| 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 | 44.7 | Very low | 43.2 | Very low | 245 Ų | 245 | 160.5 Ų | 160.5 | 100% | 1.207 | 84% | 0.842 | S | S | * | * | 0 | 94.3 | 0 | -64.9 | 173.9 | 95.9 | 0 | 0 | 108.3 | |||||
| 2 | S | 53.5 | Low | 42.4 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -173.1 | 118.1 | 151.9 | 52.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | S | 45.4 | Very low | 41.4 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -87.4 | 133.5 | -177.4 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | T | 53.5 | Low | 41 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -91.7 | 122.1 | 175.4 | -28.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | Q | 46.8 | Very low | 40.1 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -94.1 | 112.1 | 174.8 | -167.9 | 172.8 | 21.5 | 0 | 0 | 109.6 | ||||
| 6 | S | 42.4 | Very low | 39.6 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -85.3 | 124.2 | 171 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | Y | 38.3 | Very low | 39.2 | Very low | 203 Ų | 203 | 152.3 Ų | 152.3 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -91.3 | 115.4 | 173.8 | -171.3 | -97.1 | 0 | 0 | 0 | 109.8 | K9 | Y7-K9 HydrophobicContact CD1-CG 4.1Å; Y7-K9 HydrophobicContact CE1-CG 3.7Å | ||
| 8 | V | 37.4 | Very low | 39 | Very low | 103 Ų | 103 | 154.4 Ų | 154.4 | 62% | 0.624 | 81% | 0.805 | S | S | * | * | trans | -90.1 | 113.1 | 173.3 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | H10 | V8-H10 PolarHBondContact O-N 2.92Š| ||
| 9 | K | 43 | Very low | 38.6 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -77.2 | 111.5 | 167.8 | -92.6 | -177.7 | 174.6 | 170 | 0 | 108.5 | Y7 | Y7-K9 HydrophobicContact CD1-CG 4.1Å; Y7-K9 HydrophobicContact CE1-CG 3.7Å | ||
| 10 | H | 34.7 | Very low | 38.4 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -76.3 | 118.4 | 162.7 | -80.4 | -97.1 | 0 | 0 | 0 | 108.8 | V8 V12 | V8-H10 PolarHBondContact O-N 2.92Å; H10-V12 PolarHBondContact O-N 2.95Å | ||
| 11 | E | 34.9 | Very low | 38.1 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -73.2 | 112.7 | 170.8 | -160.2 | 171.1 | 151.7 | 0 | 0 | 107.9 | S13 | E11-S13 PolarHBondContact O-N 3.08Š| ||
| 12 | V | 34.6 | Very low | 37.6 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -80 | 103.4 | -177.9 | -170.5 | 0 | 0 | 0 | 0 | 107.7 | H10 C14 | H10-V12 PolarHBondContact O-N 2.95Å; V12-C14 PolarHBondContact O-N 3.03Å | ||
| 13 | S | 29.1 | Very low | 36.7 | Very low | 95 Ų | 95 | 148 Ų | 148 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -68 | 106.8 | 170.5 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | E11 W15 | E11-S13 PolarHBondContact O-N 3.08Å; S13-W15 PolarHBondContact O-N 3.2Å | ||
| 14 | C | 35.7 | Very low | 36.1 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -80.5 | 67 | 173.7 | -69 | 0 | 0 | 0 | 0 | 111.3 | V12 | V12-C14 PolarHBondContact O-N 3.03Š| ||
| 15 | W | 27.7 | Very low | 35.2 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 71% | 0.705 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 66.6 | 173.8 | -62.1 | 79.1 | 0 | 0 | 0 | 109.2 | S13 | S13-W15 PolarHBondContact O-N 3.2Š| ||
| 16 | D | 32.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -171.9 | 112.2 | 159.5 | -112.3 | -55.2 | 0 | 0 | 0 | 110.2 | ||||
| 17 | D | 32.6 | Very low | 34.6 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 166.5 | 84.6 | 122.5 | -157.7 | -20.5 | 0 | 0 | 0 | 108.7 | S19 | D17-S19 PolarHBondContact OD1-N 3.47Š| |||
| 18 | R | 34.9 | Very low | 34.1 | Very low | 190 Ų | 190 | 155 Ų | 155 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -113.1 | 52.7 | 170.2 | -153 | 177.9 | -175.7 | -149.4 | 3.7 | 109.7 | ||||
| 19 | S | 32.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -108.7 | 54 | 170.8 | -50.1 | 0 | 0 | 0 | 0 | 110.9 | D17 | D17-S19 PolarHBondContact OD1-N 3.47Š| ||
| 20 | S | 33.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 152.8 Ų | 152.8 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | -151.5 | 85.8 | 168.5 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | R22 | S20-R22 PolarHBondContact O-N 2.9Š| ||
| 21 | L | 32.2 | Very low | 34.1 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 65.6 | 160.9 | -85 | 163.5 | 0 | 0 | 0 | 109.7 | ||
| 22 | R | 34.2 | Very low | 34.5 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.8 | 31.9 | 169.7 | -112.2 | 176.5 | -128.6 | -104.9 | 6.5 | 113.4 | S20 | S20-R22 PolarHBondContact O-N 2.9Š|
| 23 | S | 35.2 | Very low | 35 | Very low | 86 Ų | 86 | 157 Ų | 157 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | trans | -155.7 | 46.7 | 172.5 | -152.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 24 | L | 31.6 | Very low | 35.9 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -101.8 | 51.7 | 173.1 | -142.6 | 83.6 | 0 | 0 | 0 | 110.8 | ||||
| 25 | K | 36 | Very low | 36.8 | Very low | 188 Ų | 188 | 158.2 Ų | 158.2 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -155.3 | 83 | 167.7 | -79 | -163.7 | -179.2 | -174.1 | 0 | 106.8 | ||
| 26 | R | 37.7 | Very low | 37.7 | Very low | 208 Ų | 208 | 153.3 Ų | 153.3 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 154.4 | 99.3 | 167.8 | -90.6 | 172.2 | -132.8 | -112 | 13.3 | 107.5 | ||
| 27 | C | 38.7 | Very low | 38.4 | Very low | 126 Ų | 126 | 156 Ų | 156 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 172.1 | -1.8 | 158.4 | -100.5 | 0 | 0 | 0 | 0 | 113 | ||
| 28 | W | 28.5 | Very low | 38.9 | Very low | 232 Ų | 232 | 158.3 Ų | 158.3 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -123 | 118 | 162.1 | -84.4 | -11 | 0 | 0 | 0 | 108 | ||
| 29 | S | 33.1 | Very low | 39.4 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 82 | 98.5 | -159.4 | -44.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 30 | D | 37.1 | Very low | 39.7 | Very low | 133 Ų | 133 | 159.8 Ų | 159.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 167.8 | 75.5 | 142.6 | -78.5 | -24 | 0 | 0 | 0 | 106.9 | ||
| 31 | D | 43.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 162.7 Ų | 162.7 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -168.4 | 2.1 | 159.4 | -96.4 | -31.6 | 0 | 0 | 0 | 114.2 | ||
| 32 | L | 44.6 | Very low | 41.1 | Very low | 180 Ų | 180 | 162.2 Ų | 162.2 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | trans | -146.4 | 45.9 | -173.4 | -67.1 | 173.2 | 0 | 0 | 0 | 114.2 | ||||
| 33 | W | 43.7 | Very low | 41.7 | Very low | 221 Ų | 221 | 154.6 Ų | 154.6 | 84% | 0.837 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -120.5 | 136.1 | 160.2 | 173.6 | -88.1 | 0 | 0 | 0 | 109.2 | ||
| 34 | P | 48.1 | Very low | 42 | Very low | 82 Ų | 82 | 163 Ų | 163 | 53% | 0.532 | 82% | 0.823 | S | S | . | * | trans | -83.2 | 121.8 | -142.7 | 30.4 | -31 | 0 | 0 | 0 | 114.1 | A36 | P34-A36 HydrophobicContact CB-CB 4.48Å; P34-A36 PolarHBondContact O-N 3.2Å | ||
| 35 | T | 55 | Low | 42.8 | Very low | 157 Ų | 157 | 159.2 Ų | 159.2 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | trans | -73.4 | 69.1 | 151.6 | -47.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 36 | A | 47.4 | Very low | 43.6 | Very low | 83 Ų | 83 | 157.4 Ų | 157.4 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | trans | -155.4 | 60.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P34 | P34-A36 HydrophobicContact CB-CB 4.48Å; P34-A36 PolarHBondContact O-N 3.2Å | ||
| 37 | R | 47.1 | Very low | 44.5 | Very low | 221 Ų | 221 | 156.7 Ų | 156.7 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -136.7 | 126.7 | 156.6 | -85.7 | -171 | 169.3 | 135.4 | -1.4 | 107.2 | ||
| 38 | Q | 41.7 | Very low | 44.7 | Very low | 185 Ų | 185 | 156.5 Ų | 156.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 84.8 | 68.6 | -178.5 | -62.9 | -156.6 | -23.7 | 0 | 0 | 118 | ||
| 39 | V | 46.2 | Very low | 45.3 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | -150.6 | 70.5 | 127.2 | -122.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 40 | E | 38.8 | Very low | 46.1 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -120.1 | 62.6 | 170.1 | -71.7 | 163.7 | 148.1 | 0 | 0 | 107.5 | ||||
| 41 | D | 44.8 | Very low | 46.5 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -172.8 | 150.6 | 154.8 | -119.3 | -45.6 | 0 | 0 | 0 | 110.4 | ||
| 42 | I | 50.9 | Low | 46.6 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 83.6 | 86.8 | 177.8 | -42.3 | 163.8 | 0 | 0 | 0 | 114.6 | ||
| 43 | G | 45.4 | Very low | 47.1 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 153.9 | 13.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | A45 | G43-A45 VanDerWaalsContact C-N 3.33Å; G43-A45 PolarHBondContact O-N 3.28Å; G43-A45 VanDerWaalsContact O-N 3.1Å | ||
| 44 | R | 42.4 | Very low | 47.4 | Very low | 261 Ų | 261 | 142 Ų | 142 | 99% | 0.985 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 74.8 | 171.4 | -75.4 | -160.8 | -175.7 | -165.3 | 3.9 | 111.6 | ||||
| 45 | A | 48.9 | Very low | 47.4 | Very low | 78 Ų | 78 | 144 Ų | 144 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -166.9 | 132.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | G43 | G43-A45 VanDerWaalsContact C-N 3.33Å; G43-A45 PolarHBondContact O-N 3.28Å; G43-A45 VanDerWaalsContact O-N 3.1Å |
| 46 | L | 52.1 | Low | 46.9 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 91.3 | 107.2 | 172.1 | -48.1 | 156.7 | 0 | 0 | 0 | 114.2 | ||
| 47 | F | 55.7 | Low | 46.8 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | 104.9 | 118.3 | 159 | -52.7 | -68 | 0 | 0 | 0 | 118.3 | ||||
| 48 | P | 43.7 | Very low | 46.4 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -88.4 | 158.7 | -172.6 | 36.5 | -34.5 | 0 | 0 | 0 | 113.8 | ||||
| 49 | S | 42 | Very low | 46.4 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -54.2 | 152.1 | -176.7 | 46.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 50 | P | 48.9 | Very low | 46.3 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | -129.5 | 138.3 | 126.8 | 35.2 | -23.9 | 0 | 0 | 0 | 113.4 | |||||
| 51 | T | 46.4 | Very low | 46.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 68.7 | 89.6 | 148.8 | -35.4 | 0 | 0 | 0 | 0 | 117.2 | A53 | T51-A53 PolarHBondContact O-N 2.99Š| ||
| 52 | S | 45.7 | Very low | 47.3 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 98.3 | 159.8 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 53 | A | 54.9 | Low | 48 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | trans | -91.5 | 94.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | T51 P55 | T51-A53 PolarHBondContact O-N 2.99Å; A53-P55 WeakPolarHBondContact O-CD 3.38Å | ||
| 54 | E | 50.2 | Low | 49.4 | Very low | 169 Ų | 169 | 124.8 Ų | 124.8 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -60.7 | 125.5 | 168.5 | -89.6 | -168 | 98.5 | 0 | 0 | 109.2 | R56 | E54-R56 PolarHBondContact O-N 2.97Š| ||
| 55 | P | 48.1 | Very low | 51.3 | Low | 122 Ų | 122 | 114.5 Ų | 114.5 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | trans | -68.7 | 102.3 | 163.4 | 27.5 | -27.9 | 0 | 0 | 0 | 107 | A53 A57 | A53-P55 WeakPolarHBondContact O-CD 3.38Å; P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 2.67Å | ||
| 56 | R | 42.9 | Very low | 53.1 | Low | 232 Ų | 232 | 115.2 Ų | 115.2 | 88% | 0.875 | 70% | 0.696 | S | S | * | * | trans | -62.2 | 95.8 | 168.9 | -167.9 | 175.1 | 178 | 174.2 | -1.3 | 107.1 | E54 T58 | E54-R56 PolarHBondContact O-N 2.97Å; R56-T58 VanDerWaalsContact C-N 3.29Å; R56-T58 PolarHBondContact O-N 3.28Å | ||
| 57 | A | 45.5 | Very low | 55 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | -63.9 | 95.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | P55 T59 | P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 2.67Å; A57-T59 VanDerWaalsContact C-N 3.32Å; A57-T59 PolarHBondContact O-N 2.9Å | ||
| 58 | T | 40.1 | Very low | 56.8 | Low | 125 Ų | 125 | 104.7 Ų | 104.7 | 77% | 0.767 | 66% | 0.656 | S | S | * | * | trans | -59.5 | 103.7 | 163.6 | -58.9 | 0 | 0 | 0 | 0 | 105.7 | R56 S60 | R56-T58 VanDerWaalsContact C-N 3.29Å; R56-T58 PolarHBondContact O-N 3.28Å; T58-S60 PolarHBondContact O-N 2.89Å | ||
| 59 | T | 41.3 | Very low | 59.2 | Low | 131 Ų | 131 | 101.7 Ų | 101.7 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | trans | -60.4 | 105.5 | -180 | -25.6 | 0 | 0 | 0 | 0 | 106.4 | A57 A61 | A57-T59 VanDerWaalsContact C-N 3.32Å; A57-T59 PolarHBondContact O-N 2.9Å; T59-A61 PolarHBondContact O-N 3.04Å | ||
| 60 | S | 44 | Very low | 61.6 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | trans | -51.5 | 125.1 | 174.1 | -177 | 0 | 0 | 0 | 0 | 107.9 | T58 S62 | T58-S60 PolarHBondContact O-N 2.89Å; S60-S62 PolarHBondContact O-N 3.27Å | ||
| 61 | A | 49.1 | Very low | 63.5 | Low | 89 Ų | 89 | 98.9 Ų | 98.9 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | trans | -66.8 | 67.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T59 I63 | T59-A61 PolarHBondContact O-N 3.04Å; A61-I63 PolarHBondContact O-N 3.27Å | ||
| 62 | S | 55.4 | Low | 65.4 | Low | 101 Ų | 101 | 100 Ų | 100 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | trans | -69.4 | 115.5 | 168.7 | 57.9 | 0 | 0 | 0 | 0 | 107.3 | S60 A64 | S60-S62 PolarHBondContact O-N 3.27Å; S62-A64 PolarHBondContact O-N 2.8Å | ||
| 63 | I | 65.4 | Low | 67.4 | Low | 41 Ų | 41 | 103.1 Ų | 103.1 | 21% | 0.21 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -53.3 | 116.3 | 167.1 | -70.7 | 176.1 | 0 | 0 | 0 | 108.1 | A61 V65 D80 F84 F118 | A61-I63 PolarHBondContact O-N 3.27Å; I63-V65 PolarHBondContact O-N 3.49Å; I63-D80 WeakPolarHBondContact CG2-O 3.17Å; I63-F84 HydrophobicContact CD1-CD2 4.27Å; I63-F84 HydrophobicContact CD1-CE2 3.48Å; I63-F84 VanDerWaalsContact CD1-CE2 3.48Å; I63-F84 HydrophobicContact CD1-CZ 4.04Å; I63-F84 HydrophobicContact CG1-CE2 4.34Å; I63-F118 HydrophobicContact CD1-CB 3.62Å; I63-F118 HydrophobicContact CD1-CD1 3.04Å; I63-F118 HydrophobicContact CD1-CD2 3.8Å; I63-F118 HydrophobicContact CD1-CE1 3.4Å; I63-F118 VanDerWaalsContact CD1-CE1 3.4Å; I63-F118 HydrophobicContact CD1-CE2 4.14Å; I63-F118 HydrophobicContact CD1-CG 3.22Å; I63-F118 HydrophobicContact CD1-CZ 3.96Å; I63-F118 HydrophobicContact CG1-CG 4.5Å |
| 64 | A | 75.2 | Confident | 69.2 | Low | 54 Ų | 54 | 102.2 Ų | 102.2 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -77.7 | 125.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S62 L66 D80 | S62-A64 PolarHBondContact O-N 2.8Å; A64-L66 PolarHBondContact O-N 2.76Å; A64-D80 PolarHBondContact O-N 3.26Å |
| 65 | V | 81 | Confident | 71.3 | Confident | 44 Ų | 44 | 94.5 Ų | 94.5 | 27% | 0.267 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 123.5 | 165.2 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | I63 V68 L79 R120 | I63-V65 PolarHBondContact O-N 3.49Å; V65-V68 HydrophobicContact CG1-CG2 3.88Å; V65-L79 HydrophobicContact CB-CD2 4.06Å; V65-L79 HydrophobicContact CG1-CD2 4.16Å; V65-L79 HydrophobicContact CG2-CD2 3.49Å; V65-L79 VanDerWaalsContact CG2-CD2 3.49Å; V65-R120 VanDerWaalsContact CG2-NE 3.3Å |
| 66 | L | 88.2 | Confident | 73.5 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -45.3 | -179.1 | -66.9 | 172 | 0 | 0 | 0 | 110.7 | A64 T78 D80 L142 | A64-L66 PolarHBondContact O-N 2.76Å; L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 WeakPolarHBondContact CB-O 3.44Å; L66-T78 HydrophobicContact CD1-CG2 4.23Å; L66-T78 PolarHBondContact N-O 2.83Å; L66-D80 HydrophobicContact CD1-CB 4.21Å; L66-D80 HydrophobicContact CG-CB 4.46Å; L66-L142 HydrophobicContact CD1-CD1 3.9Å; L66-L142 HydrophobicContact CD1-CD2 3.28Å; L66-L142 HydrophobicContact CD1-CG 4.16Å |
| 67 | S | 91.6 | Very high | 76 | Confident | 48 Ų | 48 | 79 Ų | 79 | 34% | 0.336 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 142.9 | 179.2 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | D77 T78 | S67-D77 CarbonylContact O-C 3.59Å; S67-T78 PolarHBondContact N-O 2.81Å; S67-T78 PolarHBondContact O-N 2.84Å; S67-T78 WeakPolarHBondContact OG-CB 3.34Å; S67-T78 PolarHBondContact OG-OG1 2.71Å |
| 68 | V | 93.8 | Very high | 78.4 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.1 | 167 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | V65 F75 Q76 D77 Y122 | V65-V68 HydrophobicContact CG1-CG2 3.88Å; V68-F75 HydrophobicContact CG1-CE2 3.82Å; V68-F75 HydrophobicContact CG1-CZ 4.22Å; V68-Q76 CarbonylContact C-O 3.53Å; V68-Q76 WeakPolarHBondContact CA-O 3.4Å; V68-D77 WeakPolarHBondContact CG2-OD1 3.26Å; V68-Y122 HydrophobicContact CG2-CE1 4Å |
| 69 | I | 93 | Very high | 81 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 29% | 0.292 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.3 | 178.3 | -58 | 171.4 | 0 | 0 | 0 | 108.4 | D71 F75 Q76 | I69-D71 WeakPolarHBondContact CG2-OD2 3.42Å; I69-F75 WeakPolarHBondContact O-CA 3.05Å; I69-Q76 HydrophobicContact CB-CB 4.28Å; I69-Q76 PolarHBondContact N-O 3.08Å; I69-Q76 PolarHBondContact O-N 3.02Å |
| 70 | N | 91.9 | Very high | 83.5 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 72.4 | -175.9 | -175.8 | 25.6 | 0 | 0 | 0 | 110.6 | P125 K149 | N70-P125 WeakPolarHBondContact OD1-CG 3.32Å; N70-K149 WeakPolarHBondContact OD1-CE 3.39Å; N70-K149 PolarHBondContact OD1-NZ 3.13Å |
| 71 | D | 89.1 | Confident | 86 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -88.7 | 163.6 | -179.6 | -61.8 | -35.3 | 0 | 0 | 0 | 111 | I69 K73 K74 K149 | I69-D71 WeakPolarHBondContact CG2-OD2 3.42Å; D71-K73 PolarHBondContact O-N 3.4Å; D71-K74 PolarHBondContact N-O 2.86Å; D71-K74 PolarHBondContact O-N 3.36Å; D71-K149 WeakPolarHBondContact O-CD 3.27Å; D71-K149 WeakPolarHBondContact O-CE 3.34Å; D71-K149 PolarHBondContact O-NZ 2.63Å | ||
| 72 | D | 86.8 | Confident | 88.1 | Confident | 152 Ų | 152 | 60.6 Ų | 60.6 | 81% | 0.813 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -57.3 | -22.1 | 177.1 | -61.7 | -37.6 | 0 | 0 | 0 | 114 | ||
| 73 | K | 88.5 | Confident | 89.8 | Confident | 178 Ų | 178 | 61.3 Ų | 61.3 | 77% | 0.774 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -97.2 | -31.6 | -176.4 | -61.1 | -179.7 | -177.5 | 177.7 | 0 | 113.8 | D71 K149 | D71-K73 PolarHBondContact O-N 3.4Å; K73-K149 PolarHBondContact O-N 3.5Å |
| 74 | K | 91.6 | Very high | 91.1 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 155 | -172.3 | 65.6 | 169.7 | -178 | 165.3 | 0 | 112.8 | D71 A147 | D71-K74 PolarHBondContact N-O 2.86Å; D71-K74 PolarHBondContact O-N 3.36Å; K74-A147 CarbonylContact C-O 3.58Å; K74-A147 VanDerWaalsContact CA-O 3.26Å; K74-A147 WeakPolarHBondContact CA-O 3.19Å; K74-A147 WeakPolarHBondContact CB-O 3.4Å |
| 75 | F | 94.4 | Very high | 92 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.6 | 165.4 | 174.2 | -96.9 | 0 | 0 | 0 | 107.9 | V68 I69 L98 L124 P125 V128 F133 E146 A147 | V68-F75 HydrophobicContact CG1-CE2 3.82Å; V68-F75 HydrophobicContact CG1-CZ 4.22Å; I69-F75 WeakPolarHBondContact O-CA 3.05Å; F75-L98 HydrophobicContact CE1-CD2 4.13Å; F75-L124 HydrophobicContact CD1-CD2 3.98Å; F75-L124 HydrophobicContact CE1-CD2 3.68Å; F75-L124 HydrophobicContact CZ-CD2 4.05Å; F75-P125 HydrophobicContact CD2-CG 3.88Å; F75-P125 HydrophobicContact CE2-CG 4.43Å; F75-V128 HydrophobicContact CB-CG2 3.81Å; F75-V128 HydrophobicContact CG-CG2 4.46Å; F75-F133 AromaticContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CZ 4.19Å; F75-F133 HydrophobicContact CE1-CE1 4.34Å; F75-E146 CarbonylContact O-C 3.51Å; F75-E146 VanDerWaalsContact O-CA 3.29Å; F75-E146 WeakPolarHBondContact O-CA 3.42Å; F75-A147 PolarHBondContact N-O 3.48Å; F75-A147 PolarHBondContact O-N 2.81Å |
| 76 | Q | 95.1 | Very high | 92.6 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 135.8 | 178.6 | 178.5 | -175.2 | -36.3 | 0 | 0 | 110.2 | V68 I69 T144 T145 E146 | V68-Q76 CarbonylContact C-O 3.53Å; V68-Q76 WeakPolarHBondContact CA-O 3.4Å; I69-Q76 HydrophobicContact CB-CB 4.28Å; I69-Q76 PolarHBondContact N-O 3.08Å; I69-Q76 PolarHBondContact O-N 3.02Å; Q76-T144 HydrophobicContact CG-CG2 3.78Å; Q76-T145 CarbonylContact C-O 3.53Å; Q76-T145 VanDerWaalsContact CA-O 3.29Å; Q76-T145 WeakPolarHBondContact CA-O 3.22Å; Q76-E146 HydrophobicContact CB-CB 4.15Å; Q76-E146 HydrophobicContact CG-CB 4.15Å |
| 77 | D | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.6 | 171.7 | 179.3 | 41.8 | 0 | 0 | 0 | 110.3 | S67 V68 L79 Y122 T144 T145 | S67-D77 CarbonylContact O-C 3.59Å; V68-D77 WeakPolarHBondContact CG2-OD1 3.26Å; D77-L79 VanDerWaalsContact OD2-CG 3.3Å; D77-L79 WeakPolarHBondContact OD2-CG 3.29Å; D77-Y122 HydrophobicContact CB-CE2 4.46Å; D77-Y122 PolarHBondContact OD1-OH 2.86Å; D77-Y122 WeakPolarHBondContact OD2-CE2 3.35Å; D77-Y122 PolarHBondContact OD2-OH 2.83Å; D77-T144 WeakPolarHBondContact O-CA 3.24Å; D77-T145 PolarHBondContact N-O 3.09Å; D77-T145 PolarHBondContact O-N 3.08Å |
| 78 | T | 95.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 67.3 Ų | 67.3 | 8% | 0.08 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 117.1 | 177 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | L66 S67 L142 L143 | L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 WeakPolarHBondContact CB-O 3.44Å; L66-T78 HydrophobicContact CD1-CG2 4.23Å; L66-T78 PolarHBondContact N-O 2.83Å; S67-T78 PolarHBondContact N-O 2.81Å; S67-T78 PolarHBondContact O-N 2.84Å; S67-T78 WeakPolarHBondContact OG-CB 3.34Å; S67-T78 PolarHBondContact OG-OG1 2.71Å; T78-L142 HydrophobicContact CG2-CB 4.44Å; T78-L143 WeakPolarHBondContact CA-O 3.32Å |
| 79 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141 | -177.6 | -67.7 | 177.9 | 0 | 0 | 0 | 111.1 | V65 D77 V81 I100 R120 Y122 L142 L143 | V65-L79 HydrophobicContact CB-CD2 4.06Å; V65-L79 HydrophobicContact CG1-CD2 4.16Å; V65-L79 HydrophobicContact CG2-CD2 3.49Å; V65-L79 VanDerWaalsContact CG2-CD2 3.49Å; D77-L79 VanDerWaalsContact OD2-CG 3.3Å; D77-L79 WeakPolarHBondContact OD2-CG 3.29Å; L79-V81 HydrophobicContact CB-CG1 4.27Å; L79-I100 HydrophobicContact CD1-CB 4.16Å; L79-I100 HydrophobicContact CD1-CD1 3.55Å; L79-I100 HydrophobicContact CD1-CG1 4.4Å; L79-I100 HydrophobicContact CD1-CG2 4.01Å; L79-R120 HydrophobicContact CD1-CB 4.46Å; L79-R120 HydrophobicContact CD1-CG 4.38Å; L79-R120 HydrophobicContact CD2-CG 4.48Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.48Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.4Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.97Å; L79-L143 PolarHBondContact O-N 3.05Å |
| 80 | D | 94.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 67.9 Ų | 67.9 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 112.4 | 167.3 | -175.4 | -2.3 | 0 | 0 | 0 | 110.4 | I63 A64 L66 T82 L142 | I63-D80 WeakPolarHBondContact CG2-O 3.17Å; A64-D80 PolarHBondContact O-N 3.26Å; L66-D80 HydrophobicContact CD1-CB 4.21Å; L66-D80 HydrophobicContact CG-CB 4.46Å; D80-T82 VanDerWaalsContact OD1-CB 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.13Å; D80-T82 PolarHBondContact OD1-N 3.28Å; D80-T82 PolarHBondContact OD1-OG1 2.84Å; D80-L142 HydrophobicContact CB-CD2 4.08Å |
| 81 | V | 94.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | trans | -122.1 | 29.4 | 178.2 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | L79 H83 F84 L89 F118 L137 G141 L143 | L79-V81 HydrophobicContact CB-CG1 4.27Å; V81-H83 PolarHBondContact O-N 3.45Å; V81-F84 HydrophobicContact CB-CB 4.43Å; V81-F84 HydrophobicContact CB-CD2 4.34Å; V81-F84 PolarHBondContact O-N 2.99Å; V81-L89 HydrophobicContact CB-CD1 4.23Å; V81-L89 HydrophobicContact CB-CD2 4.31Å; V81-L89 HydrophobicContact CG1-CD2 4.17Å; V81-L89 HydrophobicContact CG2-CD1 3.85Å; V81-F118 HydrophobicContact CG1-CE1 4.18Å; V81-F118 HydrophobicContact CG1-CZ 3.81Å; V81-L137 HydrophobicContact CG2-CD1 3.5Å; V81-L137 VanDerWaalsContact CG2-CD1 3.5Å; V81-G141 CarbonylContact C-O 3.51Å; V81-G141 WeakPolarHBondContact CA-O 3.44Å; V81-G141 WeakPolarHBondContact CG2-O 3.44Å; V81-G141 PolarHBondContact N-O 2.88Å; V81-L143 HydrophobicContact CG1-CB 4.28Å; V81-L143 HydrophobicContact CG2-CB 3.69Å | ||
| 82 | T | 93.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 64.8 Ų | 64.8 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -26.6 | -177.1 | -58.9 | 0 | 0 | 0 | 0 | 114.2 | D80 N140 G141 | D80-T82 VanDerWaalsContact OD1-CB 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.13Å; D80-T82 PolarHBondContact OD1-N 3.28Å; D80-T82 PolarHBondContact OD1-OG1 2.84Å; T82-N140 PolarHBondContact OG1-O 3.12Å; T82-G141 PolarHBondContact N-O 2.99Å |
| 83 | H | 91.4 | Very high | 94.3 | Very high | 117 Ų | 117 | 60.7 Ų | 60.7 | 54% | 0.542 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9.9 | -179.5 | -57.8 | -54.1 | 0 | 0 | 0 | 114.7 | V81 | V81-H83 PolarHBondContact O-N 3.45Š|
| 84 | F | 93.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -122.4 | 145 | -178.8 | -66.8 | -93.2 | 0 | 0 | 0 | 110.7 | I63 V81 L89 H104 R116 F118 | I63-F84 HydrophobicContact CD1-CD2 4.27Å; I63-F84 HydrophobicContact CD1-CE2 3.48Å; I63-F84 VanDerWaalsContact CD1-CE2 3.48Å; I63-F84 HydrophobicContact CD1-CZ 4.04Å; I63-F84 HydrophobicContact CG1-CE2 4.34Å; V81-F84 HydrophobicContact CB-CB 4.43Å; V81-F84 HydrophobicContact CB-CD2 4.34Å; V81-F84 PolarHBondContact O-N 2.99Å; F84-L89 HydrophobicContact CB-CD2 3.8Å; F84-L89 HydrophobicContact CB-CG 4.17Å; F84-L89 HydrophobicContact CD1-CD2 4.39Å; F84-L89 HydrophobicContact CG-CD2 4.09Å; F84-H104 HydrophobicContact CD1-CB 3.93Å; F84-H104 HydrophobicContact CE1-CB 3.8Å; F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; F84-F118 HydrophobicContact CD1-CD1 4.45Å; F84-F118 HydrophobicContact CD1-CE1 4.23Å; F84-F118 HydrophobicContact CD2-CD1 4.38Å; F84-F118 HydrophobicContact CD2-CE1 4.02Å; F84-F118 AromaticContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CE1 4.08Å; F84-F118 AromaticContact CE2-CD1 3.78Å; F84-F118 HydrophobicContact CE2-CD1 3.78Å; F84-F118 AromaticContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CG-CE1 4.21Å; F84-F118 AromaticContact CZ-CD1 3.48Å; F84-F118 HydrophobicContact CZ-CD1 3.48Å; F84-F118 VanDerWaalsContact CZ-CD1 3.48Å; F84-F118 AromaticContact CZ-CE1 3.91Å; F84-F118 HydrophobicContact CZ-CE1 3.91Å |
| 85 | K | 93 | Very high | 94.1 | Very high | 107 Ų | 107 | 60.4 Ų | 60.4 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | trans | -80.2 | 155.9 | 169.2 | -64.9 | 173.4 | -173.3 | 160.2 | 0 | 110.1 | D87 E88 | K85-D87 PolarHBondContact O-N 3.33Å; K85-E88 HydrophobicContact CB-CB 4.46Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 2.89Å; K85-E88 WeakPolarHBondContact O-CB 3.08Å; K85-E88 PolarHBondContact O-N 3.4Å | ||
| 86 | P | 95.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -55.5 | -38.5 | 175.6 | -20.1 | 28.7 | 0 | 0 | 0 | 113 | E88 L89 L137 | P86-E88 PolarHBondContact O-N 3.39Å; P86-L89 PolarHBondContact O-N 2.94Å; P86-L137 HydrophobicContact CB-CD2 4.06Å; P86-L137 HydrophobicContact CG-CD2 3.78Å |
| 87 | D | 95.4 | Very high | 93.5 | Very high | 160 Ų | 160 | 65.1 Ų | 65.1 | 86% | 0.856 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -73 | -11.3 | -179 | -56.3 | -26.1 | 0 | 0 | 0 | 113.6 | K85 | K85-D87 PolarHBondContact O-N 3.33Š|
| 88 | E | 95.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 15% | 0.15 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -95 | -1.8 | 178.8 | -68.2 | 171.3 | 172.5 | 0 | 0 | 112.1 | K85 P86 G102 K103 H104 | K85-E88 HydrophobicContact CB-CB 4.46Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 2.89Å; K85-E88 WeakPolarHBondContact O-CB 3.08Å; K85-E88 PolarHBondContact O-N 3.4Å; P86-E88 PolarHBondContact O-N 3.39Å; E88-G102 CarbonylContact O-C 3.59Å; E88-G102 VanDerWaalsContact O-CA 3.27Å; E88-G102 WeakPolarHBondContact O-CA 3.36Å; E88-K103 WeakPolarHBondContact CB-O 3.46Å; E88-K103 WeakPolarHBondContact CG-O 2.91Å; E88-K103 PolarHBondContact O-N 2.8Å; E88-H104 VanDerWaalsContact CD-ND1 3.3Å; E88-H104 IonicContact OE1-CE1 3.94Å; E88-H104 IonicContact OE1-CG 2.84Å; E88-H104 IonicContact OE1-ND1 3.99Å; E88-H104 PolarHBondContact OE1-ND1 2.9Å; E88-H104 VanDerWaalsContact OE1-ND1 3.09Å; E88-H104 IonicContact OE2-CE1 3.99Å; E88-H104 IonicContact OE2-CG 3.09Å; E88-H104 IonicContact OE2-ND1 3.78Å; E88-H104 PolarHBondContact OE2-ND1 3.03Å |
| 89 | L | 96.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.2 | -176 | -61.9 | 171.8 | 0 | 0 | 0 | 110.9 | V81 F84 P86 F118 L137 | V81-L89 HydrophobicContact CB-CD1 4.23Å; V81-L89 HydrophobicContact CB-CD2 4.31Å; V81-L89 HydrophobicContact CG1-CD2 4.17Å; V81-L89 HydrophobicContact CG2-CD1 3.85Å; F84-L89 HydrophobicContact CB-CD2 3.8Å; F84-L89 HydrophobicContact CB-CG 4.17Å; F84-L89 HydrophobicContact CD1-CD2 4.39Å; F84-L89 HydrophobicContact CG-CD2 4.09Å; P86-L89 PolarHBondContact O-N 2.94Å; L89-F118 HydrophobicContact CD2-CE1 3.69Å; L89-F118 HydrophobicContact CD2-CZ 3.79Å; L89-L137 HydrophobicContact CD1-CD2 4.41Å |
| 90 | E | 96.6 | Very high | 93.5 | Very high | 113 Ų | 113 | 66.5 Ų | 66.5 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.6 | 177.2 | -169.9 | -179.7 | 170.5 | 0 | 0 | 110.4 | T92 H101 | E90-T92 HydrophobicContact CG-CG2 4.08Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.29Å; E90-H101 HydrophobicContact CB-CB 4.47Å; E90-H101 PolarHBondContact N-O 3.36Å; E90-H101 PolarHBondContact O-N 3.32Å; E90-H101 VanDerWaalsContact O-O 3.08Å |
| 91 | I | 95.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 65.8 Ų | 65.8 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.5 | 177.2 | -57.1 | 175.4 | 0 | 0 | 0 | 107.8 | L98 I99 I100 S135 L143 | I91-L98 HydrophobicContact CG2-CD1 3.39Å; I91-I99 WeakPolarHBondContact CA-O 3.36Å; I91-I100 HydrophobicContact CG1-CG1 4.27Å; I91-I100 HydrophobicContact CG1-CG2 4.32Å; I91-I100 HydrophobicContact CG2-CG1 4.36Å; I91-S135 VanDerWaalsContact CD1-CB 3.49Å; I91-L143 HydrophobicContact CD1-CD1 4.34Å; I91-L143 HydrophobicContact CD1-CD2 4.21Å |
| 92 | T | 95.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 65.7 Ų | 65.7 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.3 | 179.3 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | E90 I99 | E90-T92 HydrophobicContact CG-CG2 4.08Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.29Å; T92-I99 PolarHBondContact N-O 2.81Å; T92-I99 PolarHBondContact O-N 2.88Å |
| 93 | T | 93.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 65.8 Ų | 65.8 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.8 | 174 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | G97 L98 F133 | T93-G97 CarbonylContact C-O 3.53Å; T93-G97 VanDerWaalsContact CA-O 3.26Å; T93-G97 WeakPolarHBondContact CA-O 3.31Å; T93-L98 HydrophobicContact CG2-CD1 3.78Å; T93-F133 HydrophobicContact CG2-CD2 3.64Å; T93-F133 HydrophobicContact CG2-CE2 3.89Å; T93-F133 HydrophobicContact CG2-CG 4.36Å |
| 94 | K | 89.7 | Confident | 93.9 | Very high | 116 Ų | 116 | 60.7 Ų | 60.7 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 136.4 | -178.5 | -172.3 | -177.2 | 176.4 | -179 | 0 | 110.2 | D96 G97 | K94-D96 PolarHBondContact O-N 2.97Å; K94-G97 PolarHBondContact N-O 2.94Å; K94-G97 VanDerWaalsContact O-CA 3.29Å; K94-G97 WeakPolarHBondContact O-CA 3.43Å; K94-G97 PolarHBondContact O-N 2.88Å |
| 95 | D | 86.6 | Confident | 93.9 | Very high | 129 Ų | 129 | 63.8 Ų | 63.8 | 69% | 0.69 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 49.4 | 172.3 | -56 | -37.9 | 0 | 0 | 0 | 114.4 | G97 | D95-G97 PolarHBondContact O-N 3.09Å; D95-G97 VanDerWaalsContact O-N 3.15Å |
| 96 | D | 85.7 | Confident | 93.9 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 68% | 0.679 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 23.5 | -173.7 | -57.9 | -45.2 | 0 | 0 | 0 | 113.9 | K94 L124 | K94-D96 PolarHBondContact O-N 2.97Å; D96-L124 WeakPolarHBondContact O-CA 3.26Å; D96-L124 WeakPolarHBondContact O-CB 3.3Å; D96-L124 WeakPolarHBondContact O-CG 3.13Å; D96-L124 PolarHBondContact O-N 2.92Å |
| 97 | G | 91.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T93 K94 D95 Y122 | T93-G97 CarbonylContact C-O 3.53Å; T93-G97 VanDerWaalsContact CA-O 3.26Å; T93-G97 WeakPolarHBondContact CA-O 3.31Å; K94-G97 PolarHBondContact N-O 2.94Å; K94-G97 VanDerWaalsContact O-CA 3.29Å; K94-G97 WeakPolarHBondContact O-CA 3.43Å; K94-G97 PolarHBondContact O-N 2.88Å; D95-G97 PolarHBondContact O-N 3.09Å; D95-G97 VanDerWaalsContact O-N 3.15Å; G97-Y122 CarbonylContact C-O 3.59Å; G97-Y122 WeakPolarHBondContact CA-O 3.46Å |
| 98 | L | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.3 | 167.1 | 170.8 | 76.9 | 0 | 0 | 0 | 107.7 | F75 I91 T93 I100 P121 Y122 L124 F133 T145 | F75-L98 HydrophobicContact CE1-CD2 4.13Å; I91-L98 HydrophobicContact CG2-CD1 3.39Å; T93-L98 HydrophobicContact CG2-CD1 3.78Å; L98-I100 HydrophobicContact CD2-CD1 4.37Å; L98-I100 HydrophobicContact CG-CG1 4.36Å; L98-P121 CarbonylContact O-C 3.49Å; L98-P121 WeakPolarHBondContact O-CA 3.45Å; L98-Y122 HydrophobicContact CD2-CD2 4.11Å; L98-Y122 HydrophobicContact CG-CD2 4.45Å; L98-Y122 PolarHBondContact N-O 2.71Å; L98-Y122 PolarHBondContact O-N 3.22Å; L98-L124 HydrophobicContact CB-CD1 4.31Å; L98-L124 HydrophobicContact CB-CD2 3.77Å; L98-L124 HydrophobicContact CB-CG 4.22Å; L98-F133 HydrophobicContact CB-CZ 4.4Å; L98-F133 HydrophobicContact CD1-CD1 4.33Å; L98-F133 HydrophobicContact CD1-CE1 4.21Å; L98-F133 HydrophobicContact CD1-CZ 4.4Å; L98-F133 HydrophobicContact CD2-CE1 3.89Å; L98-F133 HydrophobicContact CD2-CZ 4.32Å; L98-T145 HydrophobicContact CD1-CG2 4.26Å; L98-T145 HydrophobicContact CD2-CG2 3.82Å |
| 99 | I | 95.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 65 Ų | 65 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.4 | 179.1 | -55.6 | 170.9 | 0 | 0 | 0 | 107.4 | I91 T92 T119 P121 | I91-I99 WeakPolarHBondContact CA-O 3.36Å; T92-I99 PolarHBondContact N-O 2.81Å; T92-I99 PolarHBondContact O-N 2.88Å; I99-T119 HydrophobicContact CG2-CG2 3.68Å; I99-P121 HydrophobicContact CG1-CB 4.43Å |
| 100 | I | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115.5 | 173.2 | -55.7 | -179.9 | 0 | 0 | 0 | 106.9 | L79 I91 L98 F118 T119 R120 Y122 L143 | L79-I100 HydrophobicContact CD1-CB 4.16Å; L79-I100 HydrophobicContact CD1-CD1 3.55Å; L79-I100 HydrophobicContact CD1-CG1 4.4Å; L79-I100 HydrophobicContact CD1-CG2 4.01Å; I91-I100 HydrophobicContact CG1-CG1 4.27Å; I91-I100 HydrophobicContact CG1-CG2 4.32Å; I91-I100 HydrophobicContact CG2-CG1 4.36Å; L98-I100 HydrophobicContact CD2-CD1 4.37Å; L98-I100 HydrophobicContact CG-CG1 4.36Å; I100-F118 HydrophobicContact CB-CE2 4.42Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.02Å; I100-T119 CarbonylContact O-C 3.57Å; I100-R120 HydrophobicContact CB-CB 4.41Å; I100-R120 PolarHBondContact N-O 3.25Å; I100-R120 PolarHBondContact O-N 2.93Å; I100-Y122 HydrophobicContact CD1-CE2 4.12Å; I100-L143 HydrophobicContact CD1-CD2 4.43Å; I100-L143 HydrophobicContact CG2-CD2 3.84Å |
| 101 | H | 96.3 | Very high | 91.5 | Very high | 42 Ų | 42 | 75 Ų | 75 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.7 | 176.4 | -177.9 | -119.8 | 0 | 0 | 0 | 108.8 | E90 E117 F118 T119 | E90-H101 HydrophobicContact CB-CB 4.47Å; E90-H101 PolarHBondContact N-O 3.36Å; E90-H101 PolarHBondContact O-N 3.32Å; E90-H101 VanDerWaalsContact O-O 3.08Å; H101-E117 IonicContact CD2-OE1 3.66Å; H101-E117 IonicContact CE1-OE1 2.71Å; H101-E117 IonicContact NE2-OE1 3.57Å; H101-E117 PolarHBondContact NE2-OE1 2.8Å; H101-F118 CarbonylContact C-O 3.54Å; H101-F118 WeakPolarHBondContact CA-O 3.16Å; H101-F118 PolarHBondContact CD2-O 2.78Å; H101-T119 PolarHBondContact CD2-OG1 2.76Å |
| 102 | G | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 131.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | E88 E117 F118 | E88-G102 CarbonylContact O-C 3.59Å; E88-G102 VanDerWaalsContact O-CA 3.27Å; E88-G102 WeakPolarHBondContact O-CA 3.36Å; G102-E117 CarbonylContact O-C 3.41Å; G102-E117 VanDerWaalsContact O-CA 3.24Å; G102-E117 WeakPolarHBondContact O-CA 3.41Å; G102-F118 VanDerWaalsContact CA-CE1 3.41Å; G102-F118 PolarHBondContact N-O 2.81Å; G102-F118 PolarHBondContact O-N 2.85Å |
| 103 | K | 96.2 | Very high | 91.1 | Very high | 79 Ų | 79 | 78.9 Ų | 78.9 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 104.8 | -173.8 | -167.6 | -169 | -169.4 | -155.4 | 0 | 110.2 | E88 E105 E117 | E88-K103 WeakPolarHBondContact CB-O 3.46Å; E88-K103 WeakPolarHBondContact CG-O 2.91Å; E88-K103 PolarHBondContact O-N 2.8Å; K103-E105 WeakPolarHBondContact CE-OE1 3.4Å; K103-E105 IonicContact NZ-OE1 3.15Å; K103-E105 PolarHBondContact NZ-OE1 2.93Å; K103-E117 HydrophobicContact CB-CG 4.42Å; K103-E117 HydrophobicContact CG-CG 4.25Å |
| 104 | H | 94.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 77.5 Ų | 77.5 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.7 | 172.5 | -176 | 80.8 | 0 | 0 | 0 | 109 | F84 E88 N107 V114 K115 R116 | F84-H104 HydrophobicContact CD1-CB 3.93Å; F84-H104 HydrophobicContact CE1-CB 3.8Å; E88-H104 VanDerWaalsContact CD-ND1 3.3Å; E88-H104 IonicContact OE1-CE1 3.94Å; E88-H104 IonicContact OE1-CG 2.84Å; E88-H104 IonicContact OE1-ND1 3.99Å; E88-H104 PolarHBondContact OE1-ND1 2.9Å; E88-H104 VanDerWaalsContact OE1-ND1 3.09Å; E88-H104 IonicContact OE2-CE1 3.99Å; E88-H104 IonicContact OE2-CG 3.09Å; E88-H104 IonicContact OE2-ND1 3.78Å; E88-H104 PolarHBondContact OE2-ND1 3.03Å; H104-N107 PolarHBondContact CE1-ND2 3.33Å; H104-N107 PolarHBondContact NE2-ND2 2.59Å; H104-N107 VanDerWaalsContact NE2-ND2 3.18Å; H104-V114 PolarHBondContact CD2-O 3.5Å; H104-K115 WeakPolarHBondContact O-CG 3.49Å; H104-R116 WeakPolarHBondContact CA-O 3.38Å; H104-R116 HydrophobicContact CB-CB 4.07Å; H104-R116 WeakPolarHBondContact CB-O 3.33Å; H104-R116 PolarHBondContact N-O 2.97Å; H104-R116 PolarHBondContact O-N 2.94Å; H104-R116 VanDerWaalsContact O-N 3.13Å; H104-R116 VanDerWaalsContact O-O 3.1Å |
| 105 | E | 93.7 | Very high | 91.1 | Very high | 86 Ų | 86 | 77.5 Ų | 77.5 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 163.2 | 172.9 | -67.8 | -61.9 | 169.7 | 0 | 0 | 111.5 | K103 N107 K115 | K103-E105 WeakPolarHBondContact CE-OE1 3.4Å; K103-E105 IonicContact NZ-OE1 3.15Å; K103-E105 PolarHBondContact NZ-OE1 2.93Å; E105-N107 PolarHBondContact O-N 2.86Å; E105-N107 PolarHBondContact O-ND2 3.02Å; E105-N107 VanDerWaalsContact O-ND2 3.08Å; E105-K115 IonicContact OE2-NZ 3.99Å; E105-K115 PolarHBondContact OE2-NZ 3.1Å; E105-K115 VanDerWaalsContact OE2-NZ 3.15Å |
| 106 | E | 92.2 | Very high | 91.4 | Very high | 127 Ų | 127 | 74.6 Ų | 74.6 | 59% | 0.593 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 106.4 | -177.6 | -172.3 | 173.3 | -148.8 | 0 | 0 | 111.1 | Y113 V114 K115 | E106-Y113 HydrophobicContact CG-CD1 4.09Å; E106-Y113 HydrophobicContact CG-CG 4.22Å; E106-Y113 VanDerWaalsContact OE1-CB 3.29Å; E106-Y113 WeakPolarHBondContact OE1-CB 3.5Å; E106-V114 WeakPolarHBondContact CA-O 3.33Å; E106-K115 HydrophobicContact CB-CB 4.25Å |
| 107 | N | 87.7 | Confident | 91.8 | Very high | 54 Ų | 54 | 73.9 Ų | 73.9 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 151.5 | 176.9 | -70.6 | -60.2 | 0 | 0 | 0 | 110.5 | H104 E105 D109 Y113 V114 | H104-N107 PolarHBondContact CE1-ND2 3.33Å; H104-N107 PolarHBondContact NE2-ND2 2.59Å; H104-N107 VanDerWaalsContact NE2-ND2 3.18Å; E105-N107 PolarHBondContact O-N 2.86Å; E105-N107 PolarHBondContact O-ND2 3.02Å; E105-N107 VanDerWaalsContact O-ND2 3.08Å; N107-D109 PolarHBondContact O-N 3.5Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 VanDerWaalsContact O-CA 3.31Å; N107-Y113 WeakPolarHBondContact O-CA 3.42Å; N107-V114 PolarHBondContact N-O 3.04Å; N107-V114 PolarHBondContact O-N 3.15Å |
| 108 | K | 87.7 | Confident | 92 | Very high | 164 Ų | 164 | 74.6 Ų | 74.6 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 114.3 | 177.1 | -171.4 | -179.5 | 178.1 | -175.6 | 0 | 109.8 | G112 Y113 | K108-G112 CarbonylContact C-O 3.56Å; K108-G112 WeakPolarHBondContact CA-O 3.5Å; K108-Y113 HydrophobicContact CB-CD1 4.14Å; K108-Y113 HydrophobicContact CB-CE1 3.97Å; K108-Y113 HydrophobicContact CG-CE1 4.27Å |
| 109 | D | 82.8 | Confident | 92 | Very high | 65 Ų | 65 | 78.8 Ų | 78.8 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 171.7 | 169.3 | -70.5 | -9.1 | 0 | 0 | 0 | 109.5 | N107 H111 G112 V114 R116 | N107-D109 PolarHBondContact O-N 3.5Å; D109-H111 PolarHBondContact O-N 2.91Å; D109-G112 PolarHBondContact N-O 2.66Å; D109-G112 PolarHBondContact O-N 2.71Å; D109-V114 HydrophobicContact CB-CG2 4.19Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.15Å; D109-R116 IonicContact OD2-NH2 2.85Å |
| 110 | D | 85.9 | Confident | 91.9 | Very high | 165 Ų | 165 | 81.8 Ų | 81.8 | 88% | 0.882 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.4 | -179.7 | -67.7 | -34.5 | 0 | 0 | 0 | 113.8 | ||
| 111 | H | 85.5 | Confident | 91.9 | Very high | 190 Ų | 190 | 85.7 Ų | 85.7 | 88% | 0.88 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 7.4 | -174.9 | -59.5 | -59.9 | 0 | 0 | 0 | 114.5 | D109 | D109-H111 PolarHBondContact O-N 2.91Š|
| 112 | G | 90.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 84.8 Ų | 84.8 | 31% | 0.309 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.4 | -144.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K108 D109 | K108-G112 CarbonylContact C-O 3.56Å; K108-G112 WeakPolarHBondContact CA-O 3.5Å; D109-G112 PolarHBondContact N-O 2.66Å; D109-G112 PolarHBondContact O-N 2.71Å |
| 113 | Y | 91.1 | Very high | 91.5 | Very high | 156 Ų | 156 | 92.9 Ų | 92.9 | 61% | 0.612 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.5 | 176.7 | -63.7 | -86.1 | 0 | 0 | 0 | 109.8 | E106 N107 K108 | E106-Y113 HydrophobicContact CG-CD1 4.09Å; E106-Y113 HydrophobicContact CG-CG 4.22Å; E106-Y113 VanDerWaalsContact OE1-CB 3.29Å; E106-Y113 WeakPolarHBondContact OE1-CB 3.5Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 VanDerWaalsContact O-CA 3.31Å; N107-Y113 WeakPolarHBondContact O-CA 3.42Å; K108-Y113 HydrophobicContact CB-CD1 4.14Å; K108-Y113 HydrophobicContact CB-CE1 3.97Å; K108-Y113 HydrophobicContact CG-CE1 4.27Å |
| 114 | V | 90.3 | Very high | 91.3 | Very high | 37 Ų | 37 | 90.3 Ų | 90.3 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.9 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | H104 E106 N107 D109 R116 | H104-V114 PolarHBondContact CD2-O 3.5Å; E106-V114 WeakPolarHBondContact CA-O 3.33Å; N107-V114 PolarHBondContact N-O 3.04Å; N107-V114 PolarHBondContact O-N 3.15Å; D109-V114 HydrophobicContact CB-CG2 4.19Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.15Å; V114-R116 HydrophobicContact CG1-CG 3.89Å |
| 115 | K | 93.1 | Very high | 91 | Very high | 116 Ų | 116 | 91.2 Ų | 91.2 | 50% | 0.504 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.1 | 172.2 | -177.7 | 172.4 | 178.7 | 146.5 | 0 | 108.1 | H104 E105 E106 | H104-K115 WeakPolarHBondContact O-CG 3.49Å; E105-K115 IonicContact OE2-NZ 3.99Å; E105-K115 PolarHBondContact OE2-NZ 3.1Å; E105-K115 VanDerWaalsContact OE2-NZ 3.15Å; E106-K115 HydrophobicContact CB-CB 4.25Å |
| 116 | R | 92.6 | Very high | 90.7 | Very high | 68 Ų | 68 | 95.6 Ų | 95.6 | 26% | 0.257 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 142.8 | -179.7 | -54.5 | -178.4 | -177.5 | 89.3 | -2.6 | 109.6 | F84 H104 D109 V114 | F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; H104-R116 WeakPolarHBondContact CA-O 3.38Å; H104-R116 HydrophobicContact CB-CB 4.07Å; H104-R116 WeakPolarHBondContact CB-O 3.33Å; H104-R116 PolarHBondContact N-O 2.97Å; H104-R116 PolarHBondContact O-N 2.94Å; H104-R116 VanDerWaalsContact O-N 3.13Å; H104-R116 VanDerWaalsContact O-O 3.1Å; D109-R116 IonicContact OD2-NH2 2.85Å; V114-R116 HydrophobicContact CG1-CG 3.89Å |
| 117 | E | 95.5 | Very high | 90.4 | Very high | 112 Ų | 112 | 91 Ų | 91 | 52% | 0.523 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 141.6 | 174.2 | -174.4 | 171.7 | 177.8 | 0 | 0 | 109.3 | H101 G102 K103 | H101-E117 IonicContact CD2-OE1 3.66Å; H101-E117 IonicContact CE1-OE1 2.71Å; H101-E117 IonicContact NE2-OE1 3.57Å; H101-E117 PolarHBondContact NE2-OE1 2.8Å; G102-E117 CarbonylContact O-C 3.41Å; G102-E117 VanDerWaalsContact O-CA 3.24Å; G102-E117 WeakPolarHBondContact O-CA 3.41Å; K103-E117 HydrophobicContact CB-CG 4.42Å; K103-E117 HydrophobicContact CG-CG 4.25Å |
| 118 | F | 95.2 | Very high | 90.6 | Very high | 24 Ų | 24 | 89.1 Ų | 89.1 | 11% | 0.105 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.4 | 174.6 | 77.9 | -88.4 | 0 | 0 | 0 | 111.9 | I63 V81 F84 L89 I100 H101 G102 R120 | I63-F118 HydrophobicContact CD1-CB 3.62Å; I63-F118 HydrophobicContact CD1-CD1 3.04Å; I63-F118 HydrophobicContact CD1-CD2 3.8Å; I63-F118 HydrophobicContact CD1-CE1 3.4Å; I63-F118 VanDerWaalsContact CD1-CE1 3.4Å; I63-F118 HydrophobicContact CD1-CE2 4.14Å; I63-F118 HydrophobicContact CD1-CG 3.22Å; I63-F118 HydrophobicContact CD1-CZ 3.96Å; I63-F118 HydrophobicContact CG1-CG 4.5Å; V81-F118 HydrophobicContact CG1-CE1 4.18Å; V81-F118 HydrophobicContact CG1-CZ 3.81Å; F84-F118 HydrophobicContact CD1-CD1 4.45Å; F84-F118 HydrophobicContact CD1-CE1 4.23Å; F84-F118 HydrophobicContact CD2-CD1 4.38Å; F84-F118 HydrophobicContact CD2-CE1 4.02Å; F84-F118 AromaticContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CE1 4.08Å; F84-F118 AromaticContact CE2-CD1 3.78Å; F84-F118 HydrophobicContact CE2-CD1 3.78Å; F84-F118 AromaticContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CG-CE1 4.21Å; F84-F118 AromaticContact CZ-CD1 3.48Å; F84-F118 HydrophobicContact CZ-CD1 3.48Å; F84-F118 VanDerWaalsContact CZ-CD1 3.48Å; F84-F118 AromaticContact CZ-CE1 3.91Å; F84-F118 HydrophobicContact CZ-CE1 3.91Å; L89-F118 HydrophobicContact CD2-CE1 3.69Å; L89-F118 HydrophobicContact CD2-CZ 3.79Å; I100-F118 HydrophobicContact CB-CE2 4.42Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.02Å; H101-F118 CarbonylContact C-O 3.54Å; H101-F118 WeakPolarHBondContact CA-O 3.16Å; H101-F118 PolarHBondContact CD2-O 2.78Å; G102-F118 VanDerWaalsContact CA-CE1 3.41Å; G102-F118 PolarHBondContact N-O 2.81Å; G102-F118 PolarHBondContact O-N 2.85Å; F118-R120 HydrophobicContact CD2-CB 4.32Å; F118-R120 HydrophobicContact CE2-CB 4.45Å |
| 119 | T | 94.6 | Very high | 90.5 | Very high | 88 Ų | 88 | 84 Ų | 84 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.2 | 169.1 | -50.3 | 0 | 0 | 0 | 0 | 108.5 | I99 I100 H101 | I99-T119 HydrophobicContact CG2-CG2 3.68Å; I100-T119 CarbonylContact O-C 3.57Å; H101-T119 PolarHBondContact CD2-OG1 2.76Å |
| 120 | R | 93.4 | Very high | 90.7 | Very high | 103 Ų | 103 | 83.9 Ų | 83.9 | 39% | 0.389 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 99.5 | 179.8 | -170.3 | 72.4 | -179.4 | -169.2 | 6.2 | 110.5 | V65 L79 I100 F118 Y122 | V65-R120 VanDerWaalsContact CG2-NE 3.3Å; L79-R120 HydrophobicContact CD1-CB 4.46Å; L79-R120 HydrophobicContact CD1-CG 4.38Å; L79-R120 HydrophobicContact CD2-CG 4.48Å; I100-R120 HydrophobicContact CB-CB 4.41Å; I100-R120 PolarHBondContact N-O 3.25Å; I100-R120 PolarHBondContact O-N 2.93Å; F118-R120 HydrophobicContact CD2-CB 4.32Å; F118-R120 HydrophobicContact CE2-CB 4.45Å; R120-Y122 HydrophobicContact CB-CE2 4.33Å; R120-Y122 HydrophobicContact CG-CD2 4.29Å; R120-Y122 HydrophobicContact CG-CE1 4.46Å; R120-Y122 HydrophobicContact CG-CE2 3.44Å; R120-Y122 VanDerWaalsContact CG-CE2 3.44Å; R120-Y122 WeakPolarHBondContact CG-OH 3.39Å |
| 121 | P | 93.7 | Very high | 90.8 | Very high | 83 Ų | 83 | 84.4 Ų | 84.4 | 54% | 0.539 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142.3 | 173.4 | 32.8 | -33.1 | 0 | 0 | 0 | 111.7 | L98 I99 | L98-P121 CarbonylContact O-C 3.49Å; L98-P121 WeakPolarHBondContact O-CA 3.45Å; I99-P121 HydrophobicContact CG1-CB 4.43Å |
| 122 | Y | 93.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 76.7 Ų | 76.7 | 9% | 0.086 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.7 | 172.6 | -67.9 | -77.2 | 0 | 0 | 0 | 109.8 | V68 D77 L79 G97 L98 I100 R120 | V68-Y122 HydrophobicContact CG2-CE1 4Å; D77-Y122 HydrophobicContact CB-CE2 4.46Å; D77-Y122 PolarHBondContact OD1-OH 2.86Å; D77-Y122 WeakPolarHBondContact OD2-CE2 3.35Å; D77-Y122 PolarHBondContact OD2-OH 2.83Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.48Å; G97-Y122 CarbonylContact C-O 3.59Å; G97-Y122 WeakPolarHBondContact CA-O 3.46Å; L98-Y122 HydrophobicContact CD2-CD2 4.11Å; L98-Y122 HydrophobicContact CG-CD2 4.45Å; L98-Y122 PolarHBondContact N-O 2.71Å; L98-Y122 PolarHBondContact O-N 3.22Å; I100-Y122 HydrophobicContact CD1-CE2 4.12Å; R120-Y122 HydrophobicContact CB-CE2 4.33Å; R120-Y122 HydrophobicContact CG-CD2 4.29Å; R120-Y122 HydrophobicContact CG-CE1 4.46Å; R120-Y122 HydrophobicContact CG-CE2 3.44Å; R120-Y122 VanDerWaalsContact CG-CE2 3.44Å; R120-Y122 WeakPolarHBondContact CG-OH 3.39Å |
| 123 | W | 91.9 | Very high | 91.3 | Very high | 171 Ų | 171 | 77 Ų | 77 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.4 | 168.1 | -63 | 105.4 | 0 | 0 | 0 | 108.9 | ||
| 124 | L | 91.5 | Very high | 91.5 | Very high | 25 Ų | 25 | 76.5 Ų | 76.5 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -80 | 136.6 | -176.7 | -59.6 | 177.9 | 0 | 0 | 0 | 110.7 | F75 D96 L98 V128 F133 | F75-L124 HydrophobicContact CD1-CD2 3.98Å; F75-L124 HydrophobicContact CE1-CD2 3.68Å; F75-L124 HydrophobicContact CZ-CD2 4.05Å; D96-L124 WeakPolarHBondContact O-CA 3.26Å; D96-L124 WeakPolarHBondContact O-CB 3.3Å; D96-L124 WeakPolarHBondContact O-CG 3.13Å; D96-L124 PolarHBondContact O-N 2.92Å; L98-L124 HydrophobicContact CB-CD1 4.31Å; L98-L124 HydrophobicContact CB-CD2 3.77Å; L98-L124 HydrophobicContact CB-CG 4.22Å; L124-V128 HydrophobicContact CB-CB 4.43Å; L124-V128 HydrophobicContact CD1-CG1 4.33Å; L124-F133 HydrophobicContact CD1-CE2 3.6Å; L124-F133 HydrophobicContact CD1-CZ 3.69Å; L124-F133 HydrophobicContact CD2-CE2 4.44Å; L124-F133 HydrophobicContact CD2-CZ 3.66Å; L124-F133 HydrophobicContact CG-CZ 4.34Å |
| 125 | P | 88.9 | Confident | 91.7 | Very high | 30 Ų | 30 | 78.5 Ų | 78.5 | 20% | 0.195 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 145.8 | 166.7 | -18.5 | 26.6 | 0 | 0 | 0 | 110.5 | N70 F75 G127 V128 | N70-P125 WeakPolarHBondContact OD1-CG 3.32Å; F75-P125 HydrophobicContact CD2-CG 3.88Å; F75-P125 HydrophobicContact CE2-CG 4.43Å; P125-G127 PolarHBondContact O-N 2.9Å; P125-V128 HydrophobicContact CB-CG2 4.24Å; P125-V128 HydrophobicContact CG-CG2 4.28Å; P125-V128 WeakPolarHBondContact O-CG2 3.45Å; P125-V128 PolarHBondContact O-N 3.04Å |
| 126 | K | 86.2 | Confident | 91.9 | Very high | 178 Ų | 178 | 77.8 Ų | 77.8 | 77% | 0.774 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 138.9 | 172.8 | -62.6 | -175.9 | 178.3 | -175.6 | 0 | 109.9 | L153 | K126-L153 HydrophobicContact CB-CD1 3.26Å; K126-L153 WeakPolarHBondContact O-CD1 3.4Å |
| 127 | G | 86.8 | Confident | 92 | Very high | 31 Ų | 31 | 77.5 Ų | 77.5 | 32% | 0.32 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -1.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P125 N129 K149 V150 | P125-G127 PolarHBondContact O-N 2.9Å; G127-N129 PolarHBondContact O-N 2.83Å; G127-K149 CarbonylContact O-C 3.55Å; G127-K149 WeakPolarHBondContact O-CA 3.38Å; G127-V150 PolarHBondContact O-N 2.95Å |
| 128 | V | 90.8 | Very high | 92 | Very high | 14 Ų | 14 | 73.9 Ų | 73.9 | 9% | 0.085 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 126.9 | 165.9 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | F75 L124 P125 P130 F133 A147 K149 | F75-V128 HydrophobicContact CB-CG2 3.81Å; F75-V128 HydrophobicContact CG-CG2 4.46Å; L124-V128 HydrophobicContact CB-CB 4.43Å; L124-V128 HydrophobicContact CD1-CG1 4.33Å; P125-V128 HydrophobicContact CB-CG2 4.24Å; P125-V128 HydrophobicContact CG-CG2 4.28Å; P125-V128 WeakPolarHBondContact O-CG2 3.45Å; P125-V128 PolarHBondContact O-N 3.04Å; V128-P130 WeakPolarHBondContact O-CD 3.3Å; V128-F133 HydrophobicContact CG1-CE2 3.83Å; V128-F133 HydrophobicContact CG1-CZ 3.75Å; V128-A147 HydrophobicContact CG1-CB 3.63Å; V128-K149 HydrophobicContact CG2-CG 3.87Å |
| 129 | N | 86.2 | Confident | 92 | Very high | 56 Ų | 56 | 79.7 Ų | 79.7 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | trans | -83.7 | 117.7 | 174 | -179.9 | 7.2 | 0 | 0 | 0 | 109.7 | G127 E131 S132 A148 V150 | G127-N129 PolarHBondContact O-N 2.83Å; N129-E131 PolarHBondContact O-N 3.24Å; N129-E131 PolarHBondContact OD1-N 3.29Å; N129-E131 VanDerWaalsContact OD1-N 3.08Å; N129-S132 WeakPolarHBondContact O-CB 3Å; N129-S132 PolarHBondContact O-N 3.3Å; N129-S132 PolarHBondContact O-OG 2.86Å; N129-A148 PolarHBondContact N-O 3.35Å; N129-V150 HydrophobicContact CB-CG2 3.8Å | ||
| 130 | P | 88.1 | Confident | 91.9 | Very high | 62 Ų | 62 | 79.9 Ų | 79.9 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -61.5 | -28.3 | 179.1 | 25.6 | -35 | 0 | 0 | 0 | 113.3 | V128 S132 F133 | V128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-S132 PolarHBondContact O-N 2.97Å; P130-F133 WeakPolarHBondContact O-CD2 3.49Å |
| 131 | E | 88.1 | Confident | 92 | Very high | 176 Ų | 176 | 75.6 Ų | 75.6 | 82% | 0.822 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -76.1 | -13.9 | 177.5 | -61.8 | -178.9 | 173.5 | 0 | 0 | 112.9 | N129 F133 | N129-E131 PolarHBondContact O-N 3.24Å; N129-E131 PolarHBondContact OD1-N 3.29Å; N129-E131 VanDerWaalsContact OD1-N 3.08Å; E131-F133 VanDerWaalsContact C-N 3.33Å |
| 132 | S | 91 | Very high | 92.1 | Very high | 29 Ų | 29 | 73.5 Ų | 73.5 | 20% | 0.203 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -88.1 | -0.8 | -178.7 | 77 | 0 | 0 | 0 | 0 | 114 | N129 P130 K134 A148 | N129-S132 WeakPolarHBondContact O-CB 3Å; N129-S132 PolarHBondContact O-N 3.3Å; N129-S132 PolarHBondContact O-OG 2.86Å; P130-S132 PolarHBondContact O-N 2.97Å; S132-K134 PolarHBondContact O-N 2.85Å; S132-A148 PolarHBondContact OG-N 3.02Å; S132-A148 PolarHBondContact OG-O 2.87Å |
| 133 | F | 94.1 | Very high | 92.2 | Very high | 37 Ų | 37 | 72.8 Ų | 72.8 | 16% | 0.162 | 39% | 0.388 | C | S | . | . | trans | -63.6 | 135.4 | 179.9 | -86.3 | -74.4 | 0 | 0 | 0 | 111.7 | F75 T93 L98 L124 V128 P130 E131 T145 E146 A147 | F75-F133 AromaticContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CZ 4.19Å; F75-F133 HydrophobicContact CE1-CE1 4.34Å; T93-F133 HydrophobicContact CG2-CD2 3.64Å; T93-F133 HydrophobicContact CG2-CE2 3.89Å; T93-F133 HydrophobicContact CG2-CG 4.36Å; L98-F133 HydrophobicContact CB-CZ 4.4Å; L98-F133 HydrophobicContact CD1-CD1 4.33Å; L98-F133 HydrophobicContact CD1-CE1 4.21Å; L98-F133 HydrophobicContact CD1-CZ 4.4Å; L98-F133 HydrophobicContact CD2-CE1 3.89Å; L98-F133 HydrophobicContact CD2-CZ 4.32Å; L124-F133 HydrophobicContact CD1-CE2 3.6Å; L124-F133 HydrophobicContact CD1-CZ 3.69Å; L124-F133 HydrophobicContact CD2-CE2 4.44Å; L124-F133 HydrophobicContact CD2-CZ 3.66Å; L124-F133 HydrophobicContact CG-CZ 4.34Å; V128-F133 HydrophobicContact CG1-CE2 3.83Å; V128-F133 HydrophobicContact CG1-CZ 3.75Å; P130-F133 WeakPolarHBondContact O-CD2 3.49Å; E131-F133 VanDerWaalsContact C-N 3.33Å; F133-T145 HydrophobicContact CD1-CG2 3.65Å; F133-T145 HydrophobicContact CE1-CG2 4.09Å; F133-E146 CarbonylContact C-O 3.59Å; F133-E146 VanDerWaalsContact CA-O 3.31Å; F133-E146 WeakPolarHBondContact CA-O 3.46Å; F133-A147 HydrophobicContact CD1-CB 3.5Å; F133-A147 VanDerWaalsContact CD1-CB 3.5Å; F133-A147 HydrophobicContact CD2-CB 4Å; F133-A147 HydrophobicContact CE1-CB 3.42Å; F133-A147 VanDerWaalsContact CE1-CB 3.42Å; F133-A147 HydrophobicContact CE2-CB 3.94Å; F133-A147 HydrophobicContact CG-CB 3.78Å; F133-A147 HydrophobicContact CZ-CB 3.64Å | ||
| 134 | K | 95.4 | Very high | 92.4 | Very high | 145 Ų | 145 | 66 Ų | 66 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139 | 171.6 | -63.7 | -179.1 | -178 | 179.2 | 0 | 108.4 | S132 T145 E146 | S132-K134 PolarHBondContact O-N 2.85Å; K134-T145 CarbonylContact O-C 3.54Å; K134-T145 WeakPolarHBondContact O-CA 3.21Å; K134-E146 HydrophobicContact CB-CG 4.32Å; K134-E146 PolarHBondContact N-O 3.18Å; K134-E146 PolarHBondContact O-N 3Å |
| 135 | S | 95.5 | Very high | 92.6 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.7 | 174.3 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | I91 T144 | I91-S135 VanDerWaalsContact CD1-CB 3.49Å; S135-T144 CarbonylContact C-O 3.55Å; S135-T144 WeakPolarHBondContact CA-O 3.35Å |
| 136 | N | 96.4 | Very high | 92.9 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 128.6 | 173.7 | -173 | -78.4 | 0 | 0 | 0 | 109 | T144 | N136-T144 PolarHBondContact N-O 3.18Å; N136-T144 PolarHBondContact O-N 2.8Å |
| 137 | L | 96.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 114.7 | 174.1 | -178.9 | 62 | 0 | 0 | 0 | 109.1 | V81 P86 L89 L143 | V81-L137 HydrophobicContact CG2-CD1 3.5Å; V81-L137 VanDerWaalsContact CG2-CD1 3.5Å; P86-L137 HydrophobicContact CB-CD2 4.06Å; P86-L137 HydrophobicContact CG-CD2 3.78Å; L89-L137 HydrophobicContact CD1-CD2 4.41Å; L137-L143 HydrophobicContact CD1-CB 4.21Å |
| 138 | S | 95.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 60 Ų | 60 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | trans | -75.9 | 153.4 | 177.6 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | N140 G141 L142 | S138-N140 WeakPolarHBondContact CB-OD1 3.5Å; S138-N140 PolarHBondContact O-N 2.9Å; S138-N140 VanDerWaalsContact O-N 3.09Å; S138-G141 PolarHBondContact O-N 3.34Å; S138-L142 PolarHBondContact N-O 2.84Å | ||
| 139 | P | 94.7 | Very high | 93.6 | Very high | 146 Ų | 146 | 61 Ų | 61 | 95% | 0.948 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15 | -178.2 | 26.5 | -36.1 | 0 | 0 | 0 | 114 | G141 | P139-G141 VanDerWaalsContact C-N 3.26Š|
| 140 | N | 93.2 | Very high | 93.5 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 8 | 172.9 | 63 | -8.1 | 0 | 0 | 0 | 113.3 | T82 S138 L142 | T82-N140 PolarHBondContact OG1-O 3.12Å; S138-N140 WeakPolarHBondContact CB-OD1 3.5Å; S138-N140 PolarHBondContact O-N 2.9Å; S138-N140 VanDerWaalsContact O-N 3.09Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.29Å; N140-L142 WeakPolarHBondContact OD1-CG 3.27Å; N140-L142 PolarHBondContact OD1-N 3.32Å |
| 141 | G | 94.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 83.4 | 13.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V81 T82 S138 P139 | V81-G141 CarbonylContact C-O 3.51Å; V81-G141 WeakPolarHBondContact CA-O 3.44Å; V81-G141 WeakPolarHBondContact CG2-O 3.44Å; V81-G141 PolarHBondContact N-O 2.88Å; T82-G141 PolarHBondContact N-O 2.99Å; S138-G141 PolarHBondContact O-N 3.34Å; P139-G141 VanDerWaalsContact C-N 3.26Å |
| 142 | L | 95.2 | Very high | 90.9 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.6 | 179.1 | -56.7 | -171.5 | 0 | 0 | 0 | 111.8 | L66 T78 L79 D80 S138 N140 | L66-L142 HydrophobicContact CD1-CD1 3.9Å; L66-L142 HydrophobicContact CD1-CD2 3.28Å; L66-L142 HydrophobicContact CD1-CG 4.16Å; T78-L142 HydrophobicContact CG2-CB 4.44Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.4Å; D80-L142 HydrophobicContact CB-CD2 4.08Å; S138-L142 PolarHBondContact N-O 2.84Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.29Å; N140-L142 WeakPolarHBondContact OD1-CG 3.27Å; N140-L142 PolarHBondContact OD1-N 3.32Å |
| 143 | L | 96.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 116 | 173.2 | 178 | 64.6 | 0 | 0 | 0 | 109.3 | T78 L79 V81 I91 I100 L137 | T78-L143 WeakPolarHBondContact CA-O 3.32Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.97Å; L79-L143 PolarHBondContact O-N 3.05Å; V81-L143 HydrophobicContact CG1-CB 4.28Å; V81-L143 HydrophobicContact CG2-CB 3.69Å; I91-L143 HydrophobicContact CD1-CD1 4.34Å; I91-L143 HydrophobicContact CD1-CD2 4.21Å; I100-L143 HydrophobicContact CD1-CD2 4.43Å; I100-L143 HydrophobicContact CG2-CD2 3.84Å; L137-L143 HydrophobicContact CD1-CB 4.21Å |
| 144 | T | 96.4 | Very high | 87.3 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 17% | 0.172 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.1 | 172.1 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | Q76 D77 S135 N136 | Q76-T144 HydrophobicContact CG-CG2 3.78Å; D77-T144 WeakPolarHBondContact O-CA 3.24Å; S135-T144 CarbonylContact C-O 3.55Å; S135-T144 WeakPolarHBondContact CA-O 3.35Å; N136-T144 PolarHBondContact N-O 3.18Å; N136-T144 PolarHBondContact O-N 2.8Å |
| 145 | T | 95.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.7 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 108.5 | Q76 D77 L98 F133 K134 | Q76-T145 CarbonylContact C-O 3.53Å; Q76-T145 VanDerWaalsContact CA-O 3.29Å; Q76-T145 WeakPolarHBondContact CA-O 3.22Å; D77-T145 PolarHBondContact N-O 3.09Å; D77-T145 PolarHBondContact O-N 3.08Å; L98-T145 HydrophobicContact CD1-CG2 4.26Å; L98-T145 HydrophobicContact CD2-CG2 3.82Å; F133-T145 HydrophobicContact CD1-CG2 3.65Å; F133-T145 HydrophobicContact CE1-CG2 4.09Å; K134-T145 CarbonylContact O-C 3.54Å; K134-T145 WeakPolarHBondContact O-CA 3.21Å |
| 146 | E | 95.1 | Very high | 84.4 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.5 | -177.1 | 63.9 | 172.8 | -172 | 0 | 0 | 112.5 | F75 Q76 F133 K134 | F75-E146 CarbonylContact O-C 3.51Å; F75-E146 VanDerWaalsContact O-CA 3.29Å; F75-E146 WeakPolarHBondContact O-CA 3.42Å; Q76-E146 HydrophobicContact CB-CB 4.15Å; Q76-E146 HydrophobicContact CG-CB 4.15Å; F133-E146 CarbonylContact C-O 3.59Å; F133-E146 VanDerWaalsContact CA-O 3.31Å; F133-E146 WeakPolarHBondContact CA-O 3.46Å; K134-E146 HydrophobicContact CB-CG 4.32Å; K134-E146 PolarHBondContact N-O 3.18Å; K134-E146 PolarHBondContact O-N 3Å |
| 147 | A | 94.4 | Very high | 83.5 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K74 F75 V128 F133 | K74-A147 CarbonylContact C-O 3.58Å; K74-A147 VanDerWaalsContact CA-O 3.26Å; K74-A147 WeakPolarHBondContact CA-O 3.19Å; K74-A147 WeakPolarHBondContact CB-O 3.4Å; F75-A147 PolarHBondContact N-O 3.48Å; F75-A147 PolarHBondContact O-N 2.81Å; V128-A147 HydrophobicContact CG1-CB 3.63Å; F133-A147 HydrophobicContact CD1-CB 3.5Å; F133-A147 VanDerWaalsContact CD1-CB 3.5Å; F133-A147 HydrophobicContact CD2-CB 4Å; F133-A147 HydrophobicContact CE1-CB 3.42Å; F133-A147 VanDerWaalsContact CE1-CB 3.42Å; F133-A147 HydrophobicContact CE2-CB 3.94Å; F133-A147 HydrophobicContact CG-CB 3.78Å; F133-A147 HydrophobicContact CZ-CB 3.64Å |
| 148 | A | 92.3 | Very high | 82.7 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 43% | 0.43 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N129 S132 | N129-A148 PolarHBondContact N-O 3.35Å; S132-A148 PolarHBondContact OG-N 3.02Å; S132-A148 PolarHBondContact OG-O 2.87Å |
| 149 | K | 91.2 | Very high | 82.3 | Confident | 35 Ų | 35 | 86 Ų | 86 | 15% | 0.152 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -90.5 | 128.8 | 168.5 | -68 | -174.6 | -176.3 | 176.2 | 0 | 109.7 | N70 D71 K73 G127 V128 G151 | N70-K149 WeakPolarHBondContact OD1-CE 3.39Å; N70-K149 PolarHBondContact OD1-NZ 3.13Å; D71-K149 WeakPolarHBondContact O-CD 3.27Å; D71-K149 WeakPolarHBondContact O-CE 3.34Å; D71-K149 PolarHBondContact O-NZ 2.63Å; K73-K149 PolarHBondContact O-N 3.5Å; G127-K149 CarbonylContact O-C 3.55Å; G127-K149 WeakPolarHBondContact O-CA 3.38Å; V128-K149 HydrophobicContact CG2-CG 3.87Å; K149-G151 PolarHBondContact O-N 2.77Å |
| 150 | V | 83 | Confident | 82 | Confident | 97 Ų | 97 | 86 Ų | 86 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | trans | -71.7 | 111.8 | 171.5 | -173.4 | 0 | 0 | 0 | 0 | 107 | G127 N129 | G127-V150 PolarHBondContact O-N 2.95Å; N129-V150 HydrophobicContact CB-CG2 3.8Å | ||
| 151 | G | 67.3 | Low | 81.9 | Confident | 64 Ų | 64 | 86.1 Ų | 86.1 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -58.2 | 147.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K149 | K149-G151 PolarHBondContact O-N 2.77Š|
| 152 | R | 55.1 | Low | 81.7 | Confident | 208 Ų | 208 | 93.2 Ų | 93.2 | 79% | 0.785 | 50% | 0.499 | S | S | * | . | trans | 72 | 65.2 | 179.3 | -64.2 | -161.3 | -177.2 | -155.6 | 1.7 | 117.2 | H154 | R152-H154 WeakPolarHBondContact CD-NE2 3.07Å; R152-H154 PolarHBondContact O-N 3.01Å | ||
| 153 | L | 55.3 | Low | 81.6 | Confident | 107 Ų | 107 | 100.3 Ų | 100.3 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | trans | -74.1 | 102.8 | 134.4 | -90.6 | 150.3 | 0 | 0 | 0 | 107.7 | K126 S155 | K126-L153 HydrophobicContact CB-CD1 3.26Å; K126-L153 WeakPolarHBondContact O-CD1 3.4Å; L153-S155 PolarHBondContact O-N 2.84Å | ||
| 154 | H | 55.2 | Low | 81.2 | Confident | 134 Ų | 134 | 111.4 Ų | 111.4 | 62% | 0.62 | 57% | 0.57 | S | S | * | * | trans | -57.5 | 102.4 | 167.4 | -48.5 | 120.8 | 0 | 0 | 0 | 107.5 | R152 V156 | R152-H154 WeakPolarHBondContact CD-NE2 3.07Å; R152-H154 PolarHBondContact O-N 3.01Å; H154-V156 PolarHBondContact O-N 3.15Å | ||
| 155 | S | 59.3 | Low | 80.8 | Confident | 102 Ų | 102 | 114.8 Ų | 114.8 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | trans | -66.1 | 94.8 | 163.6 | 51 | 0 | 0 | 0 | 0 | 106 | L153 D157 | L153-S155 PolarHBondContact O-N 2.84Å; S155-D157 PolarHBondContact O-N 2.71Å; S155-D157 VanDerWaalsContact O-N 3.08Å | ||
| 156 | V | 69 | Low | 80.2 | Confident | 93 Ų | 93 | 124.7 Ų | 124.7 | 56% | 0.564 | 64% | 0.644 | S | S | * | * | trans | -67.4 | 109.8 | 169.8 | -179.9 | 0 | 0 | 0 | 0 | 105.5 | H154 H158 | H154-V156 PolarHBondContact O-N 3.15Å; V156-H158 VanDerWaalsContact CG1-CE1 3.42Å; V156-H158 WeakPolarHBondContact CG1-CE1 3.29Å; V156-H158 PolarHBondContact O-CD2 3.25Å; V156-H158 PolarHBondContact O-N 3.21Å | ||
| 157 | D | 78 | Confident | 79.4 | Confident | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | trans | -61.8 | 105.5 | 174.4 | -72.2 | -21.9 | 0 | 0 | 0 | 108.6 | S155 | S155-D157 PolarHBondContact O-N 2.71Å; S155-D157 VanDerWaalsContact O-N 3.08Å | ||
| 158 | H | 78.8 | Confident | 78.6 | Confident | 152 Ų | 152 | 140.5 Ų | 140.5 | 70% | 0.704 | 72% | 0.715 | S | S | * | * | trans | -93.2 | 106 | 177.1 | -64.9 | -68.2 | 0 | 0 | 0 | 109.4 | V156 I160 | V156-H158 VanDerWaalsContact CG1-CE1 3.42Å; V156-H158 WeakPolarHBondContact CG1-CE1 3.29Å; V156-H158 PolarHBondContact O-CD2 3.25Å; V156-H158 PolarHBondContact O-N 3.21Å; H158-I160 PolarHBondContact O-N 3.39Å | ||
| 159 | K | 88.6 | Confident | 77.9 | Confident | 200 Ų | 200 | 145.1 Ų | 145.1 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | -68.2 | 113.1 | 172.8 | -173.5 | 177.8 | -177.6 | 175.8 | 0 | 109.7 | P161 | K159-P161 VanDerWaalsContact O-CD 3.27Å; K159-P161 WeakPolarHBondContact O-CD 3.31Å | ||
| 160 | I | 88.3 | Confident | 77.2 | Confident | 146 Ų | 146 | 151.2 Ų | 151.2 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | -89.6 | 109.5 | 175.1 | -56.2 | 173.3 | 0 | 0 | 0 | 108.6 | H158 I162 | H158-I160 PolarHBondContact O-N 3.39Å; I160-I162 PolarHBondContact O-N 3.41Å | ||
| 161 | P | 90.1 | Very high | 76.8 | Confident | 95 Ų | 95 | 154.4 Ų | 154.4 | 62% | 0.617 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -74 | 128 | 178.4 | 29.7 | -33.5 | 0 | 0 | 0 | 111 | K159 | K159-P161 VanDerWaalsContact O-CD 3.27Å; K159-P161 WeakPolarHBondContact O-CD 3.31Å |
| 162 | I | 89.8 | Confident | 77.4 | Confident | 163 Ų | 163 | 160.1 Ų | 160.1 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 117.8 | 172.3 | -57.9 | 172.8 | 0 | 0 | 0 | 108.6 | I160 | I160-I162 PolarHBondContact O-N 3.41Š|
| 163 | K | 93.5 | Very high | 78.9 | Confident | 188 Ų | 188 | 156.9 Ų | 156.9 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 129.8 | 170.7 | -65.5 | -178 | -179.1 | 177.7 | 0 | 109.1 | ||
| 164 | R | 89 | Confident | 80.6 | Confident | 239 Ų | 239 | 160.4 Ų | 160.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 135.8 | 170.7 | -66.7 | -176.7 | 179.2 | -177.4 | -0.4 | 109.1 | ||
| 165 | A | 86.9 | Confident | 82.6 | Confident | 100 Ų | 100 | 162.5 Ų | 162.5 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 135.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 166 | K | 83.9 | Confident | 84.5 | Confident | 208 Ų | 208 | 167.5 Ų | 167.5 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 132.8 | 171.9 | -69.9 | -174.6 | 177.2 | -178.6 | 0 | 108.5 | ||
| 167 | K | 78.1 | Confident | 85.9 | Confident | 276 Ų | 276 | 174.3 Ų | 174.3 | 100% | 1.2 | 84% | 0.839 | S | S | * | * | trans | -75.8 | 0 | 173.2 | -174.5 | 176.9 | 179.6 | 178.3 | 0 | 110.3 |
Retrieved 167 of 167 residues in 175.1 ms
(Link to these results)