83.1 | Confident | 90.9 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.4 | 173.2 | -53.7 | 0 | 0 | 0 | 0 | 110 | A241 S242 | A241-T245 WeakPolarHBondContact CA-O 3.27Å; S242-T245 PolarHBondContact N-O 2.86Å; S242-T245 PolarHBondContact O-N 2.79Å |
| 246 | P | 90.8 | Very high | 90.6 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.6 | 176 | 30.7 | -33 | 0 | 0 | 0 | 110.7 | A240 G244 | A240-P246 CarbonylContact O-C 3.54Å; A240-P246 WeakPolarHBondContact O-CA 3.43Å; G244-P246 WeakPolarHBondContact O-CD 3.46Å |
| 247 | Q | 93.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.8 | 168.8 | -62.7 | -166.9 | -1.7 | 0 | 0 | 110 | K162 E163 L165 K239 A240 | K162-Q247 PolarHBondContact O-NE2 3.05Å; E163-Q247 VanDerWaalsContact C-NE2 3.3Å; E163-Q247 PolarHBondContact O-NE2 2.88Å; E163-Q247 PolarHBondContact O-OE1 3.26Å; L165-Q247 HydrophobicContact CD1-CB 4.18Å; L165-Q247 HydrophobicContact CD1-CG 4.04Å; L165-Q247 HydrophobicContact CG-CB 4.49Å; L165-Q247 HydrophobicContact CG-CG 4.24Å; K239-Q247 WeakPolarHBondContact CA-O 3.46Å; A240-Q247 PolarHBondContact N-O 2.82Å; A240-Q247 PolarHBondContact O-N 3.07Å |
| 248 | I | 93.8 | Very high | 89.1 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145.9 | 174.1 | 63.7 | 174.5 | 0 | 0 | 0 | 109.8 | Y237 C238 | Y237-I248 HydrophobicContact CD2-CB 4.13Å; Y237-I248 HydrophobicContact CD2-CG2 3.9Å; Y237-I248 HydrophobicContact CE2-CG2 4.03Å; C238-I248 CarbonylContact O-C 3.56Å; C238-I248 VanDerWaalsContact O-CA 3.28Å; C238-I248 WeakPolarHBondContact O-CA 3.48Å |
| 249 | S | 93.9 | Very high | 87.6 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 178.6 | 170.9 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | C238 Y252 | C238-S249 PolarHBondContact N-OG 2.91Å; C238-S249 PolarHBondContact O-N 2.82Å; S249-Y252 WeakPolarHBondContact OG-CE2 3.32Å |
| 250 | T | 92.4 | Very high | 85.9 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 165.5 | 158.8 | -162.9 | 0 | 0 | 0 | 0 | 111.4 | H172 Y252 | H172-T250 PolarHBondContact O-OG1 3.07Å; T250-Y252 HydrophobicContact CG2-CE1 3.85Å; T250-Y252 HydrophobicContact CG2-CE2 4.35Å; T250-Y252 WeakPolarHBondContact O-CE2 3.41Å |
| 251 | K | 94.1 | Very high | 84.6 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 144 | 179.4 | -67 | -179.5 | 177.1 | -170.2 | 0 | 111.3 | F173 E202 V235 F236 | F173-K251 HydrophobicContact CD1-CB 4.36Å; F173-K251 HydrophobicContact CE1-CB 4.35Å; F173-K251 HydrophobicContact CE1-CD 4.4Å; E202-K251 IonicContact OE1-NZ 3.96Å; E202-K251 PolarHBondContact OE1-NZ 2.96Å; E202-K251 WeakPolarHBondContact OE2-CD 3.47Å; E202-K251 WeakPolarHBondContact OE2-CE 3.15Å; E202-K251 IonicContact OE2-NZ 2.66Å; E202-K251 PolarHBondContact OE2-NZ 3.32Å; V235-K251 HydrophobicContact CG1-CB 3.88Å; V235-K251 HydrophobicContact CG1-CD 4Å; V235-K251 HydrophobicContact CG1-CG 4.23Å; F236-K251 CarbonylContact O-C 3.55Å; F236-K251 WeakPolarHBondContact O-CA 3.43Å |
| 252 | Y | 95 | Very high | 83.9 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.027 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.6 | -180 | -53.7 | -80.6 | 0 | 0 | 0 | 109.9 | E174 V186 P187 C188 V235 F236 S249 T250 | E174-Y252 HydrophobicContact CB-CD1 3.92Å; E174-Y252 HydrophobicContact CB-CE1 4.22Å; E174-Y252 HydrophobicContact CG-CD1 4.43Å; E174-Y252 CarbonylContact O-C 3.56Å; E174-Y252 WeakPolarHBondContact O-CA 3.14Å; V186-Y252 HydrophobicContact CG1-CD1 4.3Å; V186-Y252 HydrophobicContact CG1-CD2 3.39Å; V186-Y252 HydrophobicContact CG1-CE2 3.8Å; V186-Y252 HydrophobicContact CG1-CG 3.68Å; P187-Y252 HydrophobicContact CG-CD1 4.15Å; P187-Y252 HydrophobicContact CG-CE1 3.73Å; C188-Y252 WeakPolarHBondContact CA-OH 3.48Å; C188-Y252 HydrophobicContact CB-CE2 3.87Å; C188-Y252 WeakPolarHBondContact CB-OH 3.36Å; V235-Y252 CarbonylContact C-O 3.27Å; V235-Y252 WeakPolarHBondContact CA-O 3.39Å; F236-Y252 PolarHBondContact N-O 2.88Å; F236-Y252 PolarHBondContact O-N 2.93Å; S249-Y252 WeakPolarHBondContact OG-CE2 3.32Å; T250-Y252 HydrophobicContact CG2-CE1 3.85Å; T250-Y252 HydrophobicContact CG2-CE2 4.35Å; T250-Y252 WeakPolarHBondContact O-CE2 3.41Å |
| 253 | Q | 94.9 | Very high | 83.9 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 109.4 | 173.6 | 177.8 | 62.8 | 64 | 0 | 0 | 108.9 | E174 I175 V176 G234 L255 | E174-Q253 PolarHBondContact O-N 3.49Å; I175-Q253 WeakPolarHBondContact CA-O 3Å; I175-Q253 HydrophobicContact CG1-CB 4.47Å; V176-Q253 PolarHBondContact N-O 3.34Å; G234-Q253 PolarHBondContact O-NE2 2.77Å; G234-Q253 VanDerWaalsContact O-NE2 3.14Å; Q253-L255 HydrophobicContact CG-CD2 3.81Å; Q253-L255 HydrophobicContact CG-CG 4.04Å |
| 254 | L | 94.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.1 | 174.6 | -85.2 | 60.5 | 0 | 0 | 0 | 108.9 | V176 L178 V186 L225 L232 G234 F236 | V176-L254 HydrophobicContact CB-CD1 3.91Å; V176-L254 HydrophobicContact CB-CG 4.08Å; V176-L254 HydrophobicContact CG1-CG 4.4Å; V176-L254 HydrophobicContact CG2-CD1 4.18Å; V176-L254 WeakPolarHBondContact O-CA 3.26Å; L178-L254 HydrophobicContact CD1-CB 4.02Å; L178-L254 HydrophobicContact CD1-CD2 4.2Å; L178-L254 HydrophobicContact CD1-CG 4.39Å; L178-L254 HydrophobicContact CD2-CB 4.43Å; L178-L254 HydrophobicContact CD2-CD2 3.95Å; L178-L254 HydrophobicContact CD2-CG 4.01Å; L178-L254 HydrophobicContact CG-CB 4.17Å; L178-L254 HydrophobicContact CG-CD2 4.45Å; L178-L254 HydrophobicContact CG-CG 4.31Å; V186-L254 HydrophobicContact CG2-CD1 4.19Å; V186-L254 HydrophobicContact CG2-CD2 4.26Å; L225-L254 HydrophobicContact CD1-CD2 3.82Å; L232-L254 WeakPolarHBondContact O-CB 3.38Å; G234-L254 PolarHBondContact N-O 2.95Å; G234-L254 PolarHBondContact O-N 2.9Å; F236-L254 HydrophobicContact CB-CD1 4.28Å; F236-L254 HydrophobicContact CD2-CB 4.08Å; F236-L254 HydrophobicContact CD2-CD1 3.84Å; F236-L254 HydrophobicContact CD2-CD2 3.75Å; F236-L254 HydrophobicContact CD2-CG 4.09Å; F236-L254 HydrophobicContact CE2-CB 4.08Å; F236-L254 HydrophobicContact CE2-CD2 3.84Å; F236-L254 HydrophobicContact CE2-CG 4.38Å; F236-L254 HydrophobicContact CG-CD1 4.28Å; F236-L254 HydrophobicContact CG-CD2 4.2Å; F236-L254 HydrophobicContact CZ-CD2 4.31Å |
| 255 | L | 92.6 | Very high | 85.3 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120 | 179.8 | -62.7 | -178.4 | 0 | 0 | 0 | 109.9 | I175 V176 Y177 L178 Q253 | I175-L255 HydrophobicContact CG2-CD1 3.68Å; I175-L255 HydrophobicContact CG2-CG 4.11Å; V176-L255 PolarHBondContact O-N 2.95Å; Y177-L255 WeakPolarHBondContact CA-O 3.11Å; Y177-L255 HydrophobicContact CD1-CB 4.29Å; Y177-L255 HydrophobicContact CE1-CD1 4.23Å; L178-L255 PolarHBondContact N-O 3.43Å; Q253-L255 HydrophobicContact CG-CD2 3.81Å; Q253-L255 HydrophobicContact CG-CG 4.04Å |
| 256 | Y | 89.3 | Confident | 85.8 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 24% | 0.239 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.9 | 173.8 | -172.9 | -97.6 | 0 | 0 | 0 | 110.7 | L178 A230 E258 | L178-Y256 HydrophobicContact CB-CD2 4.04Å; A230-Y256 HydrophobicContact CB-CD1 3.82Å; A230-Y256 HydrophobicContact CB-CD2 4.15Å; A230-Y256 HydrophobicContact CB-CE1 4.06Å; A230-Y256 HydrophobicContact CB-CE2 4.4Å; A230-Y256 HydrophobicContact CB-CG 3.85Å; Y256-E258 HydrophobicContact CD1-CG 4.28Å; Y256-E258 HydrophobicContact CE1-CG 3.56Å |
| 257 | V | 84.6 | Confident | 86 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 37% | 0.37 | 33% | 0.327 | S | S | . | . | trans | -120.6 | 114.7 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | Y177 L178 R179 V259 | Y177-V257 HydrophobicContact CD1-CG2 3.67Å; Y177-V257 HydrophobicContact CE1-CG2 4.27Å; L178-V257 PolarHBondContact O-N 3.3Å; R179-V257 HydrophobicContact CG-CB 4.46Å; V257-V259 PolarHBondContact O-N 2.88Å | ||
| 258 | E | 73.6 | Confident | 86.1 | Confident | 152 Ų | 152 | 58.2 Ų | 58.2 | 71% | 0.71 | 33% | 0.327 | S | S | * | . | trans | -64.3 | 120.3 | 164.8 | -70.1 | -173.7 | 168.2 | 0 | 0 | 108.1 | Y256 P260 | Y256-E258 HydrophobicContact CD1-CG 4.28Å; Y256-E258 HydrophobicContact CE1-CG 3.56Å; E258-P260 WeakPolarHBondContact O-CD 3.27Å | ||
| 259 | V | 64.6 | Low | 86.2 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | trans | -81.7 | 119.3 | 170.1 | -174.3 | 0 | 0 | 0 | 0 | 105.6 | R179 V257 S261 | R179-V259 HydrophobicContact CB-CG2 3.85Å; R179-V259 HydrophobicContact CG-CG2 3.57Å; R179-V259 VanDerWaalsContact CZ-CG2 3.4Å; V257-V259 PolarHBondContact O-N 2.88Å; V259-S261 PolarHBondContact O-N 3.27Å | ||
| 260 | P | 60.1 | Low | 86.2 | Confident | 130 Ų | 130 | 55.1 Ų | 55.1 | 84% | 0.844 | 32% | 0.323 | S | S | * | . | trans | -64.4 | 91.8 | 169.1 | -10.5 | 25.2 | 0 | 0 | 0 | 107.5 | E258 | E258-P260 WeakPolarHBondContact O-CD 3.27Š| ||
| 261 | S | 67.3 | Low | 86.3 | Confident | 85 Ų | 85 | 57 Ų | 57 | 59% | 0.594 | 34% | 0.337 | S | S | * | . | trans | -84.6 | 124.8 | 169.4 | 72.5 | 0 | 0 | 0 | 0 | 107.2 | V259 | V259-S261 PolarHBondContact O-N 3.27Š| ||
| 262 | G | 73.8 | Confident | 86.1 | Confident | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | trans | -166.8 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N352 N354 | G262-N352 PolarHBondContact O-ND2 3.3Å; G262-N354 WeakPolarHBondContact O-CB 3.45Å | ||
| 263 | A | 83.7 | Confident | 85.5 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 37% | 0.372 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -56.3 | 146.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T357 | A263-T357 VanDerWaalsContact CB-OG1 3.24Å; A263-T357 WeakPolarHBondContact CB-OG1 3.45Å |
| 264 | P | 88.1 | Confident | 85.1 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.052 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 144.7 | -173.3 | 22.7 | -31.9 | 0 | 0 | 0 | 111.6 | V266 V287 A350 T357 | P264-V266 HydrophobicContact CB-CG2 4.43Å; P264-V266 HydrophobicContact CG-CG2 4.32Å; P264-V266 WeakPolarHBondContact O-CG2 3.38Å; P264-V266 PolarHBondContact O-N 3.08Å; P264-V287 HydrophobicContact CB-CG1 3.53Å; P264-A350 HydrophobicContact CG-CB 3.94Å; P264-A350 WeakPolarHBondContact CG-O 3.44Å; P264-T357 VanDerWaalsContact O-CB 3.24Å; P264-T357 WeakPolarHBondContact O-CB 3.48Å; P264-T357 PolarHBondContact O-OG1 2.91Å |
| 265 | F | 88.1 | Confident | 84.9 | Confident | 149 Ų | 149 | 66.6 Ų | 66.6 | 65% | 0.654 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 117.6 | 169.2 | -174.9 | -95.1 | 0 | 0 | 0 | 109.4 | V287 L288 | F265-V287 WeakPolarHBondContact O-CA 3.05Å; F265-L288 PolarHBondContact O-N 3.02Å |
| 266 | V | 93.8 | Very high | 84.7 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 9% | 0.085 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.7 | -173 | -165 | 0 | 0 | 0 | 0 | 110.4 | P264 C285 T286 V287 A350 T357 V359 | P264-V266 HydrophobicContact CB-CG2 4.43Å; P264-V266 HydrophobicContact CG-CG2 4.32Å; P264-V266 WeakPolarHBondContact O-CG2 3.38Å; P264-V266 PolarHBondContact O-N 3.08Å; V266-C285 WeakPolarHBondContact CG1-SG 3.48Å; V266-T286 WeakPolarHBondContact CA-O 3.33Å; V266-V287 HydrophobicContact CB-CG2 4.38Å; V266-V287 HydrophobicContact CG1-CG2 4.05Å; V266-V287 HydrophobicContact CG2-CG2 3.98Å; V266-A350 HydrophobicContact CG1-CB 4.46Å; V266-A350 HydrophobicContact CG2-CB 3.64Å; V266-T357 HydrophobicContact CB-CG2 4.06Å; V266-T357 HydrophobicContact CG2-CG2 3.53Å; V266-V359 HydrophobicContact CB-CG1 4.06Å; V266-V359 HydrophobicContact CB-CG2 4.09Å; V266-V359 HydrophobicContact CG1-CG1 4.4Å; V266-V359 HydrophobicContact CG1-CG2 3.52Å |
| 267 | S | 94.9 | Very high | 84.8 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.3 | 164.6 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | C285 T286 | S267-C285 CarbonylContact O-C 3.58Å; S267-C285 WeakPolarHBondContact O-CA 3.27Å; S267-T286 PolarHBondContact N-O 3.45Å; S267-T286 PolarHBondContact O-N 3.04Å |
| 268 | L | 96.1 | Very high | 85 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.199 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.1 | -178.5 | -168.3 | 65.7 | 0 | 0 | 0 | 109.3 | V283 T284 C285 W299 C348 V359 T361 | L268-V283 HydrophobicContact CD1-CG1 3.84Å; L268-V283 HydrophobicContact CG-CG1 4.26Å; L268-T284 WeakPolarHBondContact CA-O 3.37Å; L268-C285 HydrophobicContact CD1-CB 3.76Å; L268-W299 HydrophobicContact CD1-CH2 3.59Å; L268-W299 HydrophobicContact CD1-CZ3 3.9Å; L268-C348 HydrophobicContact CD1-CB 3.84Å; L268-V359 HydrophobicContact CB-CB 4.27Å; L268-V359 HydrophobicContact CB-CG2 3.8Å; L268-V359 HydrophobicContact CD2-CB 4.41Å; L268-V359 HydrophobicContact CD2-CG2 4.05Å; L268-V359 HydrophobicContact CG-CG2 4.36Å; L268-T361 HydrophobicContact CD2-CG2 3.62Å; L268-T361 HydrophobicContact CG-CG2 3.94Å |
| 269 | G | 95 | Very high | 85.9 | Confident | 37 Ų | 37 | 66.3 Ų | 66.3 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 145.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V283 T284 | G269-V283 CarbonylContact O-C 3.57Å; G269-V283 WeakPolarHBondContact O-CA 3.4Å; G269-T284 PolarHBondContact N-O 3.03Å; G269-T284 PolarHBondContact O-N 3.13Å |
| 270 | A | 94.4 | Very high | 87.3 | Confident | 23 Ų | 23 | 69.4 Ų | 69.4 | 19% | 0.19 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N282 V283 I363 | A270-N282 CarbonylContact C-O 3.6Å; A270-N282 WeakPolarHBondContact CA-O 3.35Å; A270-V283 HydrophobicContact CB-CG2 4.49Å; A270-I363 HydrophobicContact CB-CD1 4.02Å; A270-I363 HydrophobicContact CB-CG1 4.33Å |
| 271 | S | 93.9 | Very high | 89 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.9 | 176.8 | -174 | 0 | 0 | 0 | 0 | 109.6 | N282 | S271-N282 PolarHBondContact N-O 2.87Å; S271-N282 PolarHBondContact O-N 2.88Å |
| 272 | P | 90.2 | Very high | 90.4 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 34% | 0.344 | 38% | 0.375 | S | S | . | . | S | Bend | cis | -67.7 | 158.9 | -5.2 | 29.6 | -34.9 | 0 | 0 | 0 | 113.2 | T274 V275 | P272-T274 VanDerWaalsContact C-N 3.34Å; P272-V275 HydrophobicContact CG-CG2 4.43Å |
| 273 | E | 83.3 | Confident | 91.4 | Very high | 186 Ų | 186 | 60.8 Ų | 60.8 | 87% | 0.869 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -69.6 | -31.6 | 178.9 | -71.3 | -176.7 | 174.1 | 0 | 0 | 112.7 | ||
| 274 | T | 85.5 | Confident | 92.1 | Very high | 100 Ų | 100 | 60.4 Ų | 60.4 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -108.1 | 127.3 | 174.5 | -51.9 | 0 | 0 | 0 | 0 | 108.6 | P272 | P272-T274 VanDerWaalsContact C-N 3.34Š|
| 275 | V | 89.4 | Confident | 92.5 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -124.8 | 135.8 | -171.3 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | P272 D279 V281 M338 F343 I363 S366 | P272-V275 HydrophobicContact CG-CG2 4.43Å; V275-D279 HydrophobicContact CG1-CB 4.19Å; V275-V281 HydrophobicContact CB-CG2 4.21Å; V275-V281 HydrophobicContact CG1-CG2 3.49Å; V275-V281 VanDerWaalsContact CG1-CG2 3.49Å; V275-V281 HydrophobicContact CG2-CG1 4.33Å; V275-V281 HydrophobicContact CG2-CG2 3.59Å; V275-M338 HydrophobicContact CG1-CB 4.22Å; V275-M338 HydrophobicContact CG1-CE 4.01Å; V275-M338 HydrophobicContact CG1-CG 3.86Å; V275-F343 HydrophobicContact CB-CE1 4.32Å; V275-F343 HydrophobicContact CG1-CE1 3.9Å; V275-F343 HydrophobicContact CG1-CZ 4.41Å; V275-I363 HydrophobicContact CB-CG2 3.85Å; V275-I363 HydrophobicContact CG1-CG2 4.25Å; V275-I363 HydrophobicContact CG2-CG2 3.67Å; V275-S366 PolarHBondContact O-N 2.93Å; V275-S366 PolarHBondContact O-OG 3.03Å |
| 276 | R | 90.1 | Very high | 92.9 | Very high | 168 Ų | 168 | 54 Ų | 54 | 63% | 0.634 | 32% | 0.324 | S | S | * | . | trans | -112.6 | 162.5 | 171.1 | -67.4 | 178 | -179.1 | -176.3 | 2.2 | 110.5 | G278 D279 S366 | R276-G278 PolarHBondContact O-N 2.96Å; R276-D279 PolarHBondContact N-OD2 3.12Å; R276-D279 WeakPolarHBondContact O-CB 3.37Å; R276-D279 PolarHBondContact O-N 2.83Å; R276-S366 WeakPolarHBondContact CG-OG 3.47Å | ||
| 277 | G | 89.9 | Confident | 93 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 131.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | M338 | G277-M338 CarbonylContact C-O 3.56Å; G277-M338 WeakPolarHBondContact CA-O 3.33Å |
| 278 | G | 89.9 | Confident | 92.7 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 38% | 0.381 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -13.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R276 N337 M338 | R276-G278 PolarHBondContact O-N 2.96Å; G278-N337 WeakPolarHBondContact CA-OD1 3.04Å; G278-M338 PolarHBondContact N-O 2.8Å |
| 279 | D | 92.4 | Very high | 92 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | trans | -73.2 | 155.5 | -179.5 | -69 | -14.6 | 0 | 0 | 0 | 112.2 | V275 R276 N337 M338 | V275-D279 HydrophobicContact CG1-CB 4.19Å; R276-D279 PolarHBondContact N-OD2 3.12Å; R276-D279 WeakPolarHBondContact O-CB 3.37Å; R276-D279 PolarHBondContact O-N 2.83Å; D279-N337 PolarHBondContact O-N 3.23Å; D279-M338 WeakPolarHBondContact O-CB 3.4Å; D279-M338 VanDerWaalsContact O-CG 3.29Å; D279-M338 WeakPolarHBondContact O-CG 3.33Å; D279-M338 PolarHBondContact O-N 2.94Å | ||
| 280 | N | 94.1 | Very high | 91.2 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | trans | -98.2 | 128.3 | 169.1 | -64 | -13.5 | 0 | 0 | 0 | 109 | V335 D336 N337 | N280-V335 WeakPolarHBondContact CA-O 3.15Å; N280-D336 WeakPolarHBondContact OD1-CA 3.18Å; N280-N337 PolarHBondContact OD1-N 3.18Å | ||
| 281 | V | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.6 | -172.8 | -176.3 | 0 | 0 | 0 | 0 | 111 | V275 V283 S334 V335 M338 I363 | V275-V281 HydrophobicContact CB-CG2 4.21Å; V275-V281 HydrophobicContact CG1-CG2 3.49Å; V275-V281 VanDerWaalsContact CG1-CG2 3.49Å; V275-V281 HydrophobicContact CG2-CG1 4.33Å; V275-V281 HydrophobicContact CG2-CG2 3.59Å; V281-V283 HydrophobicContact CG1-CG2 4.39Å; V281-S334 WeakPolarHBondContact O-CA 3.45Å; V281-V335 PolarHBondContact N-O 2.74Å; V281-V335 PolarHBondContact O-N 2.67Å; V281-M338 HydrophobicContact CB-CG 4.34Å; V281-M338 HydrophobicContact CG2-CG 3.59Å; V281-M338 HydrophobicContact CG2-SD 4.26Å; V281-I363 HydrophobicContact CG1-CD1 3.84Å |
| 282 | N | 96.6 | Very high | 89.7 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120 | 172.7 | -71.1 | -24.9 | 0 | 0 | 0 | 110.3 | A270 S271 I332 L333 S334 | A270-N282 CarbonylContact C-O 3.6Å; A270-N282 WeakPolarHBondContact CA-O 3.35Å; S271-N282 PolarHBondContact N-O 2.87Å; S271-N282 PolarHBondContact O-N 2.88Å; N282-I332 HydrophobicContact CB-CG2 4.17Å; N282-L333 CarbonylContact C-O 3.51Å; N282-L333 WeakPolarHBondContact CA-O 3.47Å; N282-S334 VanDerWaalsContact OD1-CB 3.22Å; N282-S334 WeakPolarHBondContact OD1-CB 3.33Å; N282-S334 PolarHBondContact OD1-OG 3.39Å |
| 283 | V | 96.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112 | 171.3 | -166.7 | 0 | 0 | 0 | 0 | 108.5 | L268 G269 A270 V281 W299 I332 L333 Y346 T361 I363 | L268-V283 HydrophobicContact CD1-CG1 3.84Å; L268-V283 HydrophobicContact CG-CG1 4.26Å; G269-V283 CarbonylContact O-C 3.57Å; G269-V283 WeakPolarHBondContact O-CA 3.4Å; A270-V283 HydrophobicContact CB-CG2 4.49Å; V281-V283 HydrophobicContact CG1-CG2 4.39Å; V283-W299 HydrophobicContact CB-CH2 4.13Å; V283-W299 HydrophobicContact CB-CZ3 4.27Å; V283-W299 HydrophobicContact CG1-CH2 3.75Å; V283-W299 HydrophobicContact CG1-CZ3 3.77Å; V283-I332 WeakPolarHBondContact O-CA 3.45Å; V283-L333 PolarHBondContact N-O 2.93Å; V283-L333 PolarHBondContact O-N 2.98Å; V283-Y346 HydrophobicContact CG2-CD1 3.78Å; V283-Y346 HydrophobicContact CG2-CE1 4.15Å; V283-Y346 HydrophobicContact CG2-CG 4.12Å; V283-T361 HydrophobicContact CG1-CG2 3.94Å; V283-I363 HydrophobicContact CG2-CD1 3.81Å |
| 284 | T | 97.7 | Very high | 89.4 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 117.8 | -176 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | L268 G269 I332 | L268-T284 WeakPolarHBondContact CA-O 3.37Å; G269-T284 PolarHBondContact N-O 3.03Å; G269-T284 PolarHBondContact O-N 3.13Å; T284-I332 HydrophobicContact CG2-CG1 4.08Å |
| 285 | C | 97.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.7 | 171.2 | -171.5 | 0 | 0 | 0 | 0 | 109 | V266 S267 L268 F297 W299 Q330 S331 C348 | V266-C285 WeakPolarHBondContact CG1-SG 3.48Å; S267-C285 CarbonylContact O-C 3.58Å; S267-C285 WeakPolarHBondContact O-CA 3.27Å; L268-C285 HydrophobicContact CD1-CB 3.76Å; C285-F297 HydrophobicContact CB-CD1 4.42Å; C285-F297 HydrophobicContact CB-CE1 4.33Å; C285-W299 HydrophobicContact CB-CH2 3.68Å; C285-W299 HydrophobicContact CB-CZ2 3.51Å; C285-Q330 CarbonylContact O-C 3.58Å; C285-Q330 VanDerWaalsContact O-CA 3.27Å; C285-Q330 WeakPolarHBondContact O-CA 3.36Å; C285-S331 PolarHBondContact N-O 2.81Å; C285-S331 PolarHBondContact O-N 3.47Å; C285-C348 HydrophobicContact CB-CB 3.67Å; C285-C348 WeakPolarHBondContact CB-SG 3.2Å; C285-C348 WeakPolarHBondContact SG-CB 3.4Å; C285-C348 CovalentContact SG-SG 2.03Å; C285-C348 PolarHBondContact SG-SG 2.92Å |
| 286 | T | 96.4 | Very high | 89.9 | Confident | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.8 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | V266 S267 V328 Q330 | V266-T286 WeakPolarHBondContact CA-O 3.33Å; S267-T286 PolarHBondContact N-O 3.45Å; S267-T286 PolarHBondContact O-N 3.04Å; T286-V328 HydrophobicContact CG2-CG1 3.84Å; T286-Q330 HydrophobicContact CG2-CG 3.93Å; T286-Q330 PolarHBondContact OG1-NE2 3.36Å |
| 287 | V | 94.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.6 | 179.2 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | P264 F265 V266 V295 F297 V328 S329 A350 | P264-V287 HydrophobicContact CB-CG1 3.53Å; F265-V287 WeakPolarHBondContact O-CA 3.05Å; V266-V287 HydrophobicContact CB-CG2 4.38Å; V266-V287 HydrophobicContact CG1-CG2 4.05Å; V266-V287 HydrophobicContact CG2-CG2 3.98Å; V287-V295 HydrophobicContact CB-CG1 4.43Å; V287-V295 HydrophobicContact CG1-CG1 4.19Å; V287-V295 HydrophobicContact CG1-CG2 3.87Å; V287-V295 HydrophobicContact CG2-CG1 4.22Å; V287-F297 HydrophobicContact CB-CE1 4.5Å; V287-F297 HydrophobicContact CB-CZ 4.13Å; V287-F297 HydrophobicContact CG2-CE1 3.58Å; V287-F297 HydrophobicContact CG2-CZ 3.68Å; V287-V328 WeakPolarHBondContact O-CA 3.48Å; V287-S329 PolarHBondContact N-O 2.03Å; V287-S329 PolarHBondContact O-N 2.82Å; V287-A350 HydrophobicContact CG2-CB 3.75Å |
| 288 | L | 89.2 | Confident | 90.5 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.7 | 169.3 | -57.7 | 179.1 | 0 | 0 | 0 | 108.4 | F265 T326 V328 | F265-L288 PolarHBondContact O-N 3.02Å; L288-T326 HydrophobicContact CB-CG2 4.37Å; L288-V328 HydrophobicContact CD2-CB 4.39Å; L288-V328 HydrophobicContact CD2-CG1 4.24Å; L288-V328 HydrophobicContact CD2-CG2 3.71Å |
| 289 | G | 80.2 | Confident | 90.8 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | -178.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T326 R327 | G289-T326 WeakPolarHBondContact O-CG2 3.31Å; G289-R327 PolarHBondContact N-O 2.99Å; G289-R327 PolarHBondContact O-N 2.78Å |
| 290 | E | 79.7 | Confident | 91 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | trans | -67.3 | 149.8 | 177.7 | -68 | -65.3 | 129.3 | 0 | 0 | 111.5 | E292 E293 R327 | E290-E292 VanDerWaalsContact C-N 3.26Å; E290-E292 PolarHBondContact O-N 3.5Å; E290-E293 HydrophobicContact CB-CB 4.19Å; E290-E293 HydrophobicContact CB-CG 4.03Å; E290-E293 PolarHBondContact O-N 2.68Å; E290-R327 WeakPolarHBondContact O-CB 3.43Å | ||
| 291 | P | 80 | Confident | 91.1 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -40.4 | -179.3 | -30.3 | 37.6 | 0 | 0 | 0 | 114.8 | L317 T325 | P291-L317 HydrophobicContact CB-CD2 3.91Å; P291-T325 WeakPolarHBondContact CD-O 3.47Å; P291-T325 HydrophobicContact CG-CG2 4.16Å; P291-T325 WeakPolarHBondContact CG-O 3.22Å |
| 292 | E | 76.3 | Confident | 91 | Very high | 190 Ų | 190 | 53.7 Ų | 53.7 | 89% | 0.888 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.7 | -172.6 | -61.9 | -179.6 | -175.3 | 0 | 0 | 113.1 | E290 | E290-E292 VanDerWaalsContact C-N 3.26Å; E290-E292 PolarHBondContact O-N 3.5Å |
| 293 | E | 81.2 | Confident | 90.6 | Very high | 46 Ų | 46 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | trans | -88.7 | 125 | 179.6 | -73.1 | -168.8 | -173.3 | 0 | 0 | 111.8 | E290 N352 N354 | E290-E293 HydrophobicContact CB-CB 4.19Å; E290-E293 HydrophobicContact CB-CG 4.03Å; E290-E293 PolarHBondContact O-N 2.68Å; E293-N352 PolarHBondContact OE2-ND2 3.27Å; E293-N354 PolarHBondContact OE1-ND2 3.43Å | ||
| 294 | D | 85.9 | Confident | 90.2 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | trans | -85.7 | 148.3 | 170.9 | -78.8 | -28.4 | 0 | 0 | 0 | 111.6 | R327 | D294-R327 IonicContact OD1-CZ 3.29Å; D294-R327 IonicContact OD1-NH1 2.79Å; D294-R327 PolarHBondContact OD1-NH1 2.96Å; D294-R327 IonicContact OD1-NH2 2.76Å; D294-R327 PolarHBondContact OD1-NH2 3.49Å | ||
| 295 | V | 91.8 | Very high | 89.6 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | trans | -121.6 | 131.6 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | V287 F297 A350 | V287-V295 HydrophobicContact CB-CG1 4.43Å; V287-V295 HydrophobicContact CG1-CG1 4.19Å; V287-V295 HydrophobicContact CG1-CG2 3.87Å; V287-V295 HydrophobicContact CG2-CG1 4.22Å; V295-F297 HydrophobicContact CB-CE2 4.25Å; V295-F297 HydrophobicContact CG1-CE2 4.01Å; V295-F297 HydrophobicContact CG1-CZ 4.02Å; V295-A350 HydrophobicContact CG1-CB 3.99Å | ||
| 296 | S | 94.2 | Very high | 89.2 | Confident | 63 Ų | 63 | 69.9 Ų | 69.9 | 44% | 0.441 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 136.8 | 174.4 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | A350 K351 | S296-A350 CarbonylContact O-C 3.53Å; S296-A350 WeakPolarHBondContact O-CA 3.27Å; S296-K351 PolarHBondContact N-O 2.87Å; S296-K351 PolarHBondContact O-N 2.91Å; S296-K351 WeakPolarHBondContact OG-CB 3.46Å; S296-K351 PolarHBondContact OG-O 3.33Å; S296-K351 VanDerWaalsContact OG-O 3.06Å |
| 297 | F | 96.1 | Very high | 88.7 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.4 | -179.3 | -66.3 | -90.1 | 0 | 0 | 0 | 111.1 | C285 V287 V295 M313 K349 A350 | C285-F297 HydrophobicContact CB-CD1 4.42Å; C285-F297 HydrophobicContact CB-CE1 4.33Å; V287-F297 HydrophobicContact CB-CE1 4.5Å; V287-F297 HydrophobicContact CB-CZ 4.13Å; V287-F297 HydrophobicContact CG2-CE1 3.58Å; V287-F297 HydrophobicContact CG2-CZ 3.68Å; V295-F297 HydrophobicContact CB-CE2 4.25Å; V295-F297 HydrophobicContact CG1-CE2 4.01Å; V295-F297 HydrophobicContact CG1-CZ 4.02Å; F297-M313 HydrophobicContact CD2-SD 4.36Å; F297-K349 CarbonylContact C-O 3.58Å; F297-K349 WeakPolarHBondContact CA-O 3.36Å; F297-A350 HydrophobicContact CD1-CB 4.24Å; F297-A350 HydrophobicContact CE1-CB 4.17Å |
| 298 | R | 96.4 | Very high | 88.4 | Confident | 179 Ų | 179 | 76.3 Ų | 76.3 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.9 | 169.8 | -64.6 | 175.8 | 64.5 | -172.8 | 2.2 | 109.9 | K349 | R298-K349 HydrophobicContact CB-CB 4.26Å; R298-K349 PolarHBondContact N-O 3.23Å; R298-K349 PolarHBondContact O-N 2.88Å |
| 299 | W | 96.4 | Very high | 88.5 | Confident | 27 Ų | 27 | 75.2 Ų | 75.2 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.4 | -179.7 | -71.3 | 96.2 | 0 | 0 | 0 | 111.7 | L268 V283 C285 Y301 I311 S331 L333 I347 C348 | L268-W299 HydrophobicContact CD1-CH2 3.59Å; L268-W299 HydrophobicContact CD1-CZ3 3.9Å; V283-W299 HydrophobicContact CB-CH2 4.13Å; V283-W299 HydrophobicContact CB-CZ3 4.27Å; V283-W299 HydrophobicContact CG1-CH2 3.75Å; V283-W299 HydrophobicContact CG1-CZ3 3.77Å; C285-W299 HydrophobicContact CB-CH2 3.68Å; C285-W299 HydrophobicContact CB-CZ2 3.51Å; W299-Y301 HydrophobicContact CB-CD1 4.13Å; W299-Y301 HydrophobicContact CB-CE1 4.49Å; W299-I311 HydrophobicContact CG-CD1 4.47Å; W299-S331 WeakPolarHBondContact CZ2-O 3.14Å; W299-S331 PolarHBondContact NE1-OG 2.78Å; W299-L333 HydrophobicContact CB-CD1 3.87Å; W299-L333 HydrophobicContact CD2-CB 4.13Å; W299-L333 HydrophobicContact CD2-CD1 3.76Å; W299-L333 HydrophobicContact CE3-CB 4.41Å; W299-L333 HydrophobicContact CE3-CD1 3.93Å; W299-L333 HydrophobicContact CG-CD1 3.75Å; W299-L333 HydrophobicContact CH2-CB 4.34Å; W299-L333 HydrophobicContact CZ2-CB 4.09Å; W299-I347 WeakPolarHBondContact CA-O 2.98Å; W299-C348 HydrophobicContact CD2-CB 4.45Å; W299-C348 HydrophobicContact CE3-CB 4.08Å; W299-C348 HydrophobicContact CH2-CB 3.88Å; W299-C348 HydrophobicContact CZ2-CB 4.22Å; W299-C348 HydrophobicContact CZ3-CB 3.78Å |
| 300 | S | 96.3 | Very high | 89.2 | Confident | 53 Ų | 53 | 79.4 Ų | 79.4 | 37% | 0.371 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126 | 162.5 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | I347 | S300-I347 PolarHBondContact N-O 2.93Å; S300-I347 PolarHBondContact O-N 3.45Å |
| 301 | Y | 95.1 | Very high | 90 | Very high | 33 Ų | 33 | 78.9 Ų | 78.9 | 13% | 0.129 | 39% | 0.394 | C | S | . | . | trans | -145.9 | 161.7 | -173.7 | 56.6 | -85.4 | 0 | 0 | 0 | 111.7 | W299 Q304 V309 L333 | W299-Y301 HydrophobicContact CB-CD1 4.13Å; W299-Y301 HydrophobicContact CB-CE1 4.49Å; Y301-Q304 HydrophobicContact CD2-CB 4.37Å; Y301-Q304 HydrophobicContact CE1-CB 4.45Å; Y301-Q304 HydrophobicContact CE1-CG 4.1Å; Y301-Q304 HydrophobicContact CE2-CB 4.03Å; Y301-Q304 HydrophobicContact CE2-CG 4.38Å; Y301-Q304 WeakPolarHBondContact O-CB 3.34Å; Y301-V309 HydrophobicContact CD2-CG1 4.14Å; Y301-V309 HydrophobicContact CE1-CG2 4.02Å; Y301-V309 HydrophobicContact CE2-CB 4.45Å; Y301-V309 HydrophobicContact CE2-CG1 3.53Å; Y301-V309 HydrophobicContact CE2-CG2 4.04Å; Y301-V309 VanDerWaalsContact OH-CG2 3.24Å; Y301-V309 WeakPolarHBondContact OH-CG2 3.29Å; Y301-L333 HydrophobicContact CD1-CD1 3.55Å; Y301-L333 HydrophobicContact CE1-CD1 3.96Å; Y301-L333 HydrophobicContact CG-CD1 4.01Å | ||
| 302 | P | 93.6 | Very high | 90.7 | Very high | 24 Ų | 24 | 80.4 Ų | 80.4 | 16% | 0.156 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 144.7 | 176.9 | -18.9 | 34.3 | 0 | 0 | 0 | 111.2 | Q304 I341 N345 Y346 | P302-Q304 PolarHBondContact O-N 2.83Å; P302-I341 CarbonylContact C-O 3.59Å; P302-I341 WeakPolarHBondContact CB-O 3.4Å; P302-N345 WeakPolarHBondContact CD-O 3.48Å; P302-Y346 HydrophobicContact CG-CD2 4.49Å; P302-Y346 HydrophobicContact CG-CE2 4.05Å |
| 303 | G | 86.9 | Confident | 91.5 | Very high | 14 Ų | 14 | 77.7 Ų | 77.7 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 12.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D305 R306 R307 I341 | G303-D305 PolarHBondContact O-N 2.85Å; G303-R306 WeakPolarHBondContact O-CA 3.43Å; G303-R306 WeakPolarHBondContact O-CB 3.39Å; G303-R306 PolarHBondContact O-N 2.79Å; G303-R307 PolarHBondContact O-N 3.16Å; G303-I341 PolarHBondContact N-O 3.11Å |
| 304 | Q | 88.3 | Confident | 92.2 | Very high | 74 Ų | 74 | 77.1 Ų | 77.1 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 138.1 | 175.1 | -169.6 | 147.8 | -9.8 | 0 | 0 | 111.6 | Y301 P302 R306 | Y301-Q304 HydrophobicContact CD2-CB 4.37Å; Y301-Q304 HydrophobicContact CE1-CB 4.45Å; Y301-Q304 HydrophobicContact CE1-CG 4.1Å; Y301-Q304 HydrophobicContact CE2-CB 4.03Å; Y301-Q304 HydrophobicContact CE2-CG 4.38Å; Y301-Q304 WeakPolarHBondContact O-CB 3.34Å; P302-Q304 PolarHBondContact O-N 2.83Å; Q304-R306 PolarHBondContact O-N 3.28Å |
| 305 | D | 86.6 | Confident | 92.5 | Very high | 155 Ų | 155 | 78.5 Ų | 78.5 | 83% | 0.829 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -1.6 | -173 | -49.5 | -42.8 | 0 | 0 | 0 | 115.7 | G303 | G303-D305 PolarHBondContact O-N 2.85Š|
| 306 | R | 87.6 | Confident | 92.4 | Very high | 202 Ų | 202 | 84 Ų | 84 | 76% | 0.762 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -24.4 | 178.2 | -60.7 | 179.6 | 176.3 | -171.9 | -0.7 | 113 | G303 Q304 I341 | G303-R306 WeakPolarHBondContact O-CA 3.43Å; G303-R306 WeakPolarHBondContact O-CB 3.39Å; G303-R306 PolarHBondContact O-N 2.79Å; Q304-R306 PolarHBondContact O-N 3.28Å; R306-I341 HydrophobicContact CB-CD1 4.3Å |
| 307 | R | 87.3 | Confident | 92.2 | Very high | 42 Ų | 42 | 85.3 Ų | 85.3 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -128.3 | 133.2 | -178.2 | -66.3 | -88.5 | -74.6 | 161.8 | 5.7 | 109.4 | G303 D336 N337 Q339 I341 D342 | G303-R307 PolarHBondContact O-N 3.16Å; R307-D336 PolarHBondContact NH2-O 2.49Å; R307-N337 PolarHBondContact NH2-O 3.28Å; R307-Q339 VanDerWaalsContact CZ-CD 3.49Å; R307-I341 HydrophobicContact CG-CG2 3.85Å; R307-D342 WeakPolarHBondContact CG-OD1 3.42Å; R307-D342 IonicContact CZ-OD1 3.73Å; R307-D342 IonicContact CZ-OD2 3.81Å; R307-D342 VanDerWaalsContact CZ-OD2 3.26Å; R307-D342 IonicContact NE-OD1 3.26Å; R307-D342 PolarHBondContact NE-OD1 3.46Å; R307-D342 VanDerWaalsContact NE-OD1 3.07Å; R307-D342 IonicContact NE-OD2 2.87Å; R307-D342 PolarHBondContact NE-OD2 2.85Å; R307-D342 VanDerWaalsContact NE-OD2 3.11Å; R307-D342 IonicContact NH2-OD1 3.52Å; R307-D342 IonicContact NH2-OD2 2.92Å; R307-D342 PolarHBondContact NH2-OD2 3.31Å |
| 308 | P | 87.4 | Confident | 91.6 | Very high | 118 Ų | 118 | 85.4 Ų | 85.4 | 77% | 0.766 | 41% | 0.405 | S | S | * | . | trans | -70.8 | 138.6 | 173.9 | 29.8 | -32.9 | 0 | 0 | 0 | 110.2 | ||||
| 309 | V | 92.3 | Very high | 90.9 | Very high | 38 Ų | 38 | 83 Ų | 83 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | trans | -128.8 | 152.3 | 171.8 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | Y301 I311 L333 V335 | Y301-V309 HydrophobicContact CD2-CG1 4.14Å; Y301-V309 HydrophobicContact CE1-CG2 4.02Å; Y301-V309 HydrophobicContact CE2-CB 4.45Å; Y301-V309 HydrophobicContact CE2-CG1 3.53Å; Y301-V309 HydrophobicContact CE2-CG2 4.04Å; Y301-V309 VanDerWaalsContact OH-CG2 3.24Å; Y301-V309 WeakPolarHBondContact OH-CG2 3.29Å; V309-I311 HydrophobicContact CG2-CD1 4.27Å; V309-I311 HydrophobicContact CG2-CG1 4.16Å; V309-L333 HydrophobicContact CB-CD2 4.46Å; V309-L333 HydrophobicContact CB-CG 4.45Å; V309-L333 HydrophobicContact CG1-CD2 4.43Å; V309-L333 HydrophobicContact CG2-CG 4.47Å; V309-V335 HydrophobicContact CG1-CG2 4.01Å | ||
| 310 | H | 94.1 | Very high | 89.8 | Confident | 112 Ų | 112 | 88.7 Ų | 88.7 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.8 | 171.8 | -171.1 | 67.6 | 0 | 0 | 0 | 109.9 | L333 S334 | H310-L333 CarbonylContact O-C 3.59Å; H310-L333 WeakPolarHBondContact O-CA 3.45Å; H310-S334 PolarHBondContact N-O 3.19Å; H310-S334 PolarHBondContact O-N 3.12Å |
| 311 | I | 95.4 | Very high | 88 | Confident | 76 Ų | 76 | 88.4 Ų | 88.4 | 39% | 0.39 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.3 | 176.6 | -58.2 | 173.8 | 0 | 0 | 0 | 108.7 | W299 V309 I332 L333 | W299-I311 HydrophobicContact CG-CD1 4.47Å; V309-I311 HydrophobicContact CG2-CD1 4.27Å; V309-I311 HydrophobicContact CG2-CG1 4.16Å; I311-I332 CarbonylContact C-O 3.56Å; I311-I332 WeakPolarHBondContact CA-O 3.46Å; I311-L333 HydrophobicContact CD1-CD1 4.38Å; I311-L333 HydrophobicContact CG1-CB 4.44Å; I311-L333 HydrophobicContact CG1-CD1 4.4Å; I311-L333 HydrophobicContact CG1-CG 4.24Å |
| 312 | Q | 95.4 | Very high | 86.1 | Confident | 74 Ų | 74 | 96 Ų | 96 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.8 | 176 | -170.6 | 175 | 3.6 | 0 | 0 | 110.2 | L314 S331 I332 | Q312-L314 HydrophobicContact CG-CD1 4.26Å; Q312-L314 HydrophobicContact CG-CG 4.24Å; Q312-S331 CarbonylContact O-C 3.48Å; Q312-S331 VanDerWaalsContact O-CA 3.31Å; Q312-S331 WeakPolarHBondContact O-CA 3.47Å; Q312-I332 PolarHBondContact N-O 3.42Å; Q312-I332 PolarHBondContact O-N 2.63Å |
| 313 | M | 94.3 | Very high | 84.3 | Confident | 132 Ų | 132 | 98.7 Ų | 98.7 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134 | 172.3 | -66.5 | -177.2 | -72 | 0 | 0 | 109.7 | F297 Q330 | F297-M313 HydrophobicContact CD2-SD 4.36Å; M313-Q330 CarbonylContact C-O 3.56Å; M313-Q330 WeakPolarHBondContact CA-O 3.43Å |
| 314 | L | 94.1 | Very high | 83.2 | Confident | 34 Ų | 34 | 104.4 Ų | 104.4 | 18% | 0.178 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.1 | -178.1 | -69.3 | 151.2 | 0 | 0 | 0 | 108.5 | Q312 Q330 I332 | Q312-L314 HydrophobicContact CG-CD1 4.26Å; Q312-L314 HydrophobicContact CG-CG 4.24Å; L314-Q330 PolarHBondContact N-O 3.41Å; L314-Q330 PolarHBondContact O-N 2.84Å; L314-I332 HydrophobicContact CD1-CD1 3.87Å |
| 315 | W | 92.7 | Very high | 82.7 | Confident | 145 Ų | 145 | 103 Ų | 103 | 55% | 0.549 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.4 | 169.3 | 67.4 | -87.6 | 0 | 0 | 0 | 110.6 | L317 R327 V328 | W315-L317 HydrophobicContact CZ3-CD1 4.44Å; W315-L317 HydrophobicContact CZ3-CG 3.98Å; W315-R327 HydrophobicContact CE3-CG 4.39Å; W315-V328 CarbonylContact C-O 3.59Å; W315-V328 WeakPolarHBondContact CA-O 3.47Å |
| 316 | R | 91 | Very high | 82.5 | Confident | 140 Ų | 140 | 96.7 Ų | 96.7 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 151.4 | 173.9 | 62.9 | -176.1 | -176.9 | 107.7 | 0.8 | 111 | V318 V328 | R316-V318 HydrophobicContact CG-CG2 4.05Å; R316-V328 HydrophobicContact CG-CB 4.1Å; R316-V328 PolarHBondContact N-O 3.36Å; R316-V328 PolarHBondContact O-N 2.86Å |
| 317 | L | 88.8 | Confident | 82.6 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.6 | 167.5 | -65.4 | 173.3 | 0 | 0 | 0 | 109.3 | P291 W315 T325 R327 | P291-L317 HydrophobicContact CB-CD2 3.91Å; W315-L317 HydrophobicContact CZ3-CD1 4.44Å; W315-L317 HydrophobicContact CZ3-CG 3.98Å; L317-T325 HydrophobicContact CB-CG2 3.73Å; L317-T325 HydrophobicContact CD1-CG2 4.37Å; L317-T325 HydrophobicContact CD2-CG2 3.95Å; L317-T325 HydrophobicContact CG-CG2 4.19Å; L317-R327 HydrophobicContact CD2-CB 4Å; L317-R327 HydrophobicContact CD2-CG 4.31Å |
| 318 | V | 84.4 | Confident | 82.8 | Confident | 32 Ų | 32 | 86.9 Ų | 86.9 | 19% | 0.194 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.7 | 180 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | R316 T326 V328 | R316-V318 HydrophobicContact CG-CG2 4.05Å; V318-T326 PolarHBondContact N-O 3.21Å; V318-T326 PolarHBondContact O-N 3.4Å; V318-V328 HydrophobicContact CB-CG2 4.38Å; V318-V328 HydrophobicContact CG2-CB 4.42Å; V318-V328 HydrophobicContact CG2-CG2 3.57Å |
| 319 | N | 80.9 | Confident | 83.2 | Confident | 127 Ų | 127 | 81.5 Ų | 81.5 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.5 | 171.5 | -74.5 | -25.6 | 0 | 0 | 0 | 109 | T325 | N319-T325 PolarHBondContact OD1-OG1 2.78Å; N319-T325 VanDerWaalsContact OD1-OG1 3.05Å |
| 320 | R | 74.2 | Confident | 83.4 | Confident | 147 Ų | 147 | 82.5 Ų | 82.5 | 56% | 0.555 | 42% | 0.42 | S | S | * | . | trans | -103.3 | 13.2 | 179 | -71.2 | -166.3 | 168.8 | 150.5 | -4.9 | 113.9 | H324 T326 | R320-H324 PolarHBondContact N-O 2.87Å; R320-T326 PolarHBondContact NH1-OG1 2.66Å | ||
| 321 | G | 56.9 | Low | 83.5 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 49% | 0.485 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 85.8 | 167.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | G323 H324 | G321-G323 PolarHBondContact O-N 2.89Å; G321-G323 VanDerWaalsContact O-N 3.12Å; G321-H324 PolarHBondContact O-N 2.91Å; G321-H324 VanDerWaalsContact O-N 3.08Å |
| 322 | M | 55.1 | Low | 83.6 | Confident | 194 Ų | 194 | 75 Ų | 75 | 96% | 0.956 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 28 | -177.1 | -62.5 | -177.5 | -176.2 | 0 | 0 | 115.3 | H324 | M322-H324 PolarHBondContact O-N 3.08Š|
| 323 | G | 57.1 | Low | 83.7 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 81% | 0.814 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 5.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G321 | G321-G323 PolarHBondContact O-N 2.89Å; G321-G323 VanDerWaalsContact O-N 3.12Å |
| 324 | H | 64.6 | Low | 83.8 | Confident | 135 Ų | 135 | 66.1 Ų | 66.1 | 63% | 0.625 | 34% | 0.344 | S | S | * | . | trans | -84.3 | 117.5 | 173.5 | -78.6 | -87.5 | 0 | 0 | 0 | 110.9 | R320 G321 M322 | R320-H324 PolarHBondContact N-O 2.87Å; G321-H324 PolarHBondContact O-N 2.91Å; G321-H324 VanDerWaalsContact O-N 3.08Å; M322-H324 PolarHBondContact O-N 3.08Å | ||
| 325 | T | 77.4 | Confident | 83.8 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 27% | 0.27 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.8 | 171.4 | -52.2 | 0 | 0 | 0 | 0 | 108.4 | P291 L317 N319 | P291-T325 WeakPolarHBondContact CD-O 3.47Å; P291-T325 HydrophobicContact CG-CG2 4.16Å; P291-T325 WeakPolarHBondContact CG-O 3.22Å; L317-T325 HydrophobicContact CB-CG2 3.73Å; L317-T325 HydrophobicContact CD1-CG2 4.37Å; L317-T325 HydrophobicContact CD2-CG2 3.95Å; L317-T325 HydrophobicContact CG-CG2 4.19Å; N319-T325 PolarHBondContact OD1-OG1 2.78Å; N319-T325 VanDerWaalsContact OD1-OG1 3.05Å |
| 326 | T | 82.4 | Confident | 83.9 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.1 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | L288 G289 V318 R320 | L288-T326 HydrophobicContact CB-CG2 4.37Å; G289-T326 WeakPolarHBondContact O-CG2 3.31Å; V318-T326 PolarHBondContact N-O 3.21Å; V318-T326 PolarHBondContact O-N 3.4Å; R320-T326 PolarHBondContact NH1-OG1 2.66Å |
| 327 | R | 88.3 | Confident | 83.9 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.3 | 169.4 | -171.2 | 172.3 | 178.7 | 157.7 | -10.4 | 110 | G289 E290 D294 W315 L317 S329 | G289-R327 PolarHBondContact N-O 2.99Å; G289-R327 PolarHBondContact O-N 2.78Å; E290-R327 WeakPolarHBondContact O-CB 3.43Å; D294-R327 IonicContact OD1-CZ 3.29Å; D294-R327 IonicContact OD1-NH1 2.79Å; D294-R327 PolarHBondContact OD1-NH1 2.96Å; D294-R327 IonicContact OD1-NH2 2.76Å; D294-R327 PolarHBondContact OD1-NH2 3.49Å; W315-R327 HydrophobicContact CE3-CG 4.39Å; L317-R327 HydrophobicContact CD2-CB 4Å; L317-R327 HydrophobicContact CD2-CG 4.31Å; R327-S329 PolarHBondContact NE-OG 2.86Å |
| 328 | V | 92.6 | Very high | 84.1 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.7 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | T286 V287 L288 W315 R316 V318 Q330 | T286-V328 HydrophobicContact CG2-CG1 3.84Å; V287-V328 WeakPolarHBondContact O-CA 3.48Å; L288-V328 HydrophobicContact CD2-CB 4.39Å; L288-V328 HydrophobicContact CD2-CG1 4.24Å; L288-V328 HydrophobicContact CD2-CG2 3.71Å; W315-V328 CarbonylContact C-O 3.59Å; W315-V328 WeakPolarHBondContact CA-O 3.47Å; R316-V328 HydrophobicContact CG-CB 4.1Å; R316-V328 PolarHBondContact N-O 3.36Å; R316-V328 PolarHBondContact O-N 2.86Å; V318-V328 HydrophobicContact CB-CG2 4.38Å; V318-V328 HydrophobicContact CG2-CB 4.42Å; V318-V328 HydrophobicContact CG2-CG2 3.57Å; V328-Q330 HydrophobicContact CG1-CG 4.36Å |
| 329 | S | 95.2 | Very high | 84.4 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.3 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | V287 R327 | V287-S329 PolarHBondContact N-O 2.03Å; V287-S329 PolarHBondContact O-N 2.82Å; R327-S329 PolarHBondContact NE-OG 2.86Å |
| 330 | Q | 95.9 | Very high | 84.9 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.2 | -177.2 | -65 | -175.2 | -62.6 | 0 | 0 | 110.8 | C285 T286 M313 L314 V328 | C285-Q330 CarbonylContact O-C 3.58Å; C285-Q330 VanDerWaalsContact O-CA 3.27Å; C285-Q330 WeakPolarHBondContact O-CA 3.36Å; T286-Q330 HydrophobicContact CG2-CG 3.93Å; T286-Q330 PolarHBondContact OG1-NE2 3.36Å; M313-Q330 CarbonylContact C-O 3.56Å; M313-Q330 WeakPolarHBondContact CA-O 3.43Å; L314-Q330 PolarHBondContact N-O 3.41Å; L314-Q330 PolarHBondContact O-N 2.84Å; V328-Q330 HydrophobicContact CG1-CG 4.36Å |
| 331 | S | 97.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.5 | 164 | -175 | 0 | 0 | 0 | 0 | 108.8 | C285 W299 Q312 | C285-S331 PolarHBondContact N-O 2.81Å; C285-S331 PolarHBondContact O-N 3.47Å; W299-S331 WeakPolarHBondContact CZ2-O 3.14Å; W299-S331 PolarHBondContact NE1-OG 2.78Å; Q312-S331 CarbonylContact O-C 3.48Å; Q312-S331 VanDerWaalsContact O-CA 3.31Å; Q312-S331 WeakPolarHBondContact O-CA 3.47Å |
| 332 | I | 97.5 | Very high | 87.4 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.2 | -178.2 | -54 | 172.5 | 0 | 0 | 0 | 107.2 | N282 V283 T284 I311 Q312 L314 | N282-I332 HydrophobicContact CB-CG2 4.17Å; V283-I332 WeakPolarHBondContact O-CA 3.45Å; T284-I332 HydrophobicContact CG2-CG1 4.08Å; I311-I332 CarbonylContact C-O 3.56Å; I311-I332 WeakPolarHBondContact CA-O 3.46Å; Q312-I332 PolarHBondContact N-O 3.42Å; Q312-I332 PolarHBondContact O-N 2.63Å; L314-I332 HydrophobicContact CD1-CD1 3.87Å |
| 333 | L | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.1 | 171.4 | -177.1 | 156.1 | 0 | 0 | 0 | 108.4 | N282 V283 W299 Y301 V309 H310 I311 V335 Y346 | N282-L333 CarbonylContact C-O 3.51Å; N282-L333 WeakPolarHBondContact CA-O 3.47Å; V283-L333 PolarHBondContact N-O 2.93Å; V283-L333 PolarHBondContact O-N 2.98Å; W299-L333 HydrophobicContact CB-CD1 3.87Å; W299-L333 HydrophobicContact CD2-CB 4.13Å; W299-L333 HydrophobicContact CD2-CD1 3.76Å; W299-L333 HydrophobicContact CE3-CB 4.41Å; W299-L333 HydrophobicContact CE3-CD1 3.93Å; W299-L333 HydrophobicContact CG-CD1 3.75Å; W299-L333 HydrophobicContact CH2-CB 4.34Å; W299-L333 HydrophobicContact CZ2-CB 4.09Å; Y301-L333 HydrophobicContact CD1-CD1 3.55Å; Y301-L333 HydrophobicContact CE1-CD1 3.96Å; Y301-L333 HydrophobicContact CG-CD1 4.01Å; V309-L333 HydrophobicContact CB-CD2 4.46Å; V309-L333 HydrophobicContact CB-CG 4.45Å; V309-L333 HydrophobicContact CG1-CD2 4.43Å; V309-L333 HydrophobicContact CG2-CG 4.47Å; H310-L333 CarbonylContact O-C 3.59Å; H310-L333 WeakPolarHBondContact O-CA 3.45Å; I311-L333 HydrophobicContact CD1-CD1 4.38Å; I311-L333 HydrophobicContact CG1-CB 4.44Å; I311-L333 HydrophobicContact CG1-CD1 4.4Å; I311-L333 HydrophobicContact CG1-CG 4.24Å; L333-V335 HydrophobicContact CD2-CG2 3.41Å; L333-V335 VanDerWaalsContact CD2-CG2 3.41Å; L333-Y346 HydrophobicContact CD2-CD1 4.17Å; L333-Y346 HydrophobicContact CD2-CE1 3.93Å |
| 334 | S | 96.3 | Very high | 91 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.2 | 179 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | V281 N282 H310 | V281-S334 WeakPolarHBondContact O-CA 3.45Å; N282-S334 VanDerWaalsContact OD1-CB 3.22Å; N282-S334 WeakPolarHBondContact OD1-CB 3.33Å; N282-S334 PolarHBondContact OD1-OG 3.39Å; H310-S334 PolarHBondContact N-O 3.19Å; H310-S334 PolarHBondContact O-N 3.12Å |
| 335 | V | 94.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.9 | 172.6 | -170.3 | 0 | 0 | 0 | 0 | 108 | N280 V281 V309 L333 M338 D342 Y346 | N280-V335 WeakPolarHBondContact CA-O 3.15Å; V281-V335 PolarHBondContact N-O 2.74Å; V281-V335 PolarHBondContact O-N 2.67Å; V309-V335 HydrophobicContact CG1-CG2 4.01Å; L333-V335 HydrophobicContact CD2-CG2 3.41Å; L333-V335 VanDerWaalsContact CD2-CG2 3.41Å; V335-M338 HydrophobicContact CB-SD 3.97Å; V335-M338 HydrophobicContact CG1-SD 3.64Å; V335-D342 HydrophobicContact CG1-CB 4.3Å; V335-Y346 HydrophobicContact CG2-CE1 4Å |
| 336 | D | 93.6 | Very high | 93.4 | Very high | 97 Ų | 97 | 37.9 Ų | 37.9 | 52% | 0.519 | 21% | 0.205 | S | C | . | . | trans | -92.4 | 144 | 177.7 | -63.4 | -42.7 | 0 | 0 | 0 | 110.8 | N280 R307 | N280-D336 WeakPolarHBondContact OD1-CA 3.18Å; R307-D336 PolarHBondContact NH2-O 2.49Å | ||
| 337 | N | 92.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 47% | 0.471 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 51.4 | 66.4 | 175.6 | -178.4 | 20.4 | 0 | 0 | 0 | 112.1 | G278 D279 N280 R307 Q339 | G278-N337 WeakPolarHBondContact CA-OD1 3.04Å; D279-N337 PolarHBondContact O-N 3.23Å; N280-N337 PolarHBondContact OD1-N 3.18Å; R307-N337 PolarHBondContact NH2-O 3.28Å; N337-Q339 PolarHBondContact O-N 3.14Å |
| 338 | M | 91.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -50.8 | 129.4 | -175.5 | -81 | -71.3 | -82.4 | 0 | 0 | 112.8 | V275 G277 G278 D279 V281 V335 D342 F343 I363 | V275-M338 HydrophobicContact CG1-CB 4.22Å; V275-M338 HydrophobicContact CG1-CE 4.01Å; V275-M338 HydrophobicContact CG1-CG 3.86Å; G277-M338 CarbonylContact C-O 3.56Å; G277-M338 WeakPolarHBondContact CA-O 3.33Å; G278-M338 PolarHBondContact N-O 2.8Å; D279-M338 WeakPolarHBondContact O-CB 3.4Å; D279-M338 VanDerWaalsContact O-CG 3.29Å; D279-M338 WeakPolarHBondContact O-CG 3.33Å; D279-M338 PolarHBondContact O-N 2.94Å; V281-M338 HydrophobicContact CB-CG 4.34Å; V281-M338 HydrophobicContact CG2-CG 3.59Å; V281-M338 HydrophobicContact CG2-SD 4.26Å; V335-M338 HydrophobicContact CB-SD 3.97Å; V335-M338 HydrophobicContact CG1-SD 3.64Å; M338-D342 HydrophobicContact CE-CB 3.85Å; M338-D342 HydrophobicContact SD-CB 3.47Å; M338-D342 WeakPolarHBondContact SD-CB 2.99Å; M338-F343 HydrophobicContact CB-CZ 4.49Å; M338-F343 HydrophobicContact CE-CD1 3.95Å; M338-F343 HydrophobicContact CE-CE1 3.93Å; M338-F343 HydrophobicContact CE-CG 4.45Å; M338-F343 HydrophobicContact CE-CZ 4.42Å; M338-I363 HydrophobicContact CE-CG2 3.98Å | ||
| 339 | Q | 91.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 40.4 Ų | 40.4 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | trans | -116.7 | 170 | 177.4 | -69.6 | -174.5 | 1.3 | 0 | 0 | 111.5 | R307 N337 I341 D342 F343 | R307-Q339 VanDerWaalsContact CZ-CD 3.49Å; N337-Q339 PolarHBondContact O-N 3.14Å; Q339-I341 HydrophobicContact CB-CG2 4.22Å; Q339-I341 PolarHBondContact O-N 2.68Å; Q339-I341 VanDerWaalsContact O-N 3.08Å; Q339-D342 PolarHBondContact N-OD2 2.79Å; Q339-D342 WeakPolarHBondContact O-CB 3.44Å; Q339-D342 PolarHBondContact O-N 3.36Å; Q339-F343 WeakPolarHBondContact O-CD2 3.43Å; Q339-F343 WeakPolarHBondContact O-CE2 3.44Å | ||
| 340 | T | 90.8 | Very high | 94.8 | Very high | 134 Ų | 134 | 40.1 Ų | 40.1 | 82% | 0.822 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -55.4 | -31.5 | -179.3 | -23.2 | 0 | 0 | 0 | 0 | 113 | D342 | T340-D342 VanDerWaalsContact C-N 3.33Š|
| 341 | I | 92.3 | Very high | 94.7 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -74.1 | -20.2 | 178.4 | -166.9 | 168.7 | 0 | 0 | 0 | 113.7 | P302 G303 R306 R307 Q339 | P302-I341 CarbonylContact C-O 3.59Å; P302-I341 WeakPolarHBondContact CB-O 3.4Å; G303-I341 PolarHBondContact N-O 3.11Å; R306-I341 HydrophobicContact CB-CD1 4.3Å; R307-I341 HydrophobicContact CG-CG2 3.85Å; Q339-I341 HydrophobicContact CB-CG2 4.22Å; Q339-I341 PolarHBondContact O-N 2.68Å; Q339-I341 VanDerWaalsContact O-N 3.08Å |
| 342 | D | 92.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -89.4 | -12.7 | -175.3 | -52.9 | -41.6 | 0 | 0 | 0 | 112.3 | R307 V335 M338 Q339 T340 Y346 | R307-D342 WeakPolarHBondContact CG-OD1 3.42Å; R307-D342 IonicContact CZ-OD1 3.73Å; R307-D342 IonicContact CZ-OD2 3.81Å; R307-D342 VanDerWaalsContact CZ-OD2 3.26Å; R307-D342 IonicContact NE-OD1 3.26Å; R307-D342 PolarHBondContact NE-OD1 3.46Å; R307-D342 VanDerWaalsContact NE-OD1 3.07Å; R307-D342 IonicContact NE-OD2 2.87Å; R307-D342 PolarHBondContact NE-OD2 2.85Å; R307-D342 VanDerWaalsContact NE-OD2 3.11Å; R307-D342 IonicContact NH2-OD1 3.52Å; R307-D342 IonicContact NH2-OD2 2.92Å; R307-D342 PolarHBondContact NH2-OD2 3.31Å; V335-D342 HydrophobicContact CG1-CB 4.3Å; M338-D342 HydrophobicContact CE-CB 3.85Å; M338-D342 HydrophobicContact SD-CB 3.47Å; M338-D342 WeakPolarHBondContact SD-CB 2.99Å; Q339-D342 PolarHBondContact N-OD2 2.79Å; Q339-D342 WeakPolarHBondContact O-CB 3.44Å; Q339-D342 PolarHBondContact O-N 3.36Å; T340-D342 VanDerWaalsContact C-N 3.33Å; D342-Y346 VanDerWaalsContact O-CE2 3.31Å; D342-Y346 WeakPolarHBondContact O-CE2 3.38Å; D342-Y346 PolarHBondContact O-OH 3.09Å |
| 343 | F | 93.5 | Very high | 93.7 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 18% | 0.18 | 26% | 0.255 | C | S | . | . | trans | -76.1 | 136.3 | 175.7 | -64.4 | -76.2 | 0 | 0 | 0 | 111.2 | V275 M338 Q339 I363 A364 S365 | V275-F343 HydrophobicContact CB-CE1 4.32Å; V275-F343 HydrophobicContact CG1-CE1 3.9Å; V275-F343 HydrophobicContact CG1-CZ 4.41Å; M338-F343 HydrophobicContact CB-CZ 4.49Å; M338-F343 HydrophobicContact CE-CD1 3.95Å; M338-F343 HydrophobicContact CE-CE1 3.93Å; M338-F343 HydrophobicContact CE-CG 4.45Å; M338-F343 HydrophobicContact CE-CZ 4.42Å; Q339-F343 WeakPolarHBondContact O-CD2 3.43Å; Q339-F343 WeakPolarHBondContact O-CE2 3.44Å; F343-I363 HydrophobicContact CD1-CG2 4.2Å; F343-I363 HydrophobicContact CE1-CG2 4.49Å; F343-A364 VanDerWaalsContact CD1-C 3.47Å; F343-S365 VanDerWaalsContact CD1-N 3.26Å; F343-S365 VanDerWaalsContact CE1-CA 3.45Å | ||
| 344 | G | 93.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.5 | -153.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K362 I363 | G344-K362 WeakPolarHBondContact O-CA 3.24Å; G344-I363 PolarHBondContact N-O 3.09Å; G344-I363 PolarHBondContact O-N 3.49Å |
| 345 | N | 95.9 | Very high | 92.9 | Very high | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.9 | -174.6 | -66.7 | -22.9 | 0 | 0 | 0 | 111 | P302 T360 T361 K362 | P302-N345 WeakPolarHBondContact CD-O 3.48Å; N345-T360 HydrophobicContact CB-CG2 3.86Å; N345-T361 WeakPolarHBondContact CA-O 3.38Å; N345-K362 WeakPolarHBondContact OD1-CG 3.07Å |
| 346 | Y | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.4 | 171.6 | -70.8 | -105.6 | 0 | 0 | 0 | 108.2 | V283 P302 L333 V335 D342 T360 T361 I363 | V283-Y346 HydrophobicContact CG2-CD1 3.78Å; V283-Y346 HydrophobicContact CG2-CE1 4.15Å; V283-Y346 HydrophobicContact CG2-CG 4.12Å; P302-Y346 HydrophobicContact CG-CD2 4.49Å; P302-Y346 HydrophobicContact CG-CE2 4.05Å; L333-Y346 HydrophobicContact CD2-CD1 4.17Å; L333-Y346 HydrophobicContact CD2-CE1 3.93Å; V335-Y346 HydrophobicContact CG2-CE1 4Å; D342-Y346 VanDerWaalsContact O-CE2 3.31Å; D342-Y346 WeakPolarHBondContact O-CE2 3.38Å; D342-Y346 PolarHBondContact O-OH 3.09Å; Y346-T360 WeakPolarHBondContact O-CA 3.24Å; Y346-T361 PolarHBondContact N-O 3.35Å; Y346-T361 PolarHBondContact O-N 3.46Å; Y346-I363 HydrophobicContact CD2-CB 4.29Å; Y346-I363 HydrophobicContact CD2-CD1 3.7Å; Y346-I363 HydrophobicContact CD2-CG1 3.78Å; Y346-I363 HydrophobicContact CE2-CB 4.01Å; Y346-I363 HydrophobicContact CE2-CD1 3.58Å; Y346-I363 HydrophobicContact CE2-CG1 3.87Å; Y346-I363 HydrophobicContact CG-CD1 4.32Å |
| 347 | I | 97.5 | Very high | 92.9 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.3 | -174 | -51.6 | 175.6 | 0 | 0 | 0 | 108.2 | W299 S300 K349 I358 V359 T360 | W299-I347 WeakPolarHBondContact CA-O 2.98Å; S300-I347 PolarHBondContact N-O 2.93Å; S300-I347 PolarHBondContact O-N 3.45Å; I347-K349 HydrophobicContact CG2-CG 4.37Å; I347-I358 HydrophobicContact CG2-CG2 3.45Å; I347-I358 VanDerWaalsContact CG2-CG2 3.45Å; I347-V359 WeakPolarHBondContact CA-O 3.42Å; I347-T360 HydrophobicContact CG1-CG2 3.95Å |
| 348 | C | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.7 | 168.7 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | L268 C285 W299 V359 | L268-C348 HydrophobicContact CD1-CB 3.84Å; C285-C348 HydrophobicContact CB-CB 3.67Å; C285-C348 WeakPolarHBondContact CB-SG 3.2Å; C285-C348 WeakPolarHBondContact SG-CB 3.4Å; C285-C348 CovalentContact SG-SG 2.03Å; C285-C348 PolarHBondContact SG-SG 2.92Å; W299-C348 HydrophobicContact CD2-CB 4.45Å; W299-C348 HydrophobicContact CE3-CB 4.08Å; W299-C348 HydrophobicContact CH2-CB 3.88Å; W299-C348 HydrophobicContact CZ2-CB 4.22Å; W299-C348 HydrophobicContact CZ3-CB 3.78Å; C348-V359 HydrophobicContact CB-CG2 3.98Å; C348-V359 PolarHBondContact N-O 3.3Å; C348-V359 PolarHBondContact O-N 3.47Å |
| 349 | K | 97.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.3 | 169.2 | -51.4 | -168.3 | 176 | -171.5 | 0 | 108.3 | F297 R298 I347 I358 | F297-K349 CarbonylContact C-O 3.58Å; F297-K349 WeakPolarHBondContact CA-O 3.36Å; R298-K349 HydrophobicContact CB-CB 4.26Å; R298-K349 PolarHBondContact N-O 3.23Å; R298-K349 PolarHBondContact O-N 2.88Å; I347-K349 HydrophobicContact CG2-CG 4.37Å; K349-I358 HydrophobicContact CB-CG1 4.34Å; K349-I358 HydrophobicContact CD-CD1 4Å; K349-I358 HydrophobicContact CD-CG1 4.18Å; K349-I358 HydrophobicContact CG-CD1 4.28Å; K349-I358 HydrophobicContact CG-CG1 3.93Å; K349-I358 HydrophobicContact CG-CG2 4.15Å |
| 350 | A | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P264 V266 V287 V295 S296 F297 E356 T357 | P264-A350 HydrophobicContact CG-CB 3.94Å; P264-A350 WeakPolarHBondContact CG-O 3.44Å; V266-A350 HydrophobicContact CG1-CB 4.46Å; V266-A350 HydrophobicContact CG2-CB 3.64Å; V287-A350 HydrophobicContact CG2-CB 3.75Å; V295-A350 HydrophobicContact CG1-CB 3.99Å; S296-A350 CarbonylContact O-C 3.53Å; S296-A350 WeakPolarHBondContact O-CA 3.27Å; F297-A350 HydrophobicContact CD1-CB 4.24Å; F297-A350 HydrophobicContact CE1-CB 4.17Å; A350-E356 CarbonylContact O-C 3.58Å; A350-E356 WeakPolarHBondContact O-CA 3.36Å; A350-T357 PolarHBondContact N-O 3.21Å; A350-T357 PolarHBondContact O-N 3.45Å |
| 351 | K | 93.3 | Very high | 93.8 | Very high | 111 Ų | 111 | 50 Ų | 50 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.8 | -176.7 | 177.4 | 178.2 | -175.6 | 175 | 0 | 111.4 | S296 G355 E356 | S296-K351 PolarHBondContact N-O 2.87Å; S296-K351 PolarHBondContact O-N 2.91Å; S296-K351 WeakPolarHBondContact OG-CB 3.46Å; S296-K351 PolarHBondContact OG-O 3.33Å; S296-K351 VanDerWaalsContact OG-O 3.06Å; K351-G355 WeakPolarHBondContact CA-O 3.43Å; K351-G355 WeakPolarHBondContact CG-O 3.37Å; K351-E356 HydrophobicContact CB-CB 4.01Å; K351-E356 HydrophobicContact CG-CB 4.2Å |
| 352 | N | 89.7 | Confident | 93.8 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | trans | -110.9 | -171 | 168.4 | 70 | -5.4 | 0 | 0 | 0 | 110 | G262 E293 N354 G355 | G262-N352 PolarHBondContact O-ND2 3.3Å; E293-N352 PolarHBondContact OE2-ND2 3.27Å; N352-N354 PolarHBondContact O-N 2.95Å; N352-N354 PolarHBondContact OD1-N 3.29Å; N352-G355 PolarHBondContact N-O 2.91Å; N352-G355 PolarHBondContact OD1-N 2.77Å; N352-G355 PolarHBondContact OD1-O 2.8Å; N352-G355 VanDerWaalsContact OD1-O 3.13Å | ||
| 353 | I | 85.8 | Confident | 93.8 | Very high | 141 Ų | 141 | 54.5 Ų | 54.5 | 72% | 0.723 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -65.7 | -22.7 | 178 | 57.6 | 166.3 | 0 | 0 | 0 | 113.3 | ||
| 354 | N | 85.7 | Confident | 93.6 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 34% | 0.342 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -98 | -15.9 | -171.7 | -60.3 | -47 | 0 | 0 | 0 | 113 | G262 E293 N352 | G262-N354 WeakPolarHBondContact O-CB 3.45Å; E293-N354 PolarHBondContact OE1-ND2 3.43Å; N352-N354 PolarHBondContact O-N 2.95Å; N352-N354 PolarHBondContact OD1-N 3.29Å |
| 355 | G | 89 | Confident | 93 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 26% | 0.258 | 32% | 0.316 | S | S | . | . | trans | 164.7 | -168.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K351 N352 | K351-G355 WeakPolarHBondContact CA-O 3.43Å; K351-G355 WeakPolarHBondContact CG-O 3.37Å; N352-G355 PolarHBondContact N-O 2.91Å; N352-G355 PolarHBondContact OD1-N 2.77Å; N352-G355 PolarHBondContact OD1-O 2.8Å; N352-G355 VanDerWaalsContact OD1-O 3.13Å | ||
| 356 | E | 93.4 | Very high | 91.9 | Very high | 107 Ų | 107 | 58.9 Ų | 58.9 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.6 | 176.5 | 64.5 | 178.2 | -141.3 | 0 | 0 | 111.8 | A350 K351 | A350-E356 CarbonylContact O-C 3.58Å; A350-E356 WeakPolarHBondContact O-CA 3.36Å; K351-E356 HydrophobicContact CB-CB 4.01Å; K351-E356 HydrophobicContact CG-CB 4.2Å |
| 357 | T | 94.8 | Very high | 91.7 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.6 | 174.4 | -61.3 | 0 | 0 | 0 | 0 | 108.6 | A263 P264 V266 A350 V359 | A263-T357 VanDerWaalsContact CB-OG1 3.24Å; A263-T357 WeakPolarHBondContact CB-OG1 3.45Å; P264-T357 VanDerWaalsContact O-CB 3.24Å; P264-T357 WeakPolarHBondContact O-CB 3.48Å; P264-T357 PolarHBondContact O-OG1 2.91Å; V266-T357 HydrophobicContact CB-CG2 4.06Å; V266-T357 HydrophobicContact CG2-CG2 3.53Å; A350-T357 PolarHBondContact N-O 3.21Å; A350-T357 PolarHBondContact O-N 3.45Å; T357-V359 HydrophobicContact CG2-CG1 4.3Å |
| 358 | I | 96.6 | Very high | 91.4 | Very high | 81 Ų | 81 | 63 Ų | 63 | 42% | 0.415 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.9 | -178.7 | -55 | 179.2 | 0 | 0 | 0 | 108.1 | I347 K349 | I347-I358 HydrophobicContact CG2-CG2 3.45Å; I347-I358 VanDerWaalsContact CG2-CG2 3.45Å; K349-I358 HydrophobicContact CB-CG1 4.34Å; K349-I358 HydrophobicContact CD-CD1 4Å; K349-I358 HydrophobicContact CD-CG1 4.18Å; K349-I358 HydrophobicContact CG-CD1 4.28Å; K349-I358 HydrophobicContact CG-CG1 3.93Å; K349-I358 HydrophobicContact CG-CG2 4.15Å |
| 359 | V | 96.6 | Very high | 91 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.1 | 176.9 | -70 | 0 | 0 | 0 | 0 | 109.8 | V266 L268 I347 C348 T357 | V266-V359 HydrophobicContact CB-CG1 4.06Å; V266-V359 HydrophobicContact CB-CG2 4.09Å; V266-V359 HydrophobicContact CG1-CG1 4.4Å; V266-V359 HydrophobicContact CG1-CG2 3.52Å; L268-V359 HydrophobicContact CB-CB 4.27Å; L268-V359 HydrophobicContact CB-CG2 3.8Å; L268-V359 HydrophobicContact CD2-CB 4.41Å; L268-V359 HydrophobicContact CD2-CG2 4.05Å; L268-V359 HydrophobicContact CG-CG2 4.36Å; I347-V359 WeakPolarHBondContact CA-O 3.42Å; C348-V359 HydrophobicContact CB-CG2 3.98Å; C348-V359 PolarHBondContact N-O 3.3Å; C348-V359 PolarHBondContact O-N 3.47Å; T357-V359 HydrophobicContact CG2-CG1 4.3Å |
| 360 | T | 96.8 | Very high | 90.7 | Very high | 78 Ų | 78 | 66 Ų | 66 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.4 | -177.1 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | N345 Y346 I347 | N345-T360 HydrophobicContact CB-CG2 3.86Å; Y346-T360 WeakPolarHBondContact O-CA 3.24Å; I347-T360 HydrophobicContact CG1-CG2 3.95Å |
| 361 | T | 95.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 70.1 Ų | 70.1 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.3 | 167.5 | -169 | 0 | 0 | 0 | 0 | 109.2 | L268 V283 N345 Y346 | L268-T361 HydrophobicContact CD2-CG2 3.62Å; L268-T361 HydrophobicContact CG-CG2 3.94Å; V283-T361 HydrophobicContact CG1-CG2 3.94Å; N345-T361 WeakPolarHBondContact CA-O 3.38Å; Y346-T361 PolarHBondContact N-O 3.35Å; Y346-T361 PolarHBondContact O-N 3.46Å |
| 362 | K | 93.9 | Very high | 90.2 | Very high | 151 Ų | 151 | 67.4 Ų | 67.4 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.7 | -180 | -175.2 | 177.4 | -179.6 | -177.1 | 0 | 109.4 | G344 N345 | G344-K362 WeakPolarHBondContact O-CA 3.24Å; N345-K362 WeakPolarHBondContact OD1-CG 3.07Å |
| 363 | I | 92.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114.4 | 172.7 | -53.2 | -175.4 | 0 | 0 | 0 | 107.3 | A270 V275 V281 V283 M338 F343 G344 Y346 | A270-I363 HydrophobicContact CB-CD1 4.02Å; A270-I363 HydrophobicContact CB-CG1 4.33Å; V275-I363 HydrophobicContact CB-CG2 3.85Å; V275-I363 HydrophobicContact CG1-CG2 4.25Å; V275-I363 HydrophobicContact CG2-CG2 3.67Å; V281-I363 HydrophobicContact CG1-CD1 3.84Å; V283-I363 HydrophobicContact CG2-CD1 3.81Å; M338-I363 HydrophobicContact CE-CG2 3.98Å; F343-I363 HydrophobicContact CD1-CG2 4.2Å; F343-I363 HydrophobicContact CE1-CG2 4.49Å; G344-I363 PolarHBondContact N-O 3.09Å; G344-I363 PolarHBondContact O-N 3.49Å; Y346-I363 HydrophobicContact CD2-CB 4.29Å; Y346-I363 HydrophobicContact CD2-CD1 3.7Å; Y346-I363 HydrophobicContact CD2-CG1 3.78Å; Y346-I363 HydrophobicContact CE2-CB 4.01Å; Y346-I363 HydrophobicContact CE2-CD1 3.58Å; Y346-I363 HydrophobicContact CE2-CG1 3.87Å; Y346-I363 HydrophobicContact CG-CD1 4.32Å |
| 364 | A | 87.9 | Confident | 90.5 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | trans | -102.6 | 150.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | F343 S366 | F343-A364 VanDerWaalsContact CD1-C 3.47Å; A364-S366 PolarHBondContact O-N 3.42Å | ||
| 365 | S | 81.3 | Confident | 91 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -66.8 | 129.1 | 167.4 | -174 | 0 | 0 | 0 | 0 | 108.3 | F343 | F343-S365 VanDerWaalsContact CD1-N 3.26Å; F343-S365 VanDerWaalsContact CE1-CA 3.45Å |
| 366 | S | 73.2 | Confident | 91.1 | Very high | 102 Ų | 102 | 69.5 Ų | 69.5 | 71% | 0.713 | 41% | 0.405 | S | S | * | . | trans | -73.5 | 0 | 164 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | V275 R276 A364 | V275-S366 PolarHBondContact O-N 2.93Å; V275-S366 PolarHBondContact O-OG 3.03Å; R276-S366 WeakPolarHBondContact CG-OG 3.47Å; A364-S366 PolarHBondContact O-N 3.42Å |
Retrieved 366 of 366 residues in 386.6 ms
(Link to these results)