| 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 | 47.4 | Very low | 43 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 100% | 1.177 | 86% | 0.862 | S | S | * | * | 0 | 117.3 | 0 | -64.3 | -168.2 | -173.8 | 0 | 0 | 106.9 | |||||
| 2 | P | 46.4 | Very low | 42.7 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 86% | 0.864 | 86% | 0.86 | S | S | * | * | -131.9 | 164.7 | 93.1 | 22 | -2 | 0 | 0 | 0 | 113.6 | |||||
| 3 | S | 37.4 | Very low | 42.3 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 79% | 0.79 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 136.8 | -166.9 | 50 | 0 | 0 | 0 | 0 | 116 | ||
| 4 | K | 44.5 | Very low | 41.9 | Very low | 202 Ų | 202 | 157.2 Ų | 157.2 | 88% | 0.878 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 137.4 | 162.6 | -81.9 | 177.2 | 172.6 | 177.2 | 0 | 110.9 | ||
| 5 | P | 47.4 | Very low | 41.8 | Very low | 125 Ų | 125 | 158.7 Ų | 158.7 | 81% | 0.812 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 141.6 | 165.8 | 13 | -1.8 | 0 | 0 | 0 | 111.5 | ||
| 6 | A | 49.4 | Very low | 41.7 | Very low | 87 Ų | 87 | 156.5 Ų | 156.5 | 72% | 0.719 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 155.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 7 | P | 43 | Very low | 41.6 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 81% | 0.805 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 133.7 | -178.9 | 29.8 | -32.5 | 0 | 0 | 0 | 112.3 | K9 | P7-K9 PolarHBondContact O-N 3.39Š|
| 8 | I | 42.3 | Very low | 41.4 | Very low | 167 Ų | 167 | 161.2 Ų | 161.2 | 86% | 0.856 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 119 | 173 | -62.1 | 171.1 | 0 | 0 | 0 | 108.8 | K10 | I8-K10 PolarHBondContact O-N 2.83Š|
| 9 | K | 40 | Very low | 41.3 | Very low | 197 Ų | 197 | 163.4 Ų | 163.4 | 86% | 0.857 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123.1 | 173.4 | -72.1 | -179.9 | 176.1 | 179.6 | 0 | 109.8 | P7 A11 | P7-K9 PolarHBondContact O-N 3.39Å; K9-A11 PolarHBondContact O-N 2.69Å |
| 10 | K | 37.4 | Very low | 41.4 | Very low | 206 Ų | 206 | 165 Ų | 165 | 90% | 0.896 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.3 | 166.5 | -78.1 | -179.9 | 175.4 | 179.2 | 0 | 109.1 | I8 A12 | I8-K10 PolarHBondContact O-N 2.83Å; K10-A12 PolarHBondContact O-N 3.08Å |
| 11 | A | 37.6 | Very low | 41.5 | Very low | 100 Ų | 100 | 166.1 Ų | 166.1 | 83% | 0.826 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | K9 K13 | K9-A11 PolarHBondContact O-N 2.69Å; A11-K13 PolarHBondContact O-N 3.16Å |
| 12 | A | 39.4 | Very low | 41.3 | Very low | 101 Ų | 101 | 164 Ų | 164 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | trans | -65.8 | 115.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | K10 K14 | K10-A12 PolarHBondContact O-N 3.08Å; A12-K14 PolarHBondContact O-N 2.96Å | ||
| 13 | K | 37.2 | Very low | 41.4 | Very low | 206 Ų | 206 | 161.6 Ų | 161.6 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | trans | -78.1 | 106 | 171.6 | -152.4 | 177.2 | -174.8 | -176.8 | 0 | 106.9 | A11 E15 | A11-K13 PolarHBondContact O-N 3.16Å; K13-E15 PolarHBondContact O-N 3.28Å | ||
| 14 | K | 37.3 | Very low | 41.9 | Very low | 201 Ų | 201 | 162.1 Ų | 162.1 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.2 | 175.6 | -149.9 | 177.8 | -176.7 | -172.2 | 0 | 108.4 | A12 | A12-K14 PolarHBondContact O-N 2.96Š|
| 15 | E | 40.7 | Very low | 42.5 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.3 | 167.8 | -78.8 | 178.1 | 133.7 | 0 | 0 | 109.4 | K13 | K13-E15 PolarHBondContact O-N 3.28Š|
| 16 | P | 40.1 | Very low | 42.6 | Very low | 123 Ų | 123 | 160.8 Ų | 160.8 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 128 | 170.5 | 28.6 | -29.1 | 0 | 0 | 0 | 109.7 | K18 | P16-K18 PolarHBondContact O-N 2.81Š|
| 17 | E | 39.5 | Very low | 43 | Very low | 189 Ų | 189 | 160.9 Ų | 160.9 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 127 | 170.2 | -75 | 170.8 | 128.9 | 0 | 0 | 110.4 | K19 | E17-K19 PolarHBondContact O-N 3.01Å; E17-K19 VanDerWaalsContact O-N 3.1Å |
| 18 | K | 38.4 | Very low | 43.6 | Very low | 208 Ų | 208 | 160.9 Ų | 160.9 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | -63.2 | 107.7 | 163.8 | -85.2 | -178.9 | 173.8 | 179.9 | 0 | 108 | P16 E20 | P16-K18 PolarHBondContact O-N 2.81Å; K18-E20 PolarHBondContact O-N 2.93Å | ||
| 19 | K | 39.8 | Very low | 44.3 | Very low | 203 Ų | 203 | 161.8 Ų | 161.8 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -66.7 | 111.3 | 157.3 | -90.2 | -176.5 | 172.6 | -177.8 | 0 | 107.7 | E17 E21 | E17-K19 PolarHBondContact O-N 3.01Å; E17-K19 VanDerWaalsContact O-N 3.1Å; K19-E21 PolarHBondContact O-N 3.3Å | ||
| 20 | E | 43.8 | Very low | 45 | Very low | 195 Ų | 195 | 158.2 Ų | 158.2 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | trans | -63.9 | 107.9 | 161.8 | -115.6 | 174.6 | 154.6 | 0 | 0 | 107.9 | K18 K22 | K18-E20 PolarHBondContact O-N 2.93Å; E20-K22 PolarHBondContact O-N 3.28Å | ||
| 21 | E | 41.5 | Very low | 46.1 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -79 | 105.2 | 171.9 | -165.2 | 171 | 171.9 | 0 | 0 | 107.8 | K19 A23 | K19-E21 PolarHBondContact O-N 3.3Å; E21-A23 PolarHBondContact O-N 2.84Å | ||
| 22 | K | 43.4 | Very low | 46.7 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 123.3 | 175.7 | -171.4 | -179.5 | 180 | -171.4 | 0 | 108.8 | E20 | E20-K22 PolarHBondContact O-N 3.28Š|
| 23 | A | 49.5 | Very low | 47.4 | Very low | 83 Ų | 83 | 157.7 Ų | 157.7 | 69% | 0.686 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 139.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E21 E25 | E21-A23 PolarHBondContact O-N 2.84Å; A23-E25 PolarHBondContact O-N 2.99Å |
| 24 | P | 47.3 | Very low | 48 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.9 | 176.2 | 26.5 | -31.7 | 0 | 0 | 0 | 110.3 | ||
| 25 | E | 58.2 | Low | 48.5 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 138.3 | 176.6 | -145.3 | 167 | -170.1 | 0 | 0 | 110 | A23 A27 | A23-E25 PolarHBondContact O-N 2.99Å; E25-A27 PolarHBondContact O-N 2.77Å |
| 26 | P | 48.7 | Very low | 48.6 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 135.1 | 176.9 | 25.8 | -32 | 0 | 0 | 0 | 110.2 | ||
| 27 | A | 58.9 | Low | 48.8 | Very low | 88 Ų | 88 | 146.6 Ų | 146.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E25 | E25-A27 PolarHBondContact O-N 2.77Š|
| 28 | P | 54.4 | Low | 48.8 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.5 | 177.4 | 25.9 | -32.9 | 0 | 0 | 0 | 110.6 | ||
| 29 | E | 57.9 | Low | 49 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 140.7 | 175.4 | -76.4 | -176.8 | 147.9 | 0 | 0 | 111.2 | ||
| 30 | P | 54.8 | Low | 48.9 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136.4 | 173.6 | 27.2 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 31 | A | 58.7 | Low | 48.6 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 144.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E33 | A31-E33 PolarHBondContact O-N 3.49Š|
| 32 | P | 50.4 | Low | 48.4 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64 | 133.2 | 179.3 | 25.7 | -32.9 | 0 | 0 | 0 | 110.9 | ||
| 33 | E | 54.4 | Low | 47.9 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142 | 172.1 | -75.4 | -177.2 | 147.3 | 0 | 0 | 110.9 | A31 A35 | A31-E33 PolarHBondContact O-N 3.49Å; E33-A35 PolarHBondContact O-N 3.24Å |
| 34 | P | 49.9 | Very low | 47.2 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 133.6 | 174.4 | 27.2 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 35 | A | 48.9 | Very low | 46.8 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 148.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E33 V37 | E33-A35 PolarHBondContact O-N 3.24Å; A35-V37 PolarHBondContact O-N 3.24Å |
| 36 | P | 41.4 | Very low | 45.9 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 134.5 | 175.9 | 27 | -31.9 | 0 | 0 | 0 | 110.2 | E38 | P36-E38 PolarHBondContact O-N 3.12Š|
| 37 | V | 44.7 | Very low | 45.1 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -71.1 | 115.1 | 172 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | A35 E39 | A35-V37 PolarHBondContact O-N 3.24Å; V37-E39 PolarHBondContact O-N 2.94Å | ||
| 38 | E | 39.3 | Very low | 43.9 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.1 | 168.5 | -84.1 | -175.9 | 131.3 | 0 | 0 | 109.8 | P36 A40 | P36-E38 PolarHBondContact O-N 3.12Å; E38-A40 PolarHBondContact O-N 2.73Å |
| 39 | E | 42.7 | Very low | 42.8 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 120.1 | 158.2 | -80.9 | -175.2 | 144.5 | 0 | 0 | 108.8 | V37 | V37-E39 PolarHBondContact O-N 2.94Š|
| 40 | A | 38.1 | Very low | 41.5 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 148.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E38 | E38-A40 PolarHBondContact O-N 2.73Š|
| 41 | P | 37.5 | Very low | 40.5 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 162.1 | -162.3 | 35.4 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 42 | A | 37.7 | Very low | 39.9 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 137.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 43 | E | 33.1 | Very low | 39.1 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | -119.2 | 133.4 | 167 | -154.3 | 176.1 | 178.8 | 0 | 0 | 110.2 | ||||
| 44 | A | 34 | Very low | 38 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -82.7 | 169.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | A | 38.9 | Very low | 37 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -46 | 169.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 46 | P | 39.1 | Very low | 36.2 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | -138.7 | 163.9 | 107.5 | 34.5 | -20.3 | 0 | 0 | 0 | 114.9 | |||||
| 47 | A | 32.6 | Very low | 35.7 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | trans | -106.1 | 164.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 48 | E | 33.3 | Very low | 36.3 | Very low | 204 Ų | 204 | 127 Ų | 127 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | 68.5 | 146.6 | 161.1 | -53.2 | -168.1 | 145.7 | 0 | 0 | 117.8 | ||||
| 49 | G | 30.7 | Very low | 36 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | cis | -144 | -177 | -2.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 50 | E | 30.3 | Very low | 35.6 | Very low | 198 Ų | 198 | 122.9 Ų | 122.9 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | cis | -168.8 | 152.8 | 46.8 | -85.9 | 177.6 | 118.4 | 0 | 0 | 108.2 | ||||
| 51 | A | 34.9 | Very low | 35.4 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -78.9 | 178.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 52 | P | 46.3 | Very low | 35.4 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | cis | -152.2 | -179.3 | 37.4 | 39.7 | -16.1 | 0 | 0 | 0 | 118.2 | ||||
| 53 | A | 32.3 | Very low | 35.6 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | 68.7 | 149.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 54 | E | 31.5 | Very low | 36.2 | Very low | 197 Ų | 197 | 121.7 Ų | 121.7 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | cis | -177.6 | 151.4 | -11.6 | -178.2 | -176.7 | 175.2 | 0 | 0 | 103.8 | ||||
| 55 | G | 29.8 | Very low | 36.4 | Very low | 72 Ų | 72 | 121.9 Ų | 121.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 127.4 | 114.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 56 | A | 31.4 | Very low | 36.7 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 81.6 | 116.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 57 | A | 32 | Very low | 37.3 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -82.5 | -167.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 58 | P | 57.5 | Low | 38.3 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | -129.6 | 174.9 | -52.8 | 31.7 | -13.6 | 0 | 0 | 0 | 112.5 | |||||
| 59 | A | 31.7 | Very low | 39.4 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | 177.2 | 110.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 60 | E | 35.4 | Very low | 40.7 | Very low | 202 Ų | 202 | 123.8 Ų | 123.8 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | 64.3 | 116 | 105.5 | -71.7 | -163.6 | 149.3 | 0 | 0 | 116 | |||||
| 61 | G | 34.1 | Very low | 42.2 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -170.7 | 118.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 62 | E | 35.7 | Very low | 43.3 | Very low | 194 Ų | 194 | 124.6 Ų | 124.6 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | -61.9 | 157.2 | -165 | -73.4 | 162.6 | 114.4 | 0 | 0 | 116.8 | ||||
| 63 | A | 43 | Very low | 43.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -60.5 | 160.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 64 | P | 44.7 | Very low | 45.6 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | -138.1 | 140.4 | 123.1 | 31.1 | -15.3 | 0 | 0 | 0 | 114.9 | |||||
| 65 | A | 39.8 | Very low | 47.1 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | 50.7 | 104.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 66 | E | 45.2 | Very low | 48.6 | Very low | 196 Ų | 196 | 128.1 Ų | 128.1 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -36.8 | 129.7 | 154.6 | -166.9 | 175.6 | 170.1 | 0 | 0 | 115.2 | ||||
| 67 | A | 50.7 | Low | 50.3 | Low | 85 Ų | 85 | 128.3 Ų | 128.3 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -112.4 | 142.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 68 | P | 53.8 | Low | 52 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 143.6 | -166.9 | 27.7 | -33.4 | 0 | 0 | 0 | 112.8 | ||
| 69 | A | 56.9 | Low | 52.5 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 140.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 70 | P | 57.7 | Low | 54.2 | Low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 134.8 | 170.4 | 28.9 | -31.7 | 0 | 0 | 0 | 110.5 | ||
| 71 | E | 62 | Low | 55.9 | Low | 181 Ų | 181 | 125.8 Ų | 125.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 145.7 | 174.7 | -66.6 | 178.6 | 153.2 | 0 | 0 | 112 | K73 | E71-K73 PolarHBondContact O-N 2.86Š|
| 72 | P | 58.1 | Low | 58.1 | Low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 122.2 | 178.4 | 26 | -31.8 | 0 | 0 | 0 | 110.3 | ||
| 73 | K | 58.6 | Low | 60.4 | Low | 193 Ų | 193 | 125.2 Ų | 125.2 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.6 | 170.9 | -72.9 | -177.6 | 178.9 | 179.4 | 0 | 109.7 | E71 | E71-K73 PolarHBondContact O-N 2.86Š|
| 74 | P | 68.8 | Low | 62.5 | Low | 110 Ų | 110 | 123.9 Ų | 123.9 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 146.5 | 174.7 | 23.7 | -31.8 | 0 | 0 | 0 | 110.3 | T76 | P74-T76 PolarHBondContact O-N 2.85Å; P74-T76 VanDerWaalsContact O-N 3.16Å |
| 75 | P | 62 | Low | 64.6 | Low | 126 Ų | 126 | 118.1 Ų | 118.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 123.1 | 178.4 | 24 | -32.2 | 0 | 0 | 0 | 109.2 | ||
| 76 | T | 61.6 | Low | 67.1 | Low | 126 Ų | 126 | 115.2 Ų | 115.2 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 135.2 | 168.1 | 36 | 0 | 0 | 0 | 0 | 108.9 | P74 | P74-T76 PolarHBondContact O-N 2.85Å; P74-T76 VanDerWaalsContact O-N 3.16Å |
| 77 | P | 67.8 | Low | 69.4 | Low | 110 Ų | 110 | 107.3 Ų | 107.3 | 71% | 0.714 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 141.8 | 172.6 | 23.7 | -31.8 | 0 | 0 | 0 | 108.9 | ||
| 78 | P | 67.1 | Low | 71.5 | Confident | 116 Ų | 116 | 103.4 Ų | 103.4 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 137.3 | 178.2 | 22.2 | -31.7 | 0 | 0 | 0 | 109 | ||
| 79 | P | 66.9 | Low | 73.5 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 71% | 0.714 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 146 | 175.1 | 23.9 | -32.6 | 0 | 0 | 0 | 109.1 | ||
| 80 | P | 68.8 | Low | 75.2 | Confident | 111 Ų | 111 | 100.3 Ų | 100.3 | 72% | 0.721 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 145.6 | 177.1 | 23 | -32.6 | 0 | 0 | 0 | 110 | K82 | P80-K82 PolarHBondContact O-N 2.87Š|
| 81 | P | 71.5 | Confident | 77 | Confident | 122 Ų | 122 | 95.1 Ų | 95.1 | 79% | 0.792 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.2 | 178.6 | 23.2 | -31.8 | 0 | 0 | 0 | 109.3 | E83 | P81-E83 PolarHBondContact O-N 2.84Š|
| 82 | K | 80.3 | Confident | 78.6 | Confident | 108 Ų | 108 | 91.5 Ų | 91.5 | 47% | 0.47 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 133.6 | 178.6 | -63.5 | 177.1 | -178 | -178 | 0 | 108.7 | P80 E164 G165 | P80-K82 PolarHBondContact O-N 2.87Å; K82-E164 HydrophobicContact CD-CB 3.6Å; K82-E164 HydrophobicContact CD-CG 4.44Å; K82-E164 VanDerWaalsContact CD-OE2 3.31Å; K82-E164 WeakPolarHBondContact CD-OE2 3.29Å; K82-E164 WeakPolarHBondContact CE-OE2 3.13Å; K82-E164 IonicContact NZ-OE1 2.69Å; K82-E164 PolarHBondContact NZ-OE1 3.14Å; K82-E164 IonicContact NZ-OE2 2.58Å; K82-E164 PolarHBondContact NZ-OE2 3.26Å; K82-G165 WeakPolarHBondContact O-CA 3.31Å |
| 83 | E | 82.8 | Confident | 80.2 | Confident | 154 Ų | 154 | 87.8 Ų | 87.8 | 72% | 0.72 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 141.4 | 179.8 | -66.8 | -173.3 | 168.6 | 0 | 0 | 111.1 | P81 N163 | P81-E83 PolarHBondContact O-N 2.84Å; E83-N163 PolarHBondContact O-ND2 3.11Å |
| 84 | P | 86.6 | Confident | 81.8 | Confident | 65 Ų | 65 | 82.5 Ų | 82.5 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 156.6 | 174.2 | 29 | -34.2 | 0 | 0 | 0 | 111.5 | N163 | P84-N163 WeakPolarHBondContact CA-OD1 3.41Š|
| 85 | T | 89.5 | Confident | 82.5 | Confident | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.018 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -66 | 161.8 | 174.4 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | T110 I111 L116 A161 N163 S168 | T85-T110 CarbonylContact C-O 3.57Å; T85-T110 VanDerWaalsContact CA-O 3.3Å; T85-T110 WeakPolarHBondContact CA-O 3.14Å; T85-T110 WeakPolarHBondContact CB-O 3.47Å; T85-I111 HydrophobicContact CG2-CG2 4.44Å; T85-L116 HydrophobicContact CG2-CD1 4.07Å; T85-A161 WeakPolarHBondContact OG1-CB 3.45Å; T85-N163 HydrophobicContact CG2-CB 3.79Å; T85-N163 WeakPolarHBondContact CG2-ND2 3.31Å; T85-N163 PolarHBondContact N-ND2 3.42Å; T85-S168 WeakPolarHBondContact O-CB 3.18Å; T85-S168 WeakPolarHBondContact OG1-CB 3.38Å |
| 86 | S | 92.3 | Very high | 83.5 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 25% | 0.245 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 171.8 | 162.1 | 57 | 0 | 0 | 0 | 0 | 111.5 | P108 E109 T110 S168 | S86-P108 VanDerWaalsContact O-CB 3.27Å; S86-P108 WeakPolarHBondContact O-CB 3.36Å; S86-P108 WeakPolarHBondContact O-CG 3.19Å; S86-E109 PolarHBondContact OG-N 2.87Å; S86-T110 WeakPolarHBondContact CB-OG1 3.49Å; S86-T110 PolarHBondContact N-O 2.91Å; S86-T110 PolarHBondContact OG-N 2.85Å; S86-T110 PolarHBondContact OG-O 2.93Å; S86-T110 PolarHBondContact OG-OG1 2.99Å; S86-S168 VanDerWaalsContact O-CB 3.23Å; S86-S168 WeakPolarHBondContact O-CB 3.22Å |
| 87 | A | 93.8 | Very high | 84 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 25% | 0.248 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 147.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P169 | A87-P169 WeakPolarHBondContact CA-O 3.46Å; A87-P169 HydrophobicContact CB-CB 4.43Å; A87-P169 WeakPolarHBondContact CB-O 3.3Å |
| 88 | P | 95.1 | Very high | 84.4 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.013 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 158.5 | 166.4 | -8.8 | 19.9 | 0 | 0 | 0 | 110.8 | W105 S106 Y119 V159 A161 V171 | P88-W105 HydrophobicContact CB-CG 4.42Å; P88-S106 WeakPolarHBondContact CB-O 3.28Å; P88-Y119 HydrophobicContact CB-CE1 4.25Å; P88-Y119 HydrophobicContact CG-CD1 4.05Å; P88-Y119 HydrophobicContact CG-CE1 3.97Å; P88-V159 HydrophobicContact CG-CB 4.43Å; P88-V159 HydrophobicContact CG-CG1 4.03Å; P88-A161 HydrophobicContact CG-CB 4.07Å; P88-V171 HydrophobicContact CB-CG1 3.76Å; P88-V171 HydrophobicContact CG-CG1 3.89Å; P88-V171 WeakPolarHBondContact O-CB 3.24Å; P88-V171 WeakPolarHBondContact O-CG1 3.33Å |
| 89 | V | 94.6 | Very high | 85.1 | Confident | 44 Ų | 44 | 71.5 Ų | 71.5 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 170.9 | -179.2 | -59 | 0 | 0 | 0 | 0 | 111.1 | L91 S106 E109 | V89-L91 VanDerWaalsContact C-N 3.31Å; V89-L91 PolarHBondContact O-N 3.48Å; V89-S106 PolarHBondContact N-O 2.95Å; V89-S106 VanDerWaalsContact N-O 3.15Å; V89-S106 WeakPolarHBondContact O-CB 3.31Å; V89-S106 PolarHBondContact O-N 2.88Å; V89-E109 HydrophobicContact CG1-CG 4.43Å |
| 90 | D | 93.5 | Very high | 86 | Confident | 108 Ų | 108 | 66.9 Ų | 66.9 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 41.4 | 176.1 | -51.4 | -39 | 0 | 0 | 0 | 115.3 | F92 S106 | D90-F92 VanDerWaalsContact O-CD1 3.26Å; D90-F92 WeakPolarHBondContact O-CD1 3.35Å; D90-F92 PolarHBondContact O-N 3.09Å; D90-S106 PolarHBondContact OD2-OG 2.97Å; D90-S106 VanDerWaalsContact OD2-OG 3.09Å |
| 91 | L | 96.1 | Very high | 87 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120.3 | 174.4 | 177.8 | 64 | 0 | 0 | 0 | 110.3 | V89 I103 I104 W105 V159 V171 L173 | V89-L91 VanDerWaalsContact C-N 3.31Å; V89-L91 PolarHBondContact O-N 3.48Å; L91-I103 HydrophobicContact CD1-CB 4.14Å; L91-I103 HydrophobicContact CD1-CD1 4.15Å; L91-I104 WeakPolarHBondContact CA-O 3.5Å; L91-W105 HydrophobicContact CB-CB 4.28Å; L91-W105 HydrophobicContact CD1-CB 4Å; L91-W105 HydrophobicContact CD1-CE3 4.27Å; L91-V159 HydrophobicContact CD1-CG2 3.7Å; L91-V159 HydrophobicContact CD2-CG2 4.03Å; L91-V171 HydrophobicContact CB-CG1 4.01Å; L91-V171 HydrophobicContact CB-CG2 3.88Å; L91-V171 HydrophobicContact CD2-CG1 4.13Å; L91-V171 WeakPolarHBondContact CD2-O 3.27Å; L91-L173 HydrophobicContact CD2-CD2 4.17Å; L91-L173 HydrophobicContact CD2-CG 3.97Å; L91-L173 HydrophobicContact CG-CD2 3.76Å; L91-L173 HydrophobicContact CG-CG 4.09Å; L91-L173 WeakPolarHBondContact O-CD2 3.28Å |
| 92 | F | 94.4 | Very high | 88 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 164.5 | 173.2 | 68.6 | -88.9 | 0 | 0 | 0 | 112.6 | D90 E94 I103 I104 | D90-F92 VanDerWaalsContact O-CD1 3.26Å; D90-F92 WeakPolarHBondContact O-CD1 3.35Å; D90-F92 PolarHBondContact O-N 3.09Å; F92-E94 HydrophobicContact CE2-CB 4.49Å; F92-I103 WeakPolarHBondContact O-CA 3.31Å; F92-I104 HydrophobicContact CE1-CB 4.1Å; F92-I104 HydrophobicContact CE1-CG2 3.91Å; F92-I104 HydrophobicContact CE2-CB 4.26Å; F92-I104 HydrophobicContact CZ-CB 3.85Å; F92-I104 HydrophobicContact CZ-CD1 4.46Å; F92-I104 HydrophobicContact CZ-CG2 3.86Å; F92-I104 PolarHBondContact N-O 2.92Å; F92-I104 PolarHBondContact O-N 3.23Å |
| 93 | V | 92.7 | Very high | 88.7 | Confident | 47 Ų | 47 | 51 Ų | 51 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.8 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 109 | D95 V101 I103 L173 V177 | V93-D95 WeakPolarHBondContact CG1-O 3.46Å; V93-V101 HydrophobicContact CG1-CG1 3.91Å; V93-V101 HydrophobicContact CG2-CG1 4.29Å; V93-I103 HydrophobicContact CG2-CG2 4.35Å; V93-L173 HydrophobicContact CG2-CD1 3.61Å; V93-L173 HydrophobicContact CG2-CD2 4.44Å; V93-V177 HydrophobicContact CG2-CG1 4.47Å; V93-V177 HydrophobicContact CG2-CG2 3.58Å |
| 94 | E | 91.7 | Very high | 89.4 | Confident | 81 Ų | 81 | 45.5 Ų | 45.5 | 38% | 0.379 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -48.5 | 175.2 | -176.7 | -169.3 | -142.9 | 0 | 0 | 111.1 | F92 T102 I104 R143 | F92-E94 HydrophobicContact CE2-CB 4.49Å; E94-T102 HydrophobicContact CB-CG2 4.32Å; E94-T102 PolarHBondContact N-O 2.75Å; E94-T102 WeakPolarHBondContact OE2-CG2 3.21Å; E94-I104 HydrophobicContact CB-CD1 3.86Å; E94-I104 HydrophobicContact CB-CG1 4.06Å; E94-I104 HydrophobicContact CG-CD1 3.83Å; E94-I104 VanDerWaalsContact OE1-CD1 3.29Å; E94-I104 WeakPolarHBondContact OE1-CD1 3.21Å; E94-R143 VanDerWaalsContact CD-NH2 3.31Å; E94-R143 IonicContact OE1-CZ 2.72Å; E94-R143 IonicContact OE1-NE 3.59Å; E94-R143 IonicContact OE1-NH2 2.61Å; E94-R143 PolarHBondContact OE1-NH2 2.85Å; E94-R143 IonicContact OE2-CZ 3.99Å; E94-R143 IonicContact OE2-NE 3.41Å; E94-R143 PolarHBondContact OE2-NE 2.82Å; E94-R143 IonicContact OE2-NH2 3.4Å; E94-R143 PolarHBondContact OE2-NH2 3Å |
| 95 | D | 82.6 | Confident | 89.9 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 47% | 0.465 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.5 | -176.5 | -173 | 31.3 | 0 | 0 | 0 | 111.3 | V93 T102 | V93-D95 WeakPolarHBondContact CG1-O 3.46Å; D95-T102 PolarHBondContact N-O 3.08Å; D95-T102 PolarHBondContact O-N 2.75Å |
| 96 | K | 84 | Confident | 90.2 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 138.9 | 176.7 | 61.1 | -170.8 | 175.4 | -167.4 | 0 | 110.9 | S100 V101 V177 | K96-S100 WeakPolarHBondContact CA-O 3.48Å; K96-V101 HydrophobicContact CB-CG2 4.47Å; K96-V177 HydrophobicContact CD-CG1 4.35Å |
| 97 | N | 72.9 | Confident | 90.3 | Very high | 43 Ų | 43 | 48.2 Ų | 48.2 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | trans | -133.4 | -168.6 | 176.8 | 61.9 | 44.7 | 0 | 0 | 0 | 110.9 | N99 S100 V179 K180 V182 | N97-N99 PolarHBondContact O-N 2.88Å; N97-N99 PolarHBondContact OD1-N 2.83Å; N97-S100 PolarHBondContact N-O 2.86Å; N97-S100 PolarHBondContact ND2-OG 2.87Å; N97-S100 WeakPolarHBondContact OD1-CA 3.46Å; N97-S100 WeakPolarHBondContact OD1-CB 3.21Å; N97-S100 PolarHBondContact OD1-N 2.71Å; N97-S100 PolarHBondContact OD1-O 2.99Å; N97-S100 PolarHBondContact OD1-OG 3.11Å; N97-V179 WeakPolarHBondContact O-CG1 3.47Å; N97-K180 CarbonylContact C-O 3.55Å; N97-K180 VanDerWaalsContact O-O 3.05Å; N97-V182 HydrophobicContact CB-CG2 3.46Å; N97-V182 VanDerWaalsContact CB-CG2 3.46Å | ||
| 98 | D | 74.6 | Confident | 90.3 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -65 | -22.8 | -173.4 | 54.9 | -3.8 | 0 | 0 | 0 | 114 | T151 V179 K180 E181 V182 | D98-T151 PolarHBondContact O-OG1 3.23Å; D98-V179 VanDerWaalsContact O-CG1 3.3Å; D98-V179 WeakPolarHBondContact O-CG1 3.44Å; D98-K180 WeakPolarHBondContact CA-O 3.36Å; D98-K180 PolarHBondContact N-O 2.8Å; D98-K180 VanDerWaalsContact N-O 3.08Å; D98-E181 HydrophobicContact CB-CG 4.49Å; D98-V182 HydrophobicContact CB-CB 4.4Å; D98-V182 HydrophobicContact CB-CG2 3.85Å; D98-V182 VanDerWaalsContact CG-CG2 3.47Å; D98-V182 VanDerWaalsContact N-CG2 3.35Å; D98-V182 WeakPolarHBondContact OD1-CG2 3.36Å |
| 99 | N | 81.6 | Confident | 90.1 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 35% | 0.353 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -138.8 | 3 | -170.7 | -168.5 | 29.3 | 0 | 0 | 0 | 113.4 | N97 K147 N148 Q149 | N97-N99 PolarHBondContact O-N 2.88Å; N97-N99 PolarHBondContact OD1-N 2.83Å; N99-K147 CarbonylContact O-C 3.56Å; N99-N148 PolarHBondContact O-N 3.39Å; N99-N148 WeakPolarHBondContact OD1-CA 3.14Å; N99-N148 PolarHBondContact OD1-N 3.47Å; N99-Q149 WeakPolarHBondContact CA-O 3.41Å; N99-Q149 PolarHBondContact O-N 3.25Å; N99-Q149 PolarHBondContact OD1-N 3.04Å; N99-Q149 PolarHBondContact OD1-O 2.91Å |
| 100 | S | 85.8 | Confident | 89.8 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | trans | -153.8 | 155.3 | 179.4 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | K96 N97 I146 | K96-S100 WeakPolarHBondContact CA-O 3.48Å; N97-S100 PolarHBondContact N-O 2.86Å; N97-S100 PolarHBondContact ND2-OG 2.87Å; N97-S100 WeakPolarHBondContact OD1-CA 3.46Å; N97-S100 WeakPolarHBondContact OD1-CB 3.21Å; N97-S100 PolarHBondContact OD1-N 2.71Å; N97-S100 PolarHBondContact OD1-O 2.99Å; N97-S100 PolarHBondContact OD1-OG 3.11Å; S100-I146 CarbonylContact C-O 3.57Å; S100-I146 WeakPolarHBondContact CA-O 3.42Å; S100-I146 WeakPolarHBondContact CB-O 3.47Å | ||
| 101 | V | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.9 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | V93 K96 I103 I146 I157 V177 V179 | V93-V101 HydrophobicContact CG1-CG1 3.91Å; V93-V101 HydrophobicContact CG2-CG1 4.29Å; K96-V101 HydrophobicContact CB-CG2 4.47Å; V101-I103 HydrophobicContact CG1-CG2 4.15Å; V101-I146 PolarHBondContact N-O 3.38Å; V101-I146 WeakPolarHBondContact O-CB 2.95Å; V101-I146 PolarHBondContact O-N 3.45Å; V101-I157 HydrophobicContact CB-CD1 4.42Å; V101-I157 HydrophobicContact CG1-CD1 3.9Å; V101-V177 HydrophobicContact CG1-CG1 4.04Å; V101-V177 HydrophobicContact CG2-CG1 4.04Å; V101-V179 HydrophobicContact CG2-CG2 4.26Å |
| 102 | T | 92.5 | Very high | 88.2 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.6 | 175.8 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | E94 D95 R143 Y144 V145 | E94-T102 HydrophobicContact CB-CG2 4.32Å; E94-T102 PolarHBondContact N-O 2.75Å; E94-T102 WeakPolarHBondContact OE2-CG2 3.21Å; D95-T102 PolarHBondContact N-O 3.08Å; D95-T102 PolarHBondContact O-N 2.75Å; T102-R143 HydrophobicContact CG2-CG 4.24Å; T102-Y144 WeakPolarHBondContact CA-O 3.42Å; T102-V145 HydrophobicContact CG2-CG2 4.05Å |
| 103 | I | 95.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.7 | -179.8 | 55.1 | 162.7 | 0 | 0 | 0 | 110.8 | L91 F92 V93 V101 W105 I121 R143 Y144 I146 I157 V159 | L91-I103 HydrophobicContact CD1-CB 4.14Å; L91-I103 HydrophobicContact CD1-CD1 4.15Å; F92-I103 WeakPolarHBondContact O-CA 3.31Å; V93-I103 HydrophobicContact CG2-CG2 4.35Å; V101-I103 HydrophobicContact CG1-CG2 4.15Å; I103-W105 HydrophobicContact CD1-CE3 4.14Å; I103-W105 HydrophobicContact CD1-CZ3 3.84Å; I103-W105 HydrophobicContact CG1-CE3 4.29Å; I103-W105 HydrophobicContact CG1-CZ3 3.93Å; I103-I121 HydrophobicContact CD1-CG1 4.29Å; I103-I121 HydrophobicContact CD1-CG2 3.76Å; I103-R143 WeakPolarHBondContact O-CA 3.48Å; I103-Y144 PolarHBondContact N-O 2.07Å; I103-Y144 PolarHBondContact O-N 2.76Å; I103-I146 HydrophobicContact CD1-CD1 4.24Å; I103-I146 HydrophobicContact CG1-CD1 4.42Å; I103-I146 HydrophobicContact CG2-CD1 4.44Å; I103-I157 HydrophobicContact CD1-CG2 3.9Å; I103-I157 HydrophobicContact CG2-CD1 4.21Å; I103-I157 HydrophobicContact CG2-CG2 4.32Å; I103-V159 HydrophobicContact CD1-CG2 3.8Å |
| 104 | I | 96.6 | Very high | 86.6 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 20% | 0.195 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.5 | 174.7 | -67.5 | -179.5 | 0 | 0 | 0 | 108.6 | L91 F92 E94 S142 R143 | L91-I104 WeakPolarHBondContact CA-O 3.5Å; F92-I104 HydrophobicContact CE1-CB 4.1Å; F92-I104 HydrophobicContact CE1-CG2 3.91Å; F92-I104 HydrophobicContact CE2-CB 4.26Å; F92-I104 HydrophobicContact CZ-CB 3.85Å; F92-I104 HydrophobicContact CZ-CD1 4.46Å; F92-I104 HydrophobicContact CZ-CG2 3.86Å; F92-I104 PolarHBondContact N-O 2.92Å; F92-I104 PolarHBondContact O-N 3.23Å; E94-I104 HydrophobicContact CB-CD1 3.86Å; E94-I104 HydrophobicContact CB-CG1 4.06Å; E94-I104 HydrophobicContact CG-CD1 3.83Å; E94-I104 VanDerWaalsContact OE1-CD1 3.29Å; E94-I104 WeakPolarHBondContact OE1-CD1 3.21Å; I104-S142 WeakPolarHBondContact CA-O 3.47Å; I104-R143 HydrophobicContact CD1-CG 4.41Å; I104-R143 HydrophobicContact CG1-CB 4.15Å; I104-R143 HydrophobicContact CG1-CG 3.88Å |
| 105 | W | 97.3 | Very high | 86.4 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.3 | 175.8 | 62.7 | 92.9 | 0 | 0 | 0 | 111.6 | P88 L91 I103 Y119 I121 Q139 S141 S142 V159 | P88-W105 HydrophobicContact CB-CG 4.42Å; L91-W105 HydrophobicContact CB-CB 4.28Å; L91-W105 HydrophobicContact CD1-CB 4Å; L91-W105 HydrophobicContact CD1-CE3 4.27Å; I103-W105 HydrophobicContact CD1-CE3 4.14Å; I103-W105 HydrophobicContact CD1-CZ3 3.84Å; I103-W105 HydrophobicContact CG1-CE3 4.29Å; I103-W105 HydrophobicContact CG1-CZ3 3.93Å; W105-Y119 AromaticContact CD1-CE1 3.86Å; W105-Y119 AromaticContact CE2-CD2 3.86Å; W105-Y119 AromaticContact CE2-CG 3.8Å; W105-Y119 HydrophobicContact CZ2-CD1 4.3Å; W105-Y119 AromaticContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CE2 4.22Å; W105-Y119 AromaticContact CZ2-CG 3.6Å; W105-Y119 HydrophobicContact CZ2-CG 3.6Å; W105-Y119 AromaticContact NE1-CD1 3.31Å; W105-Y119 VanDerWaalsContact NE1-CD1 3.31Å; W105-Y119 AromaticContact NE1-CD2 3.52Å; W105-Y119 AromaticContact NE1-CE1 3.22Å; W105-Y119 AromaticContact NE1-CE2 3.46Å; W105-Y119 AromaticContact NE1-CG 3.46Å; W105-Y119 AromaticContact NE1-CZ 3.3Å; W105-Y119 VanDerWaalsContact NE1-CZ 3.3Å; W105-I121 HydrophobicContact CH2-CD1 4.1Å; W105-I121 HydrophobicContact CH2-CG1 4.12Å; W105-I121 HydrophobicContact CZ3-CG1 4.43Å; W105-Q139 HydrophobicContact CH2-CG 4.15Å; W105-Q139 HydrophobicContact CZ2-CG 4.36Å; W105-S141 WeakPolarHBondContact CZ2-O 3.44Å; W105-S142 PolarHBondContact N-O 2.86Å; W105-S142 VanDerWaalsContact N-O 3.13Å; W105-S142 WeakPolarHBondContact O-CB 3.18Å; W105-S142 PolarHBondContact O-OG 2.84Å; W105-V159 HydrophobicContact CD2-CG1 3.98Å; W105-V159 HydrophobicContact CD2-CG2 4.21Å; W105-V159 HydrophobicContact CE3-CG1 4.47Å; W105-V159 HydrophobicContact CE3-CG2 4.01Å; W105-V159 HydrophobicContact CG-CG1 4.31Å; W105-V159 HydrophobicContact CZ2-CG1 4.12Å; W105-V159 HydrophobicContact CZ3-CG2 4.36Å |
| 106 | S | 95.7 | Very high | 86.8 | Confident | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 152.9 | 172.8 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | P88 V89 D90 | P88-S106 WeakPolarHBondContact CB-O 3.28Å; V89-S106 PolarHBondContact N-O 2.95Å; V89-S106 VanDerWaalsContact N-O 3.15Å; V89-S106 WeakPolarHBondContact O-CB 3.31Å; V89-S106 PolarHBondContact O-N 2.88Å; D90-S106 PolarHBondContact OD2-OG 2.97Å; D90-S106 VanDerWaalsContact OD2-OG 3.09Å |
| 107 | Q | 94.2 | Very high | 87.3 | Confident | 108 Ų | 108 | 52 Ų | 52 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 156.6 | 178.2 | -53.4 | -165.7 | -15.5 | 0 | 0 | 111.8 | Y119 | Q107-Y119 WeakPolarHBondContact CA-OH 3.45Å; Q107-Y119 WeakPolarHBondContact CG-OH 3.19Å |
| 108 | P | 94.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 145 | 173 | -25.5 | 35.7 | 0 | 0 | 0 | 112.7 | S86 T110 I111 A161 | S86-P108 VanDerWaalsContact O-CB 3.27Å; S86-P108 WeakPolarHBondContact O-CB 3.36Å; S86-P108 WeakPolarHBondContact O-CG 3.19Å; P108-T110 PolarHBondContact O-N 2.59Å; P108-I111 HydrophobicContact CB-CG1 4.49Å; P108-A161 HydrophobicContact CG-CB 3.59Å |
| 109 | E | 92 | Very high | 89.5 | Confident | 170 Ų | 170 | 47 Ų | 47 | 79% | 0.794 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -65 | -24.6 | 175.3 | -65.5 | -176 | 167.9 | 0 | 0 | 112.4 | S86 V89 | S86-E109 PolarHBondContact OG-N 2.87Å; V89-E109 HydrophobicContact CG1-CG 4.43Å |
| 110 | T | 88.5 | Confident | 90.2 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 55% | 0.546 | 26% | 0.259 | S | S | . | . | trans | -134.4 | 108.4 | -175.6 | 5.4 | 0 | 0 | 0 | 0 | 109.1 | T85 S86 P108 | T85-T110 CarbonylContact C-O 3.57Å; T85-T110 VanDerWaalsContact CA-O 3.3Å; T85-T110 WeakPolarHBondContact CA-O 3.14Å; T85-T110 WeakPolarHBondContact CB-O 3.47Å; S86-T110 WeakPolarHBondContact CB-OG1 3.49Å; S86-T110 PolarHBondContact N-O 2.91Å; S86-T110 PolarHBondContact OG-N 2.85Å; S86-T110 PolarHBondContact OG-O 2.93Å; S86-T110 PolarHBondContact OG-OG1 2.99Å; P108-T110 PolarHBondContact O-N 2.59Å | ||
| 111 | I | 82.1 | Confident | 90.8 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | trans | -96.3 | -19.1 | -177.4 | -66.1 | 161.3 | 0 | 0 | 0 | 111.7 | T85 P108 L116 N163 | T85-I111 HydrophobicContact CG2-CG2 4.44Å; P108-I111 HydrophobicContact CB-CG1 4.49Å; I111-L116 HydrophobicContact CG2-CB 3.83Å; I111-N163 PolarHBondContact O-ND2 2.63Å | ||
| 112 | G | 73.7 | Confident | 91.1 | Very high | 46 Ų | 46 | 44.8 Ų | 44.8 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | trans | 70.7 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S114 | G112-S114 PolarHBondContact O-N 2.71Š| ||
| 113 | D | 74.7 | Confident | 91.2 | Very high | 182 Ų | 182 | 44.9 Ų | 44.9 | 97% | 0.973 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -12 | -174 | -61.4 | -26.2 | 0 | 0 | 0 | 113.9 | G115 | D113-G115 VanDerWaalsContact C-N 3.35Š|
| 114 | S | 79.2 | Confident | 91.1 | Very high | 26 Ų | 26 | 45 Ų | 45 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.2 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | G112 N163 E164 | G112-S114 PolarHBondContact O-N 2.71Å; S114-N163 PolarHBondContact OG-ND2 2.74Å; S114-E164 VanDerWaalsContact CB-OE2 3.25Å; S114-E164 WeakPolarHBondContact CB-OE2 3.47Å |
| 115 | G | 86.3 | Confident | 90.7 | Very high | 32 Ų | 32 | 48 Ų | 48 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | trans | 69.9 | 179.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D113 N163 | D113-G115 VanDerWaalsContact C-N 3.35Å; G115-N163 WeakPolarHBondContact O-CB 3.17Å | ||
| 116 | L | 92.1 | Very high | 90.3 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | trans | -104.9 | 120.8 | -178.8 | 177.8 | 71.9 | 0 | 0 | 0 | 110 | T85 I111 Y119 A161 | T85-L116 HydrophobicContact CG2-CD1 4.07Å; I111-L116 HydrophobicContact CG2-CB 3.83Å; L116-Y119 HydrophobicContact CD2-CE1 4.21Å; L116-Y119 HydrophobicContact CD2-CE2 3.84Å; L116-Y119 VanDerWaalsContact CD2-CZ 3.48Å; L116-Y119 WeakPolarHBondContact CD2-OH 3.4Å; L116-A161 HydrophobicContact CD1-CB 3.94Å | ||
| 117 | D | 93.5 | Very high | 89.8 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -82.3 | -26.6 | 176.7 | -65.7 | -36.5 | 0 | 0 | 0 | 112 | L138 K140 V162 N163 E164 | D117-L138 HydrophobicContact CB-CD1 3.81Å; D117-K140 WeakPolarHBondContact O-CD 3.39Å; D117-K140 VanDerWaalsContact O-CE 3.31Å; D117-K140 WeakPolarHBondContact O-CE 3.33Å; D117-K140 PolarHBondContact O-NZ 2.85Å; D117-V162 WeakPolarHBondContact CA-O 3.37Å; D117-V162 WeakPolarHBondContact CB-O 3.46Å; D117-V162 PolarHBondContact N-O 3.23Å; D117-N163 VanDerWaalsContact OD2-CA 3.23Å; D117-N163 WeakPolarHBondContact OD2-CA 3.4Å; D117-E164 PolarHBondContact OD2-N 2.63Å; D117-E164 VanDerWaalsContact OD2-N 3.08Å | ||
| 118 | G | 95.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | -154.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q139 V162 | G118-Q139 CarbonylContact C-O 3.53Å; G118-Q139 VanDerWaalsContact CA-O 3.23Å; G118-Q139 WeakPolarHBondContact CA-O 3.37Å; G118-V162 PolarHBondContact N-O 3.16Å; G118-V162 VanDerWaalsContact N-O 3.16Å; G118-V162 PolarHBondContact O-N 3.47Å |
| 119 | Y | 97.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.6 | -171 | -54.6 | -82 | 0 | 0 | 0 | 112.7 | P88 W105 Q107 L116 N135 Q139 V159 V160 A161 | P88-Y119 HydrophobicContact CB-CE1 4.25Å; P88-Y119 HydrophobicContact CG-CD1 4.05Å; P88-Y119 HydrophobicContact CG-CE1 3.97Å; W105-Y119 AromaticContact CD1-CE1 3.86Å; W105-Y119 AromaticContact CE2-CD2 3.86Å; W105-Y119 AromaticContact CE2-CG 3.8Å; W105-Y119 HydrophobicContact CZ2-CD1 4.3Å; W105-Y119 AromaticContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CE2 4.22Å; W105-Y119 AromaticContact CZ2-CG 3.6Å; W105-Y119 HydrophobicContact CZ2-CG 3.6Å; W105-Y119 AromaticContact NE1-CD1 3.31Å; W105-Y119 VanDerWaalsContact NE1-CD1 3.31Å; W105-Y119 AromaticContact NE1-CD2 3.52Å; W105-Y119 AromaticContact NE1-CE1 3.22Å; W105-Y119 AromaticContact NE1-CE2 3.46Å; W105-Y119 AromaticContact NE1-CG 3.46Å; W105-Y119 AromaticContact NE1-CZ 3.3Å; W105-Y119 VanDerWaalsContact NE1-CZ 3.3Å; Q107-Y119 WeakPolarHBondContact CA-OH 3.45Å; Q107-Y119 WeakPolarHBondContact CG-OH 3.19Å; L116-Y119 HydrophobicContact CD2-CE1 4.21Å; L116-Y119 HydrophobicContact CD2-CE2 3.84Å; L116-Y119 VanDerWaalsContact CD2-CZ 3.48Å; L116-Y119 WeakPolarHBondContact CD2-OH 3.4Å; Y119-N135 PolarHBondContact O-ND2 2.94Å; Y119-Q139 VanDerWaalsContact CD2-O 3.25Å; Y119-Q139 WeakPolarHBondContact CD2-O 3.4Å; Y119-Q139 PolarHBondContact N-O 2.89Å; Y119-Q139 PolarHBondContact O-N 3.15Å; Y119-V159 HydrophobicContact CD1-CG1 3.94Å; Y119-V159 HydrophobicContact CG-CG1 4.26Å; Y119-V160 CarbonylContact C-O 3.58Å; Y119-V160 VanDerWaalsContact CA-O 3.27Å; Y119-V160 WeakPolarHBondContact CA-O 3.46Å; Y119-A161 HydrophobicContact CD1-CB 3.99Å; Y119-A161 HydrophobicContact CE1-CB 3.95Å |
| 120 | V | 97.3 | Very high | 89.4 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.4 | 166.3 | -177.6 | 0 | 0 | 0 | 0 | 108 | E122 A133 L138 V160 V162 | V120-E122 HydrophobicContact CG1-CG 3.97Å; V120-A133 HydrophobicContact CG1-CB 3.82Å; V120-L138 HydrophobicContact CG2-CD2 3.54Å; V120-V160 HydrophobicContact CB-CB 4.42Å; V120-V160 PolarHBondContact N-O 3.1Å; V120-V160 PolarHBondContact O-N 2.88Å; V120-V162 HydrophobicContact CG2-CG2 3.82Å |
| 121 | I | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126 | 176.8 | -59 | 83.6 | 0 | 0 | 0 | 107 | I103 W105 A133 V134 N135 Q139 Y144 I146 I157 V159 | I103-I121 HydrophobicContact CD1-CG1 4.29Å; I103-I121 HydrophobicContact CD1-CG2 3.76Å; W105-I121 HydrophobicContact CH2-CD1 4.1Å; W105-I121 HydrophobicContact CH2-CG1 4.12Å; W105-I121 HydrophobicContact CZ3-CG1 4.43Å; I121-A133 CarbonylContact O-C 3.56Å; I121-A133 WeakPolarHBondContact O-CA 3.05Å; I121-V134 HydrophobicContact CB-CG2 3.71Å; I121-V134 HydrophobicContact CG2-CG2 3.58Å; I121-V134 WeakPolarHBondContact O-CG2 3.12Å; I121-V134 PolarHBondContact O-N 2.88Å; I121-N135 HydrophobicContact CD1-CB 4.49Å; I121-N135 PolarHBondContact N-OD1 3.47Å; I121-N135 PolarHBondContact O-OD1 3.32Å; I121-Q139 HydrophobicContact CD1-CB 3.72Å; I121-Q139 HydrophobicContact CD1-CG 4.22Å; I121-Y144 HydrophobicContact CB-CD1 4.18Å; I121-Y144 HydrophobicContact CB-CE1 4.5Å; I121-Y144 HydrophobicContact CD1-CD1 4.17Å; I121-Y144 HydrophobicContact CD1-CD2 3.86Å; I121-Y144 HydrophobicContact CD1-CE2 4.36Å; I121-Y144 HydrophobicContact CD1-CG 3.76Å; I121-Y144 HydrophobicContact CG1-CD1 3.96Å; I121-Y144 HydrophobicContact CG1-CD2 4.49Å; I121-Y144 HydrophobicContact CG1-CG 3.88Å; I121-Y144 HydrophobicContact CG2-CD1 4.14Å; I121-I146 HydrophobicContact CG2-CD1 4.12Å; I121-I146 HydrophobicContact CG2-CG1 4.16Å; I121-I157 HydrophobicContact CG2-CG2 4.48Å; I121-V159 HydrophobicContact CG1-CG2 4.45Å |
| 122 | E | 96.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.1 | -179.5 | -63.3 | 178.1 | 148.6 | 0 | 0 | 111.2 | V120 W131 K132 A133 R158 R167 | V120-E122 HydrophobicContact CG1-CG 3.97Å; E122-W131 HydrophobicContact CB-CE3 4.04Å; E122-K132 CarbonylContact C-O 3.54Å; E122-K132 VanDerWaalsContact CA-O 3.23Å; E122-K132 WeakPolarHBondContact CA-O 3.38Å; E122-A133 HydrophobicContact CG-CB 4.36Å; E122-R158 HydrophobicContact CB-CG 3.93Å; E122-R158 PolarHBondContact N-O 3.4Å; E122-R158 PolarHBondContact O-N 3.02Å; E122-R158 IonicContact OE2-CZ 3.96Å; E122-R158 IonicContact OE2-NE 2.67Å; E122-R158 PolarHBondContact OE2-NE 3.07Å; E122-R158 IonicContact OE2-NH2 3.28Å; E122-R158 PolarHBondContact OE2-NH2 3.37Å; E122-R167 VanDerWaalsContact CD-NH2 3.34Å; E122-R167 IonicContact OE1-CZ 3.4Å; E122-R167 IonicContact OE1-NH1 2.83Å; E122-R167 IonicContact OE1-NH2 2.8Å; E122-R167 PolarHBondContact OE1-NH2 3.42Å; E122-R167 IonicContact OE2-NH2 3.34Å |
| 123 | V | 94.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.4 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | K132 V134 I146 L155 K156 I157 | V123-K132 PolarHBondContact N-O 2.82Å; V123-K132 PolarHBondContact O-N 2.76Å; V123-V134 HydrophobicContact CB-CG1 3.93Å; V123-V134 HydrophobicContact CG2-CG1 3.58Å; V123-V134 HydrophobicContact CG2-CG2 4.32Å; V123-I146 HydrophobicContact CG2-CD1 3.87Å; V123-I146 HydrophobicContact CG2-CG1 4.45Å; V123-I146 HydrophobicContact CG2-CG2 3.86Å; V123-L155 HydrophobicContact CG1-CB 4.05Å; V123-L155 HydrophobicContact CG1-CD1 4.19Å; V123-L155 HydrophobicContact CG1-CD2 3.86Å; V123-L155 HydrophobicContact CG1-CG 4.25Å; V123-K156 WeakPolarHBondContact CA-O 3.29Å; V123-I157 HydrophobicContact CG2-CG1 4.39Å |
| 124 | C | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.9 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | T128 W131 K156 | C124-T128 VanDerWaalsContact SG-C 3.57Å; C124-T128 PolarHBondContact SG-O 3.17Å; C124-T128 PolarHBondContact SG-OG1 2.78Å; C124-T128 VanDerWaalsContact SG-OG1 3.34Å; C124-W131 HydrophobicContact CB-CD2 3.49Å; C124-W131 VanDerWaalsContact CB-CD2 3.49Å; C124-W131 HydrophobicContact CB-CE3 3.52Å; C124-W131 HydrophobicContact CB-CG 3.99Å; C124-W131 HydrophobicContact CB-CH2 4.21Å; C124-W131 HydrophobicContact CB-CZ2 4.16Å; C124-W131 HydrophobicContact CB-CZ3 3.88Å; C124-K156 HydrophobicContact CB-CB 4.27Å; C124-K156 PolarHBondContact N-O 3.27Å; C124-K156 PolarHBondContact O-N 3.25Å |
| 125 | K | 90.1 | Very high | 92.9 | Very high | 101 Ų | 101 | 50 Ų | 50 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.4 | 176.1 | -174.1 | 163.8 | -176.3 | 146.5 | 0 | 109.5 | G127 T128 D153 | K125-G127 PolarHBondContact O-N 2.87Å; K125-T128 HydrophobicContact CB-CG2 4.42Å; K125-T128 PolarHBondContact O-N 3.39Å; K125-T128 PolarHBondContact O-OG1 3.32Å; K125-D153 WeakPolarHBondContact CE-OD1 3.48Å; K125-D153 IonicContact NZ-OD1 2.77Å; K125-D153 PolarHBondContact NZ-OD1 3.11Å; K125-D153 IonicContact NZ-OD2 3.56Å; K125-D153 PolarHBondContact NZ-OD2 2.72Å |
| 126 | D | 88.1 | Confident | 93.1 | Very high | 55 Ų | 55 | 58 Ų | 58 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 135.3 | 179 | -166.7 | 26.2 | 0 | 0 | 0 | 110.7 | R154 K156 P176 | D126-R154 HydrophobicContact CB-CB 3.58Å; D126-R154 VanDerWaalsContact CB-O 3.28Å; D126-R154 WeakPolarHBondContact CB-O 3.19Å; D126-R154 PolarHBondContact N-O 2.91Å; D126-R154 IonicContact OD2-CZ 3.64Å; D126-R154 IonicContact OD2-NE 2.7Å; D126-R154 IonicContact OD2-NH1 3.71Å; D126-R154 PolarHBondContact OD2-NH1 2.9Å; D126-K156 VanDerWaalsContact OD1-CE 3.23Å; D126-K156 WeakPolarHBondContact OD1-CE 3.08Å; D126-K156 IonicContact OD1-NZ 3.68Å; D126-P176 HydrophobicContact CB-CB 4.27Å; D126-P176 HydrophobicContact CB-CG 4.49Å |
| 127 | G | 85 | Confident | 93.3 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 77% | 0.773 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -3.6 | -170 | 0 | 0 | 0 | 0 | 0 | 116.1 | K125 | K125-G127 PolarHBondContact O-N 2.87Š|
| 128 | T | 88.9 | Confident | 93.4 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 37% | 0.368 | 34% | 0.337 | S | S | . | . | trans | -114.5 | 172.1 | 171.3 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | C124 K125 | C124-T128 VanDerWaalsContact SG-C 3.57Å; C124-T128 PolarHBondContact SG-O 3.17Å; C124-T128 PolarHBondContact SG-OG1 2.78Å; C124-T128 VanDerWaalsContact SG-OG1 3.34Å; K125-T128 HydrophobicContact CB-CG2 4.42Å; K125-T128 PolarHBondContact O-N 3.39Å; K125-T128 PolarHBondContact O-OG1 3.32Å | ||
| 129 | E | 89.9 | Confident | 93.4 | Very high | 180 Ų | 180 | 64.9 Ų | 64.9 | 84% | 0.841 | 35% | 0.348 | S | S | * | . | trans | -122 | 13.4 | 173.9 | -61.8 | -170.6 | 163.9 | 0 | 0 | 112.5 | W131 | E129-W131 PolarHBondContact O-N 2.9Š| ||
| 130 | D | 92.8 | Very high | 93.3 | Very high | 90 Ų | 90 | 71.7 Ų | 71.7 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | trans | -87.2 | 83.4 | -177 | -174.4 | 21.6 | 0 | 0 | 0 | 110.6 | K132 | D130-K132 WeakPolarHBondContact OD2-CE 3.11Å; D130-K132 IonicContact OD2-NZ 3.09Å; D130-K132 PolarHBondContact OD2-NZ 2.86Å | ||
| 131 | W | 94.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 25% | 0.25 | 39% | 0.392 | C | S | . | . | trans | -75.7 | 125.6 | 177.9 | -68.8 | 92 | 0 | 0 | 0 | 111.4 | E122 C124 E129 K156 R158 T172 | E122-W131 HydrophobicContact CB-CE3 4.04Å; C124-W131 HydrophobicContact CB-CD2 3.49Å; C124-W131 VanDerWaalsContact CB-CD2 3.49Å; C124-W131 HydrophobicContact CB-CE3 3.52Å; C124-W131 HydrophobicContact CB-CG 3.99Å; C124-W131 HydrophobicContact CB-CH2 4.21Å; C124-W131 HydrophobicContact CB-CZ2 4.16Å; C124-W131 HydrophobicContact CB-CZ3 3.88Å; E129-W131 PolarHBondContact O-N 2.9Å; W131-K156 HydrophobicContact CH2-CB 3.57Å; W131-K156 HydrophobicContact CZ2-CB 4.14Å; W131-K156 HydrophobicContact CZ2-CD 4.5Å; W131-K156 HydrophobicContact CZ3-CB 4.16Å; W131-K156 WeakPolarHBondContact CZ3-O 3.32Å; W131-R158 HydrophobicContact CD2-CG 4.46Å; W131-R158 HydrophobicContact CE3-CG 3.73Å; W131-R158 HydrophobicContact CH2-CB 4.1Å; W131-R158 HydrophobicContact CH2-CG 4.01Å; W131-R158 HydrophobicContact CZ3-CB 3.89Å; W131-R158 HydrophobicContact CZ3-CG 3.49Å; W131-R158 VanDerWaalsContact CZ3-CG 3.49Å; W131-T172 HydrophobicContact CH2-CG2 4.02Å | ||
| 132 | K | 94.3 | Very high | 93.1 | Very high | 121 Ų | 121 | 75.3 Ų | 75.3 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.4 | 179.8 | -68.1 | 177.5 | 178.5 | 151.7 | 0 | 111.2 | E122 V123 D130 | E122-K132 CarbonylContact C-O 3.54Å; E122-K132 VanDerWaalsContact CA-O 3.23Å; E122-K132 WeakPolarHBondContact CA-O 3.38Å; V123-K132 PolarHBondContact N-O 2.82Å; V123-K132 PolarHBondContact O-N 2.76Å; D130-K132 WeakPolarHBondContact OD2-CE 3.11Å; D130-K132 IonicContact OD2-NZ 3.09Å; D130-K132 PolarHBondContact OD2-NZ 2.86Å |
| 133 | A | 94.8 | Very high | 93 | Very high | 59 Ų | 59 | 80.7 Ų | 80.7 | 49% | 0.488 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | V120 I121 E122 | V120-A133 HydrophobicContact CG1-CB 3.82Å; I121-A133 CarbonylContact O-C 3.56Å; I121-A133 WeakPolarHBondContact O-CA 3.05Å; E122-A133 HydrophobicContact CG-CB 4.36Å |
| 134 | V | 94.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 82.4 Ų | 82.4 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | trans | -103.2 | -8 | -179.3 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | I121 V123 Y144 I146 | I121-V134 HydrophobicContact CB-CG2 3.71Å; I121-V134 HydrophobicContact CG2-CG2 3.58Å; I121-V134 WeakPolarHBondContact O-CG2 3.12Å; I121-V134 PolarHBondContact O-N 2.88Å; V123-V134 HydrophobicContact CB-CG1 3.93Å; V123-V134 HydrophobicContact CG2-CG1 3.58Å; V123-V134 HydrophobicContact CG2-CG2 4.32Å; V134-Y144 HydrophobicContact CB-CE1 4.47Å; V134-Y144 HydrophobicContact CG2-CD1 4.28Å; V134-Y144 HydrophobicContact CG2-CE1 3.58Å; V134-Y144 PolarHBondContact O-OH 2.84Å; V134-I146 HydrophobicContact CG1-CG2 4.36Å; V134-I146 HydrophobicContact CG2-CG1 4.33Å | ||
| 135 | N | 94.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 84.9 Ų | 84.9 | 9% | 0.091 | 44% | 0.444 | C | S | . | . | trans | -112.5 | 135.5 | 172.5 | 59.8 | -58.3 | 0 | 0 | 0 | 110 | Y119 I121 D137 Y144 | Y119-N135 PolarHBondContact O-ND2 2.94Å; I121-N135 HydrophobicContact CD1-CB 4.49Å; I121-N135 PolarHBondContact N-OD1 3.47Å; I121-N135 PolarHBondContact O-OD1 3.32Å; N135-D137 PolarHBondContact ND2-O 3.28Å; N135-Y144 HydrophobicContact CB-CE2 3.9Å; N135-Y144 WeakPolarHBondContact CB-OH 3.35Å | ||
| 136 | E | 90.8 | Very high | 93.2 | Very high | 199 Ų | 199 | 80.1 Ų | 80.1 | 93% | 0.93 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -77.2 | -48.2 | 175.9 | -65.9 | -178.5 | 178.3 | 0 | 0 | 110.9 | ||
| 137 | D | 95.8 | Very high | 93.3 | Very high | 138 Ų | 138 | 84.1 Ų | 84.1 | 74% | 0.738 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -96.7 | 152.2 | 174.9 | -64.9 | -50.6 | 0 | 0 | 0 | 112.1 | N135 Q139 | N135-D137 PolarHBondContact ND2-O 3.28Å; D137-Q139 PolarHBondContact O-N 2.83Å |
| 138 | L | 94.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 87 Ų | 87 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 122.5 | 175.7 | -67.5 | -179.6 | 0 | 0 | 0 | 111.1 | D117 V120 K140 V162 | D117-L138 HydrophobicContact CB-CD1 3.81Å; V120-L138 HydrophobicContact CG2-CD2 3.54Å; L138-K140 PolarHBondContact O-N 2.65Å; L138-V162 HydrophobicContact CD1-CB 4.15Å; L138-V162 HydrophobicContact CD1-CG1 4.11Å; L138-V162 HydrophobicContact CD2-CB 4Å; L138-V162 HydrophobicContact CD2-CG1 4.39Å; L138-V162 HydrophobicContact CD2-CG2 3.83Å |
| 139 | Q | 96.5 | Very high | 93.2 | Very high | 49 Ų | 49 | 85.7 Ų | 85.7 | 23% | 0.229 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -71.6 | 126.2 | 177.6 | 176.5 | 62.6 | -37.5 | 0 | 0 | 109.7 | W105 G118 Y119 I121 D137 S141 R143 Y144 | W105-Q139 HydrophobicContact CH2-CG 4.15Å; W105-Q139 HydrophobicContact CZ2-CG 4.36Å; G118-Q139 CarbonylContact C-O 3.53Å; G118-Q139 VanDerWaalsContact CA-O 3.23Å; G118-Q139 WeakPolarHBondContact CA-O 3.37Å; Y119-Q139 VanDerWaalsContact CD2-O 3.25Å; Y119-Q139 WeakPolarHBondContact CD2-O 3.4Å; Y119-Q139 PolarHBondContact N-O 2.89Å; Y119-Q139 PolarHBondContact O-N 3.15Å; I121-Q139 HydrophobicContact CD1-CB 3.72Å; I121-Q139 HydrophobicContact CD1-CG 4.22Å; D137-Q139 PolarHBondContact O-N 2.83Å; Q139-S141 WeakPolarHBondContact CG-O 3.37Å; Q139-S141 PolarHBondContact NE2-OG 2.93Å; Q139-R143 PolarHBondContact NE2-O 3.31Å; Q139-Y144 HydrophobicContact CB-CD2 4.39Å; Q139-Y144 HydrophobicContact CG-CD2 4.04Å |
| 140 | K | 93.9 | Very high | 92.9 | Very high | 144 Ų | 144 | 81.4 Ų | 81.4 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | trans | -89 | -27.4 | -177.3 | -57 | -63 | -177.3 | 171.6 | 0 | 113.1 | D117 L138 | D117-K140 WeakPolarHBondContact O-CD 3.39Å; D117-K140 VanDerWaalsContact O-CE 3.31Å; D117-K140 WeakPolarHBondContact O-CE 3.33Å; D117-K140 PolarHBondContact O-NZ 2.85Å; L138-K140 PolarHBondContact O-N 2.65Å | ||
| 141 | S | 94.8 | Very high | 92.3 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 42% | 0.42 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -93.3 | 156.5 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | W105 Q139 R143 | W105-S141 WeakPolarHBondContact CZ2-O 3.44Å; Q139-S141 WeakPolarHBondContact CG-O 3.37Å; Q139-S141 PolarHBondContact NE2-OG 2.93Å; S141-R143 PolarHBondContact O-N 3.3Å; S141-R143 PolarHBondContact OG-O 3.02Å |
| 142 | S | 95.6 | Very high | 91.5 | Very high | 34 Ų | 34 | 79.6 Ų | 79.6 | 24% | 0.238 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -78.7 | 27.3 | 178.2 | -90.6 | 0 | 0 | 0 | 0 | 114.4 | I104 W105 | I104-S142 WeakPolarHBondContact CA-O 3.47Å; W105-S142 PolarHBondContact N-O 2.86Å; W105-S142 VanDerWaalsContact N-O 3.13Å; W105-S142 WeakPolarHBondContact O-CB 3.18Å; W105-S142 PolarHBondContact O-OG 2.84Å |
| 143 | R | 96.1 | Very high | 91.2 | Very high | 126 Ų | 126 | 75.3 Ų | 75.3 | 48% | 0.475 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 137.7 | -176.5 | -178 | 176.2 | -171.6 | -172.8 | 1.5 | 109.8 | E94 T102 I103 I104 Q139 S141 | E94-R143 VanDerWaalsContact CD-NH2 3.31Å; E94-R143 IonicContact OE1-CZ 2.72Å; E94-R143 IonicContact OE1-NE 3.59Å; E94-R143 IonicContact OE1-NH2 2.61Å; E94-R143 PolarHBondContact OE1-NH2 2.85Å; E94-R143 IonicContact OE2-CZ 3.99Å; E94-R143 IonicContact OE2-NE 3.41Å; E94-R143 PolarHBondContact OE2-NE 2.82Å; E94-R143 IonicContact OE2-NH2 3.4Å; E94-R143 PolarHBondContact OE2-NH2 3Å; T102-R143 HydrophobicContact CG2-CG 4.24Å; I103-R143 WeakPolarHBondContact O-CA 3.48Å; I104-R143 HydrophobicContact CD1-CG 4.41Å; I104-R143 HydrophobicContact CG1-CB 4.15Å; I104-R143 HydrophobicContact CG1-CG 3.88Å; Q139-R143 PolarHBondContact NE2-O 3.31Å; S141-R143 PolarHBondContact O-N 3.3Å; S141-R143 PolarHBondContact OG-O 3.02Å |
| 144 | Y | 95.6 | Very high | 90.9 | Very high | 47 Ų | 47 | 78.2 Ų | 78.2 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.9 | 176.7 | -167.3 | -100.5 | 0 | 0 | 0 | 112.7 | T102 I103 I121 V134 N135 Q139 I146 | T102-Y144 WeakPolarHBondContact CA-O 3.42Å; I103-Y144 PolarHBondContact N-O 2.07Å; I103-Y144 PolarHBondContact O-N 2.76Å; I121-Y144 HydrophobicContact CB-CD1 4.18Å; I121-Y144 HydrophobicContact CB-CE1 4.5Å; I121-Y144 HydrophobicContact CD1-CD1 4.17Å; I121-Y144 HydrophobicContact CD1-CD2 3.86Å; I121-Y144 HydrophobicContact CD1-CE2 4.36Å; I121-Y144 HydrophobicContact CD1-CG 3.76Å; I121-Y144 HydrophobicContact CG1-CD1 3.96Å; I121-Y144 HydrophobicContact CG1-CD2 4.49Å; I121-Y144 HydrophobicContact CG1-CG 3.88Å; I121-Y144 HydrophobicContact CG2-CD1 4.14Å; V134-Y144 HydrophobicContact CB-CE1 4.47Å; V134-Y144 HydrophobicContact CG2-CD1 4.28Å; V134-Y144 HydrophobicContact CG2-CE1 3.58Å; V134-Y144 PolarHBondContact O-OH 2.84Å; N135-Y144 HydrophobicContact CB-CE2 3.9Å; N135-Y144 WeakPolarHBondContact CB-OH 3.35Å; Q139-Y144 HydrophobicContact CB-CD2 4.39Å; Q139-Y144 HydrophobicContact CG-CD2 4.04Å; Y144-I146 HydrophobicContact CD1-CG1 3.85Å; Y144-I146 HydrophobicContact CE1-CG1 4.21Å |
| 145 | V | 94.1 | Very high | 90.8 | Very high | 55 Ų | 55 | 76.1 Ų | 76.1 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 105.6 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | T102 K147 | T102-V145 HydrophobicContact CG2-CG2 4.05Å; V145-K147 HydrophobicContact CG1-CG 3.99Å; V145-K147 PolarHBondContact O-N 3.05Å |
| 146 | I | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 106.7 | 176.7 | -56.2 | 168.7 | 0 | 0 | 0 | 107.7 | S100 V101 I103 I121 V123 V134 Y144 Q149 I157 | S100-I146 CarbonylContact C-O 3.57Å; S100-I146 WeakPolarHBondContact CA-O 3.42Å; S100-I146 WeakPolarHBondContact CB-O 3.47Å; V101-I146 PolarHBondContact N-O 3.38Å; V101-I146 WeakPolarHBondContact O-CB 2.95Å; V101-I146 PolarHBondContact O-N 3.45Å; I103-I146 HydrophobicContact CD1-CD1 4.24Å; I103-I146 HydrophobicContact CG1-CD1 4.42Å; I103-I146 HydrophobicContact CG2-CD1 4.44Å; I121-I146 HydrophobicContact CG2-CD1 4.12Å; I121-I146 HydrophobicContact CG2-CG1 4.16Å; V123-I146 HydrophobicContact CG2-CD1 3.87Å; V123-I146 HydrophobicContact CG2-CG1 4.45Å; V123-I146 HydrophobicContact CG2-CG2 3.86Å; V134-I146 HydrophobicContact CG1-CG2 4.36Å; V134-I146 HydrophobicContact CG2-CG1 4.33Å; Y144-I146 HydrophobicContact CD1-CG1 3.85Å; Y144-I146 HydrophobicContact CE1-CG1 4.21Å; I146-Q149 HydrophobicContact CG2-CG 3.96Å; I146-I157 HydrophobicContact CD1-CD1 3.68Å; I146-I157 HydrophobicContact CD1-CG1 4.02Å; I146-I157 HydrophobicContact CD1-CG2 3.8Å |
| 147 | K | 89.2 | Confident | 91 | Very high | 139 Ų | 139 | 69.1 Ų | 69.1 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | trans | -96.8 | 174.9 | -177.8 | -62.5 | 179.5 | -177.7 | 176.3 | 0 | 112.6 | N99 V145 Q149 | N99-K147 CarbonylContact O-C 3.56Å; V145-K147 HydrophobicContact CG1-CG 3.99Å; V145-K147 PolarHBondContact O-N 3.05Å; K147-Q149 VanDerWaalsContact C-N 3.34Å; K147-Q149 PolarHBondContact O-N 2.97Å; K147-Q149 PolarHBondContact O-NE2 2.93Å | ||
| 148 | N | 85.4 | Confident | 91.1 | Very high | 137 Ų | 137 | 65.2 Ų | 65.2 | 73% | 0.733 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 61.4 | 37.5 | 172.7 | -57.4 | -29.5 | 0 | 0 | 0 | 113.7 | N99 | N99-N148 PolarHBondContact O-N 3.39Å; N99-N148 WeakPolarHBondContact OD1-CA 3.14Å; N99-N148 PolarHBondContact OD1-N 3.47Å |
| 149 | Q | 87.6 | Confident | 91.2 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 142.5 | 176.8 | -56.7 | -53.5 | -53.6 | 0 | 0 | 111.6 | N99 I146 K147 T151 L155 V179 | N99-Q149 WeakPolarHBondContact CA-O 3.41Å; N99-Q149 PolarHBondContact O-N 3.25Å; N99-Q149 PolarHBondContact OD1-N 3.04Å; N99-Q149 PolarHBondContact OD1-O 2.91Å; I146-Q149 HydrophobicContact CG2-CG 3.96Å; K147-Q149 VanDerWaalsContact C-N 3.34Å; K147-Q149 PolarHBondContact O-N 2.97Å; K147-Q149 PolarHBondContact O-NE2 2.93Å; Q149-T151 PolarHBondContact O-N 2.79Å; Q149-L155 HydrophobicContact CB-CD1 4.05Å; Q149-L155 HydrophobicContact CG-CD1 3.67Å; Q149-V179 HydrophobicContact CB-CG1 4.2Å; Q149-V179 HydrophobicContact CB-CG2 3.9Å |
| 150 | T | 82.6 | Confident | 91.3 | Very high | 91 Ų | 91 | 60.3 Ų | 60.3 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 126.1 | 178.7 | -51 | 0 | 0 | 0 | 0 | 110.2 | G152 D153 | T150-G152 PolarHBondContact O-N 2.94Å; T150-D153 WeakPolarHBondContact O-CB 3.26Å; T150-D153 PolarHBondContact O-N 2.77Å; T150-D153 VanDerWaalsContact O-N 3.07Å |
| 151 | T | 80.6 | Confident | 91.4 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 130.2 | 173.1 | -47.1 | 0 | 0 | 0 | 0 | 111 | D98 Q149 E181 | D98-T151 PolarHBondContact O-OG1 3.23Å; Q149-T151 PolarHBondContact O-N 2.79Å; T151-E181 HydrophobicContact CG2-CB 3.85Å; T151-E181 HydrophobicContact CG2-CG 4.48Å |
| 152 | G | 78 | Confident | 91.4 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -12.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T150 L178 V179 | T150-G152 PolarHBondContact O-N 2.94Å; G152-L178 WeakPolarHBondContact O-CD1 3.3Å; G152-V179 PolarHBondContact N-O 3.28Å |
| 153 | D | 85.9 | Confident | 91.2 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | trans | -72.1 | 145.2 | 174.5 | -80.3 | -7.9 | 0 | 0 | 0 | 111.5 | K125 T150 L155 L178 V179 | K125-D153 WeakPolarHBondContact CE-OD1 3.48Å; K125-D153 IonicContact NZ-OD1 2.77Å; K125-D153 PolarHBondContact NZ-OD1 3.11Å; K125-D153 IonicContact NZ-OD2 3.56Å; K125-D153 PolarHBondContact NZ-OD2 2.72Å; T150-D153 WeakPolarHBondContact O-CB 3.26Å; T150-D153 PolarHBondContact O-N 2.77Å; T150-D153 VanDerWaalsContact O-N 3.07Å; D153-L155 HydrophobicContact CB-CD2 4.25Å; D153-L178 WeakPolarHBondContact O-CA 3.26Å; D153-V179 PolarHBondContact O-N 3.37Å | ||
| 154 | R | 90.2 | Very high | 90.9 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.7 | 169.3 | -65.8 | -178.1 | 75.3 | -169 | 5.6 | 108.5 | D126 P176 V177 L178 | D126-R154 HydrophobicContact CB-CB 3.58Å; D126-R154 VanDerWaalsContact CB-O 3.28Å; D126-R154 WeakPolarHBondContact CB-O 3.19Å; D126-R154 PolarHBondContact N-O 2.91Å; D126-R154 IonicContact OD2-CZ 3.64Å; D126-R154 IonicContact OD2-NE 2.7Å; D126-R154 IonicContact OD2-NH1 3.71Å; D126-R154 PolarHBondContact OD2-NH1 2.9Å; R154-P176 HydrophobicContact CB-CB 4.2Å; R154-V177 CarbonylContact C-O 3.53Å; R154-V177 WeakPolarHBondContact CA-O 3.47Å; R154-L178 HydrophobicContact CG-CB 4.43Å; R154-L178 HydrophobicContact CG-CD1 3.81Å |
| 155 | L | 91.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126 | -172 | -58.6 | 176.7 | 0 | 0 | 0 | 110.7 | V123 Q149 D153 I157 P176 V177 V179 | V123-L155 HydrophobicContact CG1-CB 4.05Å; V123-L155 HydrophobicContact CG1-CD1 4.19Å; V123-L155 HydrophobicContact CG1-CD2 3.86Å; V123-L155 HydrophobicContact CG1-CG 4.25Å; Q149-L155 HydrophobicContact CB-CD1 4.05Å; Q149-L155 HydrophobicContact CG-CD1 3.67Å; D153-L155 HydrophobicContact CB-CD2 4.25Å; L155-I157 HydrophobicContact CB-CG1 4.36Å; L155-P176 CarbonylContact O-C 3.48Å; L155-P176 VanDerWaalsContact O-CA 3.28Å; L155-P176 WeakPolarHBondContact O-CA 3.2Å; L155-V177 PolarHBondContact N-O 2.99Å; L155-V177 PolarHBondContact O-N 2.95Å; L155-V179 HydrophobicContact CD1-CG2 3.53Å; L155-V179 HydrophobicContact CG-CG2 4.05Å |
| 156 | K | 94.7 | Very high | 90.3 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 30% | 0.3 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131.7 | 162.5 | -62.9 | 176.5 | -176.6 | 171.8 | 0 | 107.8 | V123 C124 D126 W131 P176 | V123-K156 WeakPolarHBondContact CA-O 3.29Å; C124-K156 HydrophobicContact CB-CB 4.27Å; C124-K156 PolarHBondContact N-O 3.27Å; C124-K156 PolarHBondContact O-N 3.25Å; D126-K156 VanDerWaalsContact OD1-CE 3.23Å; D126-K156 WeakPolarHBondContact OD1-CE 3.08Å; D126-K156 IonicContact OD1-NZ 3.68Å; W131-K156 HydrophobicContact CH2-CB 3.57Å; W131-K156 HydrophobicContact CZ2-CB 4.14Å; W131-K156 HydrophobicContact CZ2-CD 4.5Å; W131-K156 HydrophobicContact CZ3-CB 4.16Å; W131-K156 WeakPolarHBondContact CZ3-O 3.32Å; K156-P176 HydrophobicContact CG-CB 4.35Å; K156-P176 HydrophobicContact CG-CG 4.09Å |
| 157 | I | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.9 | -175.8 | -57.5 | 167.7 | 0 | 0 | 0 | 108.4 | V101 I103 I121 V123 I146 L155 T172 L173 V177 | V101-I157 HydrophobicContact CB-CD1 4.42Å; V101-I157 HydrophobicContact CG1-CD1 3.9Å; I103-I157 HydrophobicContact CD1-CG2 3.9Å; I103-I157 HydrophobicContact CG2-CD1 4.21Å; I103-I157 HydrophobicContact CG2-CG2 4.32Å; I121-I157 HydrophobicContact CG2-CG2 4.48Å; V123-I157 HydrophobicContact CG2-CG1 4.39Å; I146-I157 HydrophobicContact CD1-CD1 3.68Å; I146-I157 HydrophobicContact CD1-CG1 4.02Å; I146-I157 HydrophobicContact CD1-CG2 3.8Å; L155-I157 HydrophobicContact CB-CG1 4.36Å; I157-T172 WeakPolarHBondContact O-CA 3.34Å; I157-L173 HydrophobicContact CB-CD1 3.88Å; I157-L173 HydrophobicContact CB-CG 4.37Å; I157-L173 HydrophobicContact CD1-CD1 3.95Å; I157-L173 HydrophobicContact CG1-CD1 4.33Å; I157-L173 PolarHBondContact O-N 2.83Å; I157-V177 HydrophobicContact CD1-CB 4.29Å; I157-V177 HydrophobicContact CD1-CG2 3.85Å |
| 158 | R | 96.9 | Very high | 90.6 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 21% | 0.211 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.1 | 173.3 | 74.9 | -172 | -171.9 | -175.5 | -2 | 111.9 | E122 W131 P170 V171 T172 | E122-R158 HydrophobicContact CB-CG 3.93Å; E122-R158 PolarHBondContact N-O 3.4Å; E122-R158 PolarHBondContact O-N 3.02Å; E122-R158 IonicContact OE2-CZ 3.96Å; E122-R158 IonicContact OE2-NE 2.67Å; E122-R158 PolarHBondContact OE2-NE 3.07Å; E122-R158 IonicContact OE2-NH2 3.28Å; E122-R158 PolarHBondContact OE2-NH2 3.37Å; W131-R158 HydrophobicContact CD2-CG 4.46Å; W131-R158 HydrophobicContact CE3-CG 3.73Å; W131-R158 HydrophobicContact CH2-CB 4.1Å; W131-R158 HydrophobicContact CH2-CG 4.01Å; W131-R158 HydrophobicContact CZ3-CB 3.89Å; W131-R158 HydrophobicContact CZ3-CG 3.49Å; W131-R158 VanDerWaalsContact CZ3-CG 3.49Å; R158-P170 HydrophobicContact CB-CB 4.09Å; R158-P170 HydrophobicContact CG-CB 4Å; R158-V171 CarbonylContact C-O 3.45Å; R158-V171 WeakPolarHBondContact CA-O 3.33Å; R158-V171 VanDerWaalsContact CB-O 3.25Å; R158-V171 WeakPolarHBondContact CB-O 3.45Å; R158-T172 HydrophobicContact CB-CG2 4.16Å; R158-T172 WeakPolarHBondContact CB-OG1 3.43Å |
| 159 | V | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.9 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | P88 L91 I103 W105 Y119 I121 P170 V171 | P88-V159 HydrophobicContact CG-CB 4.43Å; P88-V159 HydrophobicContact CG-CG1 4.03Å; L91-V159 HydrophobicContact CD1-CG2 3.7Å; L91-V159 HydrophobicContact CD2-CG2 4.03Å; I103-V159 HydrophobicContact CD1-CG2 3.8Å; W105-V159 HydrophobicContact CD2-CG1 3.98Å; W105-V159 HydrophobicContact CD2-CG2 4.21Å; W105-V159 HydrophobicContact CE3-CG1 4.47Å; W105-V159 HydrophobicContact CE3-CG2 4.01Å; W105-V159 HydrophobicContact CG-CG1 4.31Å; W105-V159 HydrophobicContact CZ2-CG1 4.12Å; W105-V159 HydrophobicContact CZ3-CG2 4.36Å; Y119-V159 HydrophobicContact CD1-CG1 3.94Å; Y119-V159 HydrophobicContact CG-CG1 4.26Å; I121-V159 HydrophobicContact CG1-CG2 4.45Å; V159-P170 WeakPolarHBondContact O-CA 3.23Å; V159-V171 HydrophobicContact CB-CG1 3.99Å; V159-V171 PolarHBondContact N-O 3.15Å; V159-V171 PolarHBondContact O-N 3.47Å |
| 160 | V | 97.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.7 | 180 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | Y119 V120 R167 S168 P170 | Y119-V160 CarbonylContact C-O 3.58Å; Y119-V160 VanDerWaalsContact CA-O 3.27Å; Y119-V160 WeakPolarHBondContact CA-O 3.46Å; V120-V160 HydrophobicContact CB-CB 4.42Å; V120-V160 PolarHBondContact N-O 3.1Å; V120-V160 PolarHBondContact O-N 2.88Å; V160-R167 HydrophobicContact CG1-CB 3.85Å; V160-R167 HydrophobicContact CG1-CG 4.4Å; V160-S168 WeakPolarHBondContact CG1-O 3.45Å; V160-P170 HydrophobicContact CG2-CB 3.73Å |
| 161 | A | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 148.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T85 P88 P108 L116 Y119 S168 | T85-A161 WeakPolarHBondContact OG1-CB 3.45Å; P88-A161 HydrophobicContact CG-CB 4.07Å; P108-A161 HydrophobicContact CG-CB 3.59Å; L116-A161 HydrophobicContact CD1-CB 3.94Å; Y119-A161 HydrophobicContact CD1-CB 3.99Å; Y119-A161 HydrophobicContact CE1-CB 3.95Å; A161-S168 PolarHBondContact N-OG 2.7Å; A161-S168 PolarHBondContact O-N 3.1Å; A161-S168 PolarHBondContact O-OG 3.23Å |
| 162 | V | 95.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.4 | -178.6 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | D117 G118 V120 L138 G166 R167 | D117-V162 WeakPolarHBondContact CA-O 3.37Å; D117-V162 WeakPolarHBondContact CB-O 3.46Å; D117-V162 PolarHBondContact N-O 3.23Å; G118-V162 PolarHBondContact N-O 3.16Å; G118-V162 VanDerWaalsContact N-O 3.16Å; G118-V162 PolarHBondContact O-N 3.47Å; V120-V162 HydrophobicContact CG2-CG2 3.82Å; L138-V162 HydrophobicContact CD1-CB 4.15Å; L138-V162 HydrophobicContact CD1-CG1 4.11Å; L138-V162 HydrophobicContact CD2-CB 4Å; L138-V162 HydrophobicContact CD2-CG1 4.39Å; L138-V162 HydrophobicContact CD2-CG2 3.83Å; V162-G166 WeakPolarHBondContact CA-O 3.4Å; V162-R167 HydrophobicContact CG2-CG 4.2Å |
| 163 | N | 92.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | -174.9 | 166.6 | 70.5 | -0.9 | 0 | 0 | 0 | 109.9 | E83 P84 T85 I111 S114 G115 D117 G165 G166 | E83-N163 PolarHBondContact O-ND2 3.11Å; P84-N163 WeakPolarHBondContact CA-OD1 3.41Å; T85-N163 HydrophobicContact CG2-CB 3.79Å; T85-N163 WeakPolarHBondContact CG2-ND2 3.31Å; T85-N163 PolarHBondContact N-ND2 3.42Å; I111-N163 PolarHBondContact O-ND2 2.63Å; S114-N163 PolarHBondContact OG-ND2 2.74Å; G115-N163 WeakPolarHBondContact O-CB 3.17Å; D117-N163 VanDerWaalsContact OD2-CA 3.23Å; D117-N163 WeakPolarHBondContact OD2-CA 3.4Å; N163-G165 PolarHBondContact O-N 2.97Å; N163-G165 VanDerWaalsContact O-N 3.15Å; N163-G165 VanDerWaalsContact OD1-CA 3.26Å; N163-G165 WeakPolarHBondContact OD1-CA 3.32Å; N163-G165 PolarHBondContact OD1-N 3.35Å; N163-G166 PolarHBondContact N-O 3.48Å; N163-G166 VanDerWaalsContact N-O 3.1Å; N163-G166 WeakPolarHBondContact O-CA 3.42Å; N163-G166 PolarHBondContact O-N 3.44Å; N163-G166 PolarHBondContact OD1-N 2.77Å; N163-G166 VanDerWaalsContact OD1-N 3.13Å; N163-G166 PolarHBondContact OD1-O 2.98Å |
| 164 | E | 89.4 | Confident | 93.9 | Very high | 110 Ų | 110 | 45.9 Ų | 45.9 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.8 | 176.2 | -61.3 | -179.5 | 108.1 | 0 | 0 | 113.9 | K82 S114 D117 G166 | K82-E164 HydrophobicContact CD-CB 3.6Å; K82-E164 HydrophobicContact CD-CG 4.44Å; K82-E164 VanDerWaalsContact CD-OE2 3.31Å; K82-E164 WeakPolarHBondContact CD-OE2 3.29Å; K82-E164 WeakPolarHBondContact CE-OE2 3.13Å; K82-E164 IonicContact NZ-OE1 2.69Å; K82-E164 PolarHBondContact NZ-OE1 3.14Å; K82-E164 IonicContact NZ-OE2 2.58Å; K82-E164 PolarHBondContact NZ-OE2 3.26Å; S114-E164 VanDerWaalsContact CB-OE2 3.25Å; S114-E164 WeakPolarHBondContact CB-OE2 3.47Å; D117-E164 PolarHBondContact OD2-N 2.63Å; D117-E164 VanDerWaalsContact OD2-N 3.08Å; E164-G166 VanDerWaalsContact C-N 3.31Å |
| 165 | G | 86.1 | Confident | 94 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K82 N163 | K82-G165 WeakPolarHBondContact O-CA 3.31Å; N163-G165 PolarHBondContact O-N 2.97Å; N163-G165 VanDerWaalsContact O-N 3.15Å; N163-G165 VanDerWaalsContact OD1-CA 3.26Å; N163-G165 WeakPolarHBondContact OD1-CA 3.32Å; N163-G165 PolarHBondContact OD1-N 3.35Å |
| 166 | G | 89.4 | Confident | 93.9 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.4 | -153.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V162 N163 E164 | V162-G166 WeakPolarHBondContact CA-O 3.4Å; N163-G166 PolarHBondContact N-O 3.48Å; N163-G166 VanDerWaalsContact N-O 3.1Å; N163-G166 WeakPolarHBondContact O-CA 3.42Å; N163-G166 PolarHBondContact O-N 3.44Å; N163-G166 PolarHBondContact OD1-N 2.77Å; N163-G166 VanDerWaalsContact OD1-N 3.13Å; N163-G166 PolarHBondContact OD1-O 2.98Å; E164-G166 VanDerWaalsContact C-N 3.31Å |
| 167 | R | 94.9 | Very high | 93.7 | Very high | 132 Ų | 132 | 46 Ų | 46 | 50% | 0.498 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.6 | -174 | -61.2 | -177.9 | 72 | 173.9 | 0.2 | 110.8 | E122 V160 V162 | E122-R167 VanDerWaalsContact CD-NH2 3.34Å; E122-R167 IonicContact OE1-CZ 3.4Å; E122-R167 IonicContact OE1-NH1 2.83Å; E122-R167 IonicContact OE1-NH2 2.8Å; E122-R167 PolarHBondContact OE1-NH2 3.42Å; E122-R167 IonicContact OE2-NH2 3.34Å; V160-R167 HydrophobicContact CG1-CB 3.85Å; V160-R167 HydrophobicContact CG1-CG 4.4Å; V162-R167 HydrophobicContact CG2-CG 4.2Å |
| 168 | S | 94.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 166.7 | 171.2 | 78.2 | 0 | 0 | 0 | 0 | 111.9 | T85 S86 V160 A161 | T85-S168 WeakPolarHBondContact O-CB 3.18Å; T85-S168 WeakPolarHBondContact OG1-CB 3.38Å; S86-S168 VanDerWaalsContact O-CB 3.23Å; S86-S168 WeakPolarHBondContact O-CB 3.22Å; V160-S168 WeakPolarHBondContact CG1-O 3.45Å; A161-S168 PolarHBondContact N-OG 2.7Å; A161-S168 PolarHBondContact O-N 3.1Å; A161-S168 PolarHBondContact O-OG 3.23Å |
| 169 | P | 95.3 | Very high | 92.6 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 53% | 0.532 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 146.5 | 156 | -21.7 | 33.8 | 0 | 0 | 0 | 110.9 | A87 | A87-P169 WeakPolarHBondContact CA-O 3.46Å; A87-P169 HydrophobicContact CB-CB 4.43Å; A87-P169 WeakPolarHBondContact CB-O 3.3Å |
| 170 | P | 96.2 | Very high | 91.3 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 146.1 | 179.1 | 29.1 | -32.8 | 0 | 0 | 0 | 112.5 | R158 V159 V160 | R158-P170 HydrophobicContact CB-CB 4.09Å; R158-P170 HydrophobicContact CG-CB 4Å; V159-P170 WeakPolarHBondContact O-CA 3.23Å; V160-P170 HydrophobicContact CG2-CB 3.73Å |
| 171 | V | 96.8 | Very high | 89.9 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.9 | 158.7 | 61.9 | 0 | 0 | 0 | 0 | 109.2 | P88 L91 R158 V159 | P88-V171 HydrophobicContact CB-CG1 3.76Å; P88-V171 HydrophobicContact CG-CG1 3.89Å; P88-V171 WeakPolarHBondContact O-CB 3.24Å; P88-V171 WeakPolarHBondContact O-CG1 3.33Å; L91-V171 HydrophobicContact CB-CG1 4.01Å; L91-V171 HydrophobicContact CB-CG2 3.88Å; L91-V171 HydrophobicContact CD2-CG1 4.13Å; L91-V171 WeakPolarHBondContact CD2-O 3.27Å; R158-V171 CarbonylContact C-O 3.45Å; R158-V171 WeakPolarHBondContact CA-O 3.33Å; R158-V171 VanDerWaalsContact CB-O 3.25Å; R158-V171 WeakPolarHBondContact CB-O 3.45Å; V159-V171 HydrophobicContact CB-CG1 3.99Å; V159-V171 PolarHBondContact N-O 3.15Å; V159-V171 PolarHBondContact O-N 3.47Å |
| 172 | T | 95.7 | Very high | 88.8 | Confident | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.2 | -174.9 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | W131 I157 R158 | W131-T172 HydrophobicContact CH2-CG2 4.02Å; I157-T172 WeakPolarHBondContact O-CA 3.34Å; R158-T172 HydrophobicContact CB-CG2 4.16Å; R158-T172 WeakPolarHBondContact CB-OG1 3.43Å |
| 173 | L | 94.8 | Very high | 87.9 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.094 | 32% | 0.321 | C | S | . | . | trans | -58.6 | 140.3 | 171.3 | -74.6 | 178.2 | 0 | 0 | 0 | 110.5 | L91 V93 I157 E175 V177 | L91-L173 HydrophobicContact CD2-CD2 4.17Å; L91-L173 HydrophobicContact CD2-CG 3.97Å; L91-L173 HydrophobicContact CG-CD2 3.76Å; L91-L173 HydrophobicContact CG-CG 4.09Å; L91-L173 WeakPolarHBondContact O-CD2 3.28Å; V93-L173 HydrophobicContact CG2-CD1 3.61Å; V93-L173 HydrophobicContact CG2-CD2 4.44Å; I157-L173 HydrophobicContact CB-CD1 3.88Å; I157-L173 HydrophobicContact CB-CG 4.37Å; I157-L173 HydrophobicContact CD1-CD1 3.95Å; I157-L173 HydrophobicContact CG1-CD1 4.33Å; I157-L173 PolarHBondContact O-N 2.83Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 3.02Å; L173-V177 HydrophobicContact CD1-CG2 3.5Å | ||
| 174 | P | 90.8 | Very high | 87.4 | Confident | 127 Ų | 127 | 61.5 Ų | 61.5 | 83% | 0.825 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -66.4 | -30.6 | -177.2 | 25.9 | -34.1 | 0 | 0 | 0 | 112.8 | ||
| 175 | E | 91.3 | Very high | 87.3 | Confident | 149 Ų | 149 | 63.7 Ų | 63.7 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -128.1 | 144.6 | 179 | -65.1 | -166.9 | 170.5 | 0 | 0 | 112.1 | L173 | L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 3.02Å |
| 176 | P | 91.3 | Very high | 87.7 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 135 | 172.6 | -20.8 | 31.2 | 0 | 0 | 0 | 112.6 | D126 R154 L155 K156 | D126-P176 HydrophobicContact CB-CB 4.27Å; D126-P176 HydrophobicContact CB-CG 4.49Å; R154-P176 HydrophobicContact CB-CB 4.2Å; L155-P176 CarbonylContact O-C 3.48Å; L155-P176 VanDerWaalsContact O-CA 3.28Å; L155-P176 WeakPolarHBondContact O-CA 3.2Å; K156-P176 HydrophobicContact CG-CB 4.35Å; K156-P176 HydrophobicContact CG-CG 4.09Å |
| 177 | V | 89.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121 | -179.5 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | V93 K96 V101 R154 L155 I157 L173 | V93-V177 HydrophobicContact CG2-CG1 4.47Å; V93-V177 HydrophobicContact CG2-CG2 3.58Å; K96-V177 HydrophobicContact CD-CG1 4.35Å; V101-V177 HydrophobicContact CG1-CG1 4.04Å; V101-V177 HydrophobicContact CG2-CG1 4.04Å; R154-V177 CarbonylContact C-O 3.53Å; R154-V177 WeakPolarHBondContact CA-O 3.47Å; L155-V177 PolarHBondContact N-O 2.99Å; L155-V177 PolarHBondContact O-N 2.95Å; I157-V177 HydrophobicContact CD1-CB 4.29Å; I157-V177 HydrophobicContact CD1-CG2 3.85Å; L173-V177 HydrophobicContact CD1-CG2 3.5Å |
| 178 | L | 87.4 | Confident | 88.2 | Confident | 69 Ų | 69 | 62 Ų | 62 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 119.5 | 170 | -179.2 | 68.5 | 0 | 0 | 0 | 110.1 | G152 D153 R154 K180 | G152-L178 WeakPolarHBondContact O-CD1 3.3Å; D153-L178 WeakPolarHBondContact O-CA 3.26Å; R154-L178 HydrophobicContact CG-CB 4.43Å; R154-L178 HydrophobicContact CG-CD1 3.81Å; L178-K180 HydrophobicContact CD2-CG 4.07Å; L178-K180 HydrophobicContact CG-CG 4.16Å; L178-K180 PolarHBondContact O-N 2.68Å |
| 179 | V | 81.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -73.4 | 112.5 | 171.4 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | N97 D98 V101 Q149 G152 D153 L155 | N97-V179 WeakPolarHBondContact O-CG1 3.47Å; D98-V179 VanDerWaalsContact O-CG1 3.3Å; D98-V179 WeakPolarHBondContact O-CG1 3.44Å; V101-V179 HydrophobicContact CG2-CG2 4.26Å; Q149-V179 HydrophobicContact CB-CG1 4.2Å; Q149-V179 HydrophobicContact CB-CG2 3.9Å; G152-V179 PolarHBondContact N-O 3.28Å; D153-V179 PolarHBondContact O-N 3.37Å; L155-V179 HydrophobicContact CD1-CG2 3.53Å; L155-V179 HydrophobicContact CG-CG2 4.05Å | ||
| 180 | K | 71.6 | Confident | 88.3 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 45% | 0.452 | 33% | 0.331 | S | S | . | . | trans | -105.7 | 145 | -176.4 | -71.6 | -171.2 | 174.3 | -169.7 | 0 | 110.4 | N97 D98 L178 | N97-K180 CarbonylContact C-O 3.55Å; N97-K180 VanDerWaalsContact O-O 3.05Å; D98-K180 WeakPolarHBondContact CA-O 3.36Å; D98-K180 PolarHBondContact N-O 2.8Å; D98-K180 VanDerWaalsContact N-O 3.08Å; L178-K180 HydrophobicContact CD2-CG 4.07Å; L178-K180 HydrophobicContact CG-CG 4.16Å; L178-K180 PolarHBondContact O-N 2.68Å | ||
| 181 | E | 67.5 | Low | 88.2 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | trans | -55.3 | 142.8 | 175.8 | -160.4 | 175.1 | -179.4 | 0 | 0 | 110.4 | D98 T151 A183 K215 | D98-E181 HydrophobicContact CB-CG 4.49Å; T151-E181 HydrophobicContact CG2-CB 3.85Å; T151-E181 HydrophobicContact CG2-CG 4.48Å; E181-A183 PolarHBondContact O-N 2.8Å; E181-K215 WeakPolarHBondContact OE1-CD 3.28Å; E181-K215 IonicContact OE1-NZ 2.78Å; E181-K215 PolarHBondContact OE1-NZ 2.94Å | ||
| 182 | V | 71.7 | Confident | 88 | Confident | 55 Ų | 55 | 73.2 Ų | 73.2 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | trans | -65.2 | 128.2 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 107.8 | N97 D98 D184 | N97-V182 HydrophobicContact CB-CG2 3.46Å; N97-V182 VanDerWaalsContact CB-CG2 3.46Å; D98-V182 HydrophobicContact CB-CB 4.4Å; D98-V182 HydrophobicContact CB-CG2 3.85Å; D98-V182 VanDerWaalsContact CG-CG2 3.47Å; D98-V182 VanDerWaalsContact N-CG2 3.35Å; D98-V182 WeakPolarHBondContact OD1-CG2 3.36Å; V182-D184 PolarHBondContact O-N 3.26Å; V182-D184 VanDerWaalsContact O-N 3.1Å | ||
| 183 | A | 76.3 | Confident | 87.8 | Confident | 19 Ų | 19 | 76 Ų | 76 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | trans | -67.8 | 107.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E181 K215 V264 E265 F267 | E181-A183 PolarHBondContact O-N 2.8Å; A183-K215 CarbonylContact C-O 3.47Å; A183-K215 WeakPolarHBondContact CA-O 3.42Å; A183-V264 HydrophobicContact CB-CG1 4.16Å; A183-E265 HydrophobicContact CB-CB 4.03Å; A183-E265 HydrophobicContact CB-CG 4.48Å; A183-F267 HydrophobicContact CB-CD2 4.26Å; A183-F267 HydrophobicContact CB-CE2 3.93Å | ||
| 184 | D | 83.4 | Confident | 87.7 | Confident | 81 Ų | 81 | 75.1 Ų | 75.1 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.8 | 167.9 | -76.1 | -31 | 0 | 0 | 0 | 109.1 | V182 K215 | V182-D184 PolarHBondContact O-N 3.26Å; V182-D184 VanDerWaalsContact O-N 3.1Å; D184-K215 HydrophobicContact CB-CB 4.06Å; D184-K215 PolarHBondContact N-O 2.93Å |
| 185 | R | 86.7 | Confident | 87.8 | Confident | 157 Ų | 157 | 77.2 Ų | 77.2 | 59% | 0.592 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 126.7 | 174.5 | 179.5 | 177.6 | -85.2 | -91.8 | 4.7 | 109.7 | F267 | R185-F267 HydrophobicContact CB-CD1 4.45Å; R185-F267 HydrophobicContact CB-CG 4.36Å; R185-F267 HydrophobicContact CG-CB 4.36Å; R185-F267 HydrophobicContact CG-CD1 4.41Å; R185-F267 HydrophobicContact CG-CG 4.43Å |
| 186 | P | 95.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.019 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 143.8 | 178.4 | 27.4 | -30.8 | 0 | 0 | 0 | 109.3 | T213 P218 L262 V264 F267 D269 | P186-T213 CarbonylContact C-O 3.6Å; P186-T213 VanDerWaalsContact CA-O 3.22Å; P186-T213 WeakPolarHBondContact CA-O 3.46Å; P186-P218 HydrophobicContact CB-CB 4.41Å; P186-P218 HydrophobicContact CB-CG 4.19Å; P186-L262 HydrophobicContact CB-CB 3.74Å; P186-L262 HydrophobicContact CB-CD1 4.02Å; P186-L262 HydrophobicContact CG-CB 4.23Å; P186-V264 HydrophobicContact CB-CG2 3.81Å; P186-V264 HydrophobicContact CG-CB 4.22Å; P186-V264 HydrophobicContact CG-CG2 3.93Å; P186-F267 HydrophobicContact CG-CB 4.14Å; P186-D269 HydrophobicContact CG-CB 4.41Å; P186-D269 WeakPolarHBondContact O-CB 3.32Å |
| 187 | K | 95.8 | Very high | 87.9 | Confident | 129 Ų | 129 | 82.9 Ų | 82.9 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 118.7 | 178.9 | -172.9 | 172 | -175.3 | 168.4 | 0 | 110.9 | F212 T213 D269 | K187-F212 CarbonylContact O-C 3.5Å; K187-F212 VanDerWaalsContact O-CA 3.22Å; K187-F212 WeakPolarHBondContact O-CA 3.25Å; K187-T213 PolarHBondContact N-O 2.79Å; K187-T213 PolarHBondContact O-N 3.46Å; K187-D269 WeakPolarHBondContact CA-OD2 3.36Å |
| 188 | I | 97.4 | Very high | 88.2 | Confident | 18 Ų | 18 | 85.1 Ų | 85.1 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.9 | 173.9 | -59.1 | 172.3 | 0 | 0 | 0 | 109 | I210 M260 L262 D269 V271 | I188-I210 HydrophobicContact CG2-CG2 3.63Å; I188-M260 HydrophobicContact CB-CE 4.12Å; I188-M260 HydrophobicContact CD1-CE 3.65Å; I188-M260 HydrophobicContact CG1-CE 3.63Å; I188-M260 HydrophobicContact CG2-CE 3.38Å; I188-L262 HydrophobicContact CD1-CD1 4.28Å; I188-L262 HydrophobicContact CD1-CG 4.02Å; I188-L262 HydrophobicContact CG1-CD1 3.38Å; I188-L262 HydrophobicContact CG1-CG 3.66Å; I188-D269 HydrophobicContact CD1-CB 4.49Å; I188-D269 HydrophobicContact CG1-CB 4.42Å; I188-D269 PolarHBondContact N-OD2 2.8Å; I188-V271 HydrophobicContact CD1-CB 4.14Å; I188-V271 HydrophobicContact CD1-CG1 4.02Å; I188-V271 HydrophobicContact CG2-CB 4.18Å; I188-V271 HydrophobicContact CG2-CG1 3.72Å |
| 189 | R | 96.1 | Very high | 88.6 | Confident | 154 Ų | 154 | 84.6 Ų | 84.6 | 58% | 0.581 | 37% | 0.369 | S | S | * | . | trans | -103.5 | 82.4 | 176.5 | -64.9 | -171 | -179.7 | -167.9 | 0.1 | 109.9 | P191 P211 | R189-P191 WeakPolarHBondContact O-CD 3.39Å; R189-P211 HydrophobicContact CB-CB 4.35Å; R189-P211 PolarHBondContact N-O 2.87Å | ||
| 190 | M | 95.7 | Very high | 89.3 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | trans | -64.4 | 114.4 | -177.4 | -163.2 | 60.3 | 162.3 | 0 | 0 | 112.2 | L194 R195 I210 V271 L273 | M190-L194 HydrophobicContact CE-CB 3.56Å; M190-L194 WeakPolarHBondContact CE-O 3.24Å; M190-L194 HydrophobicContact CG-CB 4.49Å; M190-L194 HydrophobicContact SD-CB 4.07Å; M190-R195 HydrophobicContact CB-CG 4.48Å; M190-R195 HydrophobicContact CG-CG 4.06Å; M190-R195 PolarHBondContact O-NE 3.06Å; M190-I210 HydrophobicContact CE-CD1 4.26Å; M190-I210 HydrophobicContact SD-CD1 3.87Å; M190-I210 HydrophobicContact SD-CG1 4.47Å; M190-I210 HydrophobicContact SD-CG2 4.17Å; M190-V271 HydrophobicContact CB-CG2 4.27Å; M190-V271 HydrophobicContact CE-CG1 4.39Å; M190-V271 HydrophobicContact CE-CG2 4.18Å; M190-V271 HydrophobicContact CG-CG2 4.04Å; M190-V271 HydrophobicContact SD-CG1 3.99Å; M190-V271 HydrophobicContact SD-CG2 4Å; M190-L273 HydrophobicContact CE-CB 3.47Å; M190-L273 VanDerWaalsContact CE-CB 3.47Å | ||
| 191 | P | 94.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 83.9 Ų | 83.9 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | trans | -58.4 | 143.7 | 177 | -23.7 | 34.3 | 0 | 0 | 0 | 111.8 | R189 F193 L194 R195 | R189-P191 WeakPolarHBondContact O-CD 3.39Å; P191-F193 VanDerWaalsContact C-N 3.26Å; P191-F193 HydrophobicContact CB-CD1 3.69Å; P191-F193 HydrophobicContact CB-CE1 3.33Å; P191-F193 HydrophobicContact CB-CZ 3.99Å; P191-F193 HydrophobicContact CG-CE1 4.15Å; P191-F193 HydrophobicContact CG-CZ 4.44Å; P191-F193 PolarHBondContact O-N 3.48Å; P191-L194 HydrophobicContact CB-CD1 4.45Å; P191-L194 HydrophobicContact CB-CG 4.42Å; P191-L194 HydrophobicContact CG-CD1 4.08Å; P191-L194 PolarHBondContact O-N 2.78Å; P191-R195 PolarHBondContact O-N 2.79Å | ||
| 192 | R | 93.4 | Very high | 91.8 | Very high | 210 Ų | 210 | 82.6 Ų | 82.6 | 79% | 0.792 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -54.1 | -40.7 | -175.6 | -80.5 | -175.1 | 163.2 | 123.8 | -3.3 | 113.4 | L194 R195 | R192-L194 PolarHBondContact O-N 3.29Å; R192-R195 WeakPolarHBondContact O-CB 3.48Å; R192-R195 PolarHBondContact O-N 2.84Å |
| 193 | F | 90.3 | Very high | 93 | Very high | 124 Ų | 124 | 82 Ų | 82 | 54% | 0.544 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -69.9 | -16.2 | -179.6 | 69.6 | -88.9 | 0 | 0 | 0 | 113.9 | P191 Y198 | P191-F193 VanDerWaalsContact C-N 3.26Å; P191-F193 HydrophobicContact CB-CD1 3.69Å; P191-F193 HydrophobicContact CB-CE1 3.33Å; P191-F193 HydrophobicContact CB-CZ 3.99Å; P191-F193 HydrophobicContact CG-CE1 4.15Å; P191-F193 HydrophobicContact CG-CZ 4.44Å; P191-F193 PolarHBondContact O-N 3.48Å; F193-Y198 HydrophobicContact CD2-CD2 4.14Å; F193-Y198 HydrophobicContact CD2-CE2 4.22Å; F193-Y198 HydrophobicContact CE2-CD2 4.42Å; F193-Y198 HydrophobicContact CE2-CE2 4.26Å |
| 194 | L | 93.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -98.4 | -9.2 | 175.8 | -60.7 | -178 | 0 | 0 | 0 | 113.3 | M190 P191 R192 Q196 Y198 L208 I210 | M190-L194 HydrophobicContact CE-CB 3.56Å; M190-L194 WeakPolarHBondContact CE-O 3.24Å; M190-L194 HydrophobicContact CG-CB 4.49Å; M190-L194 HydrophobicContact SD-CB 4.07Å; P191-L194 HydrophobicContact CB-CD1 4.45Å; P191-L194 HydrophobicContact CB-CG 4.42Å; P191-L194 HydrophobicContact CG-CD1 4.08Å; P191-L194 PolarHBondContact O-N 2.78Å; R192-L194 PolarHBondContact O-N 3.29Å; L194-Q196 CarbonylContact C-O 3.55Å; L194-Q196 PolarHBondContact O-N 3.24Å; L194-Q196 VanDerWaalsContact O-O 3.07Å; L194-Y198 HydrophobicContact CD2-CD2 3.61Å; L194-Y198 HydrophobicContact CD2-CE2 4.38Å; L194-Y198 HydrophobicContact CD2-CG 4.1Å; L194-L208 HydrophobicContact CD1-CB 4.43Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å; L194-I210 HydrophobicContact CD1-CD1 4.33Å; L194-I210 HydrophobicContact CD1-CG1 3.92Å |
| 195 | R | 91.3 | Very high | 94.6 | Very high | 171 Ų | 171 | 88.9 Ų | 88.9 | 65% | 0.645 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -67.7 | -22.7 | 175.9 | -64.7 | -178.5 | -174.1 | -167.5 | -4 | 112.6 | M190 P191 R192 | M190-R195 HydrophobicContact CB-CG 4.48Å; M190-R195 HydrophobicContact CG-CG 4.06Å; M190-R195 PolarHBondContact O-NE 3.06Å; P191-R195 PolarHBondContact O-N 2.79Å; R192-R195 WeakPolarHBondContact O-CB 3.48Å; R192-R195 PolarHBondContact O-N 2.84Å |
| 196 | Q | 91.4 | Very high | 95.1 | Very high | 158 Ų | 158 | 81.4 Ų | 81.4 | 74% | 0.738 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -104.9 | -177.5 | 170.7 | -61.2 | -171 | 25.4 | 0 | 0 | 109.7 | L194 Y198 | L194-Q196 CarbonylContact C-O 3.55Å; L194-Q196 PolarHBondContact O-N 3.24Å; L194-Q196 VanDerWaalsContact O-O 3.07Å; Q196-Y198 PolarHBondContact O-N 3.18Å |
| 197 | R | 94.5 | Very high | 95.1 | Very high | 143 Ų | 143 | 85.4 Ų | 85.4 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | trans | -63.6 | 118 | 174.4 | 176.7 | 168.9 | 55.5 | 164.3 | -12.4 | 111 | V199 T274 Q276 | R197-V199 HydrophobicContact CG-CG2 4.22Å; R197-T274 CarbonylContact C-O 3.37Å; R197-T274 WeakPolarHBondContact CA-O 3.32Å; R197-T274 HydrophobicContact CB-CG2 4.32Å; R197-T274 HydrophobicContact CG-CG2 4.03Å; R197-Q276 HydrophobicContact CG-CB 3.83Å; R197-Q276 VanDerWaalsContact CZ-OE1 3.32Å | ||
| 198 | Y | 95.7 | Very high | 95.1 | Very high | 60 Ų | 60 | 79.2 Ų | 79.2 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.6 | 170.6 | -173.4 | -89.2 | 0 | 0 | 0 | 109.3 | F193 L194 Q196 A200 V206 L208 T274 L275 Q276 | F193-Y198 HydrophobicContact CD2-CD2 4.14Å; F193-Y198 HydrophobicContact CD2-CE2 4.22Å; F193-Y198 HydrophobicContact CE2-CD2 4.42Å; F193-Y198 HydrophobicContact CE2-CE2 4.26Å; L194-Y198 HydrophobicContact CD2-CD2 3.61Å; L194-Y198 HydrophobicContact CD2-CE2 4.38Å; L194-Y198 HydrophobicContact CD2-CG 4.1Å; Q196-Y198 PolarHBondContact O-N 3.18Å; Y198-A200 HydrophobicContact CE1-CB 4.03Å; Y198-V206 HydrophobicContact CE1-CG1 4.19Å; Y198-L208 HydrophobicContact CD1-CD2 3.94Å; Y198-L208 HydrophobicContact CD2-CD2 4.06Å; Y198-L208 HydrophobicContact CE1-CD2 3.9Å; Y198-L208 HydrophobicContact CE2-CD2 4.01Å; Y198-L208 HydrophobicContact CG-CD2 4.01Å; Y198-T274 PolarHBondContact N-O 2.85Å; Y198-L275 HydrophobicContact CD1-CD1 3.55Å; Y198-L275 HydrophobicContact CE1-CD1 4.29Å; Y198-L275 HydrophobicContact CG-CD1 4.48Å; Y198-Q276 PolarHBondContact O-N 2.86Å |
| 199 | V | 95.5 | Very high | 95.1 | Very high | 59 Ų | 59 | 80.8 Ų | 80.8 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.9 | -176.6 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | R197 Q276 V278 K359 | R197-V199 HydrophobicContact CG-CG2 4.22Å; V199-Q276 WeakPolarHBondContact CA-O 3.19Å; V199-V278 HydrophobicContact CG1-CG1 4.1Å; V199-V278 HydrophobicContact CG1-CG2 3.61Å; V199-K359 VanDerWaalsContact CG1-NZ 3.26Å; V199-K359 VanDerWaalsContact CG2-NZ 3.34Å |
| 200 | A | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 73.4 Ų | 73.4 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 159.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y198 V206 Q276 I277 V278 | Y198-A200 HydrophobicContact CE1-CB 4.03Å; A200-V206 HydrophobicContact CB-CG2 3.87Å; A200-Q276 PolarHBondContact N-O 2.95Å; A200-Q276 VanDerWaalsContact N-O 3.1Å; A200-I277 HydrophobicContact CB-CD1 3.9Å; A200-I277 CarbonylContact O-C 3.44Å; A200-I277 VanDerWaalsContact O-CA 3.25Å; A200-I277 WeakPolarHBondContact O-CA 3.47Å; A200-V278 WeakPolarHBondContact O-CG2 3.47Å; A200-V278 PolarHBondContact O-N 2.88Å |
| 201 | Q | 96.4 | Very high | 95.3 | Very high | 86 Ų | 86 | 74.7 Ų | 74.7 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 156.7 | 176.4 | -55.8 | -174.7 | 23.5 | 0 | 0 | 111.5 | G203 E204 V278 V360 | Q201-G203 PolarHBondContact O-N 2.86Å; Q201-E204 HydrophobicContact CB-CG 4.01Å; Q201-E204 PolarHBondContact N-OE2 3.04Å; Q201-E204 WeakPolarHBondContact O-CB 3.06Å; Q201-E204 PolarHBondContact O-N 2.87Å; Q201-E204 VanDerWaalsContact O-N 3.13Å; Q201-V278 CarbonylContact C-O 3.51Å; Q201-V278 VanDerWaalsContact CA-O 3.23Å; Q201-V278 WeakPolarHBondContact CA-O 3.28Å; Q201-V278 HydrophobicContact CG-CG2 4.31Å; Q201-V360 HydrophobicContact CG-CG1 4.24Å |
| 202 | V | 96.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 73.8 Ų | 73.8 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 139.4 | 172 | 167.1 | 0 | 0 | 0 | 0 | 110.8 | E204 A250 I277 V278 E279 | V202-E204 VanDerWaalsContact C-N 3.26Å; V202-E204 PolarHBondContact O-N 3.3Å; V202-A250 WeakPolarHBondContact CA-O 3.39Å; V202-A250 WeakPolarHBondContact CG1-O 3.39Å; V202-I277 HydrophobicContact CB-CG2 4.34Å; V202-I277 HydrophobicContact CG2-CG2 3.4Å; V202-I277 VanDerWaalsContact CG2-CG2 3.4Å; V202-V278 PolarHBondContact N-O 3.09Å; V202-E279 HydrophobicContact CB-CG 3.67Å; V202-E279 WeakPolarHBondContact CB-OE1 3.16Å; V202-E279 WeakPolarHBondContact CG1-OE1 3.28Å; V202-E279 HydrophobicContact CG2-CG 3.29Å; V202-E279 WeakPolarHBondContact CG2-OE1 3.44Å |
| 203 | G | 95.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -16.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q201 A250 | Q201-G203 PolarHBondContact O-N 2.86Å; G203-A250 PolarHBondContact N-O 2.89Å |
| 204 | E | 96.8 | Very high | 95.3 | Very high | 90 Ų | 90 | 61.2 Ų | 61.2 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 152.2 | 179 | -69.3 | -171.5 | 146.9 | 0 | 0 | 112.4 | Q201 V202 A250 | Q201-E204 HydrophobicContact CB-CG 4.01Å; Q201-E204 PolarHBondContact N-OE2 3.04Å; Q201-E204 WeakPolarHBondContact O-CB 3.06Å; Q201-E204 PolarHBondContact O-N 2.87Å; Q201-E204 VanDerWaalsContact O-N 3.13Å; V202-E204 VanDerWaalsContact C-N 3.26Å; V202-E204 PolarHBondContact O-N 3.3Å; E204-A250 WeakPolarHBondContact O-CB 3.11Å; E204-A250 PolarHBondContact O-N 3.3Å |
| 205 | K | 96.6 | Very high | 94.8 | Very high | 155 Ų | 155 | 66 Ų | 66 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 124.3 | 170.6 | -70.7 | 168.1 | -173.9 | 173.4 | 0 | 109 | F246 I247 R248 | K205-F246 HydrophobicContact CB-CE2 4.44Å; K205-I247 WeakPolarHBondContact CA-O 3.42Å; K205-R248 WeakPolarHBondContact CG-O 3.48Å |
| 206 | V | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.9 | 172.7 | 179 | 0 | 0 | 0 | 0 | 108.4 | Y198 A200 L208 F246 I247 A250 L275 I277 | Y198-V206 HydrophobicContact CE1-CG1 4.19Å; A200-V206 HydrophobicContact CB-CG2 3.87Å; V206-L208 HydrophobicContact CG1-CD1 4.15Å; V206-L208 HydrophobicContact CG1-CD2 3.79Å; V206-L208 HydrophobicContact CG1-CG 3.72Å; V206-F246 CarbonylContact O-C 3.58Å; V206-F246 VanDerWaalsContact O-CA 3.32Å; V206-F246 WeakPolarHBondContact O-CA 3.42Å; V206-F246 WeakPolarHBondContact O-CD2 3.41Å; V206-I247 HydrophobicContact CB-CB 4.05Å; V206-I247 HydrophobicContact CB-CD1 4.37Å; V206-I247 HydrophobicContact CB-CG1 4.35Å; V206-I247 PolarHBondContact N-O 2.91Å; V206-I247 PolarHBondContact O-N 3.32Å; V206-A250 HydrophobicContact CG2-CB 4.01Å; V206-L275 HydrophobicContact CG1-CD1 4.23Å; V206-L275 HydrophobicContact CG1-CD2 4.42Å; V206-I277 HydrophobicContact CG2-CD1 4.14Å |
| 207 | N | 96.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 96.9 | 178.8 | -174 | 4.9 | 0 | 0 | 0 | 109.8 | I244 F246 | N207-I244 WeakPolarHBondContact OD1-CG2 3.33Å; N207-F246 HydrophobicContact CB-CD2 4.09Å |
| 208 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.1 | -176.3 | -47.8 | 179.9 | 0 | 0 | 0 | 108.9 | L194 Y198 V206 I244 L245 L273 | L194-L208 HydrophobicContact CD1-CB 4.43Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å; Y198-L208 HydrophobicContact CD1-CD2 3.94Å; Y198-L208 HydrophobicContact CD2-CD2 4.06Å; Y198-L208 HydrophobicContact CE1-CD2 3.9Å; Y198-L208 HydrophobicContact CE2-CD2 4.01Å; Y198-L208 HydrophobicContact CG-CD2 4.01Å; V206-L208 HydrophobicContact CG1-CD1 4.15Å; V206-L208 HydrophobicContact CG1-CD2 3.79Å; V206-L208 HydrophobicContact CG1-CG 3.72Å; L208-I244 CarbonylContact O-C 3.34Å; L208-I244 WeakPolarHBondContact O-CA 3.19Å; L208-L245 HydrophobicContact CB-CB 4.34Å; L208-L245 HydrophobicContact CD1-CD2 4.36Å; L208-L245 PolarHBondContact N-O 3.43Å; L208-L245 PolarHBondContact O-N 2.83Å; L208-L273 HydrophobicContact CD1-CD1 3.67Å; L208-L273 HydrophobicContact CD1-CD2 3.8Å; L208-L273 HydrophobicContact CD1-CG 4.44Å |
| 209 | T | 96.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.5 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | D242 I244 | T209-D242 HydrophobicContact CG2-CB 3.99Å; T209-I244 HydrophobicContact CG2-CG1 4.01Å |
| 210 | I | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108.6 | 178.5 | -52.2 | -173.4 | 0 | 0 | 0 | 108.9 | I188 M190 L194 W222 D242 S243 M260 L273 | I188-I210 HydrophobicContact CG2-CG2 3.63Å; M190-I210 HydrophobicContact CE-CD1 4.26Å; M190-I210 HydrophobicContact SD-CD1 3.87Å; M190-I210 HydrophobicContact SD-CG1 4.47Å; M190-I210 HydrophobicContact SD-CG2 4.17Å; L194-I210 HydrophobicContact CD1-CD1 4.33Å; L194-I210 HydrophobicContact CD1-CG1 3.92Å; I210-W222 HydrophobicContact CD1-CH2 3.47Å; I210-W222 VanDerWaalsContact CD1-CH2 3.47Å; I210-W222 HydrophobicContact CD1-CZ2 4.07Å; I210-W222 HydrophobicContact CD1-CZ3 4.41Å; I210-W222 HydrophobicContact CG1-CH2 4.25Å; I210-D242 WeakPolarHBondContact O-CA 3.11Å; I210-S243 PolarHBondContact N-O 2.88Å; I210-S243 PolarHBondContact O-N 3.07Å; I210-M260 HydrophobicContact CB-CE 3.97Å; I210-M260 HydrophobicContact CB-SD 4.13Å; I210-M260 HydrophobicContact CD1-CE 4.46Å; I210-M260 HydrophobicContact CD1-SD 4.36Å; I210-M260 HydrophobicContact CG2-CE 3.49Å; I210-M260 VanDerWaalsContact CG2-CE 3.49Å; I210-M260 HydrophobicContact CG2-SD 4.31Å; I210-L273 HydrophobicContact CD1-CD2 4.02Å |
| 211 | P | 97.7 | Very high | 94.3 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 150.4 | 175.1 | -18.8 | 31.9 | 0 | 0 | 0 | 112.5 | R189 R241 | R189-P211 HydrophobicContact CB-CB 4.35Å; R189-P211 PolarHBondContact N-O 2.87Å; P211-R241 CarbonylContact C-O 3.59Å; P211-R241 VanDerWaalsContact CA-O 3.28Å; P211-R241 WeakPolarHBondContact CA-O 3.48Å |
| 212 | F | 97.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 164.2 | 172.8 | 60.7 | -105 | 0 | 0 | 0 | 112.2 | K187 P218 V220 E240 R241 D242 L262 | K187-F212 CarbonylContact O-C 3.5Å; K187-F212 VanDerWaalsContact O-CA 3.22Å; K187-F212 WeakPolarHBondContact O-CA 3.25Å; F212-P218 HydrophobicContact CD2-CG 3.92Å; F212-P218 HydrophobicContact CE2-CB 4.39Å; F212-P218 HydrophobicContact CE2-CG 3.96Å; F212-V220 HydrophobicContact CD1-CG2 4.48Å; F212-V220 HydrophobicContact CE1-CG2 3.64Å; F212-V220 HydrophobicContact CZ-CG2 3.8Å; F212-E240 WeakPolarHBondContact CE2-O 3.4Å; F212-R241 PolarHBondContact N-O 3.12Å; F212-R241 VanDerWaalsContact O-O 3.07Å; F212-D242 WeakPolarHBondContact CE1-O 3.36Å; F212-L262 HydrophobicContact CB-CD1 3.36Å; F212-L262 HydrophobicContact CB-CD2 4.47Å; F212-L262 HydrophobicContact CD1-CD1 4.39Å; F212-L262 HydrophobicContact CD1-CD2 3.99Å; F212-L262 HydrophobicContact CD2-CD1 4.27Å; F212-L262 HydrophobicContact CE1-CD2 4.35Å; F212-L262 HydrophobicContact CG-CD1 3.79Å; F212-L262 HydrophobicContact CG-CD2 4.11Å |
| 213 | T | 93.6 | Very high | 94.4 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 159.6 | 169.3 | 57.2 | 0 | 0 | 0 | 0 | 109.4 | P186 K187 | P186-T213 CarbonylContact C-O 3.6Å; P186-T213 VanDerWaalsContact CA-O 3.22Å; P186-T213 WeakPolarHBondContact CA-O 3.46Å; K187-T213 PolarHBondContact N-O 2.79Å; K187-T213 PolarHBondContact O-N 3.46Å |
| 214 | G | 88.9 | Confident | 94.5 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.1 | 148 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P216 | G214-P216 CarbonylContact C-O 3.6Å |
| 215 | K | 83.9 | Confident | 94.2 | Very high | 100 Ų | 100 | 55.9 Ų | 55.9 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.2 | 179.8 | -67 | -170.9 | 177 | -172.3 | 0 | 108.8 | E181 A183 D184 V264 | E181-K215 WeakPolarHBondContact OE1-CD 3.28Å; E181-K215 IonicContact OE1-NZ 2.78Å; E181-K215 PolarHBondContact OE1-NZ 2.94Å; A183-K215 CarbonylContact C-O 3.47Å; A183-K215 WeakPolarHBondContact CA-O 3.42Å; D184-K215 HydrophobicContact CB-CB 4.06Å; D184-K215 PolarHBondContact N-O 2.93Å; K215-V264 VanDerWaalsContact O-CG1 3.3Å; K215-V264 WeakPolarHBondContact O-CG1 3.4Å |
| 216 | P | 85.1 | Confident | 93.8 | Very high | 48 Ų | 48 | 51.9 Ų | 51.9 | 31% | 0.312 | 29% | 0.286 | S | S | . | . | S | Bend | cis | -54.3 | 171.2 | -14.8 | -23.5 | 34.6 | 0 | 0 | 0 | 112.3 | G214 P218 | G214-P216 CarbonylContact C-O 3.6Å; P216-P218 WeakPolarHBondContact O-CD 3.12Å; P216-P218 VanDerWaalsContact O-N 3.09Å |
| 217 | K | 87.9 | Confident | 93.7 | Very high | 125 Ų | 125 | 54.5 Ų | 54.5 | 54% | 0.543 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -47 | 121.3 | -176 | 177.9 | -178.5 | 173.5 | 173.5 | 0 | 110.8 | T239 | K217-T239 WeakPolarHBondContact CE-O 3.34Å; K217-T239 PolarHBondContact NZ-O 2.84Å |
| 218 | P | 93.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.6 | 179.3 | -23.1 | 31.3 | 0 | 0 | 0 | 112.9 | P186 F212 P216 V220 L262 K263 V264 | P186-P218 HydrophobicContact CB-CB 4.41Å; P186-P218 HydrophobicContact CB-CG 4.19Å; F212-P218 HydrophobicContact CD2-CG 3.92Å; F212-P218 HydrophobicContact CE2-CB 4.39Å; F212-P218 HydrophobicContact CE2-CG 3.96Å; P216-P218 WeakPolarHBondContact O-CD 3.12Å; P216-P218 VanDerWaalsContact O-N 3.09Å; P218-V220 PolarHBondContact O-N 2.84Å; P218-L262 HydrophobicContact CB-CB 4.15Å; P218-L262 HydrophobicContact CB-CD2 4.15Å; P218-K263 WeakPolarHBondContact CA-O 3.46Å; P218-V264 HydrophobicContact CB-CG2 3.62Å; P218-V264 HydrophobicContact CG-CG2 3.57Å |
| 219 | E | 94.9 | Very high | 93.4 | Very high | 137 Ų | 137 | 55.9 Ų | 55.9 | 64% | 0.64 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 123.7 | 163.3 | -171.8 | -176 | 175.7 | 0 | 0 | 108.4 | L262 K263 | E219-L262 WeakPolarHBondContact O-CA 3.33Å; E219-K263 HydrophobicContact CB-CB 4.46Å; E219-K263 PolarHBondContact N-O 3.1Å; E219-K263 PolarHBondContact O-N 2.86Å |
| 220 | V | 96.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | F212 P218 M260 L262 | F212-V220 HydrophobicContact CD1-CG2 4.48Å; F212-V220 HydrophobicContact CE1-CG2 3.64Å; F212-V220 HydrophobicContact CZ-CG2 3.8Å; P218-V220 PolarHBondContact O-N 2.84Å; V220-M260 HydrophobicContact CG1-CG 4.08Å; V220-M260 HydrophobicContact CG1-SD 4.23Å; V220-L262 HydrophobicContact CB-CD2 4.21Å; V220-L262 HydrophobicContact CG1-CD2 4.11Å; V220-L262 HydrophobicContact CG2-CD2 3.7Å |
| 221 | S | 95.9 | Very high | 93.1 | Very high | 45 Ų | 45 | 63 Ų | 63 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.9 | 172.5 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | M260 C261 | S221-M260 WeakPolarHBondContact O-CA 3.35Å; S221-C261 PolarHBondContact N-O 2.69Å; S221-C261 PolarHBondContact O-N 2.7Å; S221-C261 WeakPolarHBondContact OG-CB 3.49Å; S221-C261 PolarHBondContact OG-O 3.46Å |
| 222 | W | 97.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 70.1 Ų | 70.1 | 5% | 0.049 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.7 | 179.9 | -75.5 | 83.8 | 0 | 0 | 0 | 110.4 | I210 L229 I236 S243 L245 E259 M260 L273 | I210-W222 HydrophobicContact CD1-CH2 3.47Å; I210-W222 VanDerWaalsContact CD1-CH2 3.47Å; I210-W222 HydrophobicContact CD1-CZ2 4.07Å; I210-W222 HydrophobicContact CD1-CZ3 4.41Å; I210-W222 HydrophobicContact CG1-CH2 4.25Å; W222-L229 HydrophobicContact CB-CD1 3.92Å; W222-L229 HydrophobicContact CB-CG 4.23Å; W222-I236 HydrophobicContact CB-CD1 3.61Å; W222-I236 HydrophobicContact CG-CD1 3.82Å; W222-I236 HydrophobicContact CG-CG1 4.41Å; W222-S243 PolarHBondContact NE1-OG 2.79Å; W222-L245 HydrophobicContact CD2-CD1 4.28Å; W222-L245 HydrophobicContact CE3-CD1 3.74Å; W222-L245 HydrophobicContact CH2-CB 4.15Å; W222-L245 HydrophobicContact CH2-CD1 4.23Å; W222-L245 HydrophobicContact CZ2-CB 4.28Å; W222-L245 HydrophobicContact CZ3-CB 4.47Å; W222-L245 HydrophobicContact CZ3-CD1 3.71Å; W222-E259 CarbonylContact C-O 3.48Å; W222-E259 VanDerWaalsContact CA-O 3.29Å; W222-E259 WeakPolarHBondContact CA-O 3.36Å; W222-M260 HydrophobicContact CD2-CB 3.94Å; W222-M260 HydrophobicContact CD2-CG 4.03Å; W222-M260 HydrophobicContact CE3-CB 3.97Å; W222-M260 HydrophobicContact CH2-CB 4.02Å; W222-M260 HydrophobicContact CH2-CG 4.38Å; W222-M260 HydrophobicContact CH2-SD 4.11Å; W222-M260 HydrophobicContact CZ2-CB 3.93Å; W222-M260 HydrophobicContact CZ2-CG 3.78Å; W222-M260 HydrophobicContact CZ2-SD 3.34Å; W222-M260 WeakPolarHBondContact CZ2-SD 3.34Å; W222-M260 HydrophobicContact CZ3-CB 4.01Å; W222-L273 HydrophobicContact CH2-CD2 3.85Å; W222-L273 HydrophobicContact CZ3-CD2 3.59Å |
| 223 | T | 97.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 73 Ų | 73 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159 | 174.8 | 71.7 | 0 | 0 | 0 | 0 | 111.1 | A227 Y258 E259 | T223-A227 CarbonylContact C-O 3.45Å; T223-A227 WeakPolarHBondContact CA-O 3.29Å; T223-A227 VanDerWaalsContact CB-O 3.25Å; T223-A227 WeakPolarHBondContact CB-O 3.27Å; T223-Y258 CarbonylContact O-C 3.06Å; T223-Y258 VanDerWaalsContact O-CA 3.28Å; T223-Y258 WeakPolarHBondContact O-CA 3.21Å; T223-E259 PolarHBondContact N-O 3.48Å; T223-E259 PolarHBondContact O-N 2.82Å |
| 224 | K | 96.5 | Very high | 92.9 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 16% | 0.157 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 124.5 | 169.3 | 177 | -179.9 | -176.6 | 171.6 | 0 | 107.6 | G226 A227 L229 D253 D254 S255 Y258 | K224-G226 PolarHBondContact O-N 2.92Å; K224-A227 PolarHBondContact N-O 2.7Å; K224-A227 PolarHBondContact O-N 2.52Å; K224-L229 HydrophobicContact CB-CD2 3.34Å; K224-D253 PolarHBondContact NZ-O 2.93Å; K224-D254 VanDerWaalsContact NZ-CA 3.26Å; K224-D254 PolarHBondContact NZ-O 3.42Å; K224-S255 WeakPolarHBondContact CE-O 3.18Å; K224-S255 PolarHBondContact NZ-O 3.15Å; K224-Y258 HydrophobicContact CB-CD1 4.19Å; K224-Y258 HydrophobicContact CB-CE1 4.24Å; K224-Y258 HydrophobicContact CD-CE1 4.03Å; K224-Y258 HydrophobicContact CD-CE2 4.05Å; K224-Y258 PolarHBondContact NZ-OH 3.32Å |
| 225 | K | 90.1 | Very high | 93.2 | Very high | 186 Ų | 186 | 73.4 Ų | 73.4 | 81% | 0.809 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.4 | -173.2 | -56.5 | 175.2 | 179.2 | 177.4 | 0 | 112.5 | A227 | K225-A227 PolarHBondContact O-N 2.71Š|
| 226 | G | 89.4 | Confident | 93.8 | Very high | 70 Ų | 70 | 71.7 Ų | 71.7 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -2.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K224 | K224-G226 PolarHBondContact O-N 2.92Š|
| 227 | A | 93.6 | Very high | 94.3 | Very high | 56 Ų | 56 | 77.4 Ų | 77.4 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 151.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T223 K224 K225 | T223-A227 CarbonylContact C-O 3.45Å; T223-A227 WeakPolarHBondContact CA-O 3.29Å; T223-A227 VanDerWaalsContact CB-O 3.25Å; T223-A227 WeakPolarHBondContact CB-O 3.27Å; K224-A227 PolarHBondContact N-O 2.7Å; K224-A227 PolarHBondContact O-N 2.52Å; K225-A227 PolarHBondContact O-N 2.71Å |
| 228 | A | 93.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 73.7 Ų | 73.7 | 74% | 0.744 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 144.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 229 | L | 95.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 76.4 Ų | 76.4 | 13% | 0.131 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 144.2 | 178.4 | -54.2 | -168.2 | 0 | 0 | 0 | 111.1 | W222 K224 P231 V234 I236 L245 Y258 | W222-L229 HydrophobicContact CB-CD1 3.92Å; W222-L229 HydrophobicContact CB-CG 4.23Å; K224-L229 HydrophobicContact CB-CD2 3.34Å; L229-P231 WeakPolarHBondContact O-CD 3.4Å; L229-V234 HydrophobicContact CB-CB 4.38Å; L229-V234 HydrophobicContact CD1-CB 4.17Å; L229-V234 HydrophobicContact CD1-CG1 3.8Å; L229-V234 HydrophobicContact CD1-CG2 4.4Å; L229-I236 HydrophobicContact CD1-CD1 3.9Å; L229-I236 HydrophobicContact CD1-CG1 4.46Å; L229-L245 HydrophobicContact CD1-CD1 3.94Å; L229-Y258 HydrophobicContact CD1-CD1 3.88Å; L229-Y258 HydrophobicContact CD1-CE1 3.92Å; L229-Y258 HydrophobicContact CD2-CD1 3.84Å; L229-Y258 HydrophobicContact CD2-CE1 3.82Å |
| 230 | D | 94.1 | Very high | 94.1 | Very high | 89 Ų | 89 | 76.9 Ų | 76.9 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 116.1 | 171.9 | 177.7 | 2.8 | 0 | 0 | 0 | 110.2 | K232 R233 V234 | D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 WeakPolarHBondContact OD1-CB 3.26Å; D230-K232 PolarHBondContact OD1-N 2.78Å; D230-R233 HydrophobicContact CB-CB 4.11Å; D230-R233 PolarHBondContact O-N 2.84Å; D230-V234 PolarHBondContact O-N 2.88Å |
| 231 | P | 93.7 | Very high | 93.9 | Very high | 111 Ų | 111 | 84.4 Ų | 84.4 | 72% | 0.721 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.8 | -178.1 | 29.2 | -36.5 | 0 | 0 | 0 | 113.6 | L229 R233 | L229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-R233 VanDerWaalsContact C-N 3.34Å |
| 232 | K | 92.6 | Very high | 93.9 | Very high | 200 Ų | 200 | 84.2 Ų | 84.2 | 87% | 0.87 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -27.8 | 172.3 | -64.6 | -179.5 | -179.1 | 176.4 | 0 | 111.8 | D230 | D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 WeakPolarHBondContact OD1-CB 3.26Å; D230-K232 PolarHBondContact OD1-N 2.78Å |
| 233 | R | 94.3 | Very high | 93.9 | Very high | 64 Ų | 64 | 83.6 Ų | 83.6 | 24% | 0.242 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -45.1 | -177.9 | -175.6 | 69 | -158.7 | 151.7 | -3.2 | 112.5 | D230 P231 S249 E251 D254 | D230-R233 HydrophobicContact CB-CB 4.11Å; D230-R233 PolarHBondContact O-N 2.84Å; P231-R233 VanDerWaalsContact C-N 3.34Å; R233-S249 PolarHBondContact NH1-O 3.08Å; R233-S249 PolarHBondContact NH2-O 3.33Å; R233-E251 IonicContact CZ-OE1 3.98Å; R233-E251 VanDerWaalsContact CZ-OE1 3.28Å; R233-E251 IonicContact CZ-OE2 2.7Å; R233-E251 IonicContact NH1-OE1 3.67Å; R233-E251 PolarHBondContact NH1-OE1 3.06Å; R233-E251 IonicContact NH1-OE2 2.71Å; R233-E251 VanDerWaalsContact NH2-CB 3.33Å; R233-E251 VanDerWaalsContact NH2-CG 3.28Å; R233-E251 IonicContact NH2-OE1 3.87Å; R233-E251 PolarHBondContact NH2-OE1 2.87Å; R233-D254 IonicContact CZ-OD1 3.37Å; R233-D254 IonicContact CZ-OD2 2.69Å; R233-D254 IonicContact NE-OD1 3.93Å; R233-D254 PolarHBondContact NE-OD1 3.01Å; R233-D254 IonicContact NE-OD2 3.54Å; R233-D254 PolarHBondContact NE-OD2 3.02Å; R233-D254 IonicContact NH2-OD1 3.66Å; R233-D254 IonicContact NH2-OD2 2.84Å; R233-D254 PolarHBondContact NH2-OD2 2.95Å |
| 234 | V | 96.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 84 Ų | 84 | 6% | 0.055 | 44% | 0.441 | C | S | . | . | trans | -120.4 | 125.2 | -173.6 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | L229 D230 I236 L245 I247 | L229-V234 HydrophobicContact CB-CB 4.38Å; L229-V234 HydrophobicContact CD1-CB 4.17Å; L229-V234 HydrophobicContact CD1-CG1 3.8Å; L229-V234 HydrophobicContact CD1-CG2 4.4Å; D230-V234 PolarHBondContact O-N 2.88Å; V234-I236 HydrophobicContact CG1-CG1 4.43Å; V234-L245 HydrophobicContact CG1-CD1 4.04Å; V234-L245 HydrophobicContact CG1-CD2 3.76Å; V234-L245 HydrophobicContact CG1-CG 3.54Å; V234-I247 HydrophobicContact CG1-CG1 4.46Å; V234-I247 HydrophobicContact CG2-CG1 4.32Å | ||
| 235 | N | 96.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 82.2 Ų | 82.2 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.6 | 174.2 | -166.8 | -49.2 | 0 | 0 | 0 | 109.3 | F246 | N235-F246 HydrophobicContact CB-CB 4.39Å; N235-F246 HydrophobicContact CB-CD1 4.38Å; N235-F246 PolarHBondContact N-O 2.69Å; N235-F246 PolarHBondContact O-N 2.96Å |
| 236 | I | 96.4 | Very high | 94.2 | Very high | 64 Ų | 64 | 76.3 Ų | 76.3 | 33% | 0.328 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.5 | 174.4 | -62.4 | 161.4 | 0 | 0 | 0 | 108.7 | W222 L229 V234 I244 | W222-I236 HydrophobicContact CB-CD1 3.61Å; W222-I236 HydrophobicContact CG-CD1 3.82Å; W222-I236 HydrophobicContact CG-CG1 4.41Å; L229-I236 HydrophobicContact CD1-CD1 3.9Å; L229-I236 HydrophobicContact CD1-CG1 4.46Å; V234-I236 HydrophobicContact CG1-CG1 4.43Å; I236-I244 WeakPolarHBondContact CA-O 3.32Å |
| 237 | R | 94.5 | Very high | 94.6 | Very high | 167 Ų | 167 | 73 Ų | 73 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.6 | 171.1 | -61.9 | -177.2 | -179.7 | -170.5 | -3.2 | 109.3 | I244 | R237-I244 HydrophobicContact CB-CB 4.42Å; R237-I244 PolarHBondContact N-O 3.41Å; R237-I244 PolarHBondContact O-N 3.22Å |
| 238 | S | 92.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 79.9 Ų | 79.9 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.3 | 178.7 | -54 | 0 | 0 | 0 | 0 | 110.1 | D242 S243 | S238-D242 WeakPolarHBondContact CA-O 3.34Å; S238-S243 PolarHBondContact OG-OG 3.34Å |
| 239 | T | 92.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 78.1 Ų | 78.1 | 37% | 0.368 | 37% | 0.369 | S | S | . | . | trans | -90.6 | -164.3 | 171.2 | 74.1 | 0 | 0 | 0 | 0 | 109.7 | K217 R241 D242 | K217-T239 WeakPolarHBondContact CE-O 3.34Å; K217-T239 PolarHBondContact NZ-O 2.84Å; T239-R241 VanDerWaalsContact C-N 3.31Å; T239-R241 PolarHBondContact OG1-N 3.08Å; T239-D242 WeakPolarHBondContact CB-OD1 3.5Å; T239-D242 WeakPolarHBondContact CG2-OD1 3.43Å; T239-D242 PolarHBondContact N-O 2.95Å; T239-D242 PolarHBondContact OG1-N 2.99Å; T239-D242 VanDerWaalsContact OG1-N 3.08Å; T239-D242 PolarHBondContact OG1-O 2.89Å; T239-D242 PolarHBondContact OG1-OD1 2.84Å | ||
| 240 | E | 87.7 | Confident | 94.9 | Very high | 148 Ų | 148 | 76.9 Ų | 76.9 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -75.9 | -18.5 | 171.8 | -63.7 | -173.8 | 166.3 | 0 | 0 | 113.4 | F212 | F212-E240 WeakPolarHBondContact CE2-O 3.4Š|
| 241 | R | 92.3 | Very high | 95.1 | Very high | 188 Ų | 188 | 77 Ų | 77 | 71% | 0.709 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -129.9 | -8.3 | -170 | -60.5 | -176.1 | -174.2 | 178.8 | 1.2 | 114.1 | P211 F212 T239 | P211-R241 CarbonylContact C-O 3.59Å; P211-R241 VanDerWaalsContact CA-O 3.28Å; P211-R241 WeakPolarHBondContact CA-O 3.48Å; F212-R241 PolarHBondContact N-O 3.12Å; F212-R241 VanDerWaalsContact O-O 3.07Å; T239-R241 VanDerWaalsContact C-N 3.31Å; T239-R241 PolarHBondContact OG1-N 3.08Å |
| 242 | D | 96.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 76 Ų | 76 | 22% | 0.219 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.4 | -179.8 | 55.7 | 40.9 | 0 | 0 | 0 | 112.4 | T209 I210 F212 S238 T239 | T209-D242 HydrophobicContact CG2-CB 3.99Å; I210-D242 WeakPolarHBondContact O-CA 3.11Å; F212-D242 WeakPolarHBondContact CE1-O 3.36Å; S238-D242 WeakPolarHBondContact CA-O 3.34Å; T239-D242 WeakPolarHBondContact CB-OD1 3.5Å; T239-D242 WeakPolarHBondContact CG2-OD1 3.43Å; T239-D242 PolarHBondContact N-O 2.95Å; T239-D242 PolarHBondContact OG1-N 2.99Å; T239-D242 VanDerWaalsContact OG1-N 3.08Å; T239-D242 PolarHBondContact OG1-O 2.89Å; T239-D242 PolarHBondContact OG1-OD1 2.84Å |
| 243 | S | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.8 | 167.5 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | I210 W222 S238 | I210-S243 PolarHBondContact N-O 2.88Å; I210-S243 PolarHBondContact O-N 3.07Å; W222-S243 PolarHBondContact NE1-OG 2.79Å; S238-S243 PolarHBondContact OG-OG 3.34Å |
| 244 | I | 96.8 | Very high | 95.3 | Very high | 39 Ų | 39 | 70.3 Ų | 70.3 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120 | -177 | -57.1 | 169.1 | 0 | 0 | 0 | 108.4 | N207 L208 T209 I236 R237 | N207-I244 WeakPolarHBondContact OD1-CG2 3.33Å; L208-I244 CarbonylContact O-C 3.34Å; L208-I244 WeakPolarHBondContact O-CA 3.19Å; T209-I244 HydrophobicContact CG2-CG1 4.01Å; I236-I244 WeakPolarHBondContact CA-O 3.32Å; R237-I244 HydrophobicContact CB-CB 4.42Å; R237-I244 PolarHBondContact N-O 3.41Å; R237-I244 PolarHBondContact O-N 3.22Å |
| 245 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120 | 168.8 | -174.6 | 156.8 | 0 | 0 | 0 | 108.8 | L208 W222 L229 V234 I247 Y258 | L208-L245 HydrophobicContact CB-CB 4.34Å; L208-L245 HydrophobicContact CD1-CD2 4.36Å; L208-L245 PolarHBondContact N-O 3.43Å; L208-L245 PolarHBondContact O-N 2.83Å; W222-L245 HydrophobicContact CD2-CD1 4.28Å; W222-L245 HydrophobicContact CE3-CD1 3.74Å; W222-L245 HydrophobicContact CH2-CB 4.15Å; W222-L245 HydrophobicContact CH2-CD1 4.23Å; W222-L245 HydrophobicContact CZ2-CB 4.28Å; W222-L245 HydrophobicContact CZ3-CB 4.47Å; W222-L245 HydrophobicContact CZ3-CD1 3.71Å; L229-L245 HydrophobicContact CD1-CD1 3.94Å; V234-L245 HydrophobicContact CG1-CD1 4.04Å; V234-L245 HydrophobicContact CG1-CD2 3.76Å; V234-L245 HydrophobicContact CG1-CG 3.54Å; L245-I247 HydrophobicContact CD2-CD1 4.16Å; L245-I247 HydrophobicContact CD2-CG1 3.93Å; L245-Y258 HydrophobicContact CD1-CD1 3.57Å; L245-Y258 HydrophobicContact CD1-CE1 3.88Å; L245-Y258 HydrophobicContact CD1-CG 4.28Å |
| 246 | F | 97.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 27% | 0.272 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.3 | -177.1 | -178.6 | -101.2 | 0 | 0 | 0 | 112.4 | K205 V206 N207 N235 R248 | K205-F246 HydrophobicContact CB-CE2 4.44Å; V206-F246 CarbonylContact O-C 3.58Å; V206-F246 VanDerWaalsContact O-CA 3.32Å; V206-F246 WeakPolarHBondContact O-CA 3.42Å; V206-F246 WeakPolarHBondContact O-CD2 3.41Å; N207-F246 HydrophobicContact CB-CD2 4.09Å; N235-F246 HydrophobicContact CB-CB 4.39Å; N235-F246 HydrophobicContact CB-CD1 4.38Å; N235-F246 PolarHBondContact N-O 2.69Å; N235-F246 PolarHBondContact O-N 2.96Å; F246-R248 HydrophobicContact CE1-CB 3.97Å; F246-R248 HydrophobicContact CZ-CB 4.43Å |
| 247 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.1 | 171.1 | -51.6 | 175.1 | 0 | 0 | 0 | 107.5 | K205 V206 V234 L245 D254 L275 | K205-I247 WeakPolarHBondContact CA-O 3.42Å; V206-I247 HydrophobicContact CB-CB 4.05Å; V206-I247 HydrophobicContact CB-CD1 4.37Å; V206-I247 HydrophobicContact CB-CG1 4.35Å; V206-I247 PolarHBondContact N-O 2.91Å; V206-I247 PolarHBondContact O-N 3.32Å; V234-I247 HydrophobicContact CG1-CG1 4.46Å; V234-I247 HydrophobicContact CG2-CG1 4.32Å; L245-I247 HydrophobicContact CD2-CD1 4.16Å; L245-I247 HydrophobicContact CD2-CG1 3.93Å; I247-D254 HydrophobicContact CD1-CB 3.94Å; I247-L275 HydrophobicContact CD1-CD2 3.88Å |
| 248 | R | 95.8 | Very high | 95.5 | Very high | 200 Ų | 200 | 61 Ų | 61 | 76% | 0.755 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -69 | -35.2 | -173.5 | 176.9 | 178.4 | -102.1 | 164.6 | -6.8 | 113.4 | K205 F246 | K205-R248 WeakPolarHBondContact CG-O 3.48Å; F246-R248 HydrophobicContact CE1-CB 3.97Å; F246-R248 HydrophobicContact CZ-CB 4.43Å |
| 249 | S | 96.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -154 | 101.9 | -177 | 174.2 | 0 | 0 | 0 | 0 | 107.3 | R233 | R233-S249 PolarHBondContact NH1-O 3.08Å; R233-S249 PolarHBondContact NH2-O 3.33Å |
| 250 | A | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -63.5 | 144.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V202 G203 E204 V206 D254 I277 | V202-A250 WeakPolarHBondContact CA-O 3.39Å; V202-A250 WeakPolarHBondContact CG1-O 3.39Å; G203-A250 PolarHBondContact N-O 2.89Å; E204-A250 WeakPolarHBondContact O-CB 3.11Å; E204-A250 PolarHBondContact O-N 3.3Å; V206-A250 HydrophobicContact CG2-CB 4.01Å; A250-D254 WeakPolarHBondContact CA-OD2 2.81Å; A250-I277 HydrophobicContact CB-CD1 3.77Å; A250-I277 HydrophobicContact CB-CG1 4.1Å; A250-I277 HydrophobicContact CB-CG2 3.85Å | ||
| 251 | E | 96.3 | Very high | 96.5 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | trans | -128.8 | 157.3 | 176.3 | -73.1 | 165.2 | -140.7 | 0 | 0 | 108.9 | R233 D253 D254 I277 | R233-E251 IonicContact CZ-OE1 3.98Å; R233-E251 VanDerWaalsContact CZ-OE1 3.28Å; R233-E251 IonicContact CZ-OE2 2.7Å; R233-E251 IonicContact NH1-OE1 3.67Å; R233-E251 PolarHBondContact NH1-OE1 3.06Å; R233-E251 IonicContact NH1-OE2 2.71Å; R233-E251 VanDerWaalsContact NH2-CB 3.33Å; R233-E251 VanDerWaalsContact NH2-CG 3.28Å; R233-E251 IonicContact NH2-OE1 3.87Å; R233-E251 PolarHBondContact NH2-OE1 2.87Å; E251-D253 PolarHBondContact O-N 2.81Å; E251-D253 VanDerWaalsContact O-N 3.13Å; E251-D254 PolarHBondContact N-OD2 3.43Å; E251-D254 VanDerWaalsContact O-CB 3.3Å; E251-D254 WeakPolarHBondContact O-CB 3.34Å; E251-D254 PolarHBondContact O-N 2.84Å; E251-I277 WeakPolarHBondContact O-CG1 3.5Å | ||
| 252 | R | 94.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -54.1 | -38.2 | -177.4 | -169.4 | 177.2 | -175.3 | 160 | 5.7 | 112.7 | D254 S255 D306 N309 | R252-D254 PolarHBondContact O-N 3.02Å; R252-S255 WeakPolarHBondContact O-CB 3.46Å; R252-S255 PolarHBondContact O-N 2.76Å; R252-S255 PolarHBondContact O-OG 3.26Å; R252-D306 IonicContact CZ-OD1 3.79Å; R252-D306 VanDerWaalsContact CZ-OD1 3.3Å; R252-D306 IonicContact CZ-OD2 3.28Å; R252-D306 IonicContact NH1-OD1 2.71Å; R252-D306 PolarHBondContact NH1-OD1 2.84Å; R252-D306 IonicContact NH1-OD2 2.84Å; R252-D306 PolarHBondContact NH1-OD2 2.85Å; R252-D306 IonicContact NH2-OD1 2.88Å; R252-D306 PolarHBondContact NH2-OD1 3.13Å; R252-N309 HydrophobicContact CG-CB 4.3Å |
| 253 | D | 95 | Very high | 96.6 | Very high | 140 Ų | 140 | 46.4 Ų | 46.4 | 75% | 0.749 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -66.8 | -17.4 | 179.5 | -76.9 | -3.9 | 0 | 0 | 0 | 113.7 | K224 E251 S255 | K224-D253 PolarHBondContact NZ-O 2.93Å; E251-D253 PolarHBondContact O-N 2.81Å; E251-D253 VanDerWaalsContact O-N 3.13Å; D253-S255 PolarHBondContact O-N 3.18Å |
| 254 | D | 96.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -69.7 | -16.8 | 171 | -60.9 | -40.1 | 0 | 0 | 0 | 112.3 | K224 R233 I247 A250 E251 R252 Y258 L275 I277 | K224-D254 VanDerWaalsContact NZ-CA 3.26Å; K224-D254 PolarHBondContact NZ-O 3.42Å; R233-D254 IonicContact CZ-OD1 3.37Å; R233-D254 IonicContact CZ-OD2 2.69Å; R233-D254 IonicContact NE-OD1 3.93Å; R233-D254 PolarHBondContact NE-OD1 3.01Å; R233-D254 IonicContact NE-OD2 3.54Å; R233-D254 PolarHBondContact NE-OD2 3.02Å; R233-D254 IonicContact NH2-OD1 3.66Å; R233-D254 IonicContact NH2-OD2 2.84Å; R233-D254 PolarHBondContact NH2-OD2 2.95Å; I247-D254 HydrophobicContact CD1-CB 3.94Å; A250-D254 WeakPolarHBondContact CA-OD2 2.81Å; E251-D254 PolarHBondContact N-OD2 3.43Å; E251-D254 VanDerWaalsContact O-CB 3.3Å; E251-D254 WeakPolarHBondContact O-CB 3.34Å; E251-D254 PolarHBondContact O-N 2.84Å; R252-D254 PolarHBondContact O-N 3.02Å; D254-Y258 VanDerWaalsContact O-CE2 3.27Å; D254-Y258 WeakPolarHBondContact O-CE2 3.43Å; D254-Y258 PolarHBondContact O-OH 2.9Å; D254-L275 HydrophobicContact CB-CD2 4.35Å; D254-I277 HydrophobicContact CB-CG1 3.9Å |
| 255 | S | 97.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 51 Ų | 51 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | trans | -58.9 | 144.6 | 175.3 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | K224 R252 D253 L275 I277 N309 | K224-S255 WeakPolarHBondContact CE-O 3.18Å; K224-S255 PolarHBondContact NZ-O 3.15Å; R252-S255 WeakPolarHBondContact O-CB 3.46Å; R252-S255 PolarHBondContact O-N 2.76Å; R252-S255 PolarHBondContact O-OG 3.26Å; D253-S255 PolarHBondContact O-N 3.18Å; S255-L275 CarbonylContact C-O 3.52Å; S255-L275 VanDerWaalsContact CA-O 3.3Å; S255-L275 WeakPolarHBondContact CA-O 3.5Å; S255-I277 PolarHBondContact OG-N 2.77Å; S255-N309 PolarHBondContact OG-ND2 2.87Å | ||
| 256 | G | 96 | Very high | 95.4 | Very high | 20 Ų | 20 | 55 Ų | 55 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -172.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L275 | G256-L275 PolarHBondContact N-O 2.84Å; G256-L275 PolarHBondContact O-N 3.26Å |
| 257 | V | 96.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 44% | 0.436 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.8 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | L273 | V257-L273 WeakPolarHBondContact CA-O 3.46Å |
| 258 | Y | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.8 | 170.8 | -65.4 | -109.8 | 0 | 0 | 0 | 108.4 | T223 K224 L229 L245 D254 S272 L273 L275 | T223-Y258 CarbonylContact O-C 3.06Å; T223-Y258 VanDerWaalsContact O-CA 3.28Å; T223-Y258 WeakPolarHBondContact O-CA 3.21Å; K224-Y258 HydrophobicContact CB-CD1 4.19Å; K224-Y258 HydrophobicContact CB-CE1 4.24Å; K224-Y258 HydrophobicContact CD-CE1 4.03Å; K224-Y258 HydrophobicContact CD-CE2 4.05Å; K224-Y258 PolarHBondContact NZ-OH 3.32Å; L229-Y258 HydrophobicContact CD1-CD1 3.88Å; L229-Y258 HydrophobicContact CD1-CE1 3.92Å; L229-Y258 HydrophobicContact CD2-CD1 3.84Å; L229-Y258 HydrophobicContact CD2-CE1 3.82Å; L245-Y258 HydrophobicContact CD1-CD1 3.57Å; L245-Y258 HydrophobicContact CD1-CE1 3.88Å; L245-Y258 HydrophobicContact CD1-CG 4.28Å; D254-Y258 VanDerWaalsContact O-CE2 3.27Å; D254-Y258 WeakPolarHBondContact O-CE2 3.43Å; D254-Y258 PolarHBondContact O-OH 2.9Å; Y258-S272 CarbonylContact O-C 3.58Å; Y258-S272 WeakPolarHBondContact O-CA 3.31Å; Y258-L273 PolarHBondContact N-O 2.95Å; Y258-L273 PolarHBondContact O-N 3.34Å; Y258-L275 HydrophobicContact CD2-CB 4.05Å; Y258-L275 HydrophobicContact CE2-CB 3.84Å; Y258-L275 HydrophobicContact CE2-CD2 3.78Å; Y258-L275 HydrophobicContact CE2-CG 4.41Å |
| 259 | E | 97.5 | Very high | 95.1 | Very high | 71 Ų | 71 | 52 Ų | 52 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.6 | 176.2 | -172.8 | 179.6 | 88.8 | 0 | 0 | 108.9 | W222 T223 V271 | W222-E259 CarbonylContact C-O 3.48Å; W222-E259 VanDerWaalsContact CA-O 3.29Å; W222-E259 WeakPolarHBondContact CA-O 3.36Å; T223-E259 PolarHBondContact N-O 3.48Å; T223-E259 PolarHBondContact O-N 2.82Å; E259-V271 WeakPolarHBondContact CA-O 3.36Å |
| 260 | M | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.9 | 170.5 | -173.1 | -179.9 | 75.9 | 0 | 0 | 108.7 | I188 I210 V220 S221 W222 K270 V271 | I188-M260 HydrophobicContact CB-CE 4.12Å; I188-M260 HydrophobicContact CD1-CE 3.65Å; I188-M260 HydrophobicContact CG1-CE 3.63Å; I188-M260 HydrophobicContact CG2-CE 3.38Å; I210-M260 HydrophobicContact CB-CE 3.97Å; I210-M260 HydrophobicContact CB-SD 4.13Å; I210-M260 HydrophobicContact CD1-CE 4.46Å; I210-M260 HydrophobicContact CD1-SD 4.36Å; I210-M260 HydrophobicContact CG2-CE 3.49Å; I210-M260 VanDerWaalsContact CG2-CE 3.49Å; I210-M260 HydrophobicContact CG2-SD 4.31Å; V220-M260 HydrophobicContact CG1-CG 4.08Å; V220-M260 HydrophobicContact CG1-SD 4.23Å; S221-M260 WeakPolarHBondContact O-CA 3.35Å; W222-M260 HydrophobicContact CD2-CB 3.94Å; W222-M260 HydrophobicContact CD2-CG 4.03Å; W222-M260 HydrophobicContact CE3-CB 3.97Å; W222-M260 HydrophobicContact CH2-CB 4.02Å; W222-M260 HydrophobicContact CH2-CG 4.38Å; W222-M260 HydrophobicContact CH2-SD 4.11Å; W222-M260 HydrophobicContact CZ2-CB 3.93Å; W222-M260 HydrophobicContact CZ2-CG 3.78Å; W222-M260 HydrophobicContact CZ2-SD 3.34Å; W222-M260 WeakPolarHBondContact CZ2-SD 3.34Å; W222-M260 HydrophobicContact CZ3-CB 4.01Å; M260-K270 WeakPolarHBondContact O-CA 3.48Å; M260-V271 HydrophobicContact CB-CG1 4.22Å; M260-V271 HydrophobicContact CE-CG1 4.38Å; M260-V271 PolarHBondContact N-O 3.29Å; M260-V271 PolarHBondContact O-N 3.31Å |
| 261 | C | 97.1 | Very high | 95 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | S221 E268 D269 K270 | S221-C261 PolarHBondContact N-O 2.69Å; S221-C261 PolarHBondContact O-N 2.7Å; S221-C261 WeakPolarHBondContact OG-CB 3.49Å; S221-C261 PolarHBondContact OG-O 3.46Å; C261-E268 VanDerWaalsContact SG-CG 3.56Å; C261-E268 PolarHBondContact SG-OE1 3.3Å; C261-D269 WeakPolarHBondContact CA-O 3.41Å; C261-K270 HydrophobicContact CB-CD 4.46Å; C261-K270 HydrophobicContact CB-CG 3.88Å; C261-K270 WeakPolarHBondContact SG-CE 3.24Å |
| 262 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.4 | 171.8 | -60 | -177.2 | 0 | 0 | 0 | 110.1 | P186 I188 F212 P218 E219 V220 E268 D269 | P186-L262 HydrophobicContact CB-CB 3.74Å; P186-L262 HydrophobicContact CB-CD1 4.02Å; P186-L262 HydrophobicContact CG-CB 4.23Å; I188-L262 HydrophobicContact CD1-CD1 4.28Å; I188-L262 HydrophobicContact CD1-CG 4.02Å; I188-L262 HydrophobicContact CG1-CD1 3.38Å; I188-L262 HydrophobicContact CG1-CG 3.66Å; F212-L262 HydrophobicContact CB-CD1 3.36Å; F212-L262 HydrophobicContact CB-CD2 4.47Å; F212-L262 HydrophobicContact CD1-CD1 4.39Å; F212-L262 HydrophobicContact CD1-CD2 3.99Å; F212-L262 HydrophobicContact CD2-CD1 4.27Å; F212-L262 HydrophobicContact CE1-CD2 4.35Å; F212-L262 HydrophobicContact CG-CD1 3.79Å; F212-L262 HydrophobicContact CG-CD2 4.11Å; P218-L262 HydrophobicContact CB-CB 4.15Å; P218-L262 HydrophobicContact CB-CD2 4.15Å; E219-L262 WeakPolarHBondContact O-CA 3.33Å; V220-L262 HydrophobicContact CB-CD2 4.21Å; V220-L262 HydrophobicContact CG1-CD2 4.11Å; V220-L262 HydrophobicContact CG2-CD2 3.7Å; L262-E268 VanDerWaalsContact O-CA 3.3Å; L262-E268 WeakPolarHBondContact O-CA 3.32Å; L262-D269 PolarHBondContact N-O 2.81Å; L262-D269 PolarHBondContact O-N 3.1Å |
| 263 | K | 95.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 50.5 Ų | 50.5 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.6 | 173.9 | -65.6 | -178.9 | 179.6 | 179.6 | 0 | 111.3 | P218 E219 F267 E268 | P218-K263 WeakPolarHBondContact CA-O 3.46Å; E219-K263 HydrophobicContact CB-CB 4.46Å; E219-K263 PolarHBondContact N-O 3.1Å; E219-K263 PolarHBondContact O-N 2.86Å; K263-F267 WeakPolarHBondContact CA-O 3.49Å; K263-E268 WeakPolarHBondContact CE-OE1 3.43Å; K263-E268 HydrophobicContact CG-CG 4.22Å; K263-E268 IonicContact NZ-OE1 2.84Å |
| 264 | V | 92.5 | Very high | 95.2 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 112.8 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | A183 P186 K215 P218 G266 F267 | A183-V264 HydrophobicContact CB-CG1 4.16Å; P186-V264 HydrophobicContact CB-CG2 3.81Å; P186-V264 HydrophobicContact CG-CB 4.22Å; P186-V264 HydrophobicContact CG-CG2 3.93Å; K215-V264 VanDerWaalsContact O-CG1 3.3Å; K215-V264 WeakPolarHBondContact O-CG1 3.4Å; P218-V264 HydrophobicContact CB-CG2 3.62Å; P218-V264 HydrophobicContact CG-CG2 3.57Å; V264-G266 VanDerWaalsContact C-N 3.25Å; V264-G266 PolarHBondContact O-N 2.83Å; V264-F267 PolarHBondContact N-O 3.41Å; V264-F267 WeakPolarHBondContact O-CA 3.03Å; V264-F267 WeakPolarHBondContact O-CB 3.47Å; V264-F267 WeakPolarHBondContact O-CD2 3.4Å; V264-F267 PolarHBondContact O-N 3.45Å |
| 265 | E | 87.1 | Confident | 95.2 | Very high | 127 Ų | 127 | 46.5 Ų | 46.5 | 59% | 0.593 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.2 | 46.9 | 169.9 | -56.6 | -162.7 | 160.8 | 0 | 0 | 115.6 | A183 | A183-E265 HydrophobicContact CB-CB 4.03Å; A183-E265 HydrophobicContact CB-CG 4.48Å |
| 266 | G | 85.4 | Confident | 95.2 | Very high | 86 Ų | 86 | 46.3 Ų | 46.3 | 89% | 0.887 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -12.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V264 | V264-G266 VanDerWaalsContact C-N 3.25Å; V264-G266 PolarHBondContact O-N 2.83Å |
| 267 | F | 90.6 | Very high | 95.3 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 31% | 0.307 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 144.6 | 167.7 | -56.7 | -68.1 | 0 | 0 | 0 | 111.8 | A183 R185 P186 K263 V264 | A183-F267 HydrophobicContact CB-CD2 4.26Å; A183-F267 HydrophobicContact CB-CE2 3.93Å; R185-F267 HydrophobicContact CB-CD1 4.45Å; R185-F267 HydrophobicContact CB-CG 4.36Å; R185-F267 HydrophobicContact CG-CB 4.36Å; R185-F267 HydrophobicContact CG-CD1 4.41Å; R185-F267 HydrophobicContact CG-CG 4.43Å; P186-F267 HydrophobicContact CG-CB 4.14Å; K263-F267 WeakPolarHBondContact CA-O 3.49Å; V264-F267 PolarHBondContact N-O 3.41Å; V264-F267 WeakPolarHBondContact O-CA 3.03Å; V264-F267 WeakPolarHBondContact O-CB 3.47Å; V264-F267 WeakPolarHBondContact O-CD2 3.4Å; V264-F267 PolarHBondContact O-N 3.45Å |
| 268 | E | 95.8 | Very high | 95.3 | Very high | 78 Ų | 78 | 42 Ų | 42 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.2 | 177.2 | -166.8 | 177.6 | -136.1 | 0 | 0 | 110 | C261 L262 K263 K270 | C261-E268 VanDerWaalsContact SG-CG 3.56Å; C261-E268 PolarHBondContact SG-OE1 3.3Å; L262-E268 VanDerWaalsContact O-CA 3.3Å; L262-E268 WeakPolarHBondContact O-CA 3.32Å; K263-E268 WeakPolarHBondContact CE-OE1 3.43Å; K263-E268 HydrophobicContact CG-CG 4.22Å; K263-E268 IonicContact NZ-OE1 2.84Å; E268-K270 HydrophobicContact CG-CG 4.33Å; E268-K270 WeakPolarHBondContact OE1-CE 3.35Å; E268-K270 IonicContact OE1-NZ 2.92Å; E268-K270 PolarHBondContact OE1-NZ 2.88Å; E268-K270 WeakPolarHBondContact OE2-CE 3.34Å; E268-K270 IonicContact OE2-NZ 3.3Å; E268-K270 PolarHBondContact OE2-NZ 3.05Å |
| 269 | D | 97.2 | Very high | 95.2 | Very high | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.4 | 167.2 | -170.1 | 23.3 | 0 | 0 | 0 | 109.9 | P186 K187 I188 C261 L262 | P186-D269 HydrophobicContact CG-CB 4.41Å; P186-D269 WeakPolarHBondContact O-CB 3.32Å; K187-D269 WeakPolarHBondContact CA-OD2 3.36Å; I188-D269 HydrophobicContact CD1-CB 4.49Å; I188-D269 HydrophobicContact CG1-CB 4.42Å; I188-D269 PolarHBondContact N-OD2 2.8Å; C261-D269 WeakPolarHBondContact CA-O 3.41Å; L262-D269 PolarHBondContact N-O 2.81Å; L262-D269 PolarHBondContact O-N 3.1Å |
| 270 | K | 97.2 | Very high | 95.1 | Very high | 98 Ų | 98 | 44.6 Ų | 44.6 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.7 | -172.9 | -69.7 | -176.4 | 175.7 | 144.2 | 0 | 112 | M260 C261 E268 | M260-K270 WeakPolarHBondContact O-CA 3.48Å; C261-K270 HydrophobicContact CB-CD 4.46Å; C261-K270 HydrophobicContact CB-CG 3.88Å; C261-K270 WeakPolarHBondContact SG-CE 3.24Å; E268-K270 HydrophobicContact CG-CG 4.33Å; E268-K270 WeakPolarHBondContact OE1-CE 3.35Å; E268-K270 IonicContact OE1-NZ 2.92Å; E268-K270 PolarHBondContact OE1-NZ 2.88Å; E268-K270 WeakPolarHBondContact OE2-CE 3.34Å; E268-K270 IonicContact OE2-NZ 3.3Å; E268-K270 PolarHBondContact OE2-NZ 3.05Å |
| 271 | V | 96.2 | Very high | 95.2 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 147.6 | 170.1 | 79.5 | 0 | 0 | 0 | 0 | 111.1 | I188 M190 E259 M260 | I188-V271 HydrophobicContact CD1-CB 4.14Å; I188-V271 HydrophobicContact CD1-CG1 4.02Å; I188-V271 HydrophobicContact CG2-CB 4.18Å; I188-V271 HydrophobicContact CG2-CG1 3.72Å; M190-V271 HydrophobicContact CB-CG2 4.27Å; M190-V271 HydrophobicContact CE-CG1 4.39Å; M190-V271 HydrophobicContact CE-CG2 4.18Å; M190-V271 HydrophobicContact CG-CG2 4.04Å; M190-V271 HydrophobicContact SD-CG1 3.99Å; M190-V271 HydrophobicContact SD-CG2 4Å; E259-V271 WeakPolarHBondContact CA-O 3.36Å; M260-V271 HydrophobicContact CB-CG1 4.22Å; M260-V271 HydrophobicContact CE-CG1 4.38Å; M260-V271 PolarHBondContact N-O 3.29Å; M260-V271 PolarHBondContact O-N 3.31Å |
| 272 | S | 95.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.3 | 173.3 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | Y258 | Y258-S272 CarbonylContact O-C 3.58Å; Y258-S272 WeakPolarHBondContact O-CA 3.31Å |
| 273 | L | 95.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.1 | 172.8 | 89.4 | 89.8 | 0 | 0 | 0 | 109.5 | M190 L208 I210 W222 V257 Y258 L275 | M190-L273 HydrophobicContact CE-CB 3.47Å; M190-L273 VanDerWaalsContact CE-CB 3.47Å; L208-L273 HydrophobicContact CD1-CD1 3.67Å; L208-L273 HydrophobicContact CD1-CD2 3.8Å; L208-L273 HydrophobicContact CD1-CG 4.44Å; I210-L273 HydrophobicContact CD1-CD2 4.02Å; W222-L273 HydrophobicContact CH2-CD2 3.85Å; W222-L273 HydrophobicContact CZ3-CD2 3.59Å; V257-L273 WeakPolarHBondContact CA-O 3.46Å; Y258-L273 PolarHBondContact N-O 2.95Å; Y258-L273 PolarHBondContact O-N 3.34Å; L273-L275 HydrophobicContact CD1-CB 4.16Å |
| 274 | T | 97.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 36% | 0.362 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.8 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | R197 Y198 | R197-T274 CarbonylContact C-O 3.37Å; R197-T274 WeakPolarHBondContact CA-O 3.32Å; R197-T274 HydrophobicContact CB-CG2 4.32Å; R197-T274 HydrophobicContact CG-CG2 4.03Å; Y198-T274 PolarHBondContact N-O 2.85Å |
| 275 | L | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.8 | 172.9 | 179.8 | 59.6 | 0 | 0 | 0 | 109.2 | Y198 V206 I247 D254 S255 G256 Y258 L273 I277 | Y198-L275 HydrophobicContact CD1-CD1 3.55Å; Y198-L275 HydrophobicContact CE1-CD1 4.29Å; Y198-L275 HydrophobicContact CG-CD1 4.48Å; V206-L275 HydrophobicContact CG1-CD1 4.23Å; V206-L275 HydrophobicContact CG1-CD2 4.42Å; I247-L275 HydrophobicContact CD1-CD2 3.88Å; D254-L275 HydrophobicContact CB-CD2 4.35Å; S255-L275 CarbonylContact C-O 3.52Å; S255-L275 VanDerWaalsContact CA-O 3.3Å; S255-L275 WeakPolarHBondContact CA-O 3.5Å; G256-L275 PolarHBondContact N-O 2.84Å; G256-L275 PolarHBondContact O-N 3.26Å; Y258-L275 HydrophobicContact CD2-CB 4.05Å; Y258-L275 HydrophobicContact CE2-CB 3.84Å; Y258-L275 HydrophobicContact CE2-CD2 3.78Å; Y258-L275 HydrophobicContact CE2-CG 4.41Å; L273-L275 HydrophobicContact CD1-CB 4.16Å; L275-I277 HydrophobicContact CD1-CD1 3.69Å; L275-I277 HydrophobicContact CD2-CD1 4.08Å; L275-I277 HydrophobicContact CG-CD1 3.79Å; L275-I277 HydrophobicContact CG-CG1 4.38Å |
| 276 | Q | 97.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 113 | 174.7 | -172.3 | -172 | 24.9 | 0 | 0 | 109.4 | R197 Y198 V199 A200 V278 N309 | R197-Q276 HydrophobicContact CG-CB 3.83Å; R197-Q276 VanDerWaalsContact CZ-OE1 3.32Å; Y198-Q276 PolarHBondContact O-N 2.86Å; V199-Q276 WeakPolarHBondContact CA-O 3.19Å; A200-Q276 PolarHBondContact N-O 2.95Å; A200-Q276 VanDerWaalsContact N-O 3.1Å; Q276-V278 HydrophobicContact CG-CG1 3.8Å; Q276-N309 PolarHBondContact NE2-O 2.84Å |
| 277 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.1 | 174.5 | -51.1 | -50.5 | 0 | 0 | 0 | 108.8 | A200 V202 V206 A250 E251 D254 S255 L275 N309 | A200-I277 HydrophobicContact CB-CD1 3.9Å; A200-I277 CarbonylContact O-C 3.44Å; A200-I277 VanDerWaalsContact O-CA 3.25Å; A200-I277 WeakPolarHBondContact O-CA 3.47Å; V202-I277 HydrophobicContact CB-CG2 4.34Å; V202-I277 HydrophobicContact CG2-CG2 3.4Å; V202-I277 VanDerWaalsContact CG2-CG2 3.4Å; V206-I277 HydrophobicContact CG2-CD1 4.14Å; A250-I277 HydrophobicContact CB-CD1 3.77Å; A250-I277 HydrophobicContact CB-CG1 4.1Å; A250-I277 HydrophobicContact CB-CG2 3.85Å; E251-I277 WeakPolarHBondContact O-CG1 3.5Å; D254-I277 HydrophobicContact CB-CG1 3.9Å; S255-I277 PolarHBondContact OG-N 2.77Å; L275-I277 HydrophobicContact CD1-CD1 3.69Å; L275-I277 HydrophobicContact CD2-CD1 4.08Å; L275-I277 HydrophobicContact CG-CD1 3.79Å; L275-I277 HydrophobicContact CG-CG1 4.38Å; I277-N309 WeakPolarHBondContact O-CB 3.22Å; I277-N309 PolarHBondContact O-ND2 3.18Å |
| 278 | V | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 156.2 | -172.9 | -61.7 | 0 | 0 | 0 | 0 | 112 | V199 A200 Q201 V202 Q276 G308 T310 V360 | V199-V278 HydrophobicContact CG1-CG1 4.1Å; V199-V278 HydrophobicContact CG1-CG2 3.61Å; A200-V278 WeakPolarHBondContact O-CG2 3.47Å; A200-V278 PolarHBondContact O-N 2.88Å; Q201-V278 CarbonylContact C-O 3.51Å; Q201-V278 VanDerWaalsContact CA-O 3.23Å; Q201-V278 WeakPolarHBondContact CA-O 3.28Å; Q201-V278 HydrophobicContact CG-CG2 4.31Å; V202-V278 PolarHBondContact N-O 3.09Å; Q276-V278 HydrophobicContact CG-CG1 3.8Å; V278-G308 WeakPolarHBondContact CA-O 3.45Å; V278-T310 HydrophobicContact CB-CG2 4.39Å; V278-T310 HydrophobicContact CG1-CG2 4.39Å; V278-V360 HydrophobicContact CB-CG2 3.77Å; V278-V360 HydrophobicContact CG2-CG2 3.33Å |
| 279 | E | 96.1 | Very high | 96.7 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | trans | -135.3 | 171.7 | -179.3 | -67.8 | -178 | 143.2 | 0 | 0 | 109.8 | V202 G308 N358 | V202-E279 HydrophobicContact CB-CG 3.67Å; V202-E279 WeakPolarHBondContact CB-OE1 3.16Å; V202-E279 WeakPolarHBondContact CG1-OE1 3.28Å; V202-E279 HydrophobicContact CG2-CG 3.29Å; V202-E279 WeakPolarHBondContact CG2-OE1 3.44Å; E279-G308 PolarHBondContact N-O 2.78Å; E279-N358 PolarHBondContact O-ND2 2.92Å | ||
| 280 | L | 95.9 | Very high | 96.3 | Very high | 63 Ų | 63 | 40.1 Ų | 40.1 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 146.5 | 165.1 | -64.2 | 176.4 | 0 | 0 | 0 | 109.8 | V360 E364 | L280-V360 HydrophobicContact CD2-CB 4.15Å; L280-V360 HydrophobicContact CD2-CG1 3.75Å; L280-V360 HydrophobicContact CG-CG1 4.35Å; L280-E364 HydrophobicContact CD1-CG 3.72Å |
| 281 | P | 97.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -73 | 159.1 | 177.5 | 32.4 | -30.8 | 0 | 0 | 0 | 110.1 | I312 S356 N358 G361 S363 | P281-I312 HydrophobicContact CB-CD1 3.52Å; P281-I312 HydrophobicContact CG-CD1 4.26Å; P281-S356 VanDerWaalsContact CG-O 3.32Å; P281-S356 WeakPolarHBondContact CG-O 3.33Å; P281-N358 WeakPolarHBondContact CD-ND2 3.3Å; P281-N358 HydrophobicContact CG-CB 4.26Å; P281-G361 WeakPolarHBondContact CD-O 3.5Å; P281-S363 VanDerWaalsContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CB 3.5Å |
| 282 | G | 97.2 | Very high | 95 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 168.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P304 D306 S356 | G282-P304 VanDerWaalsContact O-CB 3.23Å; G282-P304 WeakPolarHBondContact O-CB 3.47Å; G282-D306 PolarHBondContact N-O 2.95Å; G282-S356 VanDerWaalsContact O-CB 3.26Å; G282-S356 WeakPolarHBondContact O-CB 3.27Å; G282-S356 PolarHBondContact O-OG 2.75Å |
| 283 | P | 97.6 | Very high | 94 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 156.8 | 171.6 | 30.1 | -35 | 0 | 0 | 0 | 110.4 | A285 P304 S365 A367 | P283-A285 PolarHBondContact O-N 2.84Å; P283-P304 WeakPolarHBondContact O-CA 3.26Å; P283-P304 VanDerWaalsContact O-CB 3.23Å; P283-P304 WeakPolarHBondContact O-CB 3.46Å; P283-S365 WeakPolarHBondContact CD-OG 3.38Å; P283-S365 WeakPolarHBondContact CG-OG 3.17Å; P283-A367 HydrophobicContact CB-CB 4.32Å |
| 284 | P | 97.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -49.1 | 142.1 | 170.5 | -25 | 34.1 | 0 | 0 | 0 | 111.3 | S286 V287 W301 T302 Y315 V354 S356 A367 | P284-S286 VanDerWaalsContact C-N 3.27Å; P284-S286 PolarHBondContact O-N 2.68Å; P284-V287 HydrophobicContact CB-CG2 4.16Å; P284-W301 HydrophobicContact CB-CB 4.32Å; P284-T302 CarbonylContact C-O 3.55Å; P284-T302 WeakPolarHBondContact CA-O 2.98Å; P284-T302 WeakPolarHBondContact CB-O 3.3Å; P284-Y315 HydrophobicContact CG-CD1 4.19Å; P284-Y315 HydrophobicContact CG-CE1 4.31Å; P284-V354 WeakPolarHBondContact CD-O 3.16Å; P284-V354 HydrophobicContact CG-CB 3.97Å; P284-V354 HydrophobicContact CG-CG1 3.74Å; P284-V354 WeakPolarHBondContact CG-O 3.22Å; P284-S356 VanDerWaalsContact CD-OG 3.22Å; P284-S356 WeakPolarHBondContact CD-OG 3.38Å; P284-S356 WeakPolarHBondContact CG-OG 3.42Å; P284-A367 HydrophobicContact CB-CB 4Å; P284-A367 HydrophobicContact CG-CB 4.27Å; P284-A367 WeakPolarHBondContact O-CB 3.42Å |
| 285 | A | 96.4 | Very high | 92.2 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.5 | -27.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | P283 T302 A303 K305 | P283-A285 PolarHBondContact O-N 2.84Å; A285-T302 WeakPolarHBondContact CB-OG1 3.21Å; A285-T302 PolarHBondContact N-O 3.37Å; A285-A303 WeakPolarHBondContact CB-O 3.47Å; A285-K305 HydrophobicContact CB-CG 4.15Å |
| 286 | S | 95.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 147.4 | 170.9 | 66.8 | 0 | 0 | 0 | 0 | 110.4 | P284 W301 T302 | P284-S286 VanDerWaalsContact C-N 3.27Å; P284-S286 PolarHBondContact O-N 2.68Å; S286-W301 CarbonylContact O-C 3.51Å; S286-W301 WeakPolarHBondContact O-CA 3.38Å; S286-W301 WeakPolarHBondContact O-CB 3.38Å; S286-T302 PolarHBondContact N-OG1 3.45Å; S286-T302 VanDerWaalsContact N-OG1 3.1Å; S286-T302 PolarHBondContact O-N 3.3Å; S286-T302 PolarHBondContact OG-OG1 3.49Å |
| 287 | V | 97.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.1 | 172.4 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | P284 W301 V354 A367 T369 | P284-V287 HydrophobicContact CB-CG2 4.16Å; V287-W301 HydrophobicContact CB-CB 4.33Å; V287-W301 HydrophobicContact CG2-CB 3.77Å; V287-V354 HydrophobicContact CG1-CG2 3.79Å; V287-V354 HydrophobicContact CG2-CB 3.8Å; V287-V354 HydrophobicContact CG2-CG2 3.84Å; V287-A367 HydrophobicContact CB-CB 4.38Å; V287-A367 HydrophobicContact CG2-CB 3.42Å; V287-A367 VanDerWaalsContact CG2-CB 3.42Å; V287-T369 HydrophobicContact CG1-CG2 3.71Å |
| 288 | K | 96.3 | Very high | 90 | Very high | 137 Ų | 137 | 48.2 Ų | 48.2 | 60% | 0.596 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 147.4 | -176.2 | -60.2 | 179.6 | -174 | 175 | 0 | 110.9 | L299 E300 | K288-L299 WeakPolarHBondContact O-CA 3.22Å; K288-E300 PolarHBondContact N-O 3.24Å; K288-E300 PolarHBondContact O-N 3.45Å |
| 289 | I | 94.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.8 | 164.5 | -65.3 | 156.1 | 0 | 0 | 0 | 106.3 | T292 V297 A298 L299 F352 T369 E371 A373 | I289-T292 HydrophobicContact CG2-CG2 3.72Å; I289-V297 HydrophobicContact CB-CG1 4.49Å; I289-V297 HydrophobicContact CG1-CG1 4.07Å; I289-V297 HydrophobicContact CG2-CG1 3.83Å; I289-A298 WeakPolarHBondContact CA-O 3.04Å; I289-L299 HydrophobicContact CB-CD2 4.44Å; I289-L299 HydrophobicContact CG1-CD2 3.64Å; I289-F352 HydrophobicContact CD1-CD2 4.38Å; I289-F352 HydrophobicContact CG1-CD2 4.37Å; I289-T369 HydrophobicContact CD1-CG2 4.29Å; I289-T369 HydrophobicContact CG1-CG2 4.01Å; I289-E371 HydrophobicContact CD1-CB 4.45Å; I289-E371 WeakPolarHBondContact CD1-O 3.32Å; I289-A373 HydrophobicContact CD1-CB 3.86Å |
| 290 | V | 89.8 | Confident | 89.8 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -45 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | A298 E300 | V290-A298 HydrophobicContact CB-CB 4.24Å; V290-A298 PolarHBondContact N-O 3.2Å; V290-E300 HydrophobicContact CG2-CB 3.48Å; V290-E300 VanDerWaalsContact CG2-CB 3.48Å |
| 291 | D | 82.4 | Confident | 89.9 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 159.2 | -178.3 | -164.9 | 14.4 | 0 | 0 | 0 | 111.2 | W293 A298 | D291-W293 HydrophobicContact CB-CE3 4.23Å; D291-W293 HydrophobicContact CB-CZ3 4.23Å; D291-A298 HydrophobicContact CB-CB 4.44Å; D291-A298 PolarHBondContact O-N 3.3Å |
| 292 | T | 82 | Confident | 89.9 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 121.7 | 176.5 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | I289 N296 V297 A373 | I289-T292 HydrophobicContact CG2-CG2 3.72Å; T292-N296 WeakPolarHBondContact CA-O 3.07Å; T292-V297 HydrophobicContact CG2-CG1 4.38Å; T292-V297 HydrophobicContact CG2-CG2 3.94Å; T292-A373 HydrophobicContact CG2-CB 4.03Å |
| 293 | W | 76.4 | Confident | 89.9 | Confident | 106 Ų | 106 | 51.1 Ų | 51.1 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 138.8 | 179.4 | 70.4 | 100.2 | 0 | 0 | 0 | 111.1 | D291 F295 N296 A298 T340 | D291-W293 HydrophobicContact CB-CE3 4.23Å; D291-W293 HydrophobicContact CB-CZ3 4.23Å; W293-F295 PolarHBondContact O-N 3.44Å; W293-N296 HydrophobicContact CD2-CB 3.95Å; W293-N296 HydrophobicContact CE3-CB 4.39Å; W293-N296 HydrophobicContact CG-CB 4.48Å; W293-N296 HydrophobicContact CH2-CB 4.13Å; W293-N296 HydrophobicContact CZ2-CB 3.67Å; W293-N296 HydrophobicContact CZ3-CB 4.46Å; W293-N296 PolarHBondContact N-O 3.49Å; W293-N296 PolarHBondContact NE1-ND2 3.34Å; W293-N296 VanDerWaalsContact NE1-ND2 3.15Å; W293-N296 WeakPolarHBondContact O-CA 3.47Å; W293-N296 WeakPolarHBondContact O-CB 3.46Å; W293-N296 PolarHBondContact O-N 3.45Å; W293-A298 HydrophobicContact CH2-CB 3.92Å; W293-A298 HydrophobicContact CZ3-CB 3.58Å; W293-T340 HydrophobicContact CH2-CG2 3.5Å; W293-T340 VanDerWaalsContact CH2-CG2 3.5Å; W293-T340 HydrophobicContact CZ2-CG2 3.61Å |
| 294 | G | 76.8 | Confident | 89.9 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 49% | 0.485 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -113.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I375 | G294-I375 WeakPolarHBondContact O-CG2 3.11Š|
| 295 | F | 77 | Confident | 89.9 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 43% | 0.434 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 16.7 | 178.1 | -49.9 | -80.8 | 0 | 0 | 0 | 112.9 | W293 S342 D343 L344 M346 | W293-F295 PolarHBondContact O-N 3.44Å; F295-S342 CarbonylContact O-C 3.44Å; F295-D343 PolarHBondContact O-N 3.4Å; F295-L344 WeakPolarHBondContact CB-O 3.44Å; F295-L344 VanDerWaalsContact CD1-O 3.28Å; F295-L344 WeakPolarHBondContact CD1-O 3.4Å; F295-L344 VanDerWaalsContact O-CB 3.28Å; F295-L344 WeakPolarHBondContact O-CB 3.33Å; F295-L344 WeakPolarHBondContact O-CG 3.32Å; F295-L344 PolarHBondContact O-N 2.85Å; F295-M346 HydrophobicContact CD1-CE 4.02Å; F295-M346 HydrophobicContact CD1-CG 3.74Å; F295-M346 HydrophobicContact CD1-SD 4.31Å; F295-M346 HydrophobicContact CE1-CB 4.28Å; F295-M346 HydrophobicContact CE1-CE 3.31Å; F295-M346 HydrophobicContact CE1-CG 3.38Å; F295-M346 HydrophobicContact CE1-SD 3.41Å; F295-M346 WeakPolarHBondContact CE1-SD 3.36Å; F295-M346 HydrophobicContact CE2-CE 3.94Å; F295-M346 HydrophobicContact CZ-CE 3.25Å; F295-M346 HydrophobicContact CZ-CG 4.31Å; F295-M346 HydrophobicContact CZ-SD 3.78Å |
| 296 | N | 79.3 | Confident | 89.9 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.2 | -169.9 | -55.1 | -51.9 | 0 | 0 | 0 | 112 | T292 W293 T340 I341 S342 | T292-N296 WeakPolarHBondContact CA-O 3.07Å; W293-N296 HydrophobicContact CD2-CB 3.95Å; W293-N296 HydrophobicContact CE3-CB 4.39Å; W293-N296 HydrophobicContact CG-CB 4.48Å; W293-N296 HydrophobicContact CH2-CB 4.13Å; W293-N296 HydrophobicContact CZ2-CB 3.67Å; W293-N296 HydrophobicContact CZ3-CB 4.46Å; W293-N296 PolarHBondContact N-O 3.49Å; W293-N296 PolarHBondContact NE1-ND2 3.34Å; W293-N296 VanDerWaalsContact NE1-ND2 3.15Å; W293-N296 WeakPolarHBondContact O-CA 3.47Å; W293-N296 WeakPolarHBondContact O-CB 3.46Å; W293-N296 PolarHBondContact O-N 3.45Å; N296-T340 HydrophobicContact CB-CG2 3.97Å; N296-I341 CarbonylContact C-O 3.54Å; N296-I341 VanDerWaalsContact CA-O 3.25Å; N296-I341 WeakPolarHBondContact CA-O 3.49Å; N296-S342 WeakPolarHBondContact OD1-CA 3.43Å; N296-S342 WeakPolarHBondContact OD1-CB 3.12Å; N296-S342 PolarHBondContact OD1-OG 2.77Å |
| 297 | V | 83.4 | Confident | 89.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.5 | 170.7 | 173.4 | 0 | 0 | 0 | 0 | 108.6 | I289 T292 L299 T340 I341 L344 F352 A373 I375 | I289-V297 HydrophobicContact CB-CG1 4.49Å; I289-V297 HydrophobicContact CG1-CG1 4.07Å; I289-V297 HydrophobicContact CG2-CG1 3.83Å; T292-V297 HydrophobicContact CG2-CG1 4.38Å; T292-V297 HydrophobicContact CG2-CG2 3.94Å; V297-L299 HydrophobicContact CG1-CD2 3.88Å; V297-L299 HydrophobicContact CG1-CG 4.26Å; V297-T340 WeakPolarHBondContact O-CA 3.44Å; V297-I341 PolarHBondContact N-O 3.41Å; V297-I341 PolarHBondContact O-N 2.61Å; V297-L344 HydrophobicContact CB-CD1 3.95Å; V297-L344 HydrophobicContact CG2-CD1 3.35Å; V297-F352 HydrophobicContact CB-CE2 4.14Å; V297-F352 HydrophobicContact CB-CZ 3.92Å; V297-F352 HydrophobicContact CG1-CD2 4.41Å; V297-F352 HydrophobicContact CG1-CE2 3.7Å; V297-F352 HydrophobicContact CG1-CZ 3.97Å; V297-F352 HydrophobicContact CG2-CE2 4.16Å; V297-F352 HydrophobicContact CG2-CZ 4Å; V297-A373 HydrophobicContact CG1-CB 4.2Å; V297-A373 HydrophobicContact CG2-CB 3.52Å; V297-I375 HydrophobicContact CG2-CD1 3.81Å |
| 298 | A | 83.7 | Confident | 89.8 | Confident | 16 Ų | 16 | 59 Ų | 59 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I289 V290 D291 W293 | I289-A298 WeakPolarHBondContact CA-O 3.04Å; V290-A298 HydrophobicContact CB-CB 4.24Å; V290-A298 PolarHBondContact N-O 3.2Å; D291-A298 HydrophobicContact CB-CB 4.44Å; D291-A298 PolarHBondContact O-N 3.3Å; W293-A298 HydrophobicContact CH2-CB 3.92Å; W293-A298 HydrophobicContact CZ3-CB 3.58Å |
| 299 | L | 93.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 142.7 | 174.6 | -61.4 | 176.4 | 0 | 0 | 0 | 110 | K288 I289 V297 W301 I317 N338 A339 I341 F352 T369 | K288-L299 WeakPolarHBondContact O-CA 3.22Å; I289-L299 HydrophobicContact CB-CD2 4.44Å; I289-L299 HydrophobicContact CG1-CD2 3.64Å; V297-L299 HydrophobicContact CG1-CD2 3.88Å; V297-L299 HydrophobicContact CG1-CG 4.26Å; L299-W301 HydrophobicContact CB-CE3 4.27Å; L299-W301 HydrophobicContact CB-CZ3 4.06Å; L299-I317 HydrophobicContact CD1-CG2 4.08Å; L299-N338 CarbonylContact O-C 3.54Å; L299-N338 WeakPolarHBondContact O-CA 3.39Å; L299-N338 WeakPolarHBondContact O-CB 3.3Å; L299-A339 PolarHBondContact N-O 2.89Å; L299-A339 PolarHBondContact O-N 2.93Å; L299-I341 HydrophobicContact CD1-CD1 4.46Å; L299-I341 HydrophobicContact CD1-CG1 3.72Å; L299-I341 HydrophobicContact CG-CG1 4.34Å; L299-F352 HydrophobicContact CD1-CB 3.69Å; L299-F352 HydrophobicContact CD1-CD1 3.73Å; L299-F352 HydrophobicContact CD1-CD2 4.31Å; L299-F352 HydrophobicContact CD1-CE1 4.44Å; L299-F352 HydrophobicContact CD1-CG 3.64Å; L299-F352 HydrophobicContact CD2-CB 4.14Å; L299-F352 HydrophobicContact CD2-CD2 3.81Å; L299-F352 HydrophobicContact CD2-CE2 4.41Å; L299-F352 HydrophobicContact CD2-CG 3.96Å; L299-F352 HydrophobicContact CG-CG 4.36Å; L299-T369 HydrophobicContact CD2-CG2 4.14Å |
| 300 | E | 96.6 | Very high | 89.8 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 142.3 | 168.9 | -174.3 | -179.4 | 171.6 | 0 | 0 | 109.3 | K288 V290 L337 | K288-E300 PolarHBondContact N-O 3.24Å; K288-E300 PolarHBondContact O-N 3.45Å; V290-E300 HydrophobicContact CG2-CB 3.48Å; V290-E300 VanDerWaalsContact CG2-CB 3.48Å; E300-L337 WeakPolarHBondContact CA-O 3.28Å |
| 301 | W | 97.9 | Very high | 90 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 163.6 | 176 | 59.9 | 94.3 | 0 | 0 | 0 | 112 | P284 S286 V287 L299 Y315 I317 Y334 R336 L337 A339 V354 | P284-W301 HydrophobicContact CB-CB 4.32Å; S286-W301 CarbonylContact O-C 3.51Å; S286-W301 WeakPolarHBondContact O-CA 3.38Å; S286-W301 WeakPolarHBondContact O-CB 3.38Å; V287-W301 HydrophobicContact CB-CB 4.33Å; V287-W301 HydrophobicContact CG2-CB 3.77Å; L299-W301 HydrophobicContact CB-CE3 4.27Å; L299-W301 HydrophobicContact CB-CZ3 4.06Å; W301-Y315 AromaticContact CD1-CD1 3.93Å; W301-Y315 AromaticContact CD1-CE1 3.88Å; W301-Y315 AromaticContact CE2-CG 3.99Å; W301-Y315 HydrophobicContact CZ2-CD2 4.17Å; W301-Y315 HydrophobicContact CZ2-CG 4.16Å; W301-Y315 AromaticContact NE1-CD1 3.37Å; W301-Y315 AromaticContact NE1-CD2 3.38Å; W301-Y315 AromaticContact NE1-CE1 3.62Å; W301-Y315 AromaticContact NE1-CE2 3.62Å; W301-Y315 AromaticContact NE1-CG 3.28Å; W301-Y315 VanDerWaalsContact NE1-CG 3.28Å; W301-Y315 AromaticContact NE1-CZ 3.75Å; W301-I317 HydrophobicContact CH2-CD1 3.52Å; W301-I317 HydrophobicContact CH2-CG1 3.92Å; W301-I317 HydrophobicContact CZ2-CD1 3.91Å; W301-I317 HydrophobicContact CZ2-CG1 4.32Å; W301-I317 HydrophobicContact CZ3-CD1 4.35Å; W301-I317 HydrophobicContact CZ3-CG1 4.35Å; W301-Y334 AromaticContact CH2-CD1 3.89Å; W301-Y334 HydrophobicContact CH2-CD1 3.89Å; W301-Y334 AromaticContact CH2-CE1 3.83Å; W301-Y334 HydrophobicContact CH2-CE1 3.83Å; W301-Y334 AromaticContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CE1 4.07Å; W301-R336 WeakPolarHBondContact CZ2-O 3.32Å; W301-L337 PolarHBondContact N-O 2.72Å; W301-L337 WeakPolarHBondContact O-CB 3.36Å; W301-A339 HydrophobicContact CH2-CB 3.67Å; W301-A339 HydrophobicContact CZ3-CB 3.85Å; W301-V354 HydrophobicContact CD2-CG1 4.11Å; W301-V354 HydrophobicContact CD2-CG2 4.32Å; W301-V354 HydrophobicContact CE3-CG2 4.19Å; W301-V354 HydrophobicContact CG-CG1 4.24Å; W301-V354 HydrophobicContact CZ2-CG1 4.42Å |
| 302 | T | 97.6 | Very high | 90.8 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 37% | 0.368 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145.3 | 175.9 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | P284 A285 S286 | P284-T302 CarbonylContact C-O 3.55Å; P284-T302 WeakPolarHBondContact CA-O 2.98Å; P284-T302 WeakPolarHBondContact CB-O 3.3Å; A285-T302 WeakPolarHBondContact CB-OG1 3.21Å; A285-T302 PolarHBondContact N-O 3.37Å; S286-T302 PolarHBondContact N-OG1 3.45Å; S286-T302 VanDerWaalsContact N-OG1 3.1Å; S286-T302 PolarHBondContact O-N 3.3Å; S286-T302 PolarHBondContact OG-OG1 3.49Å |
| 303 | A | 97.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | trans | -52.4 | 150.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A285 Y315 L337 | A285-A303 WeakPolarHBondContact CB-O 3.47Å; A303-Y315 WeakPolarHBondContact CA-OH 3.2Å; A303-L337 HydrophobicContact CB-CD2 4.44Å | ||
| 304 | P | 97.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | trans | -62.6 | 148.1 | 180 | 29.3 | -37.2 | 0 | 0 | 0 | 110.9 | G282 P283 D306 I312 S356 | G282-P304 VanDerWaalsContact O-CB 3.23Å; G282-P304 WeakPolarHBondContact O-CB 3.47Å; P283-P304 WeakPolarHBondContact O-CA 3.26Å; P283-P304 VanDerWaalsContact O-CB 3.23Å; P283-P304 WeakPolarHBondContact O-CB 3.46Å; P304-D306 VanDerWaalsContact C-N 3.25Å; P304-D306 PolarHBondContact O-N 2.87Å; P304-I312 HydrophobicContact CG-CD1 3.54Å; P304-I312 HydrophobicContact CG-CG1 3.77Å; P304-S356 WeakPolarHBondContact CD-OG 3.28Å; P304-S356 WeakPolarHBondContact CG-OG 3.37Å | ||
| 305 | K | 96.3 | Very high | 93.3 | Very high | 206 Ų | 206 | 48.6 Ų | 48.6 | 90% | 0.896 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -65.9 | -33.3 | 174.9 | -69.1 | -175.7 | -179.9 | 179.2 | 0 | 112 | A285 | A285-K305 HydrophobicContact CB-CG 4.15Š|
| 306 | D | 96.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 31% | 0.305 | 24% | 0.236 | S | C | . | . | trans | -118.4 | 121.1 | 175.6 | -167.7 | 1.2 | 0 | 0 | 0 | 110.1 | R252 G282 P304 G308 | R252-D306 IonicContact CZ-OD1 3.79Å; R252-D306 VanDerWaalsContact CZ-OD1 3.3Å; R252-D306 IonicContact CZ-OD2 3.28Å; R252-D306 IonicContact NH1-OD1 2.71Å; R252-D306 PolarHBondContact NH1-OD1 2.84Å; R252-D306 IonicContact NH1-OD2 2.84Å; R252-D306 PolarHBondContact NH1-OD2 2.85Å; R252-D306 IonicContact NH2-OD1 2.88Å; R252-D306 PolarHBondContact NH2-OD1 3.13Å; G282-D306 PolarHBondContact N-O 2.95Å; P304-D306 VanDerWaalsContact C-N 3.25Å; P304-D306 PolarHBondContact O-N 2.87Å; D306-G308 PolarHBondContact OD1-N 3.48Å; D306-G308 VanDerWaalsContact OD1-N 3.09Å | ||
| 307 | S | 95.9 | Very high | 95 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | trans | -93.8 | 5.8 | -179.7 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | T310 N358 | S307-T310 WeakPolarHBondContact CB-O 3.5Å; S307-T310 PolarHBondContact OG-O 2.92Å; S307-N358 PolarHBondContact O-ND2 2.91Å | ||
| 308 | G | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 33.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V278 E279 D306 T310 | V278-G308 WeakPolarHBondContact CA-O 3.45Å; E279-G308 PolarHBondContact N-O 2.78Å; D306-G308 PolarHBondContact OD1-N 3.48Å; D306-G308 VanDerWaalsContact OD1-N 3.09Å; G308-T310 PolarHBondContact O-N 2.83Å |
| 309 | N | 95.3 | Very high | 96 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 27.5 | -177.6 | -162 | 32 | 0 | 0 | 0 | 114.9 | R252 S255 Q276 I277 | R252-N309 HydrophobicContact CG-CB 4.3Å; S255-N309 PolarHBondContact OG-ND2 2.87Å; Q276-N309 PolarHBondContact NE2-O 2.84Å; I277-N309 WeakPolarHBondContact O-CB 3.22Å; I277-N309 PolarHBondContact O-ND2 3.18Å |
| 310 | T | 95.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -146.7 | 168.9 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | V278 S307 G308 N358 K359 | V278-T310 HydrophobicContact CB-CG2 4.39Å; V278-T310 HydrophobicContact CG1-CG2 4.39Å; S307-T310 WeakPolarHBondContact CB-O 3.5Å; S307-T310 PolarHBondContact OG-O 2.92Å; G308-T310 PolarHBondContact O-N 2.83Å; T310-N358 HydrophobicContact CG2-CB 3.55Å; T310-N358 WeakPolarHBondContact CG2-ND2 3.14Å; T310-K359 HydrophobicContact CG2-CG 4.12Å; T310-K359 WeakPolarHBondContact OG1-CD 3.37Å; T310-K359 VanDerWaalsContact OG1-CE 3.25Å; T310-K359 WeakPolarHBondContact OG1-CE 3.45Å |
| 311 | E | 95.1 | Very high | 95.4 | Very high | 151 Ų | 151 | 41.6 Ų | 41.6 | 71% | 0.706 | 22% | 0.221 | S | C | * | . | trans | -69.7 | 148 | 177.5 | 67.8 | -166.3 | 163.9 | 0 | 0 | 112.3 | T313 N358 | E311-T313 HydrophobicContact CG-CG2 4.39Å; E311-N358 WeakPolarHBondContact O-CB 3.4Å | ||
| 312 | I | 97.6 | Very high | 94.9 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.7 | 170.1 | -60.6 | -56.4 | 0 | 0 | 0 | 108.1 | P281 P304 G314 Y315 E357 N358 | P281-I312 HydrophobicContact CB-CD1 3.52Å; P281-I312 HydrophobicContact CG-CD1 4.26Å; P304-I312 HydrophobicContact CG-CD1 3.54Å; P304-I312 HydrophobicContact CG-CG1 3.77Å; I312-G314 WeakPolarHBondContact CG2-O 3.25Å; I312-Y315 HydrophobicContact CG2-CE1 4.15Å; I312-Y315 HydrophobicContact CG2-CE2 4.19Å; I312-E357 CarbonylContact C-O 3.53Å; I312-E357 VanDerWaalsContact CA-O 3.31Å; I312-E357 WeakPolarHBondContact CA-O 3.15Å; I312-E357 WeakPolarHBondContact CG2-O 3.47Å; I312-N358 HydrophobicContact CD1-CB 4.43Å |
| 313 | T | 95.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -20.7 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | E311 E357 N358 | E311-T313 HydrophobicContact CG-CG2 4.39Å; T313-E357 PolarHBondContact N-O 3.34Å; T313-E357 PolarHBondContact OG1-O 3.13Å; T313-N358 WeakPolarHBondContact OG1-CA 3.4Å |
| 314 | G | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -168.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I312 Y334 E357 | I312-G314 WeakPolarHBondContact CG2-O 3.25Å; G314-Y334 CarbonylContact C-O 3.56Å; G314-Y334 VanDerWaalsContact CA-O 3.24Å; G314-Y334 WeakPolarHBondContact CA-O 3.15Å; G314-E357 PolarHBondContact N-O 3.47Å; G314-E357 WeakPolarHBondContact O-CB 3.15Å; G314-E357 PolarHBondContact O-N 2.92Å |
| 315 | Y | 97.4 | Very high | 93 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.7 | 179.6 | -59.5 | -81.9 | 0 | 0 | 0 | 110.4 | P284 W301 A303 I312 H333 Y334 R336 L337 V354 F355 | P284-Y315 HydrophobicContact CG-CD1 4.19Å; P284-Y315 HydrophobicContact CG-CE1 4.31Å; W301-Y315 AromaticContact CD1-CD1 3.93Å; W301-Y315 AromaticContact CD1-CE1 3.88Å; W301-Y315 AromaticContact CE2-CG 3.99Å; W301-Y315 HydrophobicContact CZ2-CD2 4.17Å; W301-Y315 HydrophobicContact CZ2-CG 4.16Å; W301-Y315 AromaticContact NE1-CD1 3.37Å; W301-Y315 AromaticContact NE1-CD2 3.38Å; W301-Y315 AromaticContact NE1-CE1 3.62Å; W301-Y315 AromaticContact NE1-CE2 3.62Å; W301-Y315 AromaticContact NE1-CG 3.28Å; W301-Y315 VanDerWaalsContact NE1-CG 3.28Å; W301-Y315 AromaticContact NE1-CZ 3.75Å; A303-Y315 WeakPolarHBondContact CA-OH 3.2Å; I312-Y315 HydrophobicContact CG2-CE1 4.15Å; I312-Y315 HydrophobicContact CG2-CE2 4.19Å; Y315-H333 PolarHBondContact O-N 3.08Å; Y315-Y334 WeakPolarHBondContact CD2-O 3.07Å; Y315-Y334 PolarHBondContact N-O 2.83Å; Y315-Y334 WeakPolarHBondContact O-CB 3.37Å; Y315-Y334 PolarHBondContact O-N 3.4Å; Y315-R336 WeakPolarHBondContact CD2-O 3.44Å; Y315-L337 HydrophobicContact CE1-CD2 4.5Å; Y315-L337 HydrophobicContact CE2-CD2 3.64Å; Y315-L337 WeakPolarHBondContact OH-CD2 3.23Å; Y315-V354 HydrophobicContact CD1-CG1 4.09Å; Y315-V354 HydrophobicContact CG-CG1 4.36Å; Y315-F355 WeakPolarHBondContact CA-O 3.34Å; Y315-F355 WeakPolarHBondContact CB-O 3.09Å; Y315-F355 WeakPolarHBondContact CD1-O 3.34Å |
| 316 | T | 95.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.6 | 169.9 | -78.8 | 0 | 0 | 0 | 0 | 108.9 | Q318 T329 L331 E332 V354 F355 E357 M362 | T316-Q318 HydrophobicContact CG2-CG 4.21Å; T316-T329 HydrophobicContact CG2-CG2 3.92Å; T316-L331 CarbonylContact C-O 3.57Å; T316-L331 WeakPolarHBondContact CA-O 3.37Å; T316-E332 HydrophobicContact CG2-CG 4.49Å; T316-V354 CarbonylContact O-C 3.54Å; T316-V354 WeakPolarHBondContact O-CA 3.23Å; T316-F355 HydrophobicContact CG2-CD2 4.36Å; T316-F355 PolarHBondContact N-O 2.83Å; T316-F355 PolarHBondContact O-N 2.83Å; T316-E357 WeakPolarHBondContact CB-OE1 3.44Å; T316-E357 PolarHBondContact N-OE1 2.83Å; T316-E357 VanDerWaalsContact N-OE1 3.09Å; T316-E357 PolarHBondContact OG1-OE1 2.87Å; T316-M362 HydrophobicContact CG2-SD 4.17Å |
| 317 | I | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.4 | -179.2 | -57.9 | 115.8 | 0 | 0 | 0 | 109.2 | L299 W301 V330 L331 Y334 A339 I341 V354 | L299-I317 HydrophobicContact CD1-CG2 4.08Å; W301-I317 HydrophobicContact CH2-CD1 3.52Å; W301-I317 HydrophobicContact CH2-CG1 3.92Å; W301-I317 HydrophobicContact CZ2-CD1 3.91Å; W301-I317 HydrophobicContact CZ2-CG1 4.32Å; W301-I317 HydrophobicContact CZ3-CD1 4.35Å; W301-I317 HydrophobicContact CZ3-CG1 4.35Å; I317-V330 PolarHBondContact O-N 2.59Å; I317-L331 HydrophobicContact CB-CB 4.3Å; I317-L331 HydrophobicContact CD1-CB 3.7Å; I317-L331 HydrophobicContact CD1-CD1 3.84Å; I317-L331 HydrophobicContact CD1-CG 4.38Å; I317-L331 PolarHBondContact N-O 3.4Å; I317-L331 PolarHBondContact O-N 2.98Å; I317-Y334 HydrophobicContact CD1-CD1 3.95Å; I317-Y334 HydrophobicContact CD1-CG 4.2Å; I317-A339 HydrophobicContact CD1-CB 4.46Å; I317-I341 HydrophobicContact CG2-CD1 4.11Å; I317-V354 HydrophobicContact CG1-CG1 4.06Å; I317-V354 HydrophobicContact CG1-CG2 3.91Å; I317-V354 HydrophobicContact CG2-CG2 4.3Å |
| 318 | Q | 94.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.8 | 175.6 | -52.4 | -168.8 | -36.4 | 0 | 0 | 111.1 | T316 W327 F328 T329 F352 R353 F355 | T316-Q318 HydrophobicContact CG2-CG 4.21Å; Q318-W327 HydrophobicContact CB-CE3 4Å; Q318-F328 CarbonylContact C-O 3.46Å; Q318-F328 WeakPolarHBondContact CA-O 3.38Å; Q318-F328 WeakPolarHBondContact CB-O 3.34Å; Q318-T329 PolarHBondContact NE2-OG1 3.33Å; Q318-F352 WeakPolarHBondContact O-CA 3.07Å; Q318-R353 HydrophobicContact CB-CG 4Å; Q318-R353 PolarHBondContact N-O 2.91Å; Q318-R353 PolarHBondContact O-N 2.83Å; Q318-F355 HydrophobicContact CG-CE2 4.15Å |
| 319 | K | 93.3 | Very high | 91.2 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.1 | 174.2 | 71.7 | 176.5 | -178.6 | 166.9 | 0 | 110.7 | W327 F328 V330 L344 Y350 K351 F352 | K319-W327 CarbonylContact O-C 3.56Å; K319-W327 WeakPolarHBondContact O-CA 3.32Å; K319-F328 PolarHBondContact N-O 3.17Å; K319-F328 PolarHBondContact O-N 3.4Å; K319-V330 HydrophobicContact CB-CG2 3.91Å; K319-V330 HydrophobicContact CD-CG2 3.78Å; K319-V330 HydrophobicContact CG-CG2 3.55Å; K319-L344 HydrophobicContact CD-CD2 3.82Å; K319-Y350 HydrophobicContact CD-CD1 4.39Å; K319-Y350 HydrophobicContact CD-CE1 4.43Å; K319-K351 CarbonylContact C-O 3.59Å; K319-K351 WeakPolarHBondContact CA-O 3.37Å; K319-F352 HydrophobicContact CB-CD1 3.77Å; K319-F352 HydrophobicContact CB-CE1 3.72Å |
| 320 | A | 91.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | D326 W327 Y350 K351 | A320-D326 VanDerWaalsContact CA-O 3.28Å; A320-D326 WeakPolarHBondContact CA-O 3.23Å; A320-D326 WeakPolarHBondContact CB-O 3.25Å; A320-W327 HydrophobicContact CB-CD2 3.64Å; A320-W327 HydrophobicContact CB-CE3 3.66Å; A320-W327 HydrophobicContact CB-CG 4.17Å; A320-W327 HydrophobicContact CB-CH2 4.14Å; A320-W327 HydrophobicContact CB-CZ2 4.12Å; A320-W327 HydrophobicContact CB-CZ3 3.9Å; A320-Y350 CarbonylContact O-C 3.58Å; A320-Y350 VanDerWaalsContact O-CA 3.29Å; A320-Y350 WeakPolarHBondContact O-CA 3.38Å; A320-K351 PolarHBondContact N-O 2.97Å; A320-K351 PolarHBondContact O-N 2.89Å |
| 321 | D | 85.4 | Confident | 90.2 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.3 | 169.3 | -169.9 | -51.5 | 0 | 0 | 0 | 108.7 | K323 T324 G325 N348 Y350 | D321-K323 PolarHBondContact O-N 3.01Å; D321-K323 WeakPolarHBondContact OD1-CB 3.4Å; D321-K323 PolarHBondContact OD1-N 3.26Å; D321-T324 PolarHBondContact O-N 3.38Å; D321-G325 WeakPolarHBondContact O-CA 3.4Å; D321-G325 PolarHBondContact O-N 3.27Å; D321-N348 WeakPolarHBondContact OD2-CB 3.46Å; D321-N348 VanDerWaalsContact OD2-CG 3.29Å; D321-N348 PolarHBondContact OD2-ND2 2.88Å; D321-Y350 HydrophobicContact CB-CD1 4.18Å; D321-Y350 HydrophobicContact CB-CE1 3.86Å |
| 322 | K | 86.9 | Confident | 90 | Very high | 128 Ų | 128 | 58.8 Ų | 58.8 | 56% | 0.557 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.8 | 179.3 | -174 | 174.3 | -172.1 | 164.1 | 0 | 113 | T349 E372 | K322-T349 HydrophobicContact CB-CG2 4.27Å; K322-T349 VanDerWaalsContact CB-O 3.27Å; K322-T349 WeakPolarHBondContact CB-O 3.36Å; K322-T349 HydrophobicContact CD-CG2 3.89Å; K322-T349 PolarHBondContact N-O 2.82Å; K322-E372 WeakPolarHBondContact CD-OE2 3.34Å; K322-E372 WeakPolarHBondContact CE-OE2 3.3Å; K322-E372 IonicContact NZ-OE1 2.67Å; K322-E372 IonicContact NZ-OE2 3.5Å; K322-E372 PolarHBondContact NZ-OE2 2.8Å |
| 323 | K | 84 | Confident | 89.7 | Confident | 157 Ų | 157 | 63.2 Ų | 63.2 | 68% | 0.683 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -43 | 179 | -66 | 173.7 | 179.1 | 168.3 | 0 | 112.1 | D321 N348 | D321-K323 PolarHBondContact O-N 3.01Å; D321-K323 WeakPolarHBondContact OD1-CB 3.4Å; D321-K323 PolarHBondContact OD1-N 3.26Å; K323-N348 PolarHBondContact NZ-OD1 3.1Å |
| 324 | T | 85.7 | Confident | 89.5 | Confident | 83 Ų | 83 | 62 Ų | 62 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -37.5 | -177.1 | 64 | 0 | 0 | 0 | 0 | 111.9 | D321 D326 | D321-T324 PolarHBondContact O-N 3.38Å; T324-D326 PolarHBondContact O-N 3.27Å; T324-D326 PolarHBondContact OG1-N 3.43Å |
| 325 | G | 83.3 | Confident | 89.3 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | trans | 77.6 | -9.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D321 | D321-G325 WeakPolarHBondContact O-CA 3.4Å; D321-G325 PolarHBondContact O-N 3.27Å | ||
| 326 | D | 84.6 | Confident | 89.1 | Confident | 97 Ų | 97 | 74.6 Ų | 74.6 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | trans | -76.7 | 135.6 | -177.3 | -63.9 | -43.9 | 0 | 0 | 0 | 112.1 | A320 T324 F328 | A320-D326 VanDerWaalsContact CA-O 3.28Å; A320-D326 WeakPolarHBondContact CA-O 3.23Å; A320-D326 WeakPolarHBondContact CB-O 3.25Å; T324-D326 PolarHBondContact O-N 3.27Å; T324-D326 PolarHBondContact OG1-N 3.43Å; D326-F328 HydrophobicContact CB-CD2 4.45Å; D326-F328 HydrophobicContact CB-CE2 3.6Å; D326-F328 HydrophobicContact CB-CZ 3.88Å; D326-F328 WeakPolarHBondContact O-CD2 3.35Å | ||
| 327 | W | 89.3 | Confident | 89 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.4 | 177.5 | -69.1 | 94.5 | 0 | 0 | 0 | 111.2 | Q318 K319 A320 K351 R353 V368 | Q318-W327 HydrophobicContact CB-CE3 4Å; K319-W327 CarbonylContact O-C 3.56Å; K319-W327 WeakPolarHBondContact O-CA 3.32Å; A320-W327 HydrophobicContact CB-CD2 3.64Å; A320-W327 HydrophobicContact CB-CE3 3.66Å; A320-W327 HydrophobicContact CB-CG 4.17Å; A320-W327 HydrophobicContact CB-CH2 4.14Å; A320-W327 HydrophobicContact CB-CZ2 4.12Å; A320-W327 HydrophobicContact CB-CZ3 3.9Å; W327-K351 HydrophobicContact CH2-CB 3.88Å; W327-R353 HydrophobicContact CD2-CG 4.18Å; W327-R353 HydrophobicContact CE3-CB 4.35Å; W327-R353 HydrophobicContact CE3-CG 3.61Å; W327-R353 VanDerWaalsContact CG-CZ 3.46Å; W327-R353 HydrophobicContact CH2-CB 3.78Å; W327-R353 HydrophobicContact CH2-CG 3.92Å; W327-R353 HydrophobicContact CZ2-CG 4.46Å; W327-R353 HydrophobicContact CZ3-CB 3.71Å; W327-R353 HydrophobicContact CZ3-CG 3.48Å; W327-R353 VanDerWaalsContact CZ3-CG 3.48Å; W327-V368 HydrophobicContact CH2-CG1 4.14Å |
| 328 | F | 83.8 | Confident | 88.8 | Confident | 118 Ų | 118 | 81.8 Ų | 81.8 | 52% | 0.518 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.7 | 175.6 | -62.1 | -85.3 | 0 | 0 | 0 | 110.6 | Q318 K319 D326 | Q318-F328 CarbonylContact C-O 3.46Å; Q318-F328 WeakPolarHBondContact CA-O 3.38Å; Q318-F328 WeakPolarHBondContact CB-O 3.34Å; K319-F328 PolarHBondContact N-O 3.17Å; K319-F328 PolarHBondContact O-N 3.4Å; D326-F328 HydrophobicContact CB-CD2 4.45Å; D326-F328 HydrophobicContact CB-CE2 3.6Å; D326-F328 HydrophobicContact CB-CZ 3.88Å; D326-F328 WeakPolarHBondContact O-CD2 3.35Å |
| 329 | T | 88.4 | Confident | 88.4 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 36% | 0.362 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.3 | 173.2 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | T316 Q318 E332 | T316-T329 HydrophobicContact CG2-CG2 3.92Å; Q318-T329 PolarHBondContact NE2-OG1 3.33Å; T329-E332 HydrophobicContact CG2-CG 3.34Å |
| 330 | V | 86.9 | Confident | 88 | Confident | 53 Ų | 53 | 82 Ų | 82 | 32% | 0.321 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -38.4 | 178.7 | -168.5 | 0 | 0 | 0 | 0 | 111.1 | I317 K319 I341 | I317-V330 PolarHBondContact O-N 2.59Å; K319-V330 HydrophobicContact CB-CG2 3.91Å; K319-V330 HydrophobicContact CD-CG2 3.78Å; K319-V330 HydrophobicContact CG-CG2 3.55Å; V330-I341 HydrophobicContact CB-CD1 4.37Å; V330-I341 HydrophobicContact CG1-CD1 4.01Å; V330-I341 HydrophobicContact CG1-CG2 3.99Å; V330-I341 HydrophobicContact CG2-CG2 4.49Å |
| 331 | L | 83.3 | Confident | 87.8 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.9 | 178.1 | -67.8 | 172.8 | 0 | 0 | 0 | 109.1 | T316 I317 Y334 A339 I341 | T316-L331 CarbonylContact C-O 3.57Å; T316-L331 WeakPolarHBondContact CA-O 3.37Å; I317-L331 HydrophobicContact CB-CB 4.3Å; I317-L331 HydrophobicContact CD1-CB 3.7Å; I317-L331 HydrophobicContact CD1-CD1 3.84Å; I317-L331 HydrophobicContact CD1-CG 4.38Å; I317-L331 PolarHBondContact N-O 3.4Å; I317-L331 PolarHBondContact O-N 2.98Å; L331-Y334 HydrophobicContact CD1-CD2 4.12Å; L331-Y334 HydrophobicContact CD1-CE2 4.28Å; L331-Y334 HydrophobicContact CD1-CG 4.32Å; L331-A339 HydrophobicContact CD1-CB 3.81Å; L331-I341 HydrophobicContact CD1-CD1 4.1Å |
| 332 | E | 91.2 | Very high | 87.6 | Confident | 124 Ų | 124 | 83.2 Ų | 83.2 | 58% | 0.579 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.4 | 177.4 | -66.1 | -178.1 | 158.4 | 0 | 0 | 109.3 | T316 T329 Y334 | T316-E332 HydrophobicContact CG2-CG 4.49Å; T329-E332 HydrophobicContact CG2-CG 3.34Å; E332-Y334 PolarHBondContact O-N 2.68Å |
| 333 | H | 90.9 | Very high | 87.1 | Confident | 138 Ų | 138 | 83.9 Ų | 83.9 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53 | 31.2 | 176.8 | -50.8 | -50.8 | 0 | 0 | 0 | 113.5 | Y315 E357 | Y315-H333 PolarHBondContact O-N 3.08Å; H333-E357 IonicContact CE1-OE2 2.74Å; H333-E357 IonicContact CG-OE2 3.96Å; H333-E357 PolarHBondContact N-OE1 2.84Å; H333-E357 IonicContact ND1-OE1 3.15Å; H333-E357 IonicContact ND1-OE2 3.57Å; H333-E357 PolarHBondContact ND1-OE2 2.9Å |
| 334 | Y | 90.4 | Very high | 87 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 18% | 0.184 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.1 | -172.4 | -175 | -103 | 0 | 0 | 0 | 110.7 | W301 G314 Y315 I317 L331 E332 R336 N338 A339 | W301-Y334 AromaticContact CH2-CD1 3.89Å; W301-Y334 HydrophobicContact CH2-CD1 3.89Å; W301-Y334 AromaticContact CH2-CE1 3.83Å; W301-Y334 HydrophobicContact CH2-CE1 3.83Å; W301-Y334 AromaticContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CE1 4.07Å; G314-Y334 CarbonylContact C-O 3.56Å; G314-Y334 VanDerWaalsContact CA-O 3.24Å; G314-Y334 WeakPolarHBondContact CA-O 3.15Å; Y315-Y334 WeakPolarHBondContact CD2-O 3.07Å; Y315-Y334 PolarHBondContact N-O 2.83Å; Y315-Y334 WeakPolarHBondContact O-CB 3.37Å; Y315-Y334 PolarHBondContact O-N 3.4Å; I317-Y334 HydrophobicContact CD1-CD1 3.95Å; I317-Y334 HydrophobicContact CD1-CG 4.2Å; L331-Y334 HydrophobicContact CD1-CD2 4.12Å; L331-Y334 HydrophobicContact CD1-CE2 4.28Å; L331-Y334 HydrophobicContact CD1-CG 4.32Å; E332-Y334 PolarHBondContact O-N 2.68Å; Y334-R336 HydrophobicContact CD1-CB 4.33Å; Y334-R336 HydrophobicContact CE1-CB 3.53Å; Y334-R336 HydrophobicContact CE1-CG 4.24Å; Y334-N338 WeakPolarHBondContact CE1-O 3.42Å; Y334-N338 VanDerWaalsContact CZ-O 3.32Å; Y334-N338 PolarHBondContact OH-O 2.78Å; Y334-A339 HydrophobicContact CE1-CB 3.9Å |
| 335 | H | 92.9 | Very high | 86.7 | Confident | 137 Ų | 137 | 77.5 Ų | 77.5 | 63% | 0.634 | 40% | 0.396 | S | S | * | . | trans | -95.3 | -5.2 | -166.6 | 60.5 | -87 | 0 | 0 | 0 | 114.8 | ||||
| 336 | R | 91.8 | Very high | 86.4 | Confident | 142 Ų | 142 | 79.1 Ų | 79.1 | 54% | 0.536 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -98.1 | 165.7 | 179.8 | -50.6 | -175.3 | 176.9 | -168.7 | -1.4 | 111.2 | W301 Y315 Y334 | W301-R336 WeakPolarHBondContact CZ2-O 3.32Å; Y315-R336 WeakPolarHBondContact CD2-O 3.44Å; Y334-R336 HydrophobicContact CD1-CB 4.33Å; Y334-R336 HydrophobicContact CE1-CB 3.53Å; Y334-R336 HydrophobicContact CE1-CG 4.24Å |
| 337 | L | 94.2 | Very high | 86.1 | Confident | 73 Ų | 73 | 76.3 Ų | 76.3 | 38% | 0.382 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -96.4 | 4.5 | 177 | -69.9 | 175.9 | 0 | 0 | 0 | 113.6 | E300 W301 A303 Y315 | E300-L337 WeakPolarHBondContact CA-O 3.28Å; W301-L337 PolarHBondContact N-O 2.72Å; W301-L337 WeakPolarHBondContact O-CB 3.36Å; A303-L337 HydrophobicContact CB-CD2 4.44Å; Y315-L337 HydrophobicContact CE1-CD2 4.5Å; Y315-L337 HydrophobicContact CE2-CD2 3.64Å; Y315-L337 WeakPolarHBondContact OH-CD2 3.23Å |
| 338 | N | 93.7 | Very high | 85.8 | Confident | 86 Ų | 86 | 73.3 Ų | 73.3 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.3 | 173.8 | 58.1 | 56.7 | 0 | 0 | 0 | 110.2 | L299 Y334 | L299-N338 CarbonylContact O-C 3.54Å; L299-N338 WeakPolarHBondContact O-CA 3.39Å; L299-N338 WeakPolarHBondContact O-CB 3.3Å; Y334-N338 WeakPolarHBondContact CE1-O 3.42Å; Y334-N338 VanDerWaalsContact CZ-O 3.32Å; Y334-N338 PolarHBondContact OH-O 2.78Å |
| 339 | A | 84.9 | Confident | 86.2 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 146.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L299 W301 I317 L331 Y334 I341 | L299-A339 PolarHBondContact N-O 2.89Å; L299-A339 PolarHBondContact O-N 2.93Å; W301-A339 HydrophobicContact CH2-CB 3.67Å; W301-A339 HydrophobicContact CZ3-CB 3.85Å; I317-A339 HydrophobicContact CD1-CB 4.46Å; L331-A339 HydrophobicContact CD1-CB 3.81Å; Y334-A339 HydrophobicContact CE1-CB 3.9Å; A339-I341 HydrophobicContact CB-CD1 4.37Å |
| 340 | T | 85.6 | Confident | 86.4 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.6 | 166.2 | -61.7 | 0 | 0 | 0 | 0 | 108.1 | W293 N296 V297 | W293-T340 HydrophobicContact CH2-CG2 3.5Å; W293-T340 VanDerWaalsContact CH2-CG2 3.5Å; W293-T340 HydrophobicContact CZ2-CG2 3.61Å; N296-T340 HydrophobicContact CB-CG2 3.97Å; V297-T340 WeakPolarHBondContact O-CA 3.44Å |
| 341 | I | 86.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.8 | 174.9 | -53 | -54.4 | 0 | 0 | 0 | 108.3 | N296 V297 L299 I317 V330 L331 A339 L344 F352 | N296-I341 CarbonylContact C-O 3.54Å; N296-I341 VanDerWaalsContact CA-O 3.25Å; N296-I341 WeakPolarHBondContact CA-O 3.49Å; V297-I341 PolarHBondContact N-O 3.41Å; V297-I341 PolarHBondContact O-N 2.61Å; L299-I341 HydrophobicContact CD1-CD1 4.46Å; L299-I341 HydrophobicContact CD1-CG1 3.72Å; L299-I341 HydrophobicContact CG-CG1 4.34Å; I317-I341 HydrophobicContact CG2-CD1 4.11Å; V330-I341 HydrophobicContact CB-CD1 4.37Å; V330-I341 HydrophobicContact CG1-CD1 4.01Å; V330-I341 HydrophobicContact CG1-CG2 3.99Å; V330-I341 HydrophobicContact CG2-CG2 4.49Å; L331-I341 HydrophobicContact CD1-CD1 4.1Å; A339-I341 HydrophobicContact CB-CD1 4.37Å; I341-L344 HydrophobicContact CG2-CD2 4.1Å; I341-L344 HydrophobicContact CG2-CG 4.49Å; I341-F352 HydrophobicContact CB-CE1 4.03Å; I341-F352 HydrophobicContact CG1-CD1 4.27Å; I341-F352 HydrophobicContact CG1-CE1 4.02Å; I341-F352 HydrophobicContact CG2-CE1 3.88Å |
| 342 | S | 81.6 | Confident | 87.4 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | trans | -102.7 | 179.5 | -175.6 | -65 | 0 | 0 | 0 | 0 | 112.8 | F295 N296 L344 | F295-S342 CarbonylContact O-C 3.44Å; N296-S342 WeakPolarHBondContact OD1-CA 3.43Å; N296-S342 WeakPolarHBondContact OD1-CB 3.12Å; N296-S342 PolarHBondContact OD1-OG 2.77Å; S342-L344 VanDerWaalsContact C-N 3.27Å; S342-L344 PolarHBondContact O-N 2.91Å | ||
| 343 | D | 77.1 | Confident | 87.7 | Confident | 141 Ų | 141 | 62.5 Ų | 62.5 | 75% | 0.754 | 32% | 0.315 | S | S | * | . | trans | 57.4 | 36.8 | 174.7 | -51.8 | -42.5 | 0 | 0 | 0 | 113.8 | F295 | F295-D343 PolarHBondContact O-N 3.4Š| ||
| 344 | L | 80.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 140.1 | 175 | -58.1 | 176.8 | 0 | 0 | 0 | 110.9 | F295 V297 K319 I341 S342 M346 Y350 F352 I375 | F295-L344 WeakPolarHBondContact CB-O 3.44Å; F295-L344 VanDerWaalsContact CD1-O 3.28Å; F295-L344 WeakPolarHBondContact CD1-O 3.4Å; F295-L344 VanDerWaalsContact O-CB 3.28Å; F295-L344 WeakPolarHBondContact O-CB 3.33Å; F295-L344 WeakPolarHBondContact O-CG 3.32Å; F295-L344 PolarHBondContact O-N 2.85Å; V297-L344 HydrophobicContact CB-CD1 3.95Å; V297-L344 HydrophobicContact CG2-CD1 3.35Å; K319-L344 HydrophobicContact CD-CD2 3.82Å; I341-L344 HydrophobicContact CG2-CD2 4.1Å; I341-L344 HydrophobicContact CG2-CG 4.49Å; S342-L344 VanDerWaalsContact C-N 3.27Å; S342-L344 PolarHBondContact O-N 2.91Å; L344-M346 PolarHBondContact O-N 3.38Å; L344-Y350 HydrophobicContact CB-CD2 4.25Å; L344-Y350 HydrophobicContact CB-CE2 3.78Å; L344-Y350 HydrophobicContact CD1-CD2 4.24Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CD2 4.15Å; L344-Y350 HydrophobicContact CD2-CE1 4.09Å; L344-Y350 HydrophobicContact CD2-CE2 4.06Å; L344-Y350 HydrophobicContact CD2-CG 4.23Å; L344-Y350 HydrophobicContact CG-CD2 4.46Å; L344-Y350 HydrophobicContact CG-CE2 4.36Å; L344-F352 HydrophobicContact CD1-CZ 4.03Å; L344-I375 HydrophobicContact CB-CD1 4.18Å; L344-I375 HydrophobicContact CB-CG1 3.99Å; L344-I375 HydrophobicContact CD1-CD1 3.85Å; L344-I375 HydrophobicContact CD1-CG1 4.43Å |
| 345 | I | 79.3 | Confident | 88.5 | Confident | 105 Ų | 105 | 54.4 Ų | 54.4 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 127.8 | -176.5 | -58.9 | 169.3 | 0 | 0 | 0 | 110.8 | N348 Y350 | I345-N348 HydrophobicContact CB-CB 4.41Å; I345-N348 WeakPolarHBondContact O-CB 3.3Å; I345-N348 PolarHBondContact O-N 2.89Å; I345-N348 VanDerWaalsContact O-N 3.16Å; I345-Y350 WeakPolarHBondContact CB-OH 3.18Å; I345-Y350 PolarHBondContact N-OH 2.75Å; I345-Y350 VanDerWaalsContact N-OH 3.11Å |
| 346 | M | 77.5 | Confident | 88.7 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 39% | 0.389 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 137.6 | 173.2 | -87.5 | 175.3 | 179.9 | 0 | 0 | 112.4 | F295 L344 N348 I375 | F295-M346 HydrophobicContact CD1-CE 4.02Å; F295-M346 HydrophobicContact CD1-CG 3.74Å; F295-M346 HydrophobicContact CD1-SD 4.31Å; F295-M346 HydrophobicContact CE1-CB 4.28Å; F295-M346 HydrophobicContact CE1-CE 3.31Å; F295-M346 HydrophobicContact CE1-CG 3.38Å; F295-M346 HydrophobicContact CE1-SD 3.41Å; F295-M346 WeakPolarHBondContact CE1-SD 3.36Å; F295-M346 HydrophobicContact CE2-CE 3.94Å; F295-M346 HydrophobicContact CZ-CE 3.25Å; F295-M346 HydrophobicContact CZ-CG 4.31Å; F295-M346 HydrophobicContact CZ-SD 3.78Å; L344-M346 PolarHBondContact O-N 3.38Å; M346-N348 PolarHBondContact O-N 2.81Å; M346-I375 HydrophobicContact CG-CG2 4.09Å |
| 347 | G | 78.1 | Confident | 88.9 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 38% | 0.381 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -8.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I375 | G347-I375 VanDerWaalsContact CA-O 3.24Å; G347-I375 WeakPolarHBondContact CA-O 3.19Å; G347-I375 PolarHBondContact N-O 2.64Å |
| 348 | N | 84.3 | Confident | 89 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | trans | -88.2 | 163.4 | 175.4 | -67.9 | 0.5 | 0 | 0 | 0 | 111.5 | D321 K323 I345 M346 Y350 I375 | D321-N348 WeakPolarHBondContact OD2-CB 3.46Å; D321-N348 VanDerWaalsContact OD2-CG 3.29Å; D321-N348 PolarHBondContact OD2-ND2 2.88Å; K323-N348 PolarHBondContact NZ-OD1 3.1Å; I345-N348 HydrophobicContact CB-CB 4.41Å; I345-N348 WeakPolarHBondContact O-CB 3.3Å; I345-N348 PolarHBondContact O-N 2.89Å; I345-N348 VanDerWaalsContact O-N 3.16Å; M346-N348 PolarHBondContact O-N 2.81Å; N348-Y350 HydrophobicContact CB-CD2 4.44Å; N348-Y350 HydrophobicContact CB-CE2 3.61Å; N348-I375 PolarHBondContact O-N 2.91Å | ||
| 349 | T | 90.6 | Very high | 88.9 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.9 | 179.2 | -61.4 | 0 | 0 | 0 | 0 | 108.4 | K322 E372 A373 | K322-T349 HydrophobicContact CB-CG2 4.27Å; K322-T349 VanDerWaalsContact CB-O 3.27Å; K322-T349 WeakPolarHBondContact CB-O 3.36Å; K322-T349 HydrophobicContact CD-CG2 3.89Å; K322-T349 PolarHBondContact N-O 2.82Å; T349-E372 HydrophobicContact CG2-CB 3.51Å; T349-E372 HydrophobicContact CG2-CG 4.35Å; T349-E372 WeakPolarHBondContact CG2-OE2 3.16Å; T349-A373 CarbonylContact C-O 3.5Å; T349-A373 VanDerWaalsContact CA-O 3.26Å; T349-A373 WeakPolarHBondContact CA-O 3.37Å |
| 350 | Y | 92.3 | Very high | 89.3 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.5 | -173.9 | -65.6 | -87.8 | 0 | 0 | 0 | 112.4 | K319 A320 D321 L344 I345 N348 E372 A373 I375 | K319-Y350 HydrophobicContact CD-CD1 4.39Å; K319-Y350 HydrophobicContact CD-CE1 4.43Å; A320-Y350 CarbonylContact O-C 3.58Å; A320-Y350 VanDerWaalsContact O-CA 3.29Å; A320-Y350 WeakPolarHBondContact O-CA 3.38Å; D321-Y350 HydrophobicContact CB-CD1 4.18Å; D321-Y350 HydrophobicContact CB-CE1 3.86Å; L344-Y350 HydrophobicContact CB-CD2 4.25Å; L344-Y350 HydrophobicContact CB-CE2 3.78Å; L344-Y350 HydrophobicContact CD1-CD2 4.24Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CD2 4.15Å; L344-Y350 HydrophobicContact CD2-CE1 4.09Å; L344-Y350 HydrophobicContact CD2-CE2 4.06Å; L344-Y350 HydrophobicContact CD2-CG 4.23Å; L344-Y350 HydrophobicContact CG-CD2 4.46Å; L344-Y350 HydrophobicContact CG-CE2 4.36Å; I345-Y350 WeakPolarHBondContact CB-OH 3.18Å; I345-Y350 PolarHBondContact N-OH 2.75Å; I345-Y350 VanDerWaalsContact N-OH 3.11Å; N348-Y350 HydrophobicContact CB-CD2 4.44Å; N348-Y350 HydrophobicContact CB-CE2 3.61Å; Y350-E372 CarbonylContact O-C 3.55Å; Y350-E372 WeakPolarHBondContact O-CA 3.33Å; Y350-A373 PolarHBondContact N-O 2.98Å; Y350-A373 PolarHBondContact O-N 2.83Å; Y350-I375 HydrophobicContact CD2-CG1 4Å; Y350-I375 HydrophobicContact CE2-CG1 4Å |
| 351 | K | 96.2 | Very high | 89.7 | Confident | 85 Ų | 85 | 37.8 Ų | 37.8 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 151.3 | 161.8 | -72.5 | -176.8 | -177.3 | 173 | 0 | 109.7 | K319 A320 W327 E372 | K319-K351 CarbonylContact C-O 3.59Å; K319-K351 WeakPolarHBondContact CA-O 3.37Å; A320-K351 PolarHBondContact N-O 2.97Å; A320-K351 PolarHBondContact O-N 2.89Å; W327-K351 HydrophobicContact CH2-CB 3.88Å; K351-E372 HydrophobicContact CD-CG 4.41Å; K351-E372 VanDerWaalsContact CE-CG 3.48Å; K351-E372 WeakPolarHBondContact CE-OE1 3.35Å; K351-E372 HydrophobicContact CG-CG 3.91Å; K351-E372 IonicContact NZ-OE1 3.69Å; K351-E372 PolarHBondContact NZ-OE1 2.86Å; K351-E372 VanDerWaalsContact NZ-OE1 3.15Å |
| 352 | F | 97 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.1 | 176.5 | -55.3 | -88.8 | 0 | 0 | 0 | 110.2 | I289 V297 L299 Q318 K319 I341 L344 V368 T369 A373 | I289-F352 HydrophobicContact CD1-CD2 4.38Å; I289-F352 HydrophobicContact CG1-CD2 4.37Å; V297-F352 HydrophobicContact CB-CE2 4.14Å; V297-F352 HydrophobicContact CB-CZ 3.92Å; V297-F352 HydrophobicContact CG1-CD2 4.41Å; V297-F352 HydrophobicContact CG1-CE2 3.7Å; V297-F352 HydrophobicContact CG1-CZ 3.97Å; V297-F352 HydrophobicContact CG2-CE2 4.16Å; V297-F352 HydrophobicContact CG2-CZ 4Å; L299-F352 HydrophobicContact CD1-CB 3.69Å; L299-F352 HydrophobicContact CD1-CD1 3.73Å; L299-F352 HydrophobicContact CD1-CD2 4.31Å; L299-F352 HydrophobicContact CD1-CE1 4.44Å; L299-F352 HydrophobicContact CD1-CG 3.64Å; L299-F352 HydrophobicContact CD2-CB 4.14Å; L299-F352 HydrophobicContact CD2-CD2 3.81Å; L299-F352 HydrophobicContact CD2-CE2 4.41Å; L299-F352 HydrophobicContact CD2-CG 3.96Å; L299-F352 HydrophobicContact CG-CG 4.36Å; Q318-F352 WeakPolarHBondContact O-CA 3.07Å; K319-F352 HydrophobicContact CB-CD1 3.77Å; K319-F352 HydrophobicContact CB-CE1 3.72Å; I341-F352 HydrophobicContact CB-CE1 4.03Å; I341-F352 HydrophobicContact CG1-CD1 4.27Å; I341-F352 HydrophobicContact CG1-CE1 4.02Å; I341-F352 HydrophobicContact CG2-CE1 3.88Å; L344-F352 HydrophobicContact CD1-CZ 4.03Å; F352-V368 WeakPolarHBondContact O-CA 3.33Å; F352-T369 HydrophobicContact CB-CG2 3.86Å; F352-T369 HydrophobicContact CD2-CG2 4.37Å; F352-T369 PolarHBondContact N-OG1 3.33Å; F352-T369 PolarHBondContact O-N 3.39Å; F352-T369 PolarHBondContact O-OG1 3.35Å; F352-A373 HydrophobicContact CE2-CB 3.9Å |
| 353 | R | 97.3 | Very high | 90.8 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 144.2 | 170.6 | 75.1 | -176.5 | 177.8 | 177.8 | -0.1 | 110 | Q318 W327 F355 A366 A367 V368 | Q318-R353 HydrophobicContact CB-CG 4Å; Q318-R353 PolarHBondContact N-O 2.91Å; Q318-R353 PolarHBondContact O-N 2.83Å; W327-R353 HydrophobicContact CD2-CG 4.18Å; W327-R353 HydrophobicContact CE3-CB 4.35Å; W327-R353 HydrophobicContact CE3-CG 3.61Å; W327-R353 VanDerWaalsContact CG-CZ 3.46Å; W327-R353 HydrophobicContact CH2-CB 3.78Å; W327-R353 HydrophobicContact CH2-CG 3.92Å; W327-R353 HydrophobicContact CZ2-CG 4.46Å; W327-R353 HydrophobicContact CZ3-CB 3.71Å; W327-R353 HydrophobicContact CZ3-CG 3.48Å; W327-R353 VanDerWaalsContact CZ3-CG 3.48Å; R353-F355 HydrophobicContact CG-CE2 3.85Å; R353-F355 HydrophobicContact CG-CZ 4.49Å; R353-A366 HydrophobicContact CB-CB 3.74Å; R353-A366 HydrophobicContact CG-CB 3.89Å; R353-A367 CarbonylContact C-O 3.53Å; R353-A367 WeakPolarHBondContact CA-O 3.22Å; R353-V368 HydrophobicContact CB-CB 4.43Å; R353-V368 HydrophobicContact CB-CG2 3.89Å |
| 354 | V | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.6 | -178 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | P284 V287 W301 Y315 T316 I317 A366 A367 | P284-V354 WeakPolarHBondContact CD-O 3.16Å; P284-V354 HydrophobicContact CG-CB 3.97Å; P284-V354 HydrophobicContact CG-CG1 3.74Å; P284-V354 WeakPolarHBondContact CG-O 3.22Å; V287-V354 HydrophobicContact CG1-CG2 3.79Å; V287-V354 HydrophobicContact CG2-CB 3.8Å; V287-V354 HydrophobicContact CG2-CG2 3.84Å; W301-V354 HydrophobicContact CD2-CG1 4.11Å; W301-V354 HydrophobicContact CD2-CG2 4.32Å; W301-V354 HydrophobicContact CE3-CG2 4.19Å; W301-V354 HydrophobicContact CG-CG1 4.24Å; W301-V354 HydrophobicContact CZ2-CG1 4.42Å; Y315-V354 HydrophobicContact CD1-CG1 4.09Å; Y315-V354 HydrophobicContact CG-CG1 4.36Å; T316-V354 CarbonylContact O-C 3.54Å; T316-V354 WeakPolarHBondContact O-CA 3.23Å; I317-V354 HydrophobicContact CG1-CG1 4.06Å; I317-V354 HydrophobicContact CG1-CG2 3.91Å; I317-V354 HydrophobicContact CG2-CG2 4.3Å; V354-A366 WeakPolarHBondContact O-CA 2.94Å; V354-A366 WeakPolarHBondContact O-CB 3.4Å; V354-A367 PolarHBondContact N-O 2.85Å; V354-A367 PolarHBondContact O-N 2.87Å |
| 355 | F | 98.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 147.1 | 172.8 | -61.9 | -98.1 | 0 | 0 | 0 | 109.2 | Y315 T316 Q318 R353 M362 S363 A366 | Y315-F355 WeakPolarHBondContact CA-O 3.34Å; Y315-F355 WeakPolarHBondContact CB-O 3.09Å; Y315-F355 WeakPolarHBondContact CD1-O 3.34Å; T316-F355 HydrophobicContact CG2-CD2 4.36Å; T316-F355 PolarHBondContact N-O 2.83Å; T316-F355 PolarHBondContact O-N 2.83Å; Q318-F355 HydrophobicContact CG-CE2 4.15Å; R353-F355 HydrophobicContact CG-CE2 3.85Å; R353-F355 HydrophobicContact CG-CZ 4.49Å; F355-M362 HydrophobicContact CB-CG 3.45Å; F355-M362 VanDerWaalsContact CB-CG 3.45Å; F355-M362 HydrophobicContact CB-SD 3.64Å; F355-M362 HydrophobicContact CD1-CE 4.05Å; F355-M362 HydrophobicContact CD1-CG 4.01Å; F355-M362 HydrophobicContact CD1-SD 3.92Å; F355-M362 HydrophobicContact CD2-SD 4.09Å; F355-M362 HydrophobicContact CE1-CE 4.2Å; F355-M362 HydrophobicContact CG-CE 4.33Å; F355-M362 HydrophobicContact CG-CG 3.93Å; F355-M362 HydrophobicContact CG-SD 3.64Å; F355-S363 WeakPolarHBondContact CD1-O 3.45Å; F355-A366 HydrophobicContact CD1-CB 3.78Å; F355-A366 HydrophobicContact CD2-CB 3.92Å; F355-A366 HydrophobicContact CE1-CB 3.61Å; F355-A366 HydrophobicContact CE2-CB 3.73Å; F355-A366 HydrophobicContact CG-CB 3.95Å; F355-A366 HydrophobicContact CZ-CB 3.58Å |
| 356 | S | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 150.3 | 171.1 | -50 | 0 | 0 | 0 | 0 | 109.4 | P281 G282 P284 P304 M362 S363 | P281-S356 VanDerWaalsContact CG-O 3.32Å; P281-S356 WeakPolarHBondContact CG-O 3.33Å; G282-S356 VanDerWaalsContact O-CB 3.26Å; G282-S356 WeakPolarHBondContact O-CB 3.27Å; G282-S356 PolarHBondContact O-OG 2.75Å; P284-S356 VanDerWaalsContact CD-OG 3.22Å; P284-S356 WeakPolarHBondContact CD-OG 3.38Å; P284-S356 WeakPolarHBondContact CG-OG 3.42Å; P304-S356 WeakPolarHBondContact CD-OG 3.28Å; P304-S356 WeakPolarHBondContact CG-OG 3.37Å; S356-M362 CarbonylContact O-C 3.59Å; S356-M362 WeakPolarHBondContact O-CA 3.45Å; S356-S363 PolarHBondContact N-OG 3.18Å; S356-S363 VanDerWaalsContact N-OG 3.08Å; S356-S363 PolarHBondContact O-N 3.05Å |
| 357 | E | 95.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.5 | 178.5 | -62.3 | 167.8 | -146.5 | 0 | 0 | 110.8 | I312 T313 G314 T316 H333 G361 M362 | I312-E357 CarbonylContact C-O 3.53Å; I312-E357 VanDerWaalsContact CA-O 3.31Å; I312-E357 WeakPolarHBondContact CA-O 3.15Å; I312-E357 WeakPolarHBondContact CG2-O 3.47Å; T313-E357 PolarHBondContact N-O 3.34Å; T313-E357 PolarHBondContact OG1-O 3.13Å; G314-E357 PolarHBondContact N-O 3.47Å; G314-E357 WeakPolarHBondContact O-CB 3.15Å; G314-E357 PolarHBondContact O-N 2.92Å; T316-E357 WeakPolarHBondContact CB-OE1 3.44Å; T316-E357 PolarHBondContact N-OE1 2.83Å; T316-E357 VanDerWaalsContact N-OE1 3.09Å; T316-E357 PolarHBondContact OG1-OE1 2.87Å; H333-E357 IonicContact CE1-OE2 2.74Å; H333-E357 IonicContact CG-OE2 3.96Å; H333-E357 PolarHBondContact N-OE1 2.84Å; H333-E357 IonicContact ND1-OE1 3.15Å; H333-E357 IonicContact ND1-OE2 3.57Å; H333-E357 PolarHBondContact ND1-OE2 2.9Å; E357-G361 WeakPolarHBondContact CA-O 3.39Å; E357-M362 HydrophobicContact CG-CB 4.21Å; E357-M362 HydrophobicContact CG-CG 4.24Å |
| 358 | N | 96.1 | Very high | 95 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | -174.3 | 168.9 | 70.6 | 16.1 | 0 | 0 | 0 | 110.2 | E279 P281 S307 T310 E311 I312 T313 V360 G361 | E279-N358 PolarHBondContact O-ND2 2.92Å; P281-N358 WeakPolarHBondContact CD-ND2 3.3Å; P281-N358 HydrophobicContact CG-CB 4.26Å; S307-N358 PolarHBondContact O-ND2 2.91Å; T310-N358 HydrophobicContact CG2-CB 3.55Å; T310-N358 WeakPolarHBondContact CG2-ND2 3.14Å; E311-N358 WeakPolarHBondContact O-CB 3.4Å; I312-N358 HydrophobicContact CD1-CB 4.43Å; T313-N358 WeakPolarHBondContact OG1-CA 3.4Å; N358-V360 PolarHBondContact O-N 3.03Å; N358-V360 WeakPolarHBondContact OD1-CA 3.44Å; N358-V360 VanDerWaalsContact OD1-CB 3.22Å; N358-V360 WeakPolarHBondContact OD1-CB 3.29Å; N358-V360 PolarHBondContact OD1-N 3.1Å; N358-G361 PolarHBondContact N-O 2.9Å; N358-G361 PolarHBondContact O-N 2.79Å; N358-G361 VanDerWaalsContact O-N 3.12Å; N358-G361 PolarHBondContact OD1-N 3.41Å; N358-G361 VanDerWaalsContact OD1-N 3.08Å; N358-G361 PolarHBondContact OD1-O 2.88Å |
| 359 | K | 92.5 | Very high | 95.5 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 40% | 0.404 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -59.9 | -17.9 | 179 | 74 | -178.5 | 179.4 | -173.5 | 0 | 115.2 | V199 T310 | V199-K359 VanDerWaalsContact CG1-NZ 3.26Å; V199-K359 VanDerWaalsContact CG2-NZ 3.34Å; T310-K359 HydrophobicContact CG2-CG 4.12Å; T310-K359 WeakPolarHBondContact OG1-CD 3.37Å; T310-K359 VanDerWaalsContact OG1-CE 3.25Å; T310-K359 WeakPolarHBondContact OG1-CE 3.45Å |
| 360 | V | 93.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -83.9 | -46.3 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | Q201 V278 L280 N358 | Q201-V360 HydrophobicContact CG-CG1 4.24Å; V278-V360 HydrophobicContact CB-CG2 3.77Å; V278-V360 HydrophobicContact CG2-CG2 3.33Å; L280-V360 HydrophobicContact CD2-CB 4.15Å; L280-V360 HydrophobicContact CD2-CG1 3.75Å; L280-V360 HydrophobicContact CG-CG1 4.35Å; N358-V360 PolarHBondContact O-N 3.03Å; N358-V360 WeakPolarHBondContact OD1-CA 3.44Å; N358-V360 VanDerWaalsContact OD1-CB 3.22Å; N358-V360 WeakPolarHBondContact OD1-CB 3.29Å; N358-V360 PolarHBondContact OD1-N 3.1Å |
| 361 | G | 92.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | trans | 160.5 | -160 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P281 E357 N358 | P281-G361 WeakPolarHBondContact CD-O 3.5Å; E357-G361 WeakPolarHBondContact CA-O 3.39Å; N358-G361 PolarHBondContact N-O 2.9Å; N358-G361 PolarHBondContact O-N 2.79Å; N358-G361 VanDerWaalsContact O-N 3.12Å; N358-G361 PolarHBondContact OD1-N 3.41Å; N358-G361 VanDerWaalsContact OD1-N 3.08Å; N358-G361 PolarHBondContact OD1-O 2.88Å | ||
| 362 | M | 95.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -83.7 | 144.9 | -179.3 | -172.1 | 178.5 | 68.1 | 0 | 0 | 111.4 | T316 F355 S356 E357 | T316-M362 HydrophobicContact CG2-SD 4.17Å; F355-M362 HydrophobicContact CB-CG 3.45Å; F355-M362 VanDerWaalsContact CB-CG 3.45Å; F355-M362 HydrophobicContact CB-SD 3.64Å; F355-M362 HydrophobicContact CD1-CE 4.05Å; F355-M362 HydrophobicContact CD1-CG 4.01Å; F355-M362 HydrophobicContact CD1-SD 3.92Å; F355-M362 HydrophobicContact CD2-SD 4.09Å; F355-M362 HydrophobicContact CE1-CE 4.2Å; F355-M362 HydrophobicContact CG-CE 4.33Å; F355-M362 HydrophobicContact CG-CG 3.93Å; F355-M362 HydrophobicContact CG-SD 3.64Å; S356-M362 CarbonylContact O-C 3.59Å; S356-M362 WeakPolarHBondContact O-CA 3.45Å; E357-M362 HydrophobicContact CG-CB 4.21Å; E357-M362 HydrophobicContact CG-CG 4.24Å |
| 363 | S | 97.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | trans | -56.6 | 141.2 | 176.2 | 60.2 | 0 | 0 | 0 | 0 | 112 | P281 F355 S356 S365 | P281-S363 VanDerWaalsContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CB 3.5Å; F355-S363 WeakPolarHBondContact CD1-O 3.45Å; S356-S363 PolarHBondContact N-OG 3.18Å; S356-S363 VanDerWaalsContact N-OG 3.08Å; S356-S363 PolarHBondContact O-N 3.05Å; S363-S365 WeakPolarHBondContact CB-O 3.25Å; S363-S365 PolarHBondContact O-N 2.87Å; S363-S365 PolarHBondContact OG-O 2.9Å | ||
| 364 | E | 94.2 | Very high | 94.6 | Very high | 179 Ų | 179 | 55.5 Ų | 55.5 | 84% | 0.836 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -64.4 | -31.9 | 179 | -64.4 | -172.6 | 151.6 | 0 | 0 | 112.6 | L280 | L280-E364 HydrophobicContact CD1-CG 3.72Š|
| 365 | S | 95.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -113.2 | 155.1 | 176.7 | 56.2 | 0 | 0 | 0 | 0 | 111 | P283 S363 | P283-S365 WeakPolarHBondContact CD-OG 3.38Å; P283-S365 WeakPolarHBondContact CG-OG 3.17Å; S363-S365 WeakPolarHBondContact CB-O 3.25Å; S363-S365 PolarHBondContact O-N 2.87Å; S363-S365 PolarHBondContact OG-O 2.9Å |
| 366 | A | 95.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 20% | 0.198 | 31% | 0.307 | C | S | . | . | trans | -107.3 | 152 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R353 V354 F355 | R353-A366 HydrophobicContact CB-CB 3.74Å; R353-A366 HydrophobicContact CG-CB 3.89Å; V354-A366 WeakPolarHBondContact O-CA 2.94Å; V354-A366 WeakPolarHBondContact O-CB 3.4Å; F355-A366 HydrophobicContact CD1-CB 3.78Å; F355-A366 HydrophobicContact CD2-CB 3.92Å; F355-A366 HydrophobicContact CE1-CB 3.61Å; F355-A366 HydrophobicContact CE2-CB 3.73Å; F355-A366 HydrophobicContact CG-CB 3.95Å; F355-A366 HydrophobicContact CZ-CB 3.58Å | ||
| 367 | A | 96.9 | Very high | 91 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P283 P284 V287 R353 V354 | P283-A367 HydrophobicContact CB-CB 4.32Å; P284-A367 HydrophobicContact CB-CB 4Å; P284-A367 HydrophobicContact CG-CB 4.27Å; P284-A367 WeakPolarHBondContact O-CB 3.42Å; V287-A367 HydrophobicContact CB-CB 4.38Å; V287-A367 HydrophobicContact CG2-CB 3.42Å; V287-A367 VanDerWaalsContact CG2-CB 3.42Å; R353-A367 CarbonylContact C-O 3.53Å; R353-A367 WeakPolarHBondContact CA-O 3.22Å; V354-A367 PolarHBondContact N-O 2.85Å; V354-A367 PolarHBondContact O-N 2.87Å |
| 368 | V | 96.8 | Very high | 89 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143 | -176.6 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | W327 F352 R353 K370 | W327-V368 HydrophobicContact CH2-CG1 4.14Å; F352-V368 WeakPolarHBondContact O-CA 3.33Å; R353-V368 HydrophobicContact CB-CB 4.43Å; R353-V368 HydrophobicContact CB-CG2 3.89Å; V368-K370 PolarHBondContact O-N 3.06Å |
| 369 | T | 95.8 | Very high | 86.5 | Confident | 8 Ų | 8 | 77.4 Ų | 77.4 | 5% | 0.049 | 41% | 0.414 | C | S | . | . | trans | -59.6 | 133.2 | 172.3 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | V287 I289 L299 F352 E371 | V287-T369 HydrophobicContact CG1-CG2 3.71Å; I289-T369 HydrophobicContact CD1-CG2 4.29Å; I289-T369 HydrophobicContact CG1-CG2 4.01Å; L299-T369 HydrophobicContact CD2-CG2 4.14Å; F352-T369 HydrophobicContact CB-CG2 3.86Å; F352-T369 HydrophobicContact CD2-CG2 4.37Å; F352-T369 PolarHBondContact N-OG1 3.33Å; F352-T369 PolarHBondContact O-N 3.39Å; F352-T369 PolarHBondContact O-OG1 3.35Å; T369-E371 VanDerWaalsContact C-N 3.31Å; T369-E371 WeakPolarHBondContact CB-O 3.03Å; T369-E371 PolarHBondContact OG1-O 3.25Å | ||
| 370 | K | 92.8 | Very high | 84.1 | Confident | 209 Ų | 209 | 80.5 Ų | 80.5 | 91% | 0.909 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -69.8 | -34.1 | 174.3 | -66.2 | -176.4 | 179.4 | -177.6 | 0 | 111.9 | V368 | V368-K370 PolarHBondContact O-N 3.06Š|
| 371 | E | 92.3 | Very high | 81.7 | Confident | 138 Ų | 138 | 86.6 Ų | 86.6 | 65% | 0.645 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -99.1 | 158.8 | 179.5 | -64.2 | 174.6 | -165.7 | 0 | 0 | 110.5 | I289 T369 | I289-E371 HydrophobicContact CD1-CB 4.45Å; I289-E371 WeakPolarHBondContact CD1-O 3.32Å; T369-E371 VanDerWaalsContact C-N 3.31Å; T369-E371 WeakPolarHBondContact CB-O 3.03Å; T369-E371 PolarHBondContact OG1-O 3.25Å |
| 372 | E | 93.2 | Very high | 79.3 | Confident | 67 Ų | 67 | 93 Ų | 93 | 31% | 0.313 | 48% | 0.483 | S | S | . | . | trans | -107.1 | 134.6 | 174.9 | -56.5 | 179.3 | 165.1 | 0 | 0 | 109.1 | K322 T349 Y350 K351 K374 | K322-E372 WeakPolarHBondContact CD-OE2 3.34Å; K322-E372 WeakPolarHBondContact CE-OE2 3.3Å; K322-E372 IonicContact NZ-OE1 2.67Å; K322-E372 IonicContact NZ-OE2 3.5Å; K322-E372 PolarHBondContact NZ-OE2 2.8Å; T349-E372 HydrophobicContact CG2-CB 3.51Å; T349-E372 HydrophobicContact CG2-CG 4.35Å; T349-E372 WeakPolarHBondContact CG2-OE2 3.16Å; Y350-E372 CarbonylContact O-C 3.55Å; Y350-E372 WeakPolarHBondContact O-CA 3.33Å; K351-E372 HydrophobicContact CD-CG 4.41Å; K351-E372 VanDerWaalsContact CE-CG 3.48Å; K351-E372 WeakPolarHBondContact CE-OE1 3.35Å; K351-E372 HydrophobicContact CG-CG 3.91Å; K351-E372 IonicContact NZ-OE1 3.69Å; K351-E372 PolarHBondContact NZ-OE1 2.86Å; K351-E372 VanDerWaalsContact NZ-OE1 3.15Å; E372-K374 PolarHBondContact O-N 3.48Å | ||
| 373 | A | 88.3 | Confident | 76.7 | Confident | 3 Ų | 3 | 98.5 Ų | 98.5 | 3% | 0.025 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | I289 T292 V297 T349 Y350 F352 | I289-A373 HydrophobicContact CD1-CB 3.86Å; T292-A373 HydrophobicContact CG2-CB 4.03Å; V297-A373 HydrophobicContact CG1-CB 4.2Å; V297-A373 HydrophobicContact CG2-CB 3.52Å; T349-A373 CarbonylContact C-O 3.5Å; T349-A373 VanDerWaalsContact CA-O 3.26Å; T349-A373 WeakPolarHBondContact CA-O 3.37Å; Y350-A373 PolarHBondContact N-O 2.98Å; Y350-A373 PolarHBondContact O-N 2.83Å; F352-A373 HydrophobicContact CE2-CB 3.9Å |
| 374 | K | 87.8 | Confident | 74.2 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.1 | 173.1 | -173.7 | 178.1 | -177.2 | -177.8 | 0 | 110.1 | E372 L376 | E372-K374 PolarHBondContact O-N 3.48Å; K374-L376 HydrophobicContact CD-CD2 4.01Å; K374-L376 HydrophobicContact CG-CD2 4.13Å; K374-L376 PolarHBondContact O-N 2.71Å |
| 375 | I | 83.1 | Confident | 71.8 | Confident | 4 Ų | 4 | 100.7 Ų | 100.7 | 2% | 0.021 | 53% | 0.525 | C | S | . | . | trans | -81.6 | 105.8 | 178.8 | -49.1 | -54.2 | 0 | 0 | 0 | 108.2 | G294 V297 L344 M346 G347 N348 Y350 | G294-I375 WeakPolarHBondContact O-CG2 3.11Å; V297-I375 HydrophobicContact CG2-CD1 3.81Å; L344-I375 HydrophobicContact CB-CD1 4.18Å; L344-I375 HydrophobicContact CB-CG1 3.99Å; L344-I375 HydrophobicContact CD1-CD1 3.85Å; L344-I375 HydrophobicContact CD1-CG1 4.43Å; M346-I375 HydrophobicContact CG-CG2 4.09Å; G347-I375 VanDerWaalsContact CA-O 3.24Å; G347-I375 WeakPolarHBondContact CA-O 3.19Å; G347-I375 PolarHBondContact N-O 2.64Å; N348-I375 PolarHBondContact O-N 2.91Å; Y350-I375 HydrophobicContact CD2-CG1 4Å; Y350-I375 HydrophobicContact CE2-CG1 4Å | ||
| 376 | L | 75.8 | Confident | 69.2 | Low | 113 Ų | 113 | 107.2 Ų | 107.2 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | trans | -77.5 | 149 | -174.4 | -62.5 | 176.8 | 0 | 0 | 0 | 112.1 | K374 | K374-L376 HydrophobicContact CD-CD2 4.01Å; K374-L376 HydrophobicContact CG-CD2 4.13Å; K374-L376 PolarHBondContact O-N 2.71Å | ||
| 377 | K | 60.5 | Low | 66.5 | Low | 175 Ų | 175 | 113.1 Ų | 113.1 | 76% | 0.761 | 57% | 0.567 | S | S | * | * | trans | -92.4 | -8.1 | -176.4 | -160.5 | 171.1 | -179.3 | 177.9 | 0 | 113.6 | ||||
| 378 | T | 52.8 | Low | 63.8 | Low | 118 Ų | 118 | 121.5 Ų | 121.5 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | trans | -110.6 | 106.7 | -164.4 | 46.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 379 | G | 44.2 | Very low | 61 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 85% | 0.845 | 62% | 0.618 | S | S | * | * | 56.2 | 62.4 | 117.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 380 | I | 41.9 | Very low | 58.7 | Low | 158 Ų | 158 | 131.6 Ų | 131.6 | 81% | 0.81 | 64% | 0.642 | S | S | * | * | trans | -120.7 | 119.7 | 151 | -61.4 | 177.4 | 0 | 0 | 0 | 106.4 | Y382 | I380-Y382 PolarHBondContact O-N 3.46Š| ||
| 381 | D | 43.3 | Very low | 56.7 | Low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 62% | 0.624 | S | S | * | * | trans | -53.4 | 103.9 | 170.9 | -107.3 | -28.2 | 0 | 0 | 0 | 108.4 | K383 | D381-K383 PolarHBondContact O-N 3.23Å; D381-K383 VanDerWaalsContact O-N 3.1Å | ||
| 382 | Y | 41.2 | Very low | 54.9 | Low | 158 Ų | 158 | 127 Ų | 127 | 62% | 0.62 | 63% | 0.625 | S | S | * | * | trans | -63.9 | 109.4 | 167.7 | 179.5 | -109.9 | 0 | 0 | 0 | 106.5 | I380 P384 | I380-Y382 PolarHBondContact O-N 3.46Å; Y382-P384 HydrophobicContact CD1-CB 3.98Å; Y382-P384 HydrophobicContact CD1-CG 3.61Å; Y382-P384 HydrophobicContact CE1-CB 3.38Å; Y382-P384 HydrophobicContact CE1-CG 3.52Å; Y382-P384 VanDerWaalsContact O-CD 3.23Å; Y382-P384 WeakPolarHBondContact O-CD 3.36Å | ||
| 383 | K | 41.5 | Very low | 54 | Low | 196 Ų | 196 | 127.5 Ų | 127.5 | 85% | 0.852 | 63% | 0.63 | S | S | * | * | trans | -82.2 | 103.8 | 156.2 | -81.6 | -171.7 | 176.7 | -179.3 | 0 | 106.1 | D381 L385 | D381-K383 PolarHBondContact O-N 3.23Å; D381-K383 VanDerWaalsContact O-N 3.1Å; K383-L385 PolarHBondContact O-N 2.9Å | ||
| 384 | P | 45.5 | Very low | 53.6 | Low | 68 Ų | 68 | 131.4 Ų | 131.4 | 44% | 0.442 | 65% | 0.648 | S | S | . | * | trans | -56.9 | 141.4 | 174.8 | -12 | 26 | 0 | 0 | 0 | 108.5 | Y382 E386 | Y382-P384 HydrophobicContact CD1-CB 3.98Å; Y382-P384 HydrophobicContact CD1-CG 3.61Å; Y382-P384 HydrophobicContact CE1-CB 3.38Å; Y382-P384 HydrophobicContact CE1-CG 3.52Å; Y382-P384 VanDerWaalsContact O-CD 3.23Å; Y382-P384 WeakPolarHBondContact O-CD 3.36Å; P384-E386 PolarHBondContact O-N 3.42Å | ||
| 385 | L | 42.6 | Very low | 53.7 | Low | 160 Ų | 160 | 127.6 Ų | 127.6 | 84% | 0.838 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -52.7 | 122.9 | 138.3 | -78.5 | 162.9 | 0 | 0 | 0 | 104.4 | K383 Y387 | K383-L385 PolarHBondContact O-N 2.9Å; L385-Y387 VanDerWaalsContact C-N 3.29Å; L385-Y387 WeakPolarHBondContact O-CA 3.37Å; L385-Y387 PolarHBondContact O-N 2.87Å |
| 386 | E | 41.5 | Very low | 54.2 | Low | 198 Ų | 198 | 127.7 Ų | 127.7 | 93% | 0.925 | 64% | 0.641 | S | S | * | * | trans | -35.2 | 96.7 | -174.2 | -83.3 | -173.9 | 165.5 | 0 | 0 | 110.9 | P384 K388 | P384-E386 PolarHBondContact O-N 3.42Å; E386-K388 PolarHBondContact O-N 3.05Å | ||
| 387 | Y | 39 | Very low | 55 | Low | 149 Ų | 149 | 129.6 Ų | 129.6 | 58% | 0.584 | 64% | 0.644 | S | S | * | * | trans | -87.9 | 102.4 | -178 | -168 | -99.6 | 0 | 0 | 0 | 103 | L385 E389 | L385-Y387 VanDerWaalsContact C-N 3.29Å; L385-Y387 WeakPolarHBondContact O-CA 3.37Å; L385-Y387 PolarHBondContact O-N 2.87Å; Y387-E389 HydrophobicContact CD1-CG 4.37Å; Y387-E389 HydrophobicContact CE1-CB 4.5Å; Y387-E389 HydrophobicContact CE1-CG 4.37Å; Y387-E389 PolarHBondContact O-N 3.38Å | ||
| 388 | K | 39.7 | Very low | 56.5 | Low | 189 Ų | 189 | 122.4 Ų | 122.4 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | trans | -64.8 | 119 | 148.6 | -72.4 | -174.7 | 177.8 | -178.8 | 0 | 104.4 | E386 H390 | E386-K388 PolarHBondContact O-N 3.05Å; K388-H390 PolarHBondContact O-N 2.96Å | ||
| 389 | E | 38 | Very low | 58 | Low | 169 Ų | 169 | 120.6 Ų | 120.6 | 79% | 0.79 | 60% | 0.602 | S | S | * | * | trans | -41.7 | 113.2 | 162.5 | -76.7 | 177.9 | 153.1 | 0 | 0 | 107 | Y387 D391 | Y387-E389 HydrophobicContact CD1-CG 4.37Å; Y387-E389 HydrophobicContact CE1-CB 4.5Å; Y387-E389 HydrophobicContact CE1-CG 4.37Å; Y387-E389 PolarHBondContact O-N 3.38Å; E389-D391 PolarHBondContact O-N 2.9Å | ||
| 390 | H | 47.9 | Very low | 60.1 | Low | 121 Ų | 121 | 120 Ų | 120 | 56% | 0.56 | 58% | 0.582 | S | S | * | * | trans | -73.8 | 90.6 | 169 | -131.1 | -61.8 | 0 | 0 | 0 | 104 | K388 F392 | K388-H390 PolarHBondContact O-N 2.96Å; H390-F392 VanDerWaalsContact C-N 3.34Å; H390-F392 VanDerWaalsContact O-CD2 3.24Å; H390-F392 WeakPolarHBondContact O-CD2 3.35Å; H390-F392 PolarHBondContact O-N 2.73Å | ||
| 391 | D | 50.3 | Low | 62.4 | Low | 99 Ų | 99 | 116.3 Ų | 116.3 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | trans | -60.5 | 101.8 | 174.9 | -166.4 | -0.5 | 0 | 0 | 0 | 106.8 | E389 N393 E394 | E389-D391 PolarHBondContact O-N 2.9Å; D391-N393 PolarHBondContact O-N 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.47Å; D391-N393 PolarHBondContact OD1-N 3.08Å; D391-N393 VanDerWaalsContact OD1-N 3.11Å; D391-E394 WeakPolarHBondContact O-CG 3.42Å | ||
| 392 | F | 55.7 | Low | 64.7 | Low | 151 Ų | 151 | 109.3 Ų | 109.3 | 66% | 0.662 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -70.9 | 1 | 174.7 | -68.7 | -80.5 | 0 | 0 | 0 | 111.1 | H390 E394 S422 | H390-F392 VanDerWaalsContact C-N 3.34Å; H390-F392 VanDerWaalsContact O-CD2 3.24Å; H390-F392 WeakPolarHBondContact O-CD2 3.35Å; H390-F392 PolarHBondContact O-N 2.73Å; F392-E394 VanDerWaalsContact C-N 3.33Å; F392-E394 PolarHBondContact O-N 3.33Å; F392-S422 WeakPolarHBondContact O-CB 3.48Å; F392-S422 PolarHBondContact O-OG 3.24Å |
| 393 | N | 72.4 | Confident | 67.1 | Low | 78 Ų | 78 | 106.2 Ų | 106.2 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | trans | -87.7 | 77.1 | 165.7 | -67.8 | -25.6 | 0 | 0 | 0 | 110 | D391 S422 H474 | D391-N393 PolarHBondContact O-N 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.47Å; D391-N393 PolarHBondContact OD1-N 3.08Å; D391-N393 VanDerWaalsContact OD1-N 3.11Å; N393-S422 CarbonylContact C-O 3.51Å; N393-S422 WeakPolarHBondContact CA-O 3.39Å; N393-H474 VanDerWaalsContact CB-CD2 3.5Å; N393-H474 WeakPolarHBondContact CB-CD2 3.39Å; N393-H474 VanDerWaalsContact CB-CE1 3.46Å; N393-H474 WeakPolarHBondContact CB-CE1 3.35Å; N393-H474 WeakPolarHBondContact CB-NE2 3.38Å; N393-H474 PolarHBondContact OD1-NE2 3.38Å | ||
| 394 | E | 80.3 | Confident | 69.7 | Low | 86 Ų | 86 | 102.5 Ų | 102.5 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.5 | 176.7 | -65.5 | -172.6 | 170.4 | 0 | 0 | 109.7 | D391 F392 G421 S422 N472 | D391-E394 WeakPolarHBondContact O-CG 3.42Å; F392-E394 VanDerWaalsContact C-N 3.33Å; F392-E394 PolarHBondContact O-N 3.33Å; E394-G421 WeakPolarHBondContact O-CA 3.45Å; E394-S422 PolarHBondContact N-O 2.91Å; E394-S422 VanDerWaalsContact N-O 3.07Å; E394-S422 PolarHBondContact O-N 2.82Å; E394-N472 PolarHBondContact O-ND2 2.88Å |
| 395 | A | 90.4 | Very high | 71.8 | Confident | 46 Ų | 46 | 103.9 Ų | 103.9 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 148.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | K397 H474 | A395-K397 PolarHBondContact O-N 2.88Å; A395-H474 HydrophobicContact CB-CB 4.45Å |
| 396 | P | 94.4 | Very high | 74.1 | Confident | 7 Ų | 7 | 98.8 Ų | 98.8 | 5% | 0.045 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 134.9 | -174.2 | -21.4 | 35.9 | 0 | 0 | 0 | 110.3 | V419 R420 P425 A470 N472 G475 A477 | P396-V419 HydrophobicContact CB-CG2 4.23Å; P396-R420 CarbonylContact C-O 3.53Å; P396-R420 VanDerWaalsContact CA-O 3.26Å; P396-R420 WeakPolarHBondContact CA-O 3.36Å; P396-P425 HydrophobicContact CB-CB 4.03Å; P396-P425 HydrophobicContact CB-CG 3.84Å; P396-P425 HydrophobicContact CG-CB 3.92Å; P396-P425 HydrophobicContact CG-CG 3.89Å; P396-A470 HydrophobicContact CB-CB 3.67Å; P396-A470 HydrophobicContact CG-CB 4.39Å; P396-A470 WeakPolarHBondContact CG-O 3.26Å; P396-N472 VanDerWaalsContact CD-OD1 3.31Å; P396-N472 WeakPolarHBondContact CD-OD1 3.11Å; P396-N472 HydrophobicContact CG-CB 4.22Å; P396-G475 VanDerWaalsContact CD-C 3.45Å; P396-G475 WeakPolarHBondContact CD-O 3.26Å; P396-A477 HydrophobicContact CB-CB 4.45Å; P396-A477 WeakPolarHBondContact O-CB 3.39Å |
| 397 | K | 92.8 | Very high | 76.4 | Confident | 152 Ų | 152 | 90 Ų | 90 | 66% | 0.661 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 124.8 | 177.2 | -174.3 | 176 | -179.6 | 177.9 | 0 | 109.9 | A395 T399 R420 | A395-K397 PolarHBondContact O-N 2.88Å; K397-T399 PolarHBondContact O-N 2.97Å; K397-R420 PolarHBondContact N-O 2.96Å; K397-R420 PolarHBondContact O-N 3.31Å |
| 398 | F | 91.6 | Very high | 78.8 | Confident | 24 Ų | 24 | 85.2 Ų | 85.2 | 11% | 0.105 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 123.2 | 173.7 | -70.6 | -83.2 | 0 | 0 | 0 | 110.2 | C417 S418 V419 C468 A470 A477 I479 | F398-C417 HydrophobicContact CD1-CB 4.11Å; F398-C417 HydrophobicContact CE1-CB 4.3Å; F398-S418 CarbonylContact C-O 3.48Å; F398-S418 VanDerWaalsContact CA-O 3.26Å; F398-S418 WeakPolarHBondContact CA-O 3.02Å; F398-V419 HydrophobicContact CD1-CB 3.68Å; F398-V419 HydrophobicContact CD1-CG2 4.08Å; F398-V419 HydrophobicContact CE1-CB 3.72Å; F398-V419 HydrophobicContact CE1-CG1 4.45Å; F398-V419 HydrophobicContact CE1-CG2 4.07Å; F398-V419 HydrophobicContact CG-CB 4.36Å; F398-V419 HydrophobicContact CG-CG2 4.35Å; F398-V419 HydrophobicContact CZ-CB 4.42Å; F398-V419 HydrophobicContact CZ-CG2 4.32Å; F398-C468 HydrophobicContact CE1-CB 4.21Å; F398-C468 WeakPolarHBondContact CE2-O 3.38Å; F398-C468 HydrophobicContact CZ-CB 4.01Å; F398-C468 VanDerWaalsContact CZ-O 3.29Å; F398-C468 WeakPolarHBondContact CZ-O 3.37Å; F398-A470 HydrophobicContact CE2-CB 4.1Å; F398-A470 HydrophobicContact CZ-CB 3.84Å; F398-A477 HydrophobicContact CD2-CB 3.92Å; F398-A477 HydrophobicContact CE2-CB 4Å; F398-I479 HydrophobicContact CB-CD1 3.95Å; F398-I479 HydrophobicContact CB-CG2 3.9Å; F398-I479 HydrophobicContact CD1-CD1 3.26Å; F398-I479 HydrophobicContact CD1-CG1 3.88Å; F398-I479 HydrophobicContact CD2-CB 4.23Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CD2-CG1 3.81Å; F398-I479 HydrophobicContact CD2-CG2 3.57Å; F398-I479 HydrophobicContact CE1-CD1 3.63Å; F398-I479 HydrophobicContact CE1-CG1 3.89Å; F398-I479 HydrophobicContact CE2-CB 4.48Å; F398-I479 HydrophobicContact CE2-CD1 4.29Å; F398-I479 HydrophobicContact CE2-CG1 3.81Å; F398-I479 HydrophobicContact CE2-CG2 4.25Å; F398-I479 HydrophobicContact CG-CB 4.44Å; F398-I479 HydrophobicContact CG-CD1 3.46Å; F398-I479 VanDerWaalsContact CG-CD1 3.46Å; F398-I479 HydrophobicContact CG-CG1 3.83Å; F398-I479 HydrophobicContact CG-CG2 3.81Å; F398-I479 HydrophobicContact CZ-CD1 4.13Å; F398-I479 HydrophobicContact CZ-CG1 3.86Å |
| 399 | T | 84.4 | Confident | 81.2 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 49% | 0.491 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -20 | 173.2 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | K397 S418 R420 | K397-T399 PolarHBondContact O-N 2.97Å; T399-S418 PolarHBondContact N-O 2.82Å; T399-S418 WeakPolarHBondContact OG1-CB 3.37Å; T399-S418 PolarHBondContact OG1-O 3.33Å; T399-R420 HydrophobicContact CG2-CB 4.33Å; T399-R420 HydrophobicContact CG2-CG 3.78Å |
| 400 | T | 86.5 | Confident | 83.4 | Confident | 71 Ų | 71 | 72.2 Ų | 72.2 | 44% | 0.436 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 121.9 | 173.6 | -50.2 | 0 | 0 | 0 | 0 | 108.2 | C417 S418 | T400-C417 VanDerWaalsContact O-CB 3.3Å; T400-C417 WeakPolarHBondContact O-CB 3.16Å; T400-S418 PolarHBondContact N-O 3.41Å; T400-S418 PolarHBondContact O-N 3.33Å |
| 401 | S | 91.2 | Very high | 85.1 | Confident | 80 Ų | 80 | 74.3 Ų | 74.3 | 56% | 0.559 | 41% | 0.407 | S | S | * | . | trans | -72.9 | 164.6 | 177.1 | -57 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 402 | L | 92.5 | Very high | 87 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 7% | 0.073 | 40% | 0.401 | C | S | . | . | trans | -77.4 | 145.8 | 166.6 | -65 | 172.2 | 0 | 0 | 0 | 109.1 | L415 C417 W429 C468 I479 C481 | L402-L415 HydrophobicContact CD2-CB 4.17Å; L402-C417 HydrophobicContact CD2-CB 3.78Å; L402-C417 HydrophobicContact CG-CB 4.26Å; L402-W429 HydrophobicContact CD1-CH2 4.35Å; L402-W429 HydrophobicContact CD1-CZ3 3.92Å; L402-W429 HydrophobicContact CD2-CH2 3.77Å; L402-W429 HydrophobicContact CD2-CZ3 4.1Å; L402-C468 HydrophobicContact CD1-CB 4.21Å; L402-I479 HydrophobicContact CD1-CD1 4.35Å; L402-I479 HydrophobicContact CD1-CG1 4.09Å; L402-I479 HydrophobicContact CG-CD1 3.74Å; L402-I479 HydrophobicContact CG-CG1 4.01Å; L402-C481 HydrophobicContact CB-CB 3.55Å | ||
| 403 | S | 90.9 | Very high | 88.7 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | trans | -108.2 | 138.7 | 174.6 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | C481 | S403-C481 WeakPolarHBondContact O-CB 3.23Å; S403-C481 PolarHBondContact O-SG 3.26Å | ||
| 404 | D | 95.6 | Very high | 89.7 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | trans | -58.5 | 141 | 170.2 | -70.5 | -4.4 | 0 | 0 | 0 | 109.8 | C481 K482 | D404-C481 VanDerWaalsContact OD1-CA 3.32Å; D404-C481 WeakPolarHBondContact OD1-CA 3.22Å; D404-C481 WeakPolarHBondContact OD1-CB 3.35Å; D404-K482 WeakPolarHBondContact CA-O 3.13Å; D404-K482 PolarHBondContact OD1-N 3.27Å | ||
| 405 | R | 89.8 | Confident | 90.3 | Very high | 98 Ų | 98 | 62.3 Ų | 62.3 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 142.3 | -172.2 | -179.7 | 172.4 | 162.1 | 176.7 | -3.1 | 111.3 | T413 K414 K482 L483 D484 | R405-T413 PolarHBondContact NE-OG1 3.26Å; R405-T413 PolarHBondContact NH1-OG1 2.67Å; R405-T413 PolarHBondContact NH2-OG1 3.28Å; R405-K414 PolarHBondContact NH1-O 2.63Å; R405-K482 PolarHBondContact N-O 3.09Å; R405-L483 HydrophobicContact CB-CD1 4.36Å; R405-L483 HydrophobicContact CG-CD1 4.45Å; R405-L483 CarbonylContact O-C 3.49Å; R405-L483 WeakPolarHBondContact O-CA 3.5Å; R405-D484 PolarHBondContact O-N 3.24Å |
| 406 | A | 91.1 | Very high | 90.4 | Very high | 52 Ų | 52 | 64.6 Ų | 64.6 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 145.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D484 K486 | A406-D484 CarbonylContact C-O 3.58Å; A406-D484 WeakPolarHBondContact CA-O 3.19Å; A406-D484 HydrophobicContact CB-CB 4.36Å; A406-K486 HydrophobicContact CB-CD 4.48Å |
| 407 | T | 90.2 | Very high | 90.1 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.08 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 165.8 | 172.7 | -162.5 | 0 | 0 | 0 | 0 | 110.5 | Y411 T413 P458 L483 D484 V485 K486 | T407-Y411 PolarHBondContact OG1-O 2.76Å; T407-T413 HydrophobicContact CG2-CG2 4Å; T407-P458 HydrophobicContact CG2-CG 3.81Å; T407-L483 HydrophobicContact CG2-CD1 3.99Å; T407-L483 HydrophobicContact CG2-CG 4.46Å; T407-D484 PolarHBondContact N-O 3.35Å; T407-V485 HydrophobicContact CG2-CB 4.45Å; T407-V485 HydrophobicContact CG2-CG1 4.36Å; T407-V485 HydrophobicContact CG2-CG2 3.93Å; T407-V485 CarbonylContact O-C 3.52Å; T407-V485 WeakPolarHBondContact O-CA 3.27Å; T407-K486 PolarHBondContact O-N 2.91Å |
| 408 | T | 89 | Confident | 89.7 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142.4 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 109.8 | G410 Y411 K486 P488 | T408-G410 PolarHBondContact O-N 3.32Å; T408-Y411 HydrophobicContact CG2-CD2 3.95Å; T408-Y411 HydrophobicContact CG2-CE2 4.2Å; T408-Y411 PolarHBondContact O-N 2.87Å; T408-K486 CarbonylContact C-O 3.49Å; T408-K486 VanDerWaalsContact CA-O 3.27Å; T408-K486 WeakPolarHBondContact CA-O 2.95Å; T408-P488 HydrophobicContact CG2-CB 3.96Å; T408-P488 HydrophobicContact CG2-CG 4.34Å |
| 409 | V | 90.3 | Very high | 89.6 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 131 | 175.4 | 175 | 0 | 0 | 0 | 0 | 110.8 | Y411 P458 N460 V485 K486 Q487 | V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 2.96Å; V409-P458 CarbonylContact C-O 3.52Å; V409-P458 VanDerWaalsContact CA-O 3.29Å; V409-P458 WeakPolarHBondContact CA-O 3.23Å; V409-N460 WeakPolarHBondContact CG2-OD1 3.25Å; V409-V485 HydrophobicContact CB-CG1 4.48Å; V409-V485 HydrophobicContact CG2-CG1 3.66Å; V409-K486 PolarHBondContact N-O 2.8Å; V409-Q487 HydrophobicContact CG2-CG 4.29Å |
| 410 | G | 83.4 | Confident | 89.6 | Confident | 39 Ų | 39 | 62 Ų | 62 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -15.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | T408 P458 | T408-G410 PolarHBondContact O-N 3.32Å; G410-P458 PolarHBondContact N-O 3.21Å |
| 411 | Y | 83.9 | Confident | 89.5 | Confident | 164 Ų | 164 | 59.6 Ų | 59.6 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -94.2 | 117.1 | 177.3 | -69 | -90.1 | 0 | 0 | 0 | 111.1 | T407 T408 V409 T413 P458 | T407-Y411 PolarHBondContact OG1-O 2.76Å; T408-Y411 HydrophobicContact CG2-CD2 3.95Å; T408-Y411 HydrophobicContact CG2-CE2 4.2Å; T408-Y411 PolarHBondContact O-N 2.87Å; V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 2.96Å; Y411-T413 PolarHBondContact O-N 2.99Å; Y411-P458 WeakPolarHBondContact O-CD 3.28Å; Y411-P458 WeakPolarHBondContact O-CG 3.44Å |
| 412 | S | 90.6 | Very high | 89.1 | Confident | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | trans | -57.6 | 139.4 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | I455 R456 K457 | S412-I455 VanDerWaalsContact CA-O 3.31Å; S412-I455 WeakPolarHBondContact CA-O 3.14Å; S412-R456 WeakPolarHBondContact OG-CA 3.38Å; S412-K457 PolarHBondContact OG-N 2.72Å | ||
| 413 | T | 90.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155 | -179.1 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | R405 T407 Y411 E454 I455 P458 L483 | R405-T413 PolarHBondContact NE-OG1 3.26Å; R405-T413 PolarHBondContact NH1-OG1 2.67Å; R405-T413 PolarHBondContact NH2-OG1 3.28Å; T407-T413 HydrophobicContact CG2-CG2 4Å; Y411-T413 PolarHBondContact O-N 2.99Å; T413-E454 CarbonylContact O-C 3.54Å; T413-E454 WeakPolarHBondContact O-CA 3.47Å; T413-I455 HydrophobicContact CG2-CB 3.79Å; T413-I455 HydrophobicContact CG2-CD1 3.98Å; T413-I455 HydrophobicContact CG2-CG1 4.31Å; T413-I455 PolarHBondContact N-O 3.34Å; T413-I455 PolarHBondContact O-N 3.18Å; T413-P458 HydrophobicContact CG2-CG 4.32Å; T413-L483 HydrophobicContact CG2-CD1 4.13Å; T413-L483 HydrophobicContact CG2-CD2 4.08Å |
| 414 | K | 93.9 | Very high | 88.6 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.8 | -178.3 | -169.6 | 174.1 | -178.5 | 179.3 | 0 | 110.2 | R405 S452 L453 E454 | R405-K414 PolarHBondContact NH1-O 2.63Å; K414-S452 WeakPolarHBondContact CE-OG 3.36Å; K414-S452 PolarHBondContact NZ-OG 3.07Å; K414-L453 WeakPolarHBondContact CA-O 3.42Å; K414-E454 HydrophobicContact CG-CB 4.44Å |
| 415 | L | 93.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.9 | 170.5 | -53.3 | -176.8 | 0 | 0 | 0 | 108.2 | L402 W429 S452 L453 I455 Y466 | L402-L415 HydrophobicContact CD2-CB 4.17Å; L415-W429 HydrophobicContact CB-CH2 4.08Å; L415-W429 HydrophobicContact CB-CZ3 4.19Å; L415-W429 HydrophobicContact CD1-CZ3 4.33Å; L415-S452 WeakPolarHBondContact O-CA 3.4Å; L415-S452 WeakPolarHBondContact O-CB 3.03Å; L415-L453 HydrophobicContact CB-CB 4.43Å; L415-L453 HydrophobicContact CD1-CD2 4.35Å; L415-L453 PolarHBondContact N-O 2.84Å; L415-L453 PolarHBondContact O-N 3.02Å; L415-I455 HydrophobicContact CD1-CD1 4.44Å; L415-Y466 VanDerWaalsContact CD1-CB 3.45Å; L415-Y466 HydrophobicContact CD1-CD1 4.13Å; L415-Y466 HydrophobicContact CD1-CD2 4.21Å; L415-Y466 HydrophobicContact CD1-CG 3.67Å |
| 416 | L | 91.3 | Very high | 88.6 | Confident | 94 Ų | 94 | 61.9 Ų | 61.9 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 132.7 | -172.8 | -175.5 | 70.5 | 0 | 0 | 0 | 109.8 | I450 | L416-I450 HydrophobicContact CD1-CG2 3.66Å |
| 417 | C | 88.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 164.5 | 171.5 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | F398 T400 L402 C451 C468 I479 | F398-C417 HydrophobicContact CD1-CB 4.11Å; F398-C417 HydrophobicContact CE1-CB 4.3Å; T400-C417 VanDerWaalsContact O-CB 3.3Å; T400-C417 WeakPolarHBondContact O-CB 3.16Å; L402-C417 HydrophobicContact CD2-CB 3.78Å; L402-C417 HydrophobicContact CG-CB 4.26Å; C417-C451 PolarHBondContact N-O 2.89Å; C417-C451 PolarHBondContact O-N 3.16Å; C417-C468 VanDerWaalsContact SG-SG 3.66Å; C417-I479 HydrophobicContact CB-CD1 3.47Å; C417-I479 VanDerWaalsContact CB-CD1 3.47Å |
| 418 | S | 84.4 | Confident | 89.1 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.5 | 176.5 | -62.2 | 0 | 0 | 0 | 0 | 108.7 | F398 T399 T400 G449 | F398-S418 CarbonylContact C-O 3.48Å; F398-S418 VanDerWaalsContact CA-O 3.26Å; F398-S418 WeakPolarHBondContact CA-O 3.02Å; T399-S418 PolarHBondContact N-O 2.82Å; T399-S418 WeakPolarHBondContact OG1-CB 3.37Å; T399-S418 PolarHBondContact OG1-O 3.33Å; T400-S418 PolarHBondContact N-O 3.41Å; T400-S418 PolarHBondContact O-N 3.33Å; S418-G449 CarbonylContact C-O 3.51Å; S418-G449 VanDerWaalsContact CA-O 3.28Å; S418-G449 WeakPolarHBondContact CA-O 3.23Å |
| 419 | V | 89.6 | Confident | 89.5 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.5 | -176.5 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | P396 F398 I427 G449 C451 A470 | P396-V419 HydrophobicContact CB-CG2 4.23Å; F398-V419 HydrophobicContact CD1-CB 3.68Å; F398-V419 HydrophobicContact CD1-CG2 4.08Å; F398-V419 HydrophobicContact CE1-CB 3.72Å; F398-V419 HydrophobicContact CE1-CG1 4.45Å; F398-V419 HydrophobicContact CE1-CG2 4.07Å; F398-V419 HydrophobicContact CG-CB 4.36Å; F398-V419 HydrophobicContact CG-CG2 4.35Å; F398-V419 HydrophobicContact CZ-CB 4.42Å; F398-V419 HydrophobicContact CZ-CG2 4.32Å; V419-I427 HydrophobicContact CG1-CD1 3.78Å; V419-G449 PolarHBondContact N-O 2.88Å; V419-G449 VanDerWaalsContact O-CA 3.3Å; V419-G449 WeakPolarHBondContact O-CA 3.41Å; V419-C451 VanDerWaalsContact CG1-SG 3.58Å; V419-A470 HydrophobicContact CG2-CB 3.69Å |
| 420 | R | 84.6 | Confident | 89.8 | Confident | 175 Ų | 175 | 59 Ų | 59 | 66% | 0.66 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 157.8 | 167.8 | -70.3 | -172.1 | 178.4 | -159.1 | 0.3 | 109.2 | P396 K397 T399 | P396-R420 CarbonylContact C-O 3.53Å; P396-R420 VanDerWaalsContact CA-O 3.26Å; P396-R420 WeakPolarHBondContact CA-O 3.36Å; K397-R420 PolarHBondContact N-O 2.96Å; K397-R420 PolarHBondContact O-N 3.31Å; T399-R420 HydrophobicContact CG2-CB 4.33Å; T399-R420 HydrophobicContact CG2-CG 3.78Å |
| 421 | G | 85.1 | Confident | 90.4 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | 149.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109 | E394 P423 P425 | E394-G421 WeakPolarHBondContact O-CA 3.45Å; G421-P423 CarbonylContact C-O 3.58Å; G421-P425 WeakPolarHBondContact O-CD 3.49Å |
| 422 | S | 82.4 | Confident | 90.9 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 123.4 | -178.6 | 170.3 | 0 | 0 | 0 | 0 | 108 | F392 N393 E394 N472 | F392-S422 WeakPolarHBondContact O-CB 3.48Å; F392-S422 PolarHBondContact O-OG 3.24Å; N393-S422 CarbonylContact C-O 3.51Å; N393-S422 WeakPolarHBondContact CA-O 3.39Å; E394-S422 PolarHBondContact N-O 2.91Å; E394-S422 VanDerWaalsContact N-O 3.07Å; E394-S422 PolarHBondContact O-N 2.82Å; S422-N472 PolarHBondContact N-ND2 3.15Å; S422-N472 PolarHBondContact O-ND2 2.9Å |
| 423 | P | 87.9 | Confident | 90.9 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 34% | 0.338 | 29% | 0.289 | S | S | . | . | S | Bend | cis | -58.2 | 161.5 | -1.5 | -24.8 | 35.6 | 0 | 0 | 0 | 114.6 | G421 P425 N472 H474 | G421-P423 CarbonylContact C-O 3.58Å; P423-P425 WeakPolarHBondContact O-CD 3.34Å; P423-P425 VanDerWaalsContact O-N 3.16Å; P423-N472 VanDerWaalsContact O-CB 3.31Å; P423-N472 WeakPolarHBondContact O-CB 3.38Å; P423-N472 PolarHBondContact O-ND2 2.97Å; P423-H474 WeakPolarHBondContact CD-CD2 3.12Å |
| 424 | K | 85.3 | Confident | 91 | Very high | 175 Ų | 175 | 66.3 Ų | 66.3 | 76% | 0.761 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 118.9 | -174.8 | -178.8 | -178.4 | 176.7 | -177.1 | 0 | 110.8 | ||
| 425 | P | 90.8 | Very high | 91 | Very high | 17 Ų | 17 | 66.5 Ų | 66.5 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 137.6 | -177.5 | -22.1 | 33 | 0 | 0 | 0 | 112.5 | P396 G421 P423 I427 A470 K471 | P396-P425 HydrophobicContact CB-CB 4.03Å; P396-P425 HydrophobicContact CB-CG 3.84Å; P396-P425 HydrophobicContact CG-CB 3.92Å; P396-P425 HydrophobicContact CG-CG 3.89Å; G421-P425 WeakPolarHBondContact O-CD 3.49Å; P423-P425 WeakPolarHBondContact O-CD 3.34Å; P423-P425 VanDerWaalsContact O-N 3.16Å; P425-I427 HydrophobicContact CB-CD1 4.25Å; P425-A470 HydrophobicContact CB-CB 3.94Å; P425-K471 CarbonylContact C-O 3.53Å; P425-K471 WeakPolarHBondContact CA-O 3.37Å |
| 426 | K | 94.1 | Very high | 91 | Very high | 158 Ų | 158 | 67 Ų | 67 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 130.7 | 164.3 | -173.3 | 179.3 | 179.1 | -175.7 | 0 | 108.7 | A470 K471 | K426-A470 WeakPolarHBondContact O-CA 3.31Å; K426-K471 PolarHBondContact N-O 2.85Å; K426-K471 PolarHBondContact O-N 2.83Å |
| 427 | I | 95.8 | Very high | 90.8 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.195 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.7 | -175 | -51.9 | -61.3 | 0 | 0 | 0 | 109.9 | V419 P425 C446 C451 R469 A470 | V419-I427 HydrophobicContact CG1-CD1 3.78Å; P425-I427 HydrophobicContact CB-CD1 4.25Å; I427-C446 HydrophobicContact CG1-CB 4.09Å; I427-C451 VanDerWaalsContact CG1-SG 3.53Å; I427-C451 HydrophobicContact CG2-CB 4.37Å; I427-R469 CarbonylContact C-O 3.6Å; I427-R469 WeakPolarHBondContact CA-O 3.2Å; I427-A470 HydrophobicContact CD1-CB 3.65Å |
| 428 | E | 96.4 | Very high | 90.6 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 120.7 | -179.9 | -174.8 | 169.6 | -99.9 | 0 | 0 | 109 | I435 R469 | E428-I435 HydrophobicContact CG-CD1 4.4Å; E428-I435 HydrophobicContact CG-CG1 4.05Å; E428-I435 HydrophobicContact CG-CG2 3.82Å; E428-I435 WeakPolarHBondContact OE1-CD1 3.38Å; E428-R469 HydrophobicContact CB-CB 4.4Å; E428-R469 PolarHBondContact N-O 3.22Å; E428-R469 PolarHBondContact O-N 2.9Å; E428-R469 IonicContact OE2-NH1 3.08Å; E428-R469 PolarHBondContact OE2-NH1 3.1Å; E428-R469 VanDerWaalsContact OE2-NH1 3.08Å |
| 429 | W | 97.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 75.3 Ų | 75.3 | 1% | 0.011 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 139.9 | 175.9 | -73.9 | 91.7 | 0 | 0 | 0 | 110.5 | L402 L415 I436 Q444 C451 L453 S467 C468 | L402-W429 HydrophobicContact CD1-CH2 4.35Å; L402-W429 HydrophobicContact CD1-CZ3 3.92Å; L402-W429 HydrophobicContact CD2-CH2 3.77Å; L402-W429 HydrophobicContact CD2-CZ3 4.1Å; L415-W429 HydrophobicContact CB-CH2 4.08Å; L415-W429 HydrophobicContact CB-CZ3 4.19Å; L415-W429 HydrophobicContact CD1-CZ3 4.33Å; W429-I436 HydrophobicContact CB-CD1 4.06Å; W429-I436 PolarHBondContact O-N 3.39Å; W429-Q444 VanDerWaalsContact CD1-OE1 3.3Å; W429-C451 HydrophobicContact CZ2-CB 4.49Å; W429-L453 HydrophobicContact CB-CD1 4.29Å; W429-L453 HydrophobicContact CB-CD2 4.31Å; W429-L453 HydrophobicContact CD2-CB 3.61Å; W429-L453 HydrophobicContact CD2-CD1 4.42Å; W429-L453 HydrophobicContact CD2-CD2 3.99Å; W429-L453 HydrophobicContact CD2-CG 4.22Å; W429-L453 HydrophobicContact CE3-CB 3.76Å; W429-L453 HydrophobicContact CE3-CD2 3.67Å; W429-L453 HydrophobicContact CE3-CG 4.29Å; W429-L453 HydrophobicContact CG-CB 4.18Å; W429-L453 HydrophobicContact CG-CD1 4.14Å; W429-L453 HydrophobicContact CG-CD2 4.28Å; W429-L453 HydrophobicContact CG-CG 4.45Å; W429-L453 HydrophobicContact CH2-CB 3.85Å; W429-L453 HydrophobicContact CZ2-CB 3.76Å; W429-L453 HydrophobicContact CZ3-CB 3.87Å; W429-L453 HydrophobicContact CZ3-CD2 4.22Å; W429-S467 WeakPolarHBondContact CA-O 3.4Å; W429-C468 HydrophobicContact CD2-CB 4.16Å; W429-C468 HydrophobicContact CE3-CB 3.89Å; W429-C468 HydrophobicContact CH2-CB 3.86Å; W429-C468 HydrophobicContact CZ2-CB 4.07Å; W429-C468 HydrophobicContact CZ3-CB 3.75Å |
| 430 | M | 97.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 79.9 Ų | 79.9 | 6% | 0.064 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.7 | 179.1 | -62.8 | 169.5 | -69.8 | 0 | 0 | 110.2 | M434 I435 Y466 S467 R469 I478 | M430-M434 CarbonylContact C-O 3.46Å; M430-M434 WeakPolarHBondContact CA-O 3.29Å; M430-M434 WeakPolarHBondContact CB-O 2.97Å; M430-I435 HydrophobicContact CG-CG1 4.08Å; M430-Y466 CarbonylContact O-C 3.59Å; M430-Y466 WeakPolarHBondContact O-CA 3.25Å; M430-S467 PolarHBondContact N-O 2.89Å; M430-S467 PolarHBondContact O-N 2.74Å; M430-R469 HydrophobicContact CE-CB 3.62Å; M430-I478 HydrophobicContact CE-CD1 4.49Å; M430-I478 HydrophobicContact CE-CG2 4.25Å |
| 431 | K | 95.8 | Very high | 91.1 | Very high | 43 Ų | 43 | 74.7 Ų | 74.7 | 19% | 0.187 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.6 | 168.6 | -179.2 | -172 | 176.5 | -166.4 | 0 | 107.9 | Q433 M434 I436 F461 D462 Y466 | K431-Q433 VanDerWaalsContact C-N 3.25Å; K431-Q433 PolarHBondContact O-N 2.98Å; K431-M434 PolarHBondContact N-O 2.79Å; K431-M434 PolarHBondContact O-N 3.34Å; K431-I436 HydrophobicContact CB-CD1 4.12Å; K431-I436 HydrophobicContact CB-CG1 4.12Å; K431-F461 PolarHBondContact NZ-O 2.69Å; K431-D462 IonicContact NZ-OD1 3.51Å; K431-Y466 HydrophobicContact CB-CD1 4.15Å; K431-Y466 HydrophobicContact CB-CE1 3.86Å; K431-Y466 HydrophobicContact CD-CE1 4.02Å; K431-Y466 WeakPolarHBondContact CD-OH 3.23Å; K431-Y466 WeakPolarHBondContact CE-OH 3.32Å; K431-Y466 HydrophobicContact CG-CD1 4.36Å; K431-Y466 HydrophobicContact CG-CE1 3.83Å; K431-Y466 HydrophobicContact CG-CE2 4.27Å |
| 432 | N | 93.2 | Very high | 91.6 | Very high | 88 Ų | 88 | 75 Ų | 75 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47.3 | -177.4 | -57.4 | -29.5 | 0 | 0 | 0 | 112.1 | M434 G464 V465 | N432-M434 PolarHBondContact O-N 2.86Å; N432-M434 VanDerWaalsContact O-N 3.16Å; N432-G464 WeakPolarHBondContact OD1-CA 3.17Å; N432-V465 PolarHBondContact N-O 2.96Å; N432-V465 PolarHBondContact OD1-N 2.94Å |
| 433 | Q | 90.9 | Very high | 92.1 | Very high | 139 Ų | 139 | 78 Ų | 78 | 65% | 0.65 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -0.4 | -177.3 | -52.7 | -65.1 | -43.6 | 0 | 0 | 116.1 | K431 | K431-Q433 VanDerWaalsContact C-N 3.25Å; K431-Q433 PolarHBondContact O-N 2.98Å |
| 434 | M | 92.3 | Very high | 92.4 | Very high | 147 Ų | 147 | 79.1 Ų | 79.1 | 72% | 0.724 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.1 | 173.7 | -63.8 | -172.4 | 73.6 | 0 | 0 | 110.8 | M430 K431 N432 I436 | M430-M434 CarbonylContact C-O 3.46Å; M430-M434 WeakPolarHBondContact CA-O 3.29Å; M430-M434 WeakPolarHBondContact CB-O 2.97Å; K431-M434 PolarHBondContact N-O 2.79Å; K431-M434 PolarHBondContact O-N 3.34Å; N432-M434 PolarHBondContact O-N 2.86Å; N432-M434 VanDerWaalsContact O-N 3.16Å; M434-I436 PolarHBondContact O-N 2.62Å |
| 435 | I | 94.7 | Very high | 92.5 | Very high | 101 Ų | 101 | 74 Ų | 74 | 52% | 0.518 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 130.4 | 177 | -62.3 | 166.2 | 0 | 0 | 0 | 109.5 | E428 M430 G437 | E428-I435 HydrophobicContact CG-CD1 4.4Å; E428-I435 HydrophobicContact CG-CG1 4.05Å; E428-I435 HydrophobicContact CG-CG2 3.82Å; E428-I435 WeakPolarHBondContact OE1-CD1 3.38Å; M430-I435 HydrophobicContact CG-CG1 4.08Å; I435-G437 PolarHBondContact O-N 3.32Å |
| 436 | I | 93.9 | Very high | 92.2 | Very high | 16 Ų | 16 | 75.1 Ų | 75.1 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | trans | -78.4 | 109 | 173.8 | -57.8 | 178.8 | 0 | 0 | 0 | 107.5 | W429 K431 M434 F442 Q444 L453 Y466 | W429-I436 HydrophobicContact CB-CD1 4.06Å; W429-I436 PolarHBondContact O-N 3.39Å; K431-I436 HydrophobicContact CB-CD1 4.12Å; K431-I436 HydrophobicContact CB-CG1 4.12Å; M434-I436 PolarHBondContact O-N 2.62Å; I436-F442 HydrophobicContact CD1-CD1 4.14Å; I436-F442 HydrophobicContact CD1-CE1 4.27Å; I436-F442 HydrophobicContact CG2-CB 3.73Å; I436-F442 HydrophobicContact CG2-CD1 4.21Å; I436-F442 HydrophobicContact CG2-CD2 3.55Å; I436-F442 HydrophobicContact CG2-CE2 4.19Å; I436-F442 HydrophobicContact CG2-CG 3.55Å; I436-Q444 PolarHBondContact O-NE2 2.81Å; I436-L453 HydrophobicContact CD1-CD1 4.29Å; I436-L453 HydrophobicContact CD1-CD2 3.71Å; I436-Y466 HydrophobicContact CD1-CD1 4.12Å; I436-Y466 HydrophobicContact CD1-CE1 4.06Å | ||
| 437 | G | 86.6 | Confident | 91.5 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | trans | -73.3 | -166.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I435 D439 | I435-G437 PolarHBondContact O-N 3.32Å; G437-D439 VanDerWaalsContact C-N 3.34Å; G437-D439 PolarHBondContact O-N 2.79Å | ||
| 438 | D | 83.7 | Confident | 90.7 | Very high | 176 Ų | 176 | 79 Ų | 79 | 94% | 0.941 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -75.4 | 85.4 | 175.5 | -166.8 | 18.1 | 0 | 0 | 0 | 110.2 | ||
| 439 | D | 89.4 | Confident | 89.9 | Confident | 69 Ų | 69 | 77.9 Ų | 77.9 | 37% | 0.369 | 41% | 0.412 | S | S | . | . | trans | -120.4 | 123.2 | 176.7 | 177 | -21.8 | 0 | 0 | 0 | 108.6 | G437 K441 F442 | G437-D439 VanDerWaalsContact C-N 3.34Å; G437-D439 PolarHBondContact O-N 2.79Å; D439-K441 PolarHBondContact O-N 3.06Å; D439-K441 WeakPolarHBondContact OD1-CB 3.28Å; D439-K441 PolarHBondContact OD1-N 2.84Å; D439-F442 HydrophobicContact CB-CD2 3.98Å; D439-F442 PolarHBondContact O-N 3.05Å | ||
| 440 | P | 88.6 | Confident | 89.5 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 67% | 0.669 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.9 | -179.4 | -25.3 | 33.2 | 0 | 0 | 0 | 115.4 | F442 R456 | P440-F442 VanDerWaalsContact C-N 3.28Å; P440-R456 WeakPolarHBondContact O-CD 3.36Å; P440-R456 PolarHBondContact O-NH1 2.71Å; P440-R456 VanDerWaalsContact O-NH1 3.15Å |
| 441 | K | 92 | Very high | 89.2 | Confident | 67 Ų | 67 | 81.5 Ų | 81.5 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -29.6 | 174.1 | -165 | -179.5 | -156.8 | -179.5 | 0 | 112.5 | D439 R456 D462 | D439-K441 PolarHBondContact O-N 3.06Å; D439-K441 WeakPolarHBondContact OD1-CB 3.28Å; D439-K441 PolarHBondContact OD1-N 2.84Å; K441-R456 WeakPolarHBondContact O-CB 3.37Å; K441-R456 PolarHBondContact O-N 2.88Å; K441-D462 WeakPolarHBondContact CE-OD2 3.5Å; K441-D462 IonicContact NZ-OD1 3.08Å; K441-D462 PolarHBondContact NZ-OD1 2.69Å; K441-D462 IonicContact NZ-OD2 2.75Å; K441-D462 PolarHBondContact NZ-OD2 2.82Å |
| 442 | F | 95.1 | Very high | 89.2 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.5 | -177.6 | -61 | -77.8 | 0 | 0 | 0 | 110.2 | I436 D439 P440 L453 E454 I455 Y466 | I436-F442 HydrophobicContact CD1-CD1 4.14Å; I436-F442 HydrophobicContact CD1-CE1 4.27Å; I436-F442 HydrophobicContact CG2-CB 3.73Å; I436-F442 HydrophobicContact CG2-CD1 4.21Å; I436-F442 HydrophobicContact CG2-CD2 3.55Å; I436-F442 HydrophobicContact CG2-CE2 4.19Å; I436-F442 HydrophobicContact CG2-CG 3.55Å; D439-F442 HydrophobicContact CB-CD2 3.98Å; D439-F442 PolarHBondContact O-N 3.05Å; P440-F442 VanDerWaalsContact C-N 3.28Å; F442-L453 HydrophobicContact CB-CD1 3.97Å; F442-L453 HydrophobicContact CD1-CD1 4.13Å; F442-L453 HydrophobicContact CD1-CD2 4.49Å; F442-L453 HydrophobicContact CD1-CG 4.5Å; F442-L453 HydrophobicContact CG-CD1 4.47Å; F442-E454 CarbonylContact C-O 3.55Å; F442-E454 WeakPolarHBondContact CA-O 3.37Å; F442-I455 HydrophobicContact CD1-CB 4.47Å; F442-I455 HydrophobicContact CD1-CG1 3.92Å; F442-I455 HydrophobicContact CD1-CG2 4.34Å; F442-I455 HydrophobicContact CE1-CB 4.42Å; F442-I455 HydrophobicContact CE1-CG1 3.93Å; F442-I455 HydrophobicContact CE1-CG2 3.91Å; F442-Y466 HydrophobicContact CE1-CE1 4.01Å |
| 443 | R | 94.2 | Very high | 89.3 | Confident | 111 Ų | 111 | 75.5 Ų | 75.5 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 110.4 | 172.5 | 179.8 | 170.3 | 67 | 162.6 | 5.5 | 110.1 | I445 E454 | R443-I445 HydrophobicContact CG-CD1 4.22Å; R443-I445 HydrophobicContact CG-CG1 4.18Å; R443-E454 HydrophobicContact CB-CB 4.23Å; R443-E454 IonicContact CZ-OE2 2.59Å; R443-E454 PolarHBondContact N-O 2.92Å; R443-E454 IonicContact NE-OE2 2.63Å; R443-E454 PolarHBondContact NE-OE2 2.89Å; R443-E454 IonicContact NH2-OE1 3.03Å; R443-E454 IonicContact NH2-OE2 2.87Å; R443-E454 PolarHBondContact NH2-OE2 2.89Å; R443-E454 PolarHBondContact O-N 2.93Å |
| 444 | Q | 93.1 | Very high | 89.6 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.4 | 179.5 | -54.5 | -176.9 | 44.2 | 0 | 0 | 109.9 | W429 I436 S452 L453 | W429-Q444 VanDerWaalsContact CD1-OE1 3.3Å; I436-Q444 PolarHBondContact O-NE2 2.81Å; Q444-S452 WeakPolarHBondContact CA-O 3.33Å; Q444-L453 HydrophobicContact CG-CD1 3.63Å |
| 445 | I | 88.3 | Confident | 89.8 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 127.1 | 177.2 | -59.5 | 173.8 | 0 | 0 | 0 | 107.9 | R443 V447 C451 S452 | R443-I445 HydrophobicContact CG-CD1 4.22Å; R443-I445 HydrophobicContact CG-CG1 4.18Å; I445-V447 HydrophobicContact CG2-CG2 3.94Å; I445-C451 CarbonylContact O-C 3.56Å; I445-C451 WeakPolarHBondContact O-CA 3.23Å; I445-S452 PolarHBondContact N-O 2.84Å; I445-S452 PolarHBondContact O-N 3.13Å |
| 446 | C | 84.4 | Confident | 89.8 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 28% | 0.284 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 111.5 | 164.9 | -162 | 0 | 0 | 0 | 0 | 112.2 | I427 I450 C451 | I427-C446 HydrophobicContact CG1-CB 4.09Å; C446-I450 VanDerWaalsContact CA-O 3.31Å; C446-I450 WeakPolarHBondContact CA-O 3.4Å; C446-I450 VanDerWaalsContact SG-C 3.56Å; C446-I450 PolarHBondContact SG-O 2.96Å; C446-C451 HydrophobicContact CB-CB 3.77Å; C446-C451 WeakPolarHBondContact CB-SG 3.27Å; C446-C451 WeakPolarHBondContact SG-CA 3.35Å; C446-C451 WeakPolarHBondContact SG-CB 3.42Å; C446-C451 CovalentContact SG-SG 2.07Å; C446-C451 PolarHBondContact SG-SG 2.83Å |
| 447 | V | 79.3 | Confident | 89.6 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.7 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | I445 G449 I450 | I445-V447 HydrophobicContact CG2-CG2 3.94Å; V447-G449 PolarHBondContact O-N 2.82Å; V447-G449 VanDerWaalsContact O-N 3.1Å; V447-I450 PolarHBondContact N-O 2.9Å; V447-I450 VanDerWaalsContact N-O 3.14Å; V447-I450 PolarHBondContact O-N 2.97Å |
| 448 | Q | 79.4 | Confident | 89.8 | Confident | 188 Ų | 188 | 68 Ų | 68 | 88% | 0.879 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.6 | 178.9 | -64.2 | 177.8 | -27.8 | 0 | 0 | 114.2 | I450 | Q448-I450 VanDerWaalsContact C-N 3.3Å; Q448-I450 PolarHBondContact O-N 3.08Å |
| 449 | G | 78.3 | Confident | 90.1 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 24% | 0.237 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -4.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S418 V419 V447 | S418-G449 CarbonylContact C-O 3.51Å; S418-G449 VanDerWaalsContact CA-O 3.28Å; S418-G449 WeakPolarHBondContact CA-O 3.23Å; V419-G449 PolarHBondContact N-O 2.88Å; V419-G449 VanDerWaalsContact O-CA 3.3Å; V419-G449 WeakPolarHBondContact O-CA 3.41Å; V447-G449 PolarHBondContact O-N 2.82Å; V447-G449 VanDerWaalsContact O-N 3.1Å |
| 450 | I | 89.3 | Confident | 90 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.5 | 172.8 | -57.8 | 174.9 | 0 | 0 | 0 | 108.1 | L416 C446 V447 Q448 | L416-I450 HydrophobicContact CD1-CG2 3.66Å; C446-I450 VanDerWaalsContact CA-O 3.31Å; C446-I450 WeakPolarHBondContact CA-O 3.4Å; C446-I450 VanDerWaalsContact SG-C 3.56Å; C446-I450 PolarHBondContact SG-O 2.96Å; V447-I450 PolarHBondContact N-O 2.9Å; V447-I450 VanDerWaalsContact N-O 3.14Å; V447-I450 PolarHBondContact O-N 2.97Å; Q448-I450 VanDerWaalsContact C-N 3.3Å; Q448-I450 PolarHBondContact O-N 3.08Å |
| 451 | C | 91 | Very high | 90 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 134.7 | -177.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | C417 V419 I427 W429 I445 C446 | C417-C451 PolarHBondContact N-O 2.89Å; C417-C451 PolarHBondContact O-N 3.16Å; V419-C451 VanDerWaalsContact CG1-SG 3.58Å; I427-C451 VanDerWaalsContact CG1-SG 3.53Å; I427-C451 HydrophobicContact CG2-CB 4.37Å; W429-C451 HydrophobicContact CZ2-CB 4.49Å; I445-C451 CarbonylContact O-C 3.56Å; I445-C451 WeakPolarHBondContact O-CA 3.23Å; C446-C451 HydrophobicContact CB-CB 3.77Å; C446-C451 WeakPolarHBondContact CB-SG 3.27Å; C446-C451 WeakPolarHBondContact SG-CA 3.35Å; C446-C451 WeakPolarHBondContact SG-CB 3.42Å; C446-C451 CovalentContact SG-SG 2.07Å; C446-C451 PolarHBondContact SG-SG 2.83Å |
| 452 | S | 95.2 | Very high | 90.1 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 143.9 | 179.4 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | K414 L415 Q444 I445 | K414-S452 WeakPolarHBondContact CE-OG 3.36Å; K414-S452 PolarHBondContact NZ-OG 3.07Å; L415-S452 WeakPolarHBondContact O-CA 3.4Å; L415-S452 WeakPolarHBondContact O-CB 3.03Å; Q444-S452 WeakPolarHBondContact CA-O 3.33Å; I445-S452 PolarHBondContact N-O 2.84Å; I445-S452 PolarHBondContact O-N 3.13Å |
| 453 | L | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 111.5 | 171.8 | 179.2 | 71.9 | 0 | 0 | 0 | 108.1 | K414 L415 W429 I436 F442 Q444 I455 Y466 | K414-L453 WeakPolarHBondContact CA-O 3.42Å; L415-L453 HydrophobicContact CB-CB 4.43Å; L415-L453 HydrophobicContact CD1-CD2 4.35Å; L415-L453 PolarHBondContact N-O 2.84Å; L415-L453 PolarHBondContact O-N 3.02Å; W429-L453 HydrophobicContact CB-CD1 4.29Å; W429-L453 HydrophobicContact CB-CD2 4.31Å; W429-L453 HydrophobicContact CD2-CB 3.61Å; W429-L453 HydrophobicContact CD2-CD1 4.42Å; W429-L453 HydrophobicContact CD2-CD2 3.99Å; W429-L453 HydrophobicContact CD2-CG 4.22Å; W429-L453 HydrophobicContact CE3-CB 3.76Å; W429-L453 HydrophobicContact CE3-CD2 3.67Å; W429-L453 HydrophobicContact CE3-CG 4.29Å; W429-L453 HydrophobicContact CG-CB 4.18Å; W429-L453 HydrophobicContact CG-CD1 4.14Å; W429-L453 HydrophobicContact CG-CD2 4.28Å; W429-L453 HydrophobicContact CG-CG 4.45Å; W429-L453 HydrophobicContact CH2-CB 3.85Å; W429-L453 HydrophobicContact CZ2-CB 3.76Å; W429-L453 HydrophobicContact CZ3-CB 3.87Å; W429-L453 HydrophobicContact CZ3-CD2 4.22Å; I436-L453 HydrophobicContact CD1-CD1 4.29Å; I436-L453 HydrophobicContact CD1-CD2 3.71Å; F442-L453 HydrophobicContact CB-CD1 3.97Å; F442-L453 HydrophobicContact CD1-CD1 4.13Å; F442-L453 HydrophobicContact CD1-CD2 4.49Å; F442-L453 HydrophobicContact CD1-CG 4.5Å; F442-L453 HydrophobicContact CG-CD1 4.47Å; Q444-L453 HydrophobicContact CG-CD1 3.63Å; L453-I455 HydrophobicContact CD2-CG1 4.4Å; L453-I455 HydrophobicContact CG-CG1 4.34Å; L453-Y466 HydrophobicContact CD2-CD1 3.61Å; L453-Y466 HydrophobicContact CD2-CE1 4.01Å |
| 454 | E | 96.3 | Very high | 90 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128 | 169.2 | -179.1 | -173 | -174.2 | 0 | 0 | 109.9 | T413 K414 F442 R443 R456 | T413-E454 CarbonylContact O-C 3.54Å; T413-E454 WeakPolarHBondContact O-CA 3.47Å; K414-E454 HydrophobicContact CG-CB 4.44Å; F442-E454 CarbonylContact C-O 3.55Å; F442-E454 WeakPolarHBondContact CA-O 3.37Å; R443-E454 HydrophobicContact CB-CB 4.23Å; R443-E454 IonicContact CZ-OE2 2.59Å; R443-E454 PolarHBondContact N-O 2.92Å; R443-E454 IonicContact NE-OE2 2.63Å; R443-E454 PolarHBondContact NE-OE2 2.89Å; R443-E454 IonicContact NH2-OE1 3.03Å; R443-E454 IonicContact NH2-OE2 2.87Å; R443-E454 PolarHBondContact NH2-OE2 2.89Å; R443-E454 PolarHBondContact O-N 2.93Å; E454-R456 HydrophobicContact CG-CG 4.32Å |
| 455 | I | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.9 | 176.4 | -52.2 | 163 | 0 | 0 | 0 | 106.3 | S412 T413 L415 F442 L453 P458 Y466 L483 | S412-I455 VanDerWaalsContact CA-O 3.31Å; S412-I455 WeakPolarHBondContact CA-O 3.14Å; T413-I455 HydrophobicContact CG2-CB 3.79Å; T413-I455 HydrophobicContact CG2-CD1 3.98Å; T413-I455 HydrophobicContact CG2-CG1 4.31Å; T413-I455 PolarHBondContact N-O 3.34Å; T413-I455 PolarHBondContact O-N 3.18Å; L415-I455 HydrophobicContact CD1-CD1 4.44Å; F442-I455 HydrophobicContact CD1-CB 4.47Å; F442-I455 HydrophobicContact CD1-CG1 3.92Å; F442-I455 HydrophobicContact CD1-CG2 4.34Å; F442-I455 HydrophobicContact CE1-CB 4.42Å; F442-I455 HydrophobicContact CE1-CG1 3.93Å; F442-I455 HydrophobicContact CE1-CG2 3.91Å; L453-I455 HydrophobicContact CD2-CG1 4.4Å; L453-I455 HydrophobicContact CG-CG1 4.34Å; I455-P458 HydrophobicContact CG2-CB 4Å; I455-Y466 HydrophobicContact CD1-CD1 4.3Å; I455-Y466 HydrophobicContact CD1-CE1 3.7Å; I455-Y466 HydrophobicContact CD1-CE2 4.06Å; I455-Y466 HydrophobicContact CG1-CE1 4.4Å; I455-L483 HydrophobicContact CD1-CD2 3.44Å; I455-L483 VanDerWaalsContact CD1-CD2 3.44Å |
| 456 | R | 94.7 | Very high | 90.6 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -84.7 | 126.9 | -174.8 | -66.5 | 172.9 | 172 | 175 | -8.3 | 110 | S412 P440 K441 E454 | S412-R456 WeakPolarHBondContact OG-CA 3.38Å; P440-R456 WeakPolarHBondContact O-CD 3.36Å; P440-R456 PolarHBondContact O-NH1 2.71Å; P440-R456 VanDerWaalsContact O-NH1 3.15Å; K441-R456 WeakPolarHBondContact O-CB 3.37Å; K441-R456 PolarHBondContact O-N 2.88Å; E454-R456 HydrophobicContact CG-CG 4.32Å | ||
| 457 | K | 90.2 | Very high | 91.3 | Very high | 160 Ų | 160 | 52.2 Ų | 52.2 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 44.8 | 61.5 | 178 | -57.6 | -174.7 | 177 | -177.7 | 0 | 112.6 | S412 | S412-K457 PolarHBondContact OG-N 2.72Š|
| 458 | P | 91.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -60.7 | 140.3 | -178.6 | 27.4 | -34.3 | 0 | 0 | 0 | 111.2 | T407 V409 G410 Y411 T413 I455 D462 V485 | T407-P458 HydrophobicContact CG2-CG 3.81Å; V409-P458 CarbonylContact C-O 3.52Å; V409-P458 VanDerWaalsContact CA-O 3.29Å; V409-P458 WeakPolarHBondContact CA-O 3.23Å; G410-P458 PolarHBondContact N-O 3.21Å; Y411-P458 WeakPolarHBondContact O-CD 3.28Å; Y411-P458 WeakPolarHBondContact O-CG 3.44Å; T413-P458 HydrophobicContact CG2-CG 4.32Å; I455-P458 HydrophobicContact CG2-CB 4Å; P458-D462 WeakPolarHBondContact CA-OD2 3.5Å; P458-D462 HydrophobicContact CB-CB 3.88Å; P458-V485 HydrophobicContact CB-CG1 4.46Å; P458-V485 HydrophobicContact CB-CG2 4.21Å | ||
| 459 | G | 90.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 42 Ų | 42 | 24% | 0.237 | 22% | 0.217 | C | C | . | . | trans | -104.4 | -178 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F461 D462 | G459-F461 PolarHBondContact O-N 3.37Å; G459-F461 VanDerWaalsContact O-N 3.12Å; G459-D462 PolarHBondContact N-OD2 2.95Å; G459-D462 WeakPolarHBondContact O-CB 3.38Å; G459-D462 PolarHBondContact O-N 2.78Å | ||
| 460 | N | 86.9 | Confident | 93.8 | Very high | 85 Ų | 85 | 41 Ų | 41 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -57.9 | -30.8 | -175.1 | -64.5 | -14.7 | 0 | 0 | 0 | 113.6 | V409 D462 Q487 | V409-N460 WeakPolarHBondContact CG2-OD1 3.25Å; N460-D462 VanDerWaalsContact C-N 3.32Å; N460-Q487 PolarHBondContact ND2-NE2 3.41Å |
| 461 | F | 89.1 | Confident | 94.1 | Very high | 191 Ų | 191 | 42 Ų | 42 | 84% | 0.838 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -85.3 | -2.6 | 179.4 | -57.1 | -73 | 0 | 0 | 0 | 113.7 | K431 G459 G463 | K431-F461 PolarHBondContact NZ-O 2.69Å; G459-F461 PolarHBondContact O-N 3.37Å; G459-F461 VanDerWaalsContact O-N 3.12Å; F461-G463 VanDerWaalsContact C-N 3.34Å |
| 462 | D | 92.2 | Very high | 94.2 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -85.6 | -8.8 | 177.2 | -63.1 | -52 | 0 | 0 | 0 | 113.6 | K431 K441 P458 G459 N460 Y466 V485 | K431-D462 IonicContact NZ-OD1 3.51Å; K441-D462 WeakPolarHBondContact CE-OD2 3.5Å; K441-D462 IonicContact NZ-OD1 3.08Å; K441-D462 PolarHBondContact NZ-OD1 2.69Å; K441-D462 IonicContact NZ-OD2 2.75Å; K441-D462 PolarHBondContact NZ-OD2 2.82Å; P458-D462 WeakPolarHBondContact CA-OD2 3.5Å; P458-D462 HydrophobicContact CB-CB 3.88Å; G459-D462 PolarHBondContact N-OD2 2.95Å; G459-D462 WeakPolarHBondContact O-CB 3.38Å; G459-D462 PolarHBondContact O-N 2.78Å; N460-D462 VanDerWaalsContact C-N 3.32Å; D462-Y466 VanDerWaalsContact O-CE2 3.28Å; D462-Y466 WeakPolarHBondContact O-CE2 3.08Å; D462-Y466 PolarHBondContact O-OH 3.13Å; D462-V485 HydrophobicContact CB-CG2 4.43Å |
| 463 | G | 93.2 | Very high | 94.1 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 24% | 0.237 | 24% | 0.244 | C | C | . | . | trans | -63.6 | 149.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F461 L483 | F461-G463 VanDerWaalsContact C-N 3.34Å; G463-L483 CarbonylContact C-O 3.55Å; G463-L483 WeakPolarHBondContact CA-O 3.49Å | ||
| 464 | G | 94.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -172.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N432 L483 | N432-G464 WeakPolarHBondContact OD1-CA 3.17Å; G464-L483 PolarHBondContact N-O 2.79Å; G464-L483 PolarHBondContact O-N 2.7Å |
| 465 | V | 97.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.4 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | N432 C481 | N432-V465 PolarHBondContact N-O 2.96Å; N432-V465 PolarHBondContact OD1-N 2.94Å; V465-C481 CarbonylContact C-O 3.36Å; V465-C481 WeakPolarHBondContact CA-O 3.45Å |
| 466 | Y | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133 | 174.7 | -73.7 | -95.2 | 0 | 0 | 0 | 109.4 | L415 M430 K431 I436 F442 L453 I455 D462 S480 C481 L483 | L415-Y466 VanDerWaalsContact CD1-CB 3.45Å; L415-Y466 HydrophobicContact CD1-CD1 4.13Å; L415-Y466 HydrophobicContact CD1-CD2 4.21Å; L415-Y466 HydrophobicContact CD1-CG 3.67Å; M430-Y466 CarbonylContact O-C 3.59Å; M430-Y466 WeakPolarHBondContact O-CA 3.25Å; K431-Y466 HydrophobicContact CB-CD1 4.15Å; K431-Y466 HydrophobicContact CB-CE1 3.86Å; K431-Y466 HydrophobicContact CD-CE1 4.02Å; K431-Y466 WeakPolarHBondContact CD-OH 3.23Å; K431-Y466 WeakPolarHBondContact CE-OH 3.32Å; K431-Y466 HydrophobicContact CG-CD1 4.36Å; K431-Y466 HydrophobicContact CG-CE1 3.83Å; K431-Y466 HydrophobicContact CG-CE2 4.27Å; I436-Y466 HydrophobicContact CD1-CD1 4.12Å; I436-Y466 HydrophobicContact CD1-CE1 4.06Å; F442-Y466 HydrophobicContact CE1-CE1 4.01Å; L453-Y466 HydrophobicContact CD2-CD1 3.61Å; L453-Y466 HydrophobicContact CD2-CE1 4.01Å; I455-Y466 HydrophobicContact CD1-CD1 4.3Å; I455-Y466 HydrophobicContact CD1-CE1 3.7Å; I455-Y466 HydrophobicContact CD1-CE2 4.06Å; I455-Y466 HydrophobicContact CG1-CE1 4.4Å; D462-Y466 VanDerWaalsContact O-CE2 3.28Å; D462-Y466 WeakPolarHBondContact O-CE2 3.08Å; D462-Y466 PolarHBondContact O-OH 3.13Å; Y466-S480 CarbonylContact O-C 3.57Å; Y466-S480 WeakPolarHBondContact O-CA 3.4Å; Y466-C481 PolarHBondContact N-O 2.67Å; Y466-C481 PolarHBondContact O-N 2.96Å; Y466-L483 HydrophobicContact CD2-CB 3.77Å; Y466-L483 HydrophobicContact CD2-CD2 4.36Å; Y466-L483 HydrophobicContact CE2-CB 3.73Å; Y466-L483 HydrophobicContact CE2-CD2 3.68Å; Y466-L483 HydrophobicContact CE2-CG 4.37Å |
| 467 | S | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.7 | -178.7 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | W429 M430 I479 S480 | W429-S467 WeakPolarHBondContact CA-O 3.4Å; M430-S467 PolarHBondContact N-O 2.89Å; M430-S467 PolarHBondContact O-N 2.74Å; S467-I479 CarbonylContact C-O 3.5Å; S467-I479 WeakPolarHBondContact CA-O 3.25Å; S467-S480 WeakPolarHBondContact CB-OG 3.46Å; S467-S480 PolarHBondContact OG-OG 2.58Å |
| 468 | C | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.6 | 170.8 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | F398 L402 C417 W429 I478 I479 | F398-C468 HydrophobicContact CE1-CB 4.21Å; F398-C468 WeakPolarHBondContact CE2-O 3.38Å; F398-C468 HydrophobicContact CZ-CB 4.01Å; F398-C468 VanDerWaalsContact CZ-O 3.29Å; F398-C468 WeakPolarHBondContact CZ-O 3.37Å; L402-C468 HydrophobicContact CD1-CB 4.21Å; C417-C468 VanDerWaalsContact SG-SG 3.66Å; W429-C468 HydrophobicContact CD2-CB 4.16Å; W429-C468 HydrophobicContact CE3-CB 3.89Å; W429-C468 HydrophobicContact CH2-CB 3.86Å; W429-C468 HydrophobicContact CZ2-CB 4.07Å; W429-C468 HydrophobicContact CZ3-CB 3.75Å; C468-I478 WeakPolarHBondContact O-CA 3.31Å; C468-I479 HydrophobicContact CB-CG1 4.1Å; C468-I479 PolarHBondContact N-O 3.17Å; C468-I479 PolarHBondContact O-N 2.78Å; C468-I479 VanDerWaalsContact O-N 3.11Å |
| 469 | R | 97 | Very high | 94.3 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.1 | 175.4 | 176.4 | 174.9 | -178.7 | -152.5 | 13.6 | 109.5 | I427 E428 M430 E476 A477 I478 | I427-R469 CarbonylContact C-O 3.6Å; I427-R469 WeakPolarHBondContact CA-O 3.2Å; E428-R469 HydrophobicContact CB-CB 4.4Å; E428-R469 PolarHBondContact N-O 3.22Å; E428-R469 PolarHBondContact O-N 2.9Å; E428-R469 IonicContact OE2-NH1 3.08Å; E428-R469 PolarHBondContact OE2-NH1 3.1Å; E428-R469 VanDerWaalsContact OE2-NH1 3.08Å; M430-R469 HydrophobicContact CE-CB 3.62Å; R469-E476 IonicContact CZ-OE2 3.28Å; R469-E476 VanDerWaalsContact CZ-OE2 3.28Å; R469-E476 IonicContact NE-OE2 3.01Å; R469-E476 PolarHBondContact NE-OE2 2.85Å; R469-E476 IonicContact NH2-OE2 2.69Å; R469-E476 PolarHBondContact NH2-OE2 3.34Å; R469-A477 WeakPolarHBondContact CA-O 3.39Å; R469-I478 HydrophobicContact CB-CD1 4.42Å; R469-I478 HydrophobicContact CB-CG1 3.94Å; R469-I478 HydrophobicContact CG-CD1 4.17Å; R469-I478 HydrophobicContact CG-CG1 3.83Å |
| 470 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | P396 F398 V419 P425 K426 I427 E476 A477 | P396-A470 HydrophobicContact CB-CB 3.67Å; P396-A470 HydrophobicContact CG-CB 4.39Å; P396-A470 WeakPolarHBondContact CG-O 3.26Å; F398-A470 HydrophobicContact CE2-CB 4.1Å; F398-A470 HydrophobicContact CZ-CB 3.84Å; V419-A470 HydrophobicContact CG2-CB 3.69Å; P425-A470 HydrophobicContact CB-CB 3.94Å; K426-A470 WeakPolarHBondContact O-CA 3.31Å; I427-A470 HydrophobicContact CD1-CB 3.65Å; A470-E476 CarbonylContact O-C 3.54Å; A470-E476 WeakPolarHBondContact O-CA 3.49Å; A470-A477 PolarHBondContact N-O 3.44Å; A470-A477 PolarHBondContact O-N 2.97Å |
| 471 | K | 95.8 | Very high | 95.1 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.5 | -178.2 | -175.5 | 176.4 | 179.8 | 178.7 | 0 | 111.4 | P425 K426 G475 E476 | P425-K471 CarbonylContact C-O 3.53Å; P425-K471 WeakPolarHBondContact CA-O 3.37Å; K426-K471 PolarHBondContact N-O 2.85Å; K426-K471 PolarHBondContact O-N 2.83Å; K471-G475 WeakPolarHBondContact CA-O 3.14Å; K471-E476 HydrophobicContact CB-CB 4.31Å; K471-E476 HydrophobicContact CG-CB 4.31Å |
| 472 | N | 93.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | -169.7 | 165.8 | 70.1 | 8.4 | 0 | 0 | 0 | 109.8 | E394 P396 S422 P423 H474 G475 | E394-N472 PolarHBondContact O-ND2 2.88Å; P396-N472 VanDerWaalsContact CD-OD1 3.31Å; P396-N472 WeakPolarHBondContact CD-OD1 3.11Å; P396-N472 HydrophobicContact CG-CB 4.22Å; S422-N472 PolarHBondContact N-ND2 3.15Å; S422-N472 PolarHBondContact O-ND2 2.9Å; P423-N472 VanDerWaalsContact O-CB 3.31Å; P423-N472 WeakPolarHBondContact O-CB 3.38Å; P423-N472 PolarHBondContact O-ND2 2.97Å; N472-H474 PolarHBondContact O-N 3.31Å; N472-H474 WeakPolarHBondContact OD1-CA 3.14Å; N472-H474 PolarHBondContact OD1-N 3.07Å; N472-G475 PolarHBondContact N-O 2.93Å; N472-G475 PolarHBondContact O-N 2.93Å; N472-G475 PolarHBondContact OD1-N 3.25Å; N472-G475 VanDerWaalsContact OD1-N 3.09Å; N472-G475 PolarHBondContact OD1-O 3.15Å |
| 473 | D | 92.5 | Very high | 95.7 | Very high | 143 Ų | 143 | 44.7 Ų | 44.7 | 77% | 0.765 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.5 | -177.3 | -57.9 | -29.1 | 0 | 0 | 0 | 113.6 | ||
| 474 | H | 90.2 | Very high | 95.7 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 39% | 0.394 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.4 | -177.7 | -59 | -67.1 | 0 | 0 | 0 | 114 | N393 A395 P423 N472 | N393-H474 VanDerWaalsContact CB-CD2 3.5Å; N393-H474 WeakPolarHBondContact CB-CD2 3.39Å; N393-H474 VanDerWaalsContact CB-CE1 3.46Å; N393-H474 WeakPolarHBondContact CB-CE1 3.35Å; N393-H474 WeakPolarHBondContact CB-NE2 3.38Å; N393-H474 PolarHBondContact OD1-NE2 3.38Å; A395-H474 HydrophobicContact CB-CB 4.45Å; P423-H474 WeakPolarHBondContact CD-CD2 3.12Å; N472-H474 PolarHBondContact O-N 3.31Å; N472-H474 WeakPolarHBondContact OD1-CA 3.14Å; N472-H474 PolarHBondContact OD1-N 3.07Å |
| 475 | G | 93 | Very high | 95.6 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | -167.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P396 K471 N472 | P396-G475 VanDerWaalsContact CD-C 3.45Å; P396-G475 WeakPolarHBondContact CD-O 3.26Å; K471-G475 WeakPolarHBondContact CA-O 3.14Å; N472-G475 PolarHBondContact N-O 2.93Å; N472-G475 PolarHBondContact O-N 2.93Å; N472-G475 PolarHBondContact OD1-N 3.25Å; N472-G475 VanDerWaalsContact OD1-N 3.09Å; N472-G475 PolarHBondContact OD1-O 3.15Å |
| 476 | E | 95.9 | Very high | 95.2 | Very high | 105 Ų | 105 | 50.7 Ų | 50.7 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149 | 176.8 | 63.4 | -179.4 | -175.2 | 0 | 0 | 111.3 | R469 A470 K471 | R469-E476 IonicContact CZ-OE2 3.28Å; R469-E476 VanDerWaalsContact CZ-OE2 3.28Å; R469-E476 IonicContact NE-OE2 3.01Å; R469-E476 PolarHBondContact NE-OE2 2.85Å; R469-E476 IonicContact NH2-OE2 2.69Å; R469-E476 PolarHBondContact NH2-OE2 3.34Å; A470-E476 CarbonylContact O-C 3.54Å; A470-E476 WeakPolarHBondContact O-CA 3.49Å; K471-E476 HydrophobicContact CB-CB 4.31Å; K471-E476 HydrophobicContact CG-CB 4.31Å |
| 477 | A | 96.4 | Very high | 94.5 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P396 F398 R469 A470 | P396-A477 HydrophobicContact CB-CB 4.45Å; P396-A477 WeakPolarHBondContact O-CB 3.39Å; F398-A477 HydrophobicContact CD2-CB 3.92Å; F398-A477 HydrophobicContact CE2-CB 4Å; R469-A477 WeakPolarHBondContact CA-O 3.39Å; A470-A477 PolarHBondContact N-O 3.44Å; A470-A477 PolarHBondContact O-N 2.97Å |
| 478 | I | 97.3 | Very high | 93.4 | Very high | 84 Ų | 84 | 61 Ų | 61 | 43% | 0.431 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 131.4 | 178.5 | -54.5 | 178 | 0 | 0 | 0 | 108.1 | M430 C468 R469 | M430-I478 HydrophobicContact CE-CD1 4.49Å; M430-I478 HydrophobicContact CE-CG2 4.25Å; C468-I478 WeakPolarHBondContact O-CA 3.31Å; R469-I478 HydrophobicContact CB-CD1 4.42Å; R469-I478 HydrophobicContact CB-CG1 3.94Å; R469-I478 HydrophobicContact CG-CD1 4.17Å; R469-I478 HydrophobicContact CG-CG1 3.83Å |
| 479 | I | 97.1 | Very high | 92 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.7 | 168 | 55.3 | 174.2 | 0 | 0 | 0 | 109.1 | F398 L402 C417 S467 C468 | F398-I479 HydrophobicContact CB-CD1 3.95Å; F398-I479 HydrophobicContact CB-CG2 3.9Å; F398-I479 HydrophobicContact CD1-CD1 3.26Å; F398-I479 HydrophobicContact CD1-CG1 3.88Å; F398-I479 HydrophobicContact CD2-CB 4.23Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CD2-CG1 3.81Å; F398-I479 HydrophobicContact CD2-CG2 3.57Å; F398-I479 HydrophobicContact CE1-CD1 3.63Å; F398-I479 HydrophobicContact CE1-CG1 3.89Å; F398-I479 HydrophobicContact CE2-CB 4.48Å; F398-I479 HydrophobicContact CE2-CD1 4.29Å; F398-I479 HydrophobicContact CE2-CG1 3.81Å; F398-I479 HydrophobicContact CE2-CG2 4.25Å; F398-I479 HydrophobicContact CG-CB 4.44Å; F398-I479 HydrophobicContact CG-CD1 3.46Å; F398-I479 VanDerWaalsContact CG-CD1 3.46Å; F398-I479 HydrophobicContact CG-CG1 3.83Å; F398-I479 HydrophobicContact CG-CG2 3.81Å; F398-I479 HydrophobicContact CZ-CD1 4.13Å; F398-I479 HydrophobicContact CZ-CG1 3.86Å; L402-I479 HydrophobicContact CD1-CD1 4.35Å; L402-I479 HydrophobicContact CD1-CG1 4.09Å; L402-I479 HydrophobicContact CG-CD1 3.74Å; L402-I479 HydrophobicContact CG-CG1 4.01Å; C417-I479 HydrophobicContact CB-CD1 3.47Å; C417-I479 VanDerWaalsContact CB-CD1 3.47Å; S467-I479 CarbonylContact C-O 3.5Å; S467-I479 WeakPolarHBondContact CA-O 3.25Å; C468-I479 HydrophobicContact CB-CG1 4.1Å; C468-I479 PolarHBondContact N-O 3.17Å; C468-I479 PolarHBondContact O-N 2.78Å; C468-I479 VanDerWaalsContact O-N 3.11Å |
| 480 | S | 97.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 70.1 Ų | 70.1 | 42% | 0.42 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.8 | -178.4 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | Y466 S467 | Y466-S480 CarbonylContact O-C 3.57Å; Y466-S480 WeakPolarHBondContact O-CA 3.4Å; S467-S480 WeakPolarHBondContact CB-OG 3.46Å; S467-S480 PolarHBondContact OG-OG 2.58Å |
| 481 | C | 96.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.027 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 164.2 | 164.1 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | L402 S403 D404 V465 Y466 | L402-C481 HydrophobicContact CB-CB 3.55Å; S403-C481 WeakPolarHBondContact O-CB 3.23Å; S403-C481 PolarHBondContact O-SG 3.26Å; D404-C481 VanDerWaalsContact OD1-CA 3.32Å; D404-C481 WeakPolarHBondContact OD1-CA 3.22Å; D404-C481 WeakPolarHBondContact OD1-CB 3.35Å; V465-C481 CarbonylContact C-O 3.36Å; V465-C481 WeakPolarHBondContact CA-O 3.45Å; Y466-C481 PolarHBondContact N-O 2.67Å; Y466-C481 PolarHBondContact O-N 2.96Å |
| 482 | K | 96.6 | Very high | 86.1 | Confident | 94 Ų | 94 | 77.6 Ų | 77.6 | 41% | 0.409 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.1 | 173.7 | -166.1 | -175.5 | 179.6 | -136.8 | 0 | 110.7 | D404 R405 D484 | D404-K482 WeakPolarHBondContact CA-O 3.13Å; D404-K482 PolarHBondContact OD1-N 3.27Å; R405-K482 PolarHBondContact N-O 3.09Å; K482-D484 WeakPolarHBondContact CE-OD1 3.3Å; K482-D484 VanDerWaalsContact NZ-CG 3.33Å; K482-D484 IonicContact NZ-OD1 3.97Å; K482-D484 PolarHBondContact NZ-OD1 3.27Å; K482-D484 IonicContact NZ-OD2 3.03Å; K482-D484 PolarHBondContact NZ-OD2 3.47Å; K482-D484 VanDerWaalsContact NZ-OD2 3.08Å |
| 483 | L | 96.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.2 | 167.9 | -177.6 | 72 | 0 | 0 | 0 | 109.7 | R405 T407 T413 I455 G463 G464 Y466 V485 | R405-L483 HydrophobicContact CB-CD1 4.36Å; R405-L483 HydrophobicContact CG-CD1 4.45Å; R405-L483 CarbonylContact O-C 3.49Å; R405-L483 WeakPolarHBondContact O-CA 3.5Å; T407-L483 HydrophobicContact CG2-CD1 3.99Å; T407-L483 HydrophobicContact CG2-CG 4.46Å; T413-L483 HydrophobicContact CG2-CD1 4.13Å; T413-L483 HydrophobicContact CG2-CD2 4.08Å; I455-L483 HydrophobicContact CD1-CD2 3.44Å; I455-L483 VanDerWaalsContact CD1-CD2 3.44Å; G463-L483 CarbonylContact C-O 3.55Å; G463-L483 WeakPolarHBondContact CA-O 3.49Å; G464-L483 PolarHBondContact N-O 2.79Å; G464-L483 PolarHBondContact O-N 2.7Å; Y466-L483 HydrophobicContact CD2-CB 3.77Å; Y466-L483 HydrophobicContact CD2-CD2 4.36Å; Y466-L483 HydrophobicContact CE2-CB 3.73Å; Y466-L483 HydrophobicContact CE2-CD2 3.68Å; Y466-L483 HydrophobicContact CE2-CG 4.37Å; L483-V485 HydrophobicContact CD2-CG2 4.22Å; L483-V485 HydrophobicContact CG-CG2 4.28Å |
| 484 | D | 93.8 | Very high | 82.6 | Confident | 67 Ų | 67 | 81.4 Ų | 81.4 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.7 | 172.3 | -73.3 | -43.4 | 0 | 0 | 0 | 110.1 | R405 A406 T407 K482 | R405-D484 PolarHBondContact O-N 3.24Å; A406-D484 CarbonylContact C-O 3.58Å; A406-D484 WeakPolarHBondContact CA-O 3.19Å; A406-D484 HydrophobicContact CB-CB 4.36Å; T407-D484 PolarHBondContact N-O 3.35Å; K482-D484 WeakPolarHBondContact CE-OD1 3.3Å; K482-D484 VanDerWaalsContact NZ-CG 3.33Å; K482-D484 IonicContact NZ-OD1 3.97Å; K482-D484 PolarHBondContact NZ-OD1 3.27Å; K482-D484 IonicContact NZ-OD2 3.03Å; K482-D484 PolarHBondContact NZ-OD2 3.47Å; K482-D484 VanDerWaalsContact NZ-OD2 3.08Å |
| 485 | V | 92.4 | Very high | 80.5 | Confident | 26 Ų | 26 | 87.5 Ų | 87.5 | 16% | 0.158 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 111 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | T407 V409 P458 D462 L483 | T407-V485 HydrophobicContact CG2-CB 4.45Å; T407-V485 HydrophobicContact CG2-CG1 4.36Å; T407-V485 HydrophobicContact CG2-CG2 3.93Å; T407-V485 CarbonylContact O-C 3.52Å; T407-V485 WeakPolarHBondContact O-CA 3.27Å; V409-V485 HydrophobicContact CB-CG1 4.48Å; V409-V485 HydrophobicContact CG2-CG1 3.66Å; P458-V485 HydrophobicContact CB-CG1 4.46Å; P458-V485 HydrophobicContact CB-CG2 4.21Å; D462-V485 HydrophobicContact CB-CG2 4.43Å; L483-V485 HydrophobicContact CD2-CG2 4.22Å; L483-V485 HydrophobicContact CG-CG2 4.28Å |
| 486 | K | 89.8 | Confident | 78.1 | Confident | 131 Ų | 131 | 99.7 Ų | 99.7 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.8 | 180 | -62.8 | -174 | 178.3 | -176.6 | 0 | 110.7 | A406 T407 T408 V409 | A406-K486 HydrophobicContact CB-CD 4.48Å; T407-K486 PolarHBondContact O-N 2.91Å; T408-K486 CarbonylContact C-O 3.49Å; T408-K486 VanDerWaalsContact CA-O 3.27Å; T408-K486 WeakPolarHBondContact CA-O 2.95Å; V409-K486 PolarHBondContact N-O 2.8Å |
| 487 | Q | 83 | Confident | 77.2 | Confident | 136 Ų | 136 | 99.4 Ų | 99.4 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 146.4 | 166.4 | -67.7 | -174.5 | 15.5 | 0 | 0 | 109.6 | V409 N460 A489 | V409-Q487 HydrophobicContact CG2-CG 4.29Å; N460-Q487 PolarHBondContact ND2-NE2 3.41Å; Q487-A489 PolarHBondContact O-N 3.37Å |
| 488 | P | 72.9 | Confident | 76.2 | Confident | 82 Ų | 82 | 103.5 Ų | 103.5 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 131.5 | 170.9 | 23.7 | -30 | 0 | 0 | 0 | 109.1 | T408 I490 | T408-P488 HydrophobicContact CG2-CB 3.96Å; T408-P488 HydrophobicContact CG2-CG 4.34Å; P488-I490 PolarHBondContact O-N 2.87Å |
| 489 | A | 67.2 | Low | 75 | Confident | 95 Ų | 95 | 104.6 Ų | 104.6 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q487 P491 | Q487-A489 PolarHBondContact O-N 3.37Å; A489-P491 WeakPolarHBondContact O-CD 3.34Å |
| 490 | I | 63.7 | Low | 73.7 | Confident | 158 Ų | 158 | 109.1 Ų | 109.1 | 81% | 0.81 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 119 | 165.5 | -56.3 | 171.6 | 0 | 0 | 0 | 105 | P488 D492 | P488-I490 PolarHBondContact O-N 2.87Å; I490-D492 PolarHBondContact O-N 3.01Å |
| 491 | P | 54.4 | Low | 72.2 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124 | 171.9 | -16.6 | 29.9 | 0 | 0 | 0 | 108.2 | A489 A493 | A489-P491 WeakPolarHBondContact O-CD 3.34Å; P491-A493 PolarHBondContact O-N 3.16Å |
| 492 | D | 48.9 | Very low | 70.6 | Confident | 158 Ų | 158 | 119.4 Ų | 119.4 | 85% | 0.845 | 64% | 0.635 | S | S | * | * | trans | -55.7 | 107.8 | 169.4 | -96.7 | -43.1 | 0 | 0 | 0 | 108.1 | I490 D494 | I490-D492 PolarHBondContact O-N 3.01Å; D492-D494 PolarHBondContact O-N 3.37Å | ||
| 493 | A | 56.4 | Low | 68.7 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -79.1 | 59.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P491 | P491-A493 PolarHBondContact O-N 3.16Š|
| 494 | D | 54.9 | Low | 66.6 | Low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | -164.9 | 89.8 | 165.3 | -94.1 | -37.4 | 0 | 0 | 0 | 110.5 | D492 | D492-D494 PolarHBondContact O-N 3.37Š| ||
| 495 | K | 47.7 | Very low | 64.4 | Low | 214 Ų | 214 | 135.8 Ų | 135.8 | 93% | 0.93 | 73% | 0.729 | S | S | * | * | trans | -160.5 | 79.3 | 147.1 | -104.3 | 170.3 | -168.3 | -176.5 | 0 | 106.8 | ||||
| 496 | K | 41.2 | Very low | 61.8 | Low | 282 Ų | 282 | 145.8 Ų | 145.8 | 100% | 1.226 | 78% | 0.781 | S | S | * | * | trans | -82 | 0 | 162.5 | -128.3 | -175.5 | -176 | -175.4 | 0 | 109.2 |
Retrieved 496 of 496 residues in 343.5 ms
(Link to these results)