| 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 | 38.8 | Very low | 40.5 | Very low | 238 Ų | 238 | 167.2 Ų | 167.2 | 100% | 1.172 | 87% | 0.872 | S | S | * | * | 0 | 94.1 | 0 | -69.4 | -162.7 | 178.5 | 0 | 0 | 106.7 | |||||
| 2 | L | 38.5 | Very low | 40.7 | Very low | 178 Ų | 178 | 164.3 Ų | 164.3 | 93% | 0.932 | 87% | 0.868 | S | S | * | * | 70.2 | 121.9 | 88.1 | -81.1 | 169.2 | 0 | 0 | 0 | 113.8 | |||||
| 3 | G | 35.9 | Very low | 40.5 | Very low | 68 Ų | 68 | 164.7 Ų | 164.7 | 70% | 0.701 | 86% | 0.862 | S | S | * | * | trans | 137.3 | 83.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | L | 40.4 | Very low | 40.7 | Very low | 154 Ų | 154 | 168.6 Ų | 168.6 | 81% | 0.806 | 86% | 0.859 | S | S | * | * | 39.8 | 125.5 | 80.7 | -97 | 81.2 | 0 | 0 | 0 | 111.6 | |||||
| 5 | T | 46.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 165.5 Ų | 165.5 | 76% | 0.761 | 86% | 0.855 | S | S | * | * | -162.7 | 141.9 | 62.4 | -45.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 6 | L | 40.8 | Very low | 41.7 | Very low | 152 Ų | 152 | 162.9 Ų | 162.9 | 80% | 0.796 | 85% | 0.852 | S | S | * | * | trans | -55 | 151.8 | 165.1 | -75 | 111 | 0 | 0 | 0 | 113.7 | ||||
| 7 | L | 39.6 | Very low | 41.6 | Very low | 168 Ų | 168 | 167.2 Ų | 167.2 | 88% | 0.88 | 85% | 0.854 | S | S | * | * | 175.8 | 115.3 | 128.6 | -112.5 | 112 | 0 | 0 | 0 | 111.6 | |||||
| 8 | R | 40.8 | Very low | 41.8 | Very low | 255 Ų | 255 | 168 Ų | 168 | 96% | 0.962 | 86% | 0.86 | S | S | * | * | trans | -160.1 | 129.3 | 131.3 | -124.4 | 174.8 | 176.5 | 174.4 | -1.2 | 112 | ||||
| 9 | A | 43.4 | Very low | 42.1 | Very low | 96 Ų | 96 | 166.4 Ų | 166.4 | 79% | 0.793 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 145.2 | -161.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 10 | L | 39.8 | Very low | 42.3 | Very low | 179 Ų | 179 | 167.3 Ų | 167.3 | 94% | 0.937 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 131.8 | 171.4 | -76.2 | 152.7 | 0 | 0 | 0 | 111.4 | ||
| 11 | R | 40.6 | Very low | 42.5 | Very low | 227 Ų | 227 | 165.9 Ų | 165.9 | 86% | 0.857 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 160.4 | 158.1 | -88 | 176.2 | 165.4 | 169 | -4.8 | 110.5 | ||
| 12 | T | 43.2 | Very low | 42.9 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 82% | 0.816 | 84% | 0.837 | S | S | * | * | trans | 106.5 | 94.2 | 156.2 | 71.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 13 | Q | 37.8 | Very low | 43.4 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | -150.6 | 128.7 | 139.2 | -79.3 | -147.3 | 9 | 0 | 0 | 111.5 | ||||
| 14 | R | 43.4 | Very low | 44.1 | Very low | 219 Ų | 219 | 159.6 Ų | 159.6 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | trans | 81.6 | 111.8 | 157.4 | -63 | 175.9 | -172.3 | -160.7 | -0.9 | 119.9 | ||||
| 15 | P | 46.6 | Very low | 44.2 | Very low | 123 Ų | 123 | 163.6 Ų | 163.6 | 80% | 0.799 | 84% | 0.842 | S | S | * | * | trans | -84.9 | 149.8 | 139.6 | 32.8 | -29.7 | 0 | 0 | 0 | 111.3 | ||||
| 16 | P | 50.5 | Low | 44.3 | Very low | 124 Ų | 124 | 169 Ų | 169 | 81% | 0.805 | 85% | 0.848 | S | S | * | * | trans | -87.1 | 145.3 | 178.1 | 33.9 | -31.4 | 0 | 0 | 0 | 113.3 | ||||
| 17 | R | 40.4 | Very low | 44.7 | Very low | 236 Ų | 236 | 167.8 Ų | 167.8 | 89% | 0.891 | 85% | 0.847 | S | S | * | * | trans | 14.3 | 117.6 | 154.8 | -67.8 | -179.8 | -177.8 | -168.9 | -0.9 | 118.9 | V19 | R17-V19 PolarHBondContact O-N 3.04Š| ||
| 18 | L | 45.3 | Very low | 45.1 | Very low | 181 Ų | 181 | 165.2 Ų | 165.2 | 95% | 0.948 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 122.1 | 154.2 | -73.2 | 160.6 | 0 | 0 | 0 | 109.3 | ||
| 19 | V | 46.9 | Very low | 45.3 | Very low | 137 Ų | 137 | 161.6 Ų | 161.6 | 83% | 0.83 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 130 | 171.8 | 174 | 0 | 0 | 0 | 0 | 108.4 | R17 | R17-V19 PolarHBondContact O-N 3.04Š|
| 20 | E | 45.9 | Very low | 45.4 | Very low | 185 Ų | 185 | 162.5 Ų | 162.5 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 138.2 | 176 | -81.6 | 166.5 | 128.4 | 0 | 0 | 113.2 | A22 | E20-A22 PolarHBondContact O-N 2.84Š|
| 21 | T | 47.3 | Very low | 45.9 | Very low | 138 Ų | 138 | 158.5 Ų | 158.5 | 85% | 0.847 | 83% | 0.832 | S | S | * | * | trans | -64.2 | 115.9 | 167.8 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | A | 47.3 | Very low | 46.3 | Very low | 90 Ų | 90 | 152.4 Ų | 152.4 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | -76.3 | 137.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E20 | E20-A22 PolarHBondContact O-N 2.84Š| ||
| 23 | P | 48.4 | Very low | 46.3 | Very low | 124 Ų | 124 | 156.6 Ų | 156.6 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | trans | -76.9 | 136.7 | 180 | 29.9 | -32.6 | 0 | 0 | 0 | 111.6 | R25 | P23-R25 PolarHBondContact O-N 2.94Å; P23-R25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | V | 51.1 | Low | 46.7 | Very low | 137 Ų | 137 | 159.6 Ų | 159.6 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -60.5 | 110 | 171.8 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | R26 | V24-R26 PolarHBondContact O-N 2.93Š| ||
| 25 | R | 42.3 | Very low | 46.9 | Very low | 238 Ų | 238 | 155.9 Ų | 155.9 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | trans | -63.9 | 110.8 | 169.2 | -96.6 | -177.4 | 168.2 | -165.3 | -2.6 | 109.3 | P23 V27 | P23-R25 PolarHBondContact O-N 2.94Å; P23-R25 VanDerWaalsContact O-N 3.12Å; R25-V27 PolarHBondContact O-N 3.03Å | ||
| 26 | R | 48.5 | Very low | 47 | Very low | 237 Ų | 237 | 155.1 Ų | 155.1 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73 | 116.6 | 161.9 | -70.8 | -173.4 | -174 | -142.2 | 1.9 | 108.3 | V24 | V24-R26 PolarHBondContact O-N 2.93Š|
| 27 | V | 49.4 | Very low | 47.5 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 125.6 | 167.9 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | R25 L29 | R25-V27 PolarHBondContact O-N 3.03Å; V27-L29 PolarHBondContact O-N 3.29Å |
| 28 | P | 47.8 | Very low | 48.2 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 126.2 | 170.9 | 28.2 | -29.5 | 0 | 0 | 0 | 108.9 | S30 | P28-S30 PolarHBondContact O-N 2.93Å; P28-S30 VanDerWaalsContact O-N 3.13Å |
| 29 | L | 45.9 | Very low | 48.4 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | trans | -60.4 | 112.2 | 168.2 | -75.2 | 159 | 0 | 0 | 0 | 108.1 | V27 A31 | V27-L29 PolarHBondContact O-N 3.29Å; L29-A31 PolarHBondContact O-N 3.35Å | ||
| 30 | S | 45.5 | Very low | 48.4 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 130.4 | 174.8 | 75 | 0 | 0 | 0 | 0 | 109.6 | P28 S32 | P28-S30 PolarHBondContact O-N 2.93Å; P28-S30 VanDerWaalsContact O-N 3.13Å; S30-S32 PolarHBondContact O-N 2.91Å |
| 31 | A | 50.7 | Low | 49.1 | Very low | 95 Ų | 95 | 148 Ų | 148 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 125.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L29 R33 | L29-A31 PolarHBondContact O-N 3.35Å; A31-R33 PolarHBondContact O-N 2.79Å |
| 32 | S | 47.2 | Very low | 49 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65 | 119 | 169.9 | 39.4 | 0 | 0 | 0 | 0 | 109.5 | S30 W34 | S30-S32 PolarHBondContact O-N 2.91Å; S32-W34 PolarHBondContact O-N 3.08Å |
| 33 | R | 44.6 | Very low | 49.5 | Very low | 221 Ų | 221 | 148.7 Ų | 148.7 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68 | 116.7 | 176.5 | -156.4 | 173.4 | -162.1 | -120.1 | 3.8 | 108.5 | A31 L35 | A31-R33 PolarHBondContact O-N 2.79Å; R33-L35 PolarHBondContact O-N 3.28Å |
| 34 | W | 45.5 | Very low | 49.9 | Very low | 232 Ų | 232 | 148.4 Ų | 148.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 113.6 | 173.6 | -71.3 | 68.8 | 0 | 0 | 0 | 109 | S32 | S32-W34 PolarHBondContact O-N 3.08Š| ||
| 35 | L | 48.5 | Very low | 50.3 | Low | 140 Ų | 140 | 152.5 Ų | 152.5 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -118.6 | 106 | 160.9 | -82 | 162.9 | 0 | 0 | 0 | 106.6 | R33 | R33-L35 PolarHBondContact O-N 3.28Š| ||
| 36 | S | 48.6 | Very low | 51.2 | Low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 127.5 | 172.4 | -49.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 37 | P | 59.6 | Low | 51.8 | Low | 112 Ų | 112 | 142.4 Ų | 142.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86 | 150.5 | 164.9 | 32.9 | -28.2 | 0 | 0 | 0 | 109.9 | ||
| 38 | P | 55.8 | Low | 52.2 | Low | 115 Ų | 115 | 146.7 Ų | 146.7 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 144.8 | 168.7 | 29.9 | -25.5 | 0 | 0 | 0 | 108.7 | ||
| 39 | C | 49 | Very low | 52.8 | Low | 106 Ų | 106 | 148.9 Ų | 148.9 | 72% | 0.716 | 79% | 0.794 | S | S | * | * | trans | -28.4 | 143.4 | 168.9 | 39.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 40 | W | 48.2 | Very low | 53.5 | Low | 243 Ų | 243 | 146.4 Ų | 146.4 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | -166.8 | 149.5 | 118.6 | -90.5 | 23.6 | 0 | 0 | 0 | 109.1 | |||||
| 41 | T | 60 | Low | 54.3 | Low | 137 Ų | 137 | 147.1 Ų | 147.1 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 119.6 | -158.6 | 48.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 42 | C | 46.2 | Very low | 54.7 | Low | 103 Ų | 103 | 146.6 Ų | 146.6 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | -145.1 | 133.2 | 156.4 | -81.5 | 0 | 0 | 0 | 0 | 107.6 | V44 | C42-V44 HydrophobicContact CB-CG2 4.1Å; C42-V44 PolarHBondContact O-N 2.8Å | ||
| 43 | P | 55.9 | Low | 54.9 | Low | 139 Ų | 139 | 151.3 Ų | 151.3 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 79.3 | 173.1 | 32.7 | -29.6 | 0 | 0 | 0 | 107.4 | R45 | P43-R45 PolarHBondContact O-N 2.78Š| ||
| 44 | V | 58.2 | Low | 55.4 | Low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 104.6 | 173 | -175.8 | 0 | 0 | 0 | 0 | 106.3 | C42 T46 | C42-V44 HydrophobicContact CB-CG2 4.1Å; C42-V44 PolarHBondContact O-N 2.8Å; V44-T46 PolarHBondContact O-N 3.34Å | ||
| 45 | R | 59.1 | Low | 55.6 | Low | 223 Ų | 223 | 139 Ų | 139 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -55 | 107.1 | 172.4 | -164.1 | 177.4 | -170.7 | -157.6 | 2.9 | 107.5 | P43 L47 | P43-R45 PolarHBondContact O-N 2.78Å; R45-L47 PolarHBondContact O-N 3.13Å | ||
| 46 | T | 61.1 | Low | 55.4 | Low | 114 Ų | 114 | 136 Ų | 136 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 99 | 176.5 | 29.5 | 0 | 0 | 0 | 0 | 108.3 | V44 W48 | V44-T46 PolarHBondContact O-N 3.34Å; T46-W48 PolarHBondContact O-N 3.47Å | ||
| 47 | L | 60.8 | Low | 55.9 | Low | 150 Ų | 150 | 139.2 Ų | 139.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -66.2 | 102.1 | 168.4 | -83.8 | 160.4 | 0 | 0 | 0 | 107.5 | R45 L49 | R45-L47 PolarHBondContact O-N 3.13Å; L47-L49 VanDerWaalsContact C-N 3.26Å; L47-L49 PolarHBondContact O-N 2.82Å | ||
| 48 | W | 59.1 | Low | 55.9 | Low | 217 Ų | 217 | 138.3 Ų | 138.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -66.9 | 92.9 | 162.9 | -85.6 | 71 | 0 | 0 | 0 | 107.7 | T46 N50 | T46-W48 PolarHBondContact O-N 3.47Å; W48-N50 PolarHBondContact O-N 2.87Å | ||
| 49 | L | 59 | Low | 55.7 | Low | 160 Ų | 160 | 141 Ų | 141 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 83.7 | 162.9 | -76 | 162.2 | 0 | 0 | 0 | 106.8 | L47 T51 | L47-L49 VanDerWaalsContact C-N 3.26Å; L47-L49 PolarHBondContact O-N 2.82Å; L49-T51 PolarHBondContact O-N 2.76Å; L49-T51 VanDerWaalsContact O-N 3.08Å | ||
| 50 | N | 61.8 | Low | 55.8 | Low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | trans | -57.9 | 116.7 | 153.8 | -82.3 | -13.6 | 0 | 0 | 0 | 105 | W48 A52 | W48-N50 PolarHBondContact O-N 2.87Å; N50-A52 VanDerWaalsContact C-N 3.26Å; N50-A52 PolarHBondContact O-N 2.78Å | ||
| 51 | T | 61.4 | Low | 55.5 | Low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -54.1 | 103.3 | 162 | 43.1 | 0 | 0 | 0 | 0 | 105.2 | L49 F53 | L49-T51 PolarHBondContact O-N 2.76Å; L49-T51 VanDerWaalsContact O-N 3.08Å; T51-F53 PolarHBondContact O-N 3.46Å | ||
| 52 | A | 59.1 | Low | 55.2 | Low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | trans | -59.5 | 101.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | N50 C54 | N50-A52 VanDerWaalsContact C-N 3.26Å; N50-A52 PolarHBondContact O-N 2.78Å; A52-C54 PolarHBondContact O-N 3.09Å | ||
| 53 | F | 52.1 | Low | 55.7 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | trans | -63.8 | 97.3 | 170.8 | -144.6 | -88.7 | 0 | 0 | 0 | 103.3 | T51 A55 | T51-F53 PolarHBondContact O-N 3.46Å; F53-A55 PolarHBondContact O-N 2.87Å | ||
| 54 | C | 54.9 | Low | 56.2 | Low | 110 Ų | 110 | 133.2 Ų | 133.2 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -51.1 | 113.2 | 174.4 | -71.2 | 0 | 0 | 0 | 0 | 105 | A52 G56 | A52-C54 PolarHBondContact O-N 3.09Å; C54-G56 PolarHBondContact O-N 3.16Å | ||
| 55 | A | 49.1 | Very low | 56.2 | Low | 85 Ų | 85 | 134.5 Ų | 134.5 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | trans | -53.9 | 110 | 178.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | F53 H57 | F53-A55 PolarHBondContact O-N 2.87Å; A55-H57 PolarHBondContact O-N 3.45Å | ||
| 56 | G | 45.1 | Very low | 56.6 | Low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | trans | -67.4 | 22.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | C54 N58 | C54-G56 PolarHBondContact O-N 3.16Å; G56-N58 PolarHBondContact O-N 3.43Å | ||
| 57 | H | 58.9 | Low | 57.4 | Low | 175 Ų | 175 | 128.5 Ų | 128.5 | 81% | 0.81 | 67% | 0.666 | S | S | * | * | trans | -91.8 | 98.6 | 172 | -84.7 | -67.7 | 0 | 0 | 0 | 108.5 | A55 K59 | A55-H57 PolarHBondContact O-N 3.45Å; H57-K59 VanDerWaalsContact C-N 3.28Å; H57-K59 PolarHBondContact O-N 3.26Å | ||
| 58 | N | 60 | Low | 58.2 | Low | 93 Ų | 93 | 122.9 Ų | 122.9 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | trans | -59.3 | 88.8 | 173.1 | -175.1 | -8.7 | 0 | 0 | 0 | 110.3 | G56 W60 S61 K62 | G56-N58 PolarHBondContact O-N 3.43Å; N58-W60 PolarHBondContact O-N 3.11Å; N58-W60 VanDerWaalsContact O-N 3.16Å; N58-W60 WeakPolarHBondContact OD1-CA 3.23Å; N58-W60 VanDerWaalsContact OD1-CB 3.23Å; N58-W60 WeakPolarHBondContact OD1-CB 3.15Å; N58-W60 PolarHBondContact OD1-N 2.91Å; N58-W60 VanDerWaalsContact OD1-N 3.09Å; N58-S61 VanDerWaalsContact CG-OG 3.25Å; N58-S61 PolarHBondContact ND2-OG 3.4Å; N58-S61 PolarHBondContact O-N 3.05Å; N58-S61 PolarHBondContact OD1-N 3.09Å; N58-K62 PolarHBondContact O-N 3.41Å; N58-K62 VanDerWaalsContact O-N 3.14Å | ||
| 59 | K | 50.8 | Low | 59.4 | Low | 172 Ų | 172 | 116.1 Ų | 116.1 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -51.8 | -35 | 174.5 | -176.4 | 178.8 | 178.7 | -179.9 | 0 | 110.8 | H57 K62 V63 | H57-K59 VanDerWaalsContact C-N 3.28Å; H57-K59 PolarHBondContact O-N 3.26Å; K59-K62 PolarHBondContact O-N 2.92Å; K59-V63 HydrophobicContact CG-CG2 4.27Å; K59-V63 VanDerWaalsContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CG2 3.42Å; K59-V63 PolarHBondContact O-N 3.16Å |
| 60 | W | 50.3 | Low | 60.6 | Low | 187 Ų | 187 | 115.4 Ų | 115.4 | 71% | 0.708 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.8 | -41.1 | 177.7 | -175 | -110.9 | 0 | 0 | 0 | 112.8 | N58 V63 K64 | N58-W60 PolarHBondContact O-N 3.11Å; N58-W60 VanDerWaalsContact O-N 3.16Å; N58-W60 WeakPolarHBondContact OD1-CA 3.23Å; N58-W60 VanDerWaalsContact OD1-CB 3.23Å; N58-W60 WeakPolarHBondContact OD1-CB 3.15Å; N58-W60 PolarHBondContact OD1-N 2.91Å; N58-W60 VanDerWaalsContact OD1-N 3.09Å; W60-V63 PolarHBondContact O-N 3.42Å; W60-K64 WeakPolarHBondContact O-CB 3.2Å; W60-K64 PolarHBondContact O-N 2.69Å |
| 61 | S | 43 | Very low | 61.7 | Low | 45 Ų | 45 | 114.3 Ų | 114.3 | 32% | 0.315 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.6 | -44.5 | 173.8 | -72.5 | 0 | 0 | 0 | 0 | 111.6 | N58 K64 H65 | N58-S61 VanDerWaalsContact CG-OG 3.25Å; N58-S61 PolarHBondContact ND2-OG 3.4Å; N58-S61 PolarHBondContact O-N 3.05Å; N58-S61 PolarHBondContact OD1-N 3.09Å; S61-K64 PolarHBondContact O-N 3.18Å; S61-H65 PolarHBondContact O-CD2 3.41Å; S61-H65 PolarHBondContact O-N 3.4Å |
| 62 | K | 53.2 | Low | 62.9 | Low | 154 Ų | 154 | 113.8 Ų | 113.8 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.1 | -43.6 | 178 | -165.6 | 170.3 | -175 | 177.4 | 0 | 111.8 | N58 K59 H65 I66 | N58-K62 PolarHBondContact O-N 3.41Å; N58-K62 VanDerWaalsContact O-N 3.14Å; K59-K62 PolarHBondContact O-N 2.92Å; K62-H65 PolarHBondContact O-N 3.23Å; K62-I66 HydrophobicContact CG-CD1 4Å; K62-I66 WeakPolarHBondContact O-CD1 3.36Å; K62-I66 VanDerWaalsContact O-CG1 3.23Å; K62-I66 WeakPolarHBondContact O-CG1 3.48Å; K62-I66 PolarHBondContact O-N 3.02Å; K62-I66 VanDerWaalsContact O-N 3.13Å |
| 63 | V | 57.3 | Low | 64.2 | Low | 42 Ų | 42 | 112.4 Ų | 112.4 | 26% | 0.255 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | K59 W60 I66 K67 | K59-V63 HydrophobicContact CG-CG2 4.27Å; K59-V63 VanDerWaalsContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CB 3.29Å; K59-V63 WeakPolarHBondContact O-CG2 3.42Å; K59-V63 PolarHBondContact O-N 3.16Å; W60-V63 PolarHBondContact O-N 3.42Å; V63-I66 PolarHBondContact O-N 2.95Å; V63-K67 HydrophobicContact CG1-CD 3.53Å; V63-K67 HydrophobicContact CG1-CG 3.88Å; V63-K67 VanDerWaalsContact O-CB 3.22Å; V63-K67 WeakPolarHBondContact O-CB 3.33Å; V63-K67 WeakPolarHBondContact O-CG 3.4Å; V63-K67 PolarHBondContact O-N 3.42Å |
| 64 | K | 66.1 | Low | 66 | Low | 136 Ų | 136 | 108.5 Ų | 108.5 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.1 | -44.3 | 176.6 | -177.1 | -176.1 | 178.4 | -174.3 | 0 | 111.8 | W60 S61 I66 G68 | W60-K64 WeakPolarHBondContact O-CB 3.2Å; W60-K64 PolarHBondContact O-N 2.69Å; S61-K64 PolarHBondContact O-N 3.18Å; K64-I66 PolarHBondContact O-N 2.86Å; K64-G68 WeakPolarHBondContact O-CA 3.43Å; K64-G68 PolarHBondContact O-N 3.38Å |
| 65 | H | 57.5 | Low | 67.7 | Low | 145 Ų | 145 | 104.8 Ų | 104.8 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -27.1 | 177.4 | -77.6 | -68.4 | 0 | 0 | 0 | 113 | S61 K62 P69 | S61-H65 PolarHBondContact O-CD2 3.41Å; S61-H65 PolarHBondContact O-N 3.4Å; K62-H65 PolarHBondContact O-N 3.23Å; H65-P69 WeakPolarHBondContact O-CD 3.32Å; H65-P69 WeakPolarHBondContact O-CG 3.5Å |
| 66 | I | 69 | Low | 69.6 | Low | 89 Ų | 89 | 104.2 Ų | 104.2 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -89.3 | -44.1 | 178.2 | -63.7 | 165.7 | 0 | 0 | 0 | 111.7 | K62 V63 K64 K70 | K62-I66 HydrophobicContact CG-CD1 4Å; K62-I66 WeakPolarHBondContact O-CD1 3.36Å; K62-I66 VanDerWaalsContact O-CG1 3.23Å; K62-I66 WeakPolarHBondContact O-CG1 3.48Å; K62-I66 PolarHBondContact O-N 3.02Å; K62-I66 VanDerWaalsContact O-N 3.13Å; V63-I66 PolarHBondContact O-N 2.95Å; K64-I66 PolarHBondContact O-N 2.86Å; I66-K70 WeakPolarHBondContact O-CG 3.4Å |
| 67 | K | 76 | Confident | 71.8 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.3 | -37.9 | -177.8 | -70.9 | -169.4 | 178.6 | -174.1 | 0 | 112.7 | V63 K70 D71 | V63-K67 HydrophobicContact CG1-CD 3.53Å; V63-K67 HydrophobicContact CG1-CG 3.88Å; V63-K67 VanDerWaalsContact O-CB 3.22Å; V63-K67 WeakPolarHBondContact O-CB 3.33Å; V63-K67 WeakPolarHBondContact O-CG 3.4Å; V63-K67 PolarHBondContact O-N 3.42Å; K67-K70 PolarHBondContact O-N 3.07Å; K67-K70 VanDerWaalsContact O-N 3.15Å; K67-D71 WeakPolarHBondContact O-CB 3.22Å; K67-D71 VanDerWaalsContact O-CG 3.23Å; K67-D71 PolarHBondContact O-N 3.38Å |
| 68 | G | 78.8 | Confident | 73.4 | Confident | 31 Ų | 31 | 96.4 Ų | 96.4 | 32% | 0.32 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -52.6 | -56.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K64 K70 D71 E72 | K64-G68 WeakPolarHBondContact O-CA 3.43Å; K64-G68 PolarHBondContact O-N 3.38Å; G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.06Å; G68-D71 PolarHBondContact O-N 3.42Å; G68-E72 WeakPolarHBondContact O-CB 3.06Å; G68-E72 PolarHBondContact O-N 3.07Å |
| 69 | P | 84.6 | Confident | 75 | Confident | 75 Ų | 75 | 95.5 Ų | 95.5 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 178.1 | -24.3 | 34.9 | 0 | 0 | 0 | 113.3 | H65 E72 A73 | H65-P69 WeakPolarHBondContact O-CD 3.32Å; H65-P69 WeakPolarHBondContact O-CG 3.5Å; P69-E72 PolarHBondContact O-N 3.24Å; P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 2.98Å |
| 70 | K | 83.2 | Confident | 76.9 | Confident | 146 Ų | 146 | 88.7 Ų | 88.7 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.7 | -43 | 178.8 | -69.9 | -172.3 | 177.1 | -161.2 | 0 | 112.5 | I66 K67 G68 E72 A73 R74 | I66-K70 WeakPolarHBondContact O-CG 3.4Å; K67-K70 PolarHBondContact O-N 3.07Å; K67-K70 VanDerWaalsContact O-N 3.15Å; G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.06Å; K70-E72 VanDerWaalsContact C-N 3.32Å; K70-A73 PolarHBondContact O-N 3.36Å; K70-R74 WeakPolarHBondContact O-CB 3.15Å; K70-R74 PolarHBondContact O-N 3.45Å |
| 71 | D | 84.8 | Confident | 79 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 56% | 0.556 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.9 | -36.1 | 177.6 | -67.9 | -21.7 | 0 | 0 | 0 | 110.3 | K67 G68 G75 | K67-D71 WeakPolarHBondContact O-CB 3.22Å; K67-D71 VanDerWaalsContact O-CG 3.23Å; K67-D71 PolarHBondContact O-N 3.38Å; G68-D71 PolarHBondContact O-N 3.42Å; D71-G75 PolarHBondContact O-N 3.46Å |
| 72 | E | 87.4 | Confident | 81.4 | Confident | 117 Ų | 117 | 79.2 Ų | 79.2 | 55% | 0.547 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 173.3 | -175.1 | 177.9 | 170.3 | 0 | 0 | 111.7 | G68 P69 K70 R74 G75 K76 | G68-E72 WeakPolarHBondContact O-CB 3.06Å; G68-E72 PolarHBondContact O-N 3.07Å; P69-E72 PolarHBondContact O-N 3.24Å; K70-E72 VanDerWaalsContact C-N 3.32Å; E72-R74 VanDerWaalsContact C-N 3.33Å; E72-R74 PolarHBondContact O-N 3.14Å; E72-G75 PolarHBondContact O-N 2.75Å; E72-G75 VanDerWaalsContact O-N 3.13Å; E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 PolarHBondContact O-N 2.72Å; E72-K76 WeakPolarHBondContact OE1-CE 3.47Å; E72-K76 IonicContact OE1-NZ 2.83Å; E72-K76 PolarHBondContact OE1-NZ 3.47Å |
| 73 | A | 86.4 | Confident | 83.3 | Confident | 57 Ų | 57 | 73.1 Ų | 73.1 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P69 K70 G75 K76 M77 | P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 2.98Å; K70-A73 PolarHBondContact O-N 3.36Å; A73-G75 PolarHBondContact O-N 3.32Å; A73-K76 WeakPolarHBondContact O-CB 3.23Å; A73-K76 PolarHBondContact O-N 3.3Å; A73-M77 PolarHBondContact O-N 3.38Å |
| 74 | R | 89.1 | Confident | 85 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.7 | -171.5 | 177.2 | -172.8 | 148.5 | 1 | 112.2 | K70 E72 M77 I78 N113 | K70-R74 WeakPolarHBondContact O-CB 3.15Å; K70-R74 PolarHBondContact O-N 3.45Å; E72-R74 VanDerWaalsContact C-N 3.33Å; E72-R74 PolarHBondContact O-N 3.14Å; R74-M77 PolarHBondContact O-N 2.77Å; R74-I78 HydrophobicContact CG-CD1 4.08Å; R74-I78 VanDerWaalsContact O-CG1 3.29Å; R74-I78 WeakPolarHBondContact O-CG1 3.43Å; R74-I78 PolarHBondContact O-N 3.27Å; R74-N113 PolarHBondContact NH2-O 3.48Å |
| 75 | G | 90.4 | Very high | 86.3 | Confident | 31 Ų | 31 | 66 Ų | 66 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D71 E72 A73 S79 | D71-G75 PolarHBondContact O-N 3.46Å; E72-G75 PolarHBondContact O-N 2.75Å; E72-G75 VanDerWaalsContact O-N 3.13Å; A73-G75 PolarHBondContact O-N 3.32Å; G75-S79 WeakPolarHBondContact O-CB 3.35Å; G75-S79 PolarHBondContact O-N 3.14Å; G75-S79 PolarHBondContact O-OG 3.14Å |
| 76 | K | 90.3 | Very high | 88.1 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 32% | 0.317 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 173 | -70.4 | 175.6 | -178.8 | -176.2 | 0 | 110.5 | E72 A73 I78 S79 K80 D279 | E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 PolarHBondContact O-N 2.72Å; E72-K76 WeakPolarHBondContact OE1-CE 3.47Å; E72-K76 IonicContact OE1-NZ 2.83Å; E72-K76 PolarHBondContact OE1-NZ 3.47Å; A73-K76 WeakPolarHBondContact O-CB 3.23Å; A73-K76 PolarHBondContact O-N 3.3Å; K76-I78 PolarHBondContact O-N 2.71Å; K76-S79 WeakPolarHBondContact O-CB 3.42Å; K76-S79 PolarHBondContact O-N 3.03Å; K76-S79 VanDerWaalsContact O-N 3.11Å; K76-K80 WeakPolarHBondContact O-CG 3.3Å; K76-K80 PolarHBondContact O-N 3.15Å; K76-D279 WeakPolarHBondContact CD-OD1 3.44Å; K76-D279 WeakPolarHBondContact CE-OD1 3.36Å; K76-D279 IonicContact NZ-OD1 2.92Å; K76-D279 PolarHBondContact NZ-OD1 2.82Å; K76-D279 IonicContact NZ-OD2 3.1Å; K76-D279 PolarHBondContact NZ-OD2 3.25Å |
| 77 | M | 90.6 | Very high | 89.2 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.4 | -51.2 | 177.3 | -176.4 | -174.6 | -70.5 | 0 | 0 | 112.1 | A73 R74 S79 K80 F81 K112 E218 | A73-M77 PolarHBondContact O-N 3.38Å; R74-M77 PolarHBondContact O-N 2.77Å; M77-S79 VanDerWaalsContact C-N 3.25Å; M77-S79 PolarHBondContact O-N 3.13Å; M77-K80 PolarHBondContact O-N 3.17Å; M77-K80 VanDerWaalsContact O-N 3.12Å; M77-F81 HydrophobicContact CG-CD2 3.74Å; M77-F81 HydrophobicContact CG-CE2 3.6Å; M77-F81 VanDerWaalsContact O-CD2 3.27Å; M77-F81 WeakPolarHBondContact O-CD2 3.2Å; M77-F81 PolarHBondContact O-N 3.05Å; M77-F81 HydrophobicContact SD-CE2 4.28Å; M77-K112 HydrophobicContact CE-CD 3.93Å; M77-K112 HydrophobicContact CG-CD 4.42Å; M77-K112 HydrophobicContact SD-CB 3.93Å; M77-K112 HydrophobicContact SD-CD 3.57Å; M77-K112 VanDerWaalsContact SD-CD 3.57Å; M77-K112 HydrophobicContact SD-CG 4.38Å; M77-E218 WeakPolarHBondContact CE-OE2 3.5Å |
| 78 | I | 92.9 | Very high | 90 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -41 | 177.7 | -68.8 | 168.4 | 0 | 0 | 0 | 111.1 | R74 K76 F81 G82 I114 | R74-I78 HydrophobicContact CG-CD1 4.08Å; R74-I78 VanDerWaalsContact O-CG1 3.29Å; R74-I78 WeakPolarHBondContact O-CG1 3.43Å; R74-I78 PolarHBondContact O-N 3.27Å; K76-I78 PolarHBondContact O-N 2.71Å; I78-F81 PolarHBondContact O-N 2.95Å; I78-G82 PolarHBondContact O-N 3.03Å; I78-I114 HydrophobicContact CG1-CD1 4.4Å; I78-I114 HydrophobicContact CG1-CG1 4.3Å; I78-I114 HydrophobicContact CG1-CG2 4.22Å |
| 79 | S | 92.4 | Very high | 90.7 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 52% | 0.524 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | G75 K76 M77 G82 M83 | G75-S79 WeakPolarHBondContact O-CB 3.35Å; G75-S79 PolarHBondContact O-N 3.14Å; G75-S79 PolarHBondContact O-OG 3.14Å; K76-S79 WeakPolarHBondContact O-CB 3.42Å; K76-S79 PolarHBondContact O-N 3.03Å; K76-S79 VanDerWaalsContact O-N 3.11Å; M77-S79 VanDerWaalsContact C-N 3.25Å; M77-S79 PolarHBondContact O-N 3.13Å; S79-G82 PolarHBondContact O-N 2.87Å; S79-M83 PolarHBondContact O-N 3.02Å; S79-M83 VanDerWaalsContact O-N 3.11Å |
| 80 | K | 92.2 | Very high | 91 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.4 | -62.1 | -47.3 | -174.5 | -174.2 | 0 | 112.1 | K76 M77 G82 M83 M84 T278 L280 V283 | K76-K80 WeakPolarHBondContact O-CG 3.3Å; K76-K80 PolarHBondContact O-N 3.15Å; M77-K80 PolarHBondContact O-N 3.17Å; M77-K80 VanDerWaalsContact O-N 3.12Å; K80-G82 VanDerWaalsContact C-N 3.27Å; K80-G82 PolarHBondContact O-N 3.19Å; K80-M83 HydrophobicContact CD-CE 3.36Å; K80-M83 WeakPolarHBondContact O-CB 3.45Å; K80-M83 PolarHBondContact O-N 3.33Å; K80-M83 VanDerWaalsContact O-N 3.1Å; K80-M84 PolarHBondContact O-N 3Å; K80-T278 WeakPolarHBondContact CE-O 3.38Å; K80-T278 PolarHBondContact NZ-O 3.12Å; K80-L280 PolarHBondContact NZ-O 3.45Å; K80-V283 PolarHBondContact NZ-O 3.2Å |
| 81 | F | 93.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 174.1 | -80.9 | -76.3 | 0 | 0 | 0 | 112.3 | M77 I78 M83 M84 I85 Q108 C109 K112 I114 | M77-F81 HydrophobicContact CG-CD2 3.74Å; M77-F81 HydrophobicContact CG-CE2 3.6Å; M77-F81 VanDerWaalsContact O-CD2 3.27Å; M77-F81 WeakPolarHBondContact O-CD2 3.2Å; M77-F81 PolarHBondContact O-N 3.05Å; M77-F81 HydrophobicContact SD-CE2 4.28Å; I78-F81 PolarHBondContact O-N 2.95Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.46Å; F81-M84 HydrophobicContact CB-CE 4.34Å; F81-M84 HydrophobicContact CD1-CE 3.34Å; F81-M84 HydrophobicContact CD2-CE 4.29Å; F81-M84 HydrophobicContact CE1-CE 3.53Å; F81-M84 HydrophobicContact CE2-CE 4.43Å; F81-M84 HydrophobicContact CG-CE 3.76Å; F81-M84 HydrophobicContact CZ-CE 4.09Å; F81-M84 PolarHBondContact O-N 3.07Å; F81-I85 WeakPolarHBondContact O-CB 3.47Å; F81-I85 VanDerWaalsContact O-CG1 3.27Å; F81-I85 WeakPolarHBondContact O-CG1 3.46Å; F81-I85 PolarHBondContact O-N 3.28Å; F81-Q108 HydrophobicContact CE1-CB 4Å; F81-C109 WeakPolarHBondContact CD1-SG 3.31Å; F81-K112 HydrophobicContact CE2-CD 3.65Å; F81-K112 HydrophobicContact CZ-CD 3.71Å; F81-K112 HydrophobicContact CZ-CG 4.43Å; F81-I114 HydrophobicContact CB-CD1 3.97Å; F81-I114 HydrophobicContact CD2-CD1 3.35Å; F81-I114 HydrophobicContact CE2-CD1 4Å; F81-I114 HydrophobicContact CG-CD1 3.71Å |
| 82 | G | 93.7 | Very high | 91.3 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I78 S79 K80 R86 | I78-G82 PolarHBondContact O-N 3.03Å; S79-G82 PolarHBondContact O-N 2.87Å; K80-G82 VanDerWaalsContact C-N 3.27Å; K80-G82 PolarHBondContact O-N 3.19Å; G82-R86 WeakPolarHBondContact O-CB 3.43Å; G82-R86 PolarHBondContact O-N 3.49Å |
| 83 | M | 93.2 | Very high | 91.6 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70 | -42.8 | 174.7 | -69.6 | -173.5 | -75.4 | 0 | 0 | 112.7 | S79 K80 F81 R86 I87 L152 V283 V284 | S79-M83 PolarHBondContact O-N 3.02Å; S79-M83 VanDerWaalsContact O-N 3.11Å; K80-M83 HydrophobicContact CD-CE 3.36Å; K80-M83 WeakPolarHBondContact O-CB 3.45Å; K80-M83 PolarHBondContact O-N 3.33Å; K80-M83 VanDerWaalsContact O-N 3.1Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.46Å; M83-R86 WeakPolarHBondContact O-CB 3.26Å; M83-R86 PolarHBondContact O-N 3.09Å; M83-I87 WeakPolarHBondContact O-CG1 3.24Å; M83-I87 PolarHBondContact O-N 3.48Å; M83-L152 HydrophobicContact CB-CD2 4.2Å; M83-L152 HydrophobicContact CG-CD2 4.45Å; M83-V283 WeakPolarHBondContact CE-O 3.48Å; M83-V284 HydrophobicContact CB-CG1 4.49Å; M83-V284 HydrophobicContact CB-CG2 4.12Å; M83-V284 HydrophobicContact SD-CG2 4.2Å |
| 84 | M | 92.7 | Very high | 91.9 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 14% | 0.138 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.3 | -66.7 | -172.5 | -70.4 | 0 | 0 | 111.7 | K80 F81 R86 I87 A88 L105 V284 | K80-M84 PolarHBondContact O-N 3Å; F81-M84 HydrophobicContact CB-CE 4.34Å; F81-M84 HydrophobicContact CD1-CE 3.34Å; F81-M84 HydrophobicContact CD2-CE 4.29Å; F81-M84 HydrophobicContact CE1-CE 3.53Å; F81-M84 HydrophobicContact CE2-CE 4.43Å; F81-M84 HydrophobicContact CG-CE 3.76Å; F81-M84 HydrophobicContact CZ-CE 4.09Å; F81-M84 PolarHBondContact O-N 3.07Å; M84-R86 VanDerWaalsContact C-N 3.33Å; M84-R86 PolarHBondContact O-N 3.34Å; M84-I87 WeakPolarHBondContact O-CB 3.38Å; M84-I87 PolarHBondContact O-N 3.13Å; M84-A88 PolarHBondContact O-N 3.31Å; M84-L105 HydrophobicContact CB-CD1 4.02Å; M84-L105 HydrophobicContact CB-CD2 3.94Å; M84-L105 HydrophobicContact CE-CD2 4.49Å; M84-L105 WeakPolarHBondContact O-CD1 3.34Å; M84-L105 HydrophobicContact SD-CD2 4.31Å; M84-V284 HydrophobicContact CG-CG1 3.62Å |
| 85 | I | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 172.7 | -72.2 | 167.1 | 0 | 0 | 0 | 110 | F81 I87 A88 V89 L102 L105 I119 A122 I123 | F81-I85 WeakPolarHBondContact O-CB 3.47Å; F81-I85 VanDerWaalsContact O-CG1 3.27Å; F81-I85 WeakPolarHBondContact O-CG1 3.46Å; F81-I85 PolarHBondContact O-N 3.28Å; I85-I87 VanDerWaalsContact C-N 3.27Å; I85-I87 PolarHBondContact O-N 3.07Å; I85-A88 PolarHBondContact O-N 2.93Å; I85-V89 HydrophobicContact CG2-CG2 4.05Å; I85-V89 WeakPolarHBondContact O-CB 3.29Å; I85-V89 WeakPolarHBondContact O-CG2 3.25Å; I85-V89 PolarHBondContact O-N 2.95Å; I85-L102 HydrophobicContact CB-CD1 4.49Å; I85-L102 HydrophobicContact CG1-CD1 4.38Å; I85-L102 HydrophobicContact CG2-CD1 3.93Å; I85-L105 HydrophobicContact CG1-CB 4.5Å; I85-I119 HydrophobicContact CD1-CG2 4.17Å; I85-A122 HydrophobicContact CB-CB 4.4Å; I85-A122 HydrophobicContact CD1-CB 4.03Å; I85-A122 HydrophobicContact CG2-CB 4.08Å; I85-I123 HydrophobicContact CG2-CG1 3.69Å |
| 86 | R | 93.5 | Very high | 92 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 27% | 0.272 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.2 | -38.2 | 178.5 | -178.7 | 175.7 | 176.9 | -168 | 0.4 | 112.6 | G82 M83 M84 K90 A126 K130 L152 | G82-R86 WeakPolarHBondContact O-CB 3.43Å; G82-R86 PolarHBondContact O-N 3.49Å; M83-R86 WeakPolarHBondContact O-CB 3.26Å; M83-R86 PolarHBondContact O-N 3.09Å; M84-R86 VanDerWaalsContact C-N 3.33Å; M84-R86 PolarHBondContact O-N 3.34Å; R86-K90 WeakPolarHBondContact O-CB 3.29Å; R86-K90 PolarHBondContact O-N 2.92Å; R86-K90 VanDerWaalsContact O-N 3.12Å; R86-A126 HydrophobicContact CB-CB 4Å; R86-A126 HydrophobicContact CG-CB 3.99Å; R86-K130 PolarHBondContact NH2-O 3.31Å; R86-L152 HydrophobicContact CB-CD2 4.27Å; R86-L152 HydrophobicContact CG-CD2 4.16Å |
| 87 | I | 92.6 | Very high | 92 | Very high | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -54.4 | 173.1 | -74.8 | 167.8 | 0 | 0 | 0 | 110.3 | M83 M84 I85 V89 K90 E91 Q134 L152 V284 | M83-I87 WeakPolarHBondContact O-CG1 3.24Å; M83-I87 PolarHBondContact O-N 3.48Å; M84-I87 WeakPolarHBondContact O-CB 3.38Å; M84-I87 PolarHBondContact O-N 3.13Å; I85-I87 VanDerWaalsContact C-N 3.27Å; I85-I87 PolarHBondContact O-N 3.07Å; I87-V89 VanDerWaalsContact C-N 3.33Å; I87-V89 PolarHBondContact O-N 3.41Å; I87-K90 WeakPolarHBondContact O-CB 3.48Å; I87-K90 PolarHBondContact O-N 3.22Å; I87-K90 VanDerWaalsContact O-N 3.08Å; I87-E91 WeakPolarHBondContact CG2-OE1 3.48Å; I87-E91 PolarHBondContact O-N 3.28Å; I87-E91 VanDerWaalsContact O-N 3.08Å; I87-Q134 HydrophobicContact CD1-CG 4.17Å; I87-Q134 HydrophobicContact CG1-CG 4.11Å; I87-L152 HydrophobicContact CD1-CB 4.37Å; I87-L152 HydrophobicContact CD1-CD1 4.48Å; I87-L152 HydrophobicContact CD1-CD2 4.34Å; I87-L152 HydrophobicContact CG1-CD1 4Å; I87-L152 HydrophobicContact CG1-CD2 3.95Å; I87-L152 HydrophobicContact CG1-CG 4.43Å; I87-V284 HydrophobicContact CD1-CG1 4.21Å; I87-V284 HydrophobicContact CD1-CG2 4.09Å |
| 88 | A | 92.6 | Very high | 92 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | M84 I85 K90 E91 G92 N99 N101 L102 L105 | M84-A88 PolarHBondContact O-N 3.31Å; I85-A88 PolarHBondContact O-N 2.93Å; A88-K90 VanDerWaalsContact C-N 3.33Å; A88-K90 PolarHBondContact O-N 2.7Å; A88-E91 PolarHBondContact O-N 3.1Å; A88-G92 PolarHBondContact O-N 3.48Å; A88-N99 PolarHBondContact O-ND2 2.98Å; A88-N101 HydrophobicContact CB-CB 4.42Å; A88-L102 HydrophobicContact CB-CB 4.25Å; A88-L102 HydrophobicContact CB-CD1 4.44Å; A88-L105 HydrophobicContact CB-CD1 3.69Å |
| 89 | V | 93.5 | Very high | 91.9 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | I85 I87 E91 G93 L102 I123 A126 E127 | I85-V89 HydrophobicContact CG2-CG2 4.05Å; I85-V89 WeakPolarHBondContact O-CB 3.29Å; I85-V89 WeakPolarHBondContact O-CG2 3.25Å; I85-V89 PolarHBondContact O-N 2.95Å; I87-V89 VanDerWaalsContact C-N 3.33Å; I87-V89 PolarHBondContact O-N 3.41Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 2.93Å; V89-G93 WeakPolarHBondContact CA-O 3.26Å; V89-G93 CarbonylContact O-C 3.56Å; V89-G93 WeakPolarHBondContact O-CA 3.28Å; V89-G93 PolarHBondContact O-N 3.39Å; V89-L102 HydrophobicContact CG2-CD1 4.12Å; V89-L102 HydrophobicContact CG2-CD2 4.03Å; V89-I123 HydrophobicContact CG2-CG2 4.38Å; V89-A126 HydrophobicContact CB-CB 3.85Å; V89-A126 HydrophobicContact CG1-CB 3.83Å; V89-A126 HydrophobicContact CG2-CB 4.06Å; V89-E127 HydrophobicContact CG1-CG 4.45Å |
| 90 | K | 90.4 | Very high | 91.7 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 58% | 0.578 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67 | -33.8 | 178.5 | -171.7 | -175.1 | 176.4 | -165.6 | 0 | 112.1 | R86 I87 A88 A132 | R86-K90 WeakPolarHBondContact O-CB 3.29Å; R86-K90 PolarHBondContact O-N 2.92Å; R86-K90 VanDerWaalsContact O-N 3.12Å; I87-K90 WeakPolarHBondContact O-CB 3.48Å; I87-K90 PolarHBondContact O-N 3.22Å; I87-K90 VanDerWaalsContact O-N 3.08Å; A88-K90 VanDerWaalsContact C-N 3.33Å; A88-K90 PolarHBondContact O-N 2.7Å; K90-A132 PolarHBondContact NZ-O 3.33Å |
| 91 | E | 88.9 | Confident | 91.5 | Very high | 114 Ų | 114 | 55.8 Ų | 55.8 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -83.5 | -41.9 | -177.6 | -71 | 171.1 | -173.1 | 0 | 0 | 113.3 | I87 A88 V89 Q134 | I87-E91 WeakPolarHBondContact CG2-OE1 3.48Å; I87-E91 PolarHBondContact O-N 3.28Å; I87-E91 VanDerWaalsContact O-N 3.08Å; A88-E91 PolarHBondContact O-N 3.1Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 2.93Å; E91-Q134 PolarHBondContact OE1-NE2 3.1Å |
| 92 | G | 87.4 | Confident | 91.4 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -125.9 | 5.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A88 N99 | A88-G92 PolarHBondContact O-N 3.48Å; G92-N99 VanDerWaalsContact C-ND2 3.31Å; G92-N99 WeakPolarHBondContact CA-ND2 3.34Å |
| 93 | G | 91.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | trans | 85.5 | 171.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V89 N99 | V89-G93 WeakPolarHBondContact CA-O 3.26Å; V89-G93 CarbonylContact O-C 3.56Å; V89-G93 WeakPolarHBondContact O-CA 3.28Å; V89-G93 PolarHBondContact O-N 3.39Å; G93-N99 PolarHBondContact O-ND2 2.89Å | ||
| 94 | S | 93 | Very high | 91.1 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -85.7 | -9.5 | -170.2 | 54.7 | 0 | 0 | 0 | 0 | 115.7 | P96 L102 I123 E127 | S94-P96 WeakPolarHBondContact O-CD 3.35Å; S94-L102 WeakPolarHBondContact O-CD2 3.47Å; S94-I123 WeakPolarHBondContact O-CG2 3.45Å; S94-E127 WeakPolarHBondContact CB-OE1 3.35Å; S94-E127 PolarHBondContact OG-OE1 3Å |
| 95 | N | 91.6 | Very high | 91 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | trans | -87.1 | 113.8 | -180 | -172 | -6.6 | 0 | 0 | 0 | 110.6 | E97 L98 N99 | N95-E97 PolarHBondContact O-N 3.3Å; N95-E97 PolarHBondContact OD1-N 2.94Å; N95-L98 HydrophobicContact CB-CB 4.38Å; N95-L98 HydrophobicContact CB-CD1 4.21Å; N95-L98 HydrophobicContact CB-CG 4.31Å; N95-L98 PolarHBondContact O-N 3.1Å; N95-N99 WeakPolarHBondContact O-CB 3.33Å; N95-N99 PolarHBondContact O-N 3.4Å; N95-N99 VanDerWaalsContact O-N 3.07Å | ||
| 96 | P | 90.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.2 | 179 | 26.8 | -35.3 | 0 | 0 | 0 | 113.3 | S94 L98 L102 | S94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 2.89Å; P96-L102 HydrophobicContact CB-CD2 4.29Å; P96-L102 HydrophobicContact CB-CG 4.24Å |
| 97 | E | 89.9 | Confident | 90.8 | Very high | 173 Ų | 173 | 55.8 Ų | 55.8 | 81% | 0.808 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.3 | 178.2 | -63.3 | -177.3 | 169.7 | 0 | 0 | 112.8 | N95 | N95-E97 PolarHBondContact O-N 3.3Å; N95-E97 PolarHBondContact OD1-N 2.94Å |
| 98 | L | 90.3 | Very high | 90.6 | Very high | 142 Ų | 142 | 56.7 Ų | 56.7 | 74% | 0.743 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -19.3 | 179.8 | -59.6 | 177.2 | 0 | 0 | 0 | 112.2 | N95 P96 | N95-L98 HydrophobicContact CB-CB 4.38Å; N95-L98 HydrophobicContact CB-CD1 4.21Å; N95-L98 HydrophobicContact CB-CG 4.31Å; N95-L98 PolarHBondContact O-N 3.1Å; P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 2.89Å |
| 99 | N | 92.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | trans | -116.7 | 97.7 | -175.4 | -176.1 | -8.8 | 0 | 0 | 0 | 110.6 | A88 G92 G93 N95 N101 L102 A103 | A88-N99 PolarHBondContact O-ND2 2.98Å; G92-N99 VanDerWaalsContact C-ND2 3.31Å; G92-N99 WeakPolarHBondContact CA-ND2 3.34Å; G93-N99 PolarHBondContact O-ND2 2.89Å; N95-N99 WeakPolarHBondContact O-CB 3.33Å; N95-N99 PolarHBondContact O-N 3.4Å; N95-N99 VanDerWaalsContact O-N 3.07Å; N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.08Å; N99-N101 PolarHBondContact OD1-N 3.13Å; N99-L102 HydrophobicContact CB-CB 3.89Å; N99-L102 WeakPolarHBondContact O-CB 2.96Å; N99-L102 PolarHBondContact O-N 3.47Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 2.85Å; N99-A103 PolarHBondContact O-N 3.26Å | ||
| 100 | I | 87 | Confident | 90.4 | Very high | 97 Ų | 97 | 63.6 Ų | 63.6 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | -177.7 | -59.2 | 171.1 | 0 | 0 | 0 | 111.4 | L102 A103 N104 | I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.94Å; I100-A103 WeakPolarHBondContact O-CB 3.3Å; I100-A103 PolarHBondContact O-N 3.28Å; I100-N104 PolarHBondContact O-N 3Å; I100-N104 PolarHBondContact O-OD1 3.49Å |
| 101 | N | 88.1 | Confident | 90.2 | Very high | 84 Ų | 84 | 60.2 Ų | 60.2 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 178.8 | -69.1 | -9.1 | 0 | 0 | 0 | 111.2 | A88 N99 L105 | A88-N101 HydrophobicContact CB-CB 4.42Å; N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.08Å; N99-N101 PolarHBondContact OD1-N 3.13Å; N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.46Å; N101-L105 VanDerWaalsContact O-N 3.1Å |
| 102 | L | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 175.2 | -178.4 | 61.1 | 0 | 0 | 0 | 111.5 | I85 A88 V89 S94 P96 N99 I100 N104 L105 V106 I123 | I85-L102 HydrophobicContact CB-CD1 4.49Å; I85-L102 HydrophobicContact CG1-CD1 4.38Å; I85-L102 HydrophobicContact CG2-CD1 3.93Å; A88-L102 HydrophobicContact CB-CB 4.25Å; A88-L102 HydrophobicContact CB-CD1 4.44Å; V89-L102 HydrophobicContact CG2-CD1 4.12Å; V89-L102 HydrophobicContact CG2-CD2 4.03Å; S94-L102 WeakPolarHBondContact O-CD2 3.47Å; P96-L102 HydrophobicContact CB-CD2 4.29Å; P96-L102 HydrophobicContact CB-CG 4.24Å; N99-L102 HydrophobicContact CB-CB 3.89Å; N99-L102 WeakPolarHBondContact O-CB 2.96Å; N99-L102 PolarHBondContact O-N 3.47Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 2.85Å; I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.94Å; L102-N104 PolarHBondContact O-N 3.36Å; L102-L105 PolarHBondContact O-N 2.88Å; L102-V106 HydrophobicContact CD1-CG2 4.31Å; L102-V106 HydrophobicContact CG-CG2 4.44Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.42Å; L102-V106 PolarHBondContact O-N 3.42Å; L102-I123 HydrophobicContact CD1-CD1 4.44Å; L102-I123 HydrophobicContact CD1-CG1 4.3Å |
| 103 | A | 91.1 | Very high | 90.3 | Very high | 24 Ų | 24 | 62.4 Ų | 62.4 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N99 I100 L105 V106 E107 | N99-A103 PolarHBondContact O-N 3.26Å; I100-A103 WeakPolarHBondContact O-CB 3.3Å; I100-A103 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.8Å; A103-V106 WeakPolarHBondContact O-CB 3.39Å; A103-V106 PolarHBondContact O-N 2.94Å; A103-V106 VanDerWaalsContact O-N 3.13Å; A103-E107 WeakPolarHBondContact O-CG 3.46Å; A103-E107 PolarHBondContact O-N 3.45Å |
| 104 | N | 88 | Confident | 90.3 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 178.6 | -63.9 | -6.3 | 0 | 0 | 0 | 111.7 | I100 L102 V106 E107 Q108 R237 | I100-N104 PolarHBondContact O-N 3Å; I100-N104 PolarHBondContact O-OD1 3.49Å; L102-N104 PolarHBondContact O-N 3.36Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.35Å; N104-E107 PolarHBondContact O-N 3.38Å; N104-Q108 VanDerWaalsContact O-CG 3.29Å; N104-Q108 WeakPolarHBondContact O-CG 3.14Å; N104-Q108 PolarHBondContact O-N 2.77Å; N104-R237 PolarHBondContact OD1-NH1 3.33Å |
| 105 | L | 91.8 | Very high | 90.3 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 176.1 | -76.4 | 172.5 | 0 | 0 | 0 | 112.3 | M84 I85 A88 N101 L102 A103 E107 Q108 C109 | M84-L105 HydrophobicContact CB-CD1 4.02Å; M84-L105 HydrophobicContact CB-CD2 3.94Å; M84-L105 HydrophobicContact CE-CD2 4.49Å; M84-L105 WeakPolarHBondContact O-CD1 3.34Å; M84-L105 HydrophobicContact SD-CD2 4.31Å; I85-L105 HydrophobicContact CG1-CB 4.5Å; A88-L105 HydrophobicContact CB-CD1 3.69Å; N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.46Å; N101-L105 VanDerWaalsContact O-N 3.1Å; L102-L105 PolarHBondContact O-N 2.88Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.8Å; L105-E107 VanDerWaalsContact C-N 3.35Å; L105-Q108 PolarHBondContact O-N 2.95Å; L105-C109 WeakPolarHBondContact O-CB 3.46Å; L105-C109 PolarHBondContact O-N 3.42Å; L105-C109 PolarHBondContact O-SG 3.47Å |
| 106 | V | 92.9 | Very high | 90.4 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L102 A103 N104 C109 R110 I119 I123 | L102-V106 HydrophobicContact CD1-CG2 4.31Å; L102-V106 HydrophobicContact CG-CG2 4.44Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.42Å; L102-V106 PolarHBondContact O-N 3.42Å; A103-V106 WeakPolarHBondContact O-CB 3.39Å; A103-V106 PolarHBondContact O-N 2.94Å; A103-V106 VanDerWaalsContact O-N 3.13Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.35Å; V106-C109 PolarHBondContact O-N 3.48Å; V106-R110 WeakPolarHBondContact O-CG 3.38Å; V106-R110 PolarHBondContact O-N 3Å; V106-R110 VanDerWaalsContact O-N 3.09Å; V106-I119 HydrophobicContact CG1-CG2 4.42Å; V106-I119 HydrophobicContact CG2-CG2 3.88Å; V106-I123 HydrophobicContact CG2-CD1 4.4Å |
| 107 | E | 90 | Very high | 90.6 | Very high | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 173.4 | -72.4 | 172.6 | 178.9 | 0 | 0 | 111.4 | A103 N104 L105 C109 R110 S111 R237 | A103-E107 WeakPolarHBondContact O-CG 3.46Å; A103-E107 PolarHBondContact O-N 3.45Å; N104-E107 PolarHBondContact O-N 3.38Å; L105-E107 VanDerWaalsContact C-N 3.35Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 2.93Å; E107-R110 WeakPolarHBondContact O-CB 3.43Å; E107-R110 PolarHBondContact O-N 2.91Å; E107-S111 PolarHBondContact O-N 3.38Å; E107-R237 IonicContact OE2-NH2 3.37Å; E107-R237 PolarHBondContact OE2-NH2 3.15Å; E107-R237 VanDerWaalsContact OE2-NH2 3.1Å |
| 108 | Q | 88.9 | Confident | 90.9 | Very high | 36 Ų | 36 | 61.5 Ų | 61.5 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 175.1 | -70.1 | 175.9 | 29.8 | 0 | 0 | 112.9 | F81 N104 L105 R110 S111 K112 | F81-Q108 HydrophobicContact CE1-CB 4Å; N104-Q108 VanDerWaalsContact O-CG 3.29Å; N104-Q108 WeakPolarHBondContact O-CG 3.14Å; N104-Q108 PolarHBondContact O-N 2.77Å; L105-Q108 PolarHBondContact O-N 2.95Å; Q108-R110 VanDerWaalsContact C-N 3.26Å; Q108-R110 PolarHBondContact O-N 2.9Å; Q108-S111 WeakPolarHBondContact CA-OG 3.35Å; Q108-S111 PolarHBondContact O-N 3.45Å; Q108-S111 PolarHBondContact O-OG 2.84Å; Q108-K112 PolarHBondContact O-N 3.38Å; Q108-K112 VanDerWaalsContact O-N 3.07Å |
| 109 | C | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 174.5 | -70.5 | 0 | 0 | 0 | 0 | 111.1 | F81 L105 V106 E107 N113 I114 I119 | F81-C109 WeakPolarHBondContact CD1-SG 3.31Å; L105-C109 WeakPolarHBondContact O-CB 3.46Å; L105-C109 PolarHBondContact O-N 3.42Å; L105-C109 PolarHBondContact O-SG 3.47Å; V106-C109 PolarHBondContact O-N 3.48Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 2.93Å; C109-N113 PolarHBondContact O-N 2.87Å; C109-I114 HydrophobicContact CB-CB 4.09Å; C109-I114 HydrophobicContact CB-CD1 4.09Å; C109-I114 HydrophobicContact CB-CG1 4.49Å; C109-I114 VanDerWaalsContact O-CB 3.26Å; C109-I114 WeakPolarHBondContact O-CB 3.37Å; C109-I114 PolarHBondContact O-N 2.72Å; C109-I119 HydrophobicContact CB-CD1 3.46Å; C109-I119 VanDerWaalsContact CB-CD1 3.46Å; C109-I119 HydrophobicContact CB-CG1 3.88Å |
| 110 | R | 90.5 | Very high | 91.2 | Very high | 157 Ų | 157 | 57.5 Ų | 57.5 | 59% | 0.592 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 178 | -69.2 | 171.9 | -169.3 | 178.1 | 6.7 | 111.6 | V106 E107 Q108 K112 N113 | V106-R110 WeakPolarHBondContact O-CG 3.38Å; V106-R110 PolarHBondContact O-N 3Å; V106-R110 VanDerWaalsContact O-N 3.09Å; E107-R110 WeakPolarHBondContact O-CB 3.43Å; E107-R110 PolarHBondContact O-N 2.91Å; Q108-R110 VanDerWaalsContact C-N 3.26Å; Q108-R110 PolarHBondContact O-N 2.9Å; R110-K112 VanDerWaalsContact C-N 3.29Å; R110-K112 PolarHBondContact O-N 3.05Å; R110-N113 PolarHBondContact O-N 2.89Å |
| 111 | S | 86.2 | Confident | 91.6 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | E107 Q108 N113 | E107-S111 PolarHBondContact O-N 3.38Å; Q108-S111 WeakPolarHBondContact CA-OG 3.35Å; Q108-S111 PolarHBondContact O-N 3.45Å; Q108-S111 PolarHBondContact O-OG 2.84Å; S111-N113 PolarHBondContact O-N 3.23Å |
| 112 | K | 87.6 | Confident | 91.8 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 16.7 | 172.6 | -62 | -157.6 | -176.9 | -169.1 | 0 | 114.8 | M77 F81 Q108 R110 I114 E218 | M77-K112 HydrophobicContact CE-CD 3.93Å; M77-K112 HydrophobicContact CG-CD 4.42Å; M77-K112 HydrophobicContact SD-CB 3.93Å; M77-K112 HydrophobicContact SD-CD 3.57Å; M77-K112 VanDerWaalsContact SD-CD 3.57Å; M77-K112 HydrophobicContact SD-CG 4.38Å; F81-K112 HydrophobicContact CE2-CD 3.65Å; F81-K112 HydrophobicContact CZ-CD 3.71Å; F81-K112 HydrophobicContact CZ-CG 4.43Å; Q108-K112 PolarHBondContact O-N 3.38Å; Q108-K112 VanDerWaalsContact O-N 3.07Å; R110-K112 VanDerWaalsContact C-N 3.29Å; R110-K112 PolarHBondContact O-N 3.05Å; K112-I114 HydrophobicContact CB-CG1 4.49Å; K112-I114 PolarHBondContact O-N 2.94Å; K112-E218 IonicContact NZ-OE1 2.98Å; K112-E218 PolarHBondContact NZ-OE1 2.94Å |
| 113 | N | 89.1 | Confident | 91.9 | Very high | 118 Ų | 118 | 52.6 Ų | 52.6 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 31.3 | 177.5 | -63.6 | -68.5 | 0 | 0 | 0 | 114.4 | R74 C109 R110 S111 | R74-N113 PolarHBondContact NH2-O 3.48Å; C109-N113 PolarHBondContact O-N 2.87Å; R110-N113 PolarHBondContact O-N 2.89Å; S111-N113 PolarHBondContact O-N 3.23Å |
| 114 | I | 92.3 | Very high | 92 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | trans | -73.2 | 131.5 | 175.7 | -62.4 | -179.5 | 0 | 0 | 0 | 109.4 | I78 F81 C109 K112 K116 I119 | I78-I114 HydrophobicContact CG1-CD1 4.4Å; I78-I114 HydrophobicContact CG1-CG1 4.3Å; I78-I114 HydrophobicContact CG1-CG2 4.22Å; F81-I114 HydrophobicContact CB-CD1 3.97Å; F81-I114 HydrophobicContact CD2-CD1 3.35Å; F81-I114 HydrophobicContact CE2-CD1 4Å; F81-I114 HydrophobicContact CG-CD1 3.71Å; C109-I114 HydrophobicContact CB-CB 4.09Å; C109-I114 HydrophobicContact CB-CD1 4.09Å; C109-I114 HydrophobicContact CB-CG1 4.49Å; C109-I114 VanDerWaalsContact O-CB 3.26Å; C109-I114 WeakPolarHBondContact O-CB 3.37Å; C109-I114 PolarHBondContact O-N 2.72Å; K112-I114 HydrophobicContact CB-CG1 4.49Å; K112-I114 PolarHBondContact O-N 2.94Å; I114-K116 PolarHBondContact O-N 2.94Å; I114-I119 HydrophobicContact CG2-CD1 4.49Å; I114-I119 HydrophobicContact CG2-CG1 3.95Å | ||
| 115 | P | 93.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | trans | -59.9 | 135.1 | 179.1 | -23.4 | 33.6 | 0 | 0 | 0 | 112.3 | A117 S118 I119 | P115-A117 PolarHBondContact O-N 3.43Å; P115-A117 VanDerWaalsContact O-N 3.16Å; P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.31Å; P115-I119 PolarHBondContact O-N 2.89Å | ||
| 116 | K | 94.3 | Very high | 92.1 | Very high | 145 Ų | 145 | 62.1 Ų | 62.1 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -52.6 | -39.6 | 177.7 | -175 | 178.9 | 176.9 | 178.9 | 0 | 112.9 | I114 S118 I119 D120 | I114-K116 PolarHBondContact O-N 2.94Å; K116-S118 PolarHBondContact O-N 3.46Å; K116-I119 WeakPolarHBondContact O-CB 3.45Å; K116-I119 PolarHBondContact O-N 2.79Å; K116-I119 VanDerWaalsContact O-N 3.11Å; K116-D120 PolarHBondContact O-N 2.97Å |
| 117 | A | 94.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.2 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P115 A121 | P115-A117 PolarHBondContact O-N 3.43Å; P115-A117 VanDerWaalsContact O-N 3.16Å; A117-A121 WeakPolarHBondContact O-CB 3.45Å; A117-A121 PolarHBondContact O-N 3.37Å |
| 118 | S | 95.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 71 Ų | 71 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.4 | -38.5 | 176.7 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | P115 K116 A121 A122 | P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.31Å; K116-S118 PolarHBondContact O-N 3.46Å; S118-A121 PolarHBondContact O-N 3.5Å; S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.31Å |
| 119 | I | 95.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.7 | -51.1 | 176.6 | -56.4 | 172.2 | 0 | 0 | 0 | 109.8 | I85 V106 C109 I114 P115 K116 A121 A122 I123 | I85-I119 HydrophobicContact CD1-CG2 4.17Å; V106-I119 HydrophobicContact CG1-CG2 4.42Å; V106-I119 HydrophobicContact CG2-CG2 3.88Å; C109-I119 HydrophobicContact CB-CD1 3.46Å; C109-I119 VanDerWaalsContact CB-CD1 3.46Å; C109-I119 HydrophobicContact CB-CG1 3.88Å; I114-I119 HydrophobicContact CG2-CD1 4.49Å; I114-I119 HydrophobicContact CG2-CG1 3.95Å; P115-I119 PolarHBondContact O-N 2.89Å; K116-I119 WeakPolarHBondContact O-CB 3.45Å; K116-I119 PolarHBondContact O-N 2.79Å; K116-I119 VanDerWaalsContact O-N 3.11Å; I119-A121 VanDerWaalsContact C-N 3.27Å; I119-A121 PolarHBondContact O-N 3.31Å; I119-A122 WeakPolarHBondContact O-CB 2.98Å; I119-A122 PolarHBondContact O-N 3.37Å; I119-A122 VanDerWaalsContact O-N 3.09Å; I119-I123 HydrophobicContact CG2-CD1 4.15Å; I119-I123 WeakPolarHBondContact O-CG1 3.32Å; I119-I123 PolarHBondContact O-N 3.26Å |
| 120 | D | 94.4 | Very high | 90.8 | Very high | 64 Ų | 64 | 79 Ų | 79 | 34% | 0.342 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 179.5 | -65.2 | -18.1 | 0 | 0 | 0 | 111.4 | K116 K124 | K116-D120 PolarHBondContact O-N 2.97Å; D120-K124 WeakPolarHBondContact O-CB 3.22Å; D120-K124 VanDerWaalsContact O-CG 3.3Å; D120-K124 WeakPolarHBondContact O-CG 3.45Å; D120-K124 PolarHBondContact O-N 2.55Å; D120-K124 VanDerWaalsContact O-N 3.07Å |
| 121 | A | 94.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 77.1 Ų | 77.1 | 34% | 0.339 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A117 S118 I119 K124 N125 | A117-A121 WeakPolarHBondContact O-CB 3.45Å; A117-A121 PolarHBondContact O-N 3.37Å; S118-A121 PolarHBondContact O-N 3.5Å; I119-A121 VanDerWaalsContact C-N 3.27Å; I119-A121 PolarHBondContact O-N 3.31Å; A121-K124 PolarHBondContact O-N 3.31Å; A121-N125 WeakPolarHBondContact O-CB 3.18Å; A121-N125 PolarHBondContact O-N 3.04Å; A121-N125 PolarHBondContact O-ND2 3.23Å |
| 122 | A | 94.1 | Very high | 90.4 | Very high | 17 Ų | 17 | 74.5 Ų | 74.5 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I85 S118 I119 N125 A126 | I85-A122 HydrophobicContact CB-CB 4.4Å; I85-A122 HydrophobicContact CD1-CB 4.03Å; I85-A122 HydrophobicContact CG2-CB 4.08Å; S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.31Å; I119-A122 WeakPolarHBondContact O-CB 2.98Å; I119-A122 PolarHBondContact O-N 3.37Å; I119-A122 VanDerWaalsContact O-N 3.09Å; A122-N125 PolarHBondContact O-N 3.48Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 2.91Å |
| 123 | I | 94.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 72.7 Ų | 72.7 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.7 | -50.9 | 177.1 | -64.3 | 169.3 | 0 | 0 | 0 | 110.7 | I85 V89 S94 L102 V106 I119 N125 A126 E127 | I85-I123 HydrophobicContact CG2-CG1 3.69Å; V89-I123 HydrophobicContact CG2-CG2 4.38Å; S94-I123 WeakPolarHBondContact O-CG2 3.45Å; L102-I123 HydrophobicContact CD1-CD1 4.44Å; L102-I123 HydrophobicContact CD1-CG1 4.3Å; V106-I123 HydrophobicContact CG2-CD1 4.4Å; I119-I123 HydrophobicContact CG2-CD1 4.15Å; I119-I123 WeakPolarHBondContact O-CG1 3.32Å; I119-I123 PolarHBondContact O-N 3.26Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 2.9Å; I123-A126 WeakPolarHBondContact O-CB 3.45Å; I123-A126 PolarHBondContact O-N 3.19Å; I123-E127 PolarHBondContact O-N 3.41Å |
| 124 | K | 93.1 | Very high | 90.7 | Very high | 132 Ų | 132 | 70.5 Ų | 70.5 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.6 | -38 | 178.9 | -72 | 174.6 | -176.6 | 177.2 | 0 | 112.9 | D120 A121 A126 | D120-K124 WeakPolarHBondContact O-CB 3.22Å; D120-K124 VanDerWaalsContact O-CG 3.3Å; D120-K124 WeakPolarHBondContact O-CG 3.45Å; D120-K124 PolarHBondContact O-N 2.55Å; D120-K124 VanDerWaalsContact O-N 3.07Å; A121-K124 PolarHBondContact O-N 3.31Å; K124-A126 VanDerWaalsContact C-N 3.35Å |
| 125 | N | 91.3 | Very high | 90.8 | Very high | 110 Ų | 110 | 72.5 Ų | 72.5 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70 | -35.4 | 177.8 | -74 | -21.3 | 0 | 0 | 0 | 111.2 | A121 A122 I123 E127 K128 A129 | A121-N125 WeakPolarHBondContact O-CB 3.18Å; A121-N125 PolarHBondContact O-N 3.04Å; A121-N125 PolarHBondContact O-ND2 3.23Å; A122-N125 PolarHBondContact O-N 3.48Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 2.9Å; N125-E127 VanDerWaalsContact C-N 3.35Å; N125-E127 PolarHBondContact O-N 3.39Å; N125-K128 CarbonylContact O-C 3.58Å; N125-K128 PolarHBondContact O-N 3.24Å; N125-A129 WeakPolarHBondContact O-CB 3.47Å; N125-A129 PolarHBondContact O-N 2.83Å |
| 126 | A | 90.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 72.7 Ų | 72.7 | 13% | 0.132 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R86 V89 A122 I123 K124 K128 A129 | R86-A126 HydrophobicContact CB-CB 4Å; R86-A126 HydrophobicContact CG-CB 3.99Å; V89-A126 HydrophobicContact CB-CB 3.85Å; V89-A126 HydrophobicContact CG1-CB 3.83Å; V89-A126 HydrophobicContact CG2-CB 4.06Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 2.91Å; I123-A126 WeakPolarHBondContact O-CB 3.45Å; I123-A126 PolarHBondContact O-N 3.19Å; K124-A126 VanDerWaalsContact C-N 3.35Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.28Å; A126-A129 PolarHBondContact O-N 3.09Å |
| 127 | E | 86.1 | Confident | 90.9 | Very high | 111 Ų | 111 | 66.8 Ų | 66.8 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61 | -36 | 175.7 | -67 | 179.6 | 154 | 0 | 0 | 113.1 | V89 S94 I123 N125 | V89-E127 HydrophobicContact CG1-CG 4.45Å; S94-E127 WeakPolarHBondContact CB-OE1 3.35Å; S94-E127 PolarHBondContact OG-OE1 3Å; I123-E127 PolarHBondContact O-N 3.41Å; N125-E127 VanDerWaalsContact C-N 3.35Å; N125-E127 PolarHBondContact O-N 3.39Å |
| 128 | K | 85.1 | Confident | 91 | Very high | 179 Ų | 179 | 65.1 Ų | 65.1 | 78% | 0.778 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 0.1 | -175.9 | -62 | 179.8 | -177.3 | 178.3 | 0 | 113 | N125 A126 | N125-K128 CarbonylContact O-C 3.58Å; N125-K128 PolarHBondContact O-N 3.24Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.28Å |
| 129 | A | 82.4 | Confident | 91 | Very high | 39 Ų | 39 | 63 Ų | 63 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 148.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111 | N125 A126 | N125-A129 WeakPolarHBondContact O-CB 3.47Å; N125-A129 PolarHBondContact O-N 2.83Å; A126-A129 PolarHBondContact O-N 3.09Å |
| 130 | K | 82.4 | Confident | 91 | Very high | 164 Ų | 164 | 67.3 Ų | 67.3 | 71% | 0.713 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 153.9 | 168.8 | -69.4 | -177.7 | -178 | 178.1 | 0 | 110.5 | R86 A132 | R86-K130 PolarHBondContact NH2-O 3.31Å; K130-A132 PolarHBondContact O-N 2.93Å; K130-A132 VanDerWaalsContact O-N 3.08Å |
| 131 | P | 81.3 | Confident | 91 | Very high | 119 Ų | 119 | 64.6 Ų | 64.6 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 120.3 | 172.6 | 24.9 | -33.5 | 0 | 0 | 0 | 109.3 | ||
| 132 | A | 87.1 | Confident | 90.8 | Very high | 7 Ų | 7 | 63 Ų | 63 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | trans | -118.9 | 141.8 | 168 | 0 | 0 | 0 | 0 | 0 | 108 | K90 K130 L152 T153 | K90-A132 PolarHBondContact NZ-O 3.33Å; K130-A132 PolarHBondContact O-N 2.93Å; K130-A132 VanDerWaalsContact O-N 3.08Å; A132-L152 HydrophobicContact CB-CD1 3.89Å; A132-L152 HydrophobicContact CB-CG 4.09Å; A132-T153 CarbonylContact C-O 3.58Å; A132-T153 VanDerWaalsContact CA-O 3.29Å; A132-T153 WeakPolarHBondContact CA-O 3.27Å; A132-T153 WeakPolarHBondContact CB-O 3.4Å | ||
| 133 | S | 90.3 | Very high | 90.5 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 142.3 | 176.7 | 42.7 | 0 | 0 | 0 | 0 | 109.9 | H135 T153 | S133-H135 WeakPolarHBondContact CB-NE2 3.41Å; S133-H135 PolarHBondContact OG-CD2 2.83Å; S133-H135 PolarHBondContact OG-NE2 3.02Å; S133-T153 PolarHBondContact N-O 3.2Å; S133-T153 PolarHBondContact O-N 2.88Å; S133-T153 PolarHBondContact OG-O 3.41Å |
| 134 | Q | 93.3 | Very high | 90.3 | Very high | 73 Ų | 73 | 65.2 Ų | 65.2 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 133.4 | 168.5 | -67.5 | 170 | 18 | 0 | 0 | 108.3 | I87 E91 T151 L152 | I87-Q134 HydrophobicContact CD1-CG 4.17Å; I87-Q134 HydrophobicContact CG1-CG 4.11Å; E91-Q134 PolarHBondContact OE1-NE2 3.1Å; Q134-T151 CarbonylContact C-O 3.54Å; Q134-T151 VanDerWaalsContact CA-O 3.24Å; Q134-T151 WeakPolarHBondContact CA-O 3.43Å; Q134-L152 HydrophobicContact CG-CD1 3.94Å |
| 135 | H | 94.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 59 Ų | 59 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.8 | 173.1 | -64.9 | -74.2 | 0 | 0 | 0 | 109.7 | S133 F137 T151 | S133-H135 WeakPolarHBondContact CB-NE2 3.41Å; S133-H135 PolarHBondContact OG-CD2 2.83Å; S133-H135 PolarHBondContact OG-NE2 3.02Å; H135-F137 HydrophobicContact CB-CE2 4.11Å; H135-F137 HydrophobicContact CB-CZ 4.26Å; H135-T151 WeakPolarHBondContact CB-OG1 3.41Å; H135-T151 PolarHBondContact N-O 2.81Å; H135-T151 PolarHBondContact O-N 3.46Å; H135-T151 PolarHBondContact O-OG1 2.95Å |
| 136 | M | 94.5 | Very high | 90.2 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.1 | 174 | -164.1 | 64.9 | 75.3 | 0 | 0 | 108.4 | L148 E150 F254 W287 | M136-L148 HydrophobicContact CE-CD2 4.43Å; M136-L148 HydrophobicContact CE-CG 4.5Å; M136-L148 HydrophobicContact CG-CD1 3.37Å; M136-L148 HydrophobicContact CG-CD2 4.48Å; M136-L148 HydrophobicContact CG-CG 3.9Å; M136-L148 HydrophobicContact SD-CD1 3.75Å; M136-L148 HydrophobicContact SD-CD2 4.09Å; M136-L148 HydrophobicContact SD-CG 3.53Å; M136-L148 VanDerWaalsContact SD-CG 3.53Å; M136-E150 HydrophobicContact CE-CB 3.95Å; M136-E150 HydrophobicContact CE-CG 4.34Å; M136-E150 HydrophobicContact SD-CB 3.94Å; M136-F254 HydrophobicContact CE-CE2 3.7Å; M136-F254 HydrophobicContact CE-CZ 4.14Å; M136-W287 HydrophobicContact CE-CH2 4.17Å; M136-W287 HydrophobicContact CE-CZ3 3.8Å; M136-W287 HydrophobicContact SD-CZ3 3.83Å |
| 137 | F | 95.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 53 Ų | 53 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 141.1 | 173.5 | -62.9 | -75.5 | 0 | 0 | 0 | 110.2 | H135 I149 T151 N156 T159 H160 I163 L174 | H135-F137 HydrophobicContact CB-CE2 4.11Å; H135-F137 HydrophobicContact CB-CZ 4.26Å; F137-I149 HydrophobicContact CB-CB 4.28Å; F137-I149 PolarHBondContact N-O 3.12Å; F137-I149 PolarHBondContact O-N 2.87Å; F137-T151 HydrophobicContact CD2-CG2 3.68Å; F137-T151 HydrophobicContact CE2-CG2 3.78Å; F137-T151 WeakPolarHBondContact CE2-OG1 3.2Å; F137-N156 WeakPolarHBondContact CZ-OD1 3.49Å; F137-T159 HydrophobicContact CE2-CG2 4.1Å; F137-H160 HydrophobicContact CE1-CB 3.78Å; F137-H160 AromaticContact CE1-CD2 3.68Å; F137-H160 HydrophobicContact CZ-CB 3.9Å; F137-I163 HydrophobicContact CD2-CD1 3.44Å; F137-I163 VanDerWaalsContact CD2-CD1 3.44Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 4.14Å; F137-L174 HydrophobicContact CB-CD2 4.47Å |
| 138 | E | 95.8 | Very high | 90.8 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.4 | 179.8 | -68.1 | -178.8 | -138.8 | 0 | 0 | 109.1 | L148 L174 S175 G177 A178 R179 | E138-L148 HydrophobicContact CG-CD1 3.97Å; E138-L174 WeakPolarHBondContact O-CD2 3.47Å; E138-S175 CarbonylContact C-O 3.18Å; E138-S175 WeakPolarHBondContact CB-O 3.41Å; E138-S175 PolarHBondContact O-N 2.94Å; E138-S175 VanDerWaalsContact O-O 3.14Å; E138-G177 VanDerWaalsContact OE2-C 3.26Å; E138-G177 VanDerWaalsContact OE2-CA 3.27Å; E138-G177 WeakPolarHBondContact OE2-CA 3.47Å; E138-G177 PolarHBondContact OE2-N 3.24Å; E138-A178 HydrophobicContact CB-CB 3.99Å; E138-A178 HydrophobicContact CG-CB 4.46Å; E138-A178 PolarHBondContact OE2-N 3.28Å; E138-R179 HydrophobicContact CG-CB 4.01Å; E138-R179 VanDerWaalsContact OE1-CB 3.24Å; E138-R179 WeakPolarHBondContact OE1-CB 3.48Å; E138-R179 WeakPolarHBondContact OE2-CB 2.98Å; E138-R179 PolarHBondContact OE2-N 3.42Å |
| 139 | A | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 161.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L147 I149 L167 T173 L174 | A139-L147 HydrophobicContact CB-CB 4.17Å; A139-L147 PolarHBondContact N-O 3.11Å; A139-L147 PolarHBondContact O-N 3.13Å; A139-I149 HydrophobicContact CB-CD1 4.29Å; A139-L167 HydrophobicContact CB-CD1 3.68Å; A139-L167 HydrophobicContact CB-CD2 3.94Å; A139-T173 CarbonylContact C-O 3.37Å; A139-T173 VanDerWaalsContact CA-O 3.29Å; A139-T173 WeakPolarHBondContact CA-O 3.49Å; A139-T173 WeakPolarHBondContact CB-O 3.41Å; A139-L174 HydrophobicContact CB-CD2 4.47Å |
| 140 | R | 95.6 | Very high | 91.9 | Very high | 95 Ų | 95 | 38.1 Ų | 38.1 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.6 | 166.6 | -69.2 | -71.9 | -169.3 | 161.7 | 2.4 | 109.4 | G144 C145 G172 T173 | R140-G144 WeakPolarHBondContact CD-O 3.27Å; R140-G144 PolarHBondContact NH1-O 3.25Å; R140-C145 CarbonylContact C-O 3.5Å; R140-C145 WeakPolarHBondContact CA-O 3.48Å; R140-C145 WeakPolarHBondContact CD-O 3.5Å; R140-G172 CarbonylContact O-C 3.52Å; R140-G172 WeakPolarHBondContact O-CA 3.5Å; R140-T173 PolarHBondContact N-O 3.04Å; R140-T173 PolarHBondContact O-N 2.88Å |
| 141 | G | 93.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | trans | -94.5 | -170.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G144 C145 | G141-G144 PolarHBondContact O-N 3.36Å; G141-G144 VanDerWaalsContact O-N 3.11Å; G141-C145 VanDerWaalsContact CA-SG 3.55Å; G141-C145 PolarHBondContact N-O 3.49Å | ||
| 142 | P | 91.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -51.3 | 143.5 | 170.3 | -26.3 | 35.7 | 0 | 0 | 0 | 112.1 | G144 C145 R171 A269 A270 | P142-G144 PolarHBondContact O-N 3.3Å; P142-G144 VanDerWaalsContact O-N 3.09Å; P142-C145 PolarHBondContact O-N 3.37Å; P142-C145 PolarHBondContact O-SG 2.96Å; P142-C145 VanDerWaalsContact O-SG 3.39Å; P142-R171 HydrophobicContact CG-CB 4.48Å; P142-A269 HydrophobicContact CB-CB 4.05Å; P142-A269 HydrophobicContact CG-CB 3.91Å; P142-A270 HydrophobicContact CG-CB 4.48Å |
| 143 | G | 87.8 | Confident | 93.5 | Very high | 48 Ų | 48 | 24.8 Ų | 24.8 | 50% | 0.495 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | 64.9 | 8.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C145 | G143-C145 VanDerWaalsContact C-N 3.34Š|
| 144 | G | 88.8 | Confident | 93.6 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | 78 | 15.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R140 G141 P142 | R140-G144 WeakPolarHBondContact CD-O 3.27Å; R140-G144 PolarHBondContact NH1-O 3.25Å; G141-G144 PolarHBondContact O-N 3.36Å; G141-G144 VanDerWaalsContact O-N 3.11Å; P142-G144 PolarHBondContact O-N 3.3Å; P142-G144 VanDerWaalsContact O-N 3.09Å |
| 145 | C | 90.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | trans | -57.6 | 144.2 | 171.9 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | R140 G141 P142 G143 S260 L262 I290 | R140-C145 CarbonylContact C-O 3.5Å; R140-C145 WeakPolarHBondContact CA-O 3.48Å; R140-C145 WeakPolarHBondContact CD-O 3.5Å; G141-C145 VanDerWaalsContact CA-SG 3.55Å; G141-C145 PolarHBondContact N-O 3.49Å; P142-C145 PolarHBondContact O-N 3.37Å; P142-C145 PolarHBondContact O-SG 2.96Å; P142-C145 VanDerWaalsContact O-SG 3.39Å; G143-C145 VanDerWaalsContact C-N 3.34Å; C145-S260 WeakPolarHBondContact CB-OG 3.43Å; C145-L262 HydrophobicContact CB-CD1 4.32Å; C145-I290 HydrophobicContact CB-CD1 4.24Å; C145-I290 HydrophobicContact CB-CG1 3.72Å | ||
| 146 | A | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A178 N181 F182 D288 N289 | A146-A178 HydrophobicContact CB-CB 4.21Å; A146-N181 HydrophobicContact CB-CB 4.33Å; A146-F182 HydrophobicContact CB-CE2 3.95Å; A146-F182 HydrophobicContact CB-CZ 4.31Å; A146-D288 WeakPolarHBondContact O-CA 3.2Å; A146-N289 PolarHBondContact N-OD1 3.09Å; A146-N289 PolarHBondContact O-N 3.22Å; A146-N289 PolarHBondContact O-OD1 3Å |
| 147 | L | 93.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.3 | 177 | -60.5 | 176.5 | 0 | 0 | 0 | 109.6 | A139 L167 L273 I274 L277 W287 D288 | A139-L147 HydrophobicContact CB-CB 4.17Å; A139-L147 PolarHBondContact N-O 3.11Å; A139-L147 PolarHBondContact O-N 3.13Å; L147-L167 HydrophobicContact CD1-CD2 4.47Å; L147-L273 HydrophobicContact CD1-CD2 3.66Å; L147-L273 HydrophobicContact CD1-CG 4.3Å; L147-I274 HydrophobicContact CD2-CD1 4.4Å; L147-I274 HydrophobicContact CD2-CG1 4.24Å; L147-L277 HydrophobicContact CD1-CD1 4.14Å; L147-W287 CarbonylContact C-O 3.55Å; L147-W287 WeakPolarHBondContact CA-O 3.1Å; L147-D288 HydrophobicContact CD2-CB 3.44Å; L147-D288 VanDerWaalsContact CD2-CB 3.44Å |
| 148 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.7 | 172.9 | -170.6 | 68.7 | 0 | 0 | 0 | 107.9 | M136 E138 R179 F182 F254 V286 W287 | M136-L148 HydrophobicContact CE-CD2 4.43Å; M136-L148 HydrophobicContact CE-CG 4.5Å; M136-L148 HydrophobicContact CG-CD1 3.37Å; M136-L148 HydrophobicContact CG-CD2 4.48Å; M136-L148 HydrophobicContact CG-CG 3.9Å; M136-L148 HydrophobicContact SD-CD1 3.75Å; M136-L148 HydrophobicContact SD-CD2 4.09Å; M136-L148 HydrophobicContact SD-CG 3.53Å; M136-L148 VanDerWaalsContact SD-CG 3.53Å; E138-L148 HydrophobicContact CG-CD1 3.97Å; L148-R179 HydrophobicContact CD1-CB 4.26Å; L148-F182 HydrophobicContact CB-CD2 4Å; L148-F182 HydrophobicContact CB-CE2 3.88Å; L148-F182 HydrophobicContact CB-CG 4.41Å; L148-F182 HydrophobicContact CB-CZ 4.18Å; L148-F182 HydrophobicContact CD2-CB 4.16Å; L148-F182 HydrophobicContact CD2-CD2 4.29Å; L148-F182 HydrophobicContact CD2-CG 4.15Å; L148-F254 HydrophobicContact CD2-CB 4.08Å; L148-F254 HydrophobicContact CD2-CD1 3.72Å; L148-F254 HydrophobicContact CD2-CD2 3.75Å; L148-F254 HydrophobicContact CD2-CE1 4.05Å; L148-F254 HydrophobicContact CD2-CE2 4.08Å; L148-F254 HydrophobicContact CD2-CG 3.56Å; L148-F254 HydrophobicContact CD2-CZ 4.22Å; L148-V286 CarbonylContact O-C 3.59Å; L148-V286 WeakPolarHBondContact O-CA 3.24Å; L148-W287 HydrophobicContact CB-CB 4.29Å; L148-W287 HydrophobicContact CB-CE3 4.02Å; L148-W287 HydrophobicContact CD2-CE3 3.88Å; L148-W287 HydrophobicContact CD2-CZ3 4.29Å; L148-W287 HydrophobicContact CG-CE3 3.92Å; L148-W287 HydrophobicContact CG-CZ3 4.33Å; L148-W287 PolarHBondContact N-O 2.83Å; L148-W287 PolarHBondContact O-N 2.93Å |
| 149 | I | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 108.4 | -171.1 | -54.2 | 163.8 | 0 | 0 | 0 | 108.4 | F137 A139 T151 I163 L277 V283 V286 | F137-I149 HydrophobicContact CB-CB 4.28Å; F137-I149 PolarHBondContact N-O 3.12Å; F137-I149 PolarHBondContact O-N 2.87Å; A139-I149 HydrophobicContact CB-CD1 4.29Å; I149-T151 HydrophobicContact CG2-CG2 4Å; I149-I163 HydrophobicContact CD1-CG2 3.98Å; I149-I163 HydrophobicContact CG2-CD1 4.24Å; I149-L277 HydrophobicContact CD1-CD1 3.8Å; I149-L277 HydrophobicContact CD1-CD2 3.96Å; I149-L277 HydrophobicContact CG1-CD1 4.3Å; I149-V283 HydrophobicContact CG2-CG1 3.98Å; I149-V283 HydrophobicContact CG2-CG2 3.87Å; I149-V286 HydrophobicContact CG1-CG1 4.37Å; I149-V286 HydrophobicContact CG2-CG2 4.42Å |
| 150 | E | 94.7 | Very high | 93.7 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.9 | 172.7 | 178.1 | 178.5 | -140.1 | 0 | 0 | 109.6 | M136 V284 R285 W287 | M136-E150 HydrophobicContact CE-CB 3.95Å; M136-E150 HydrophobicContact CE-CG 4.34Å; M136-E150 HydrophobicContact SD-CB 3.94Å; E150-V284 HydrophobicContact CG-CB 4.14Å; E150-V284 PolarHBondContact O-N 3.31Å; E150-R285 HydrophobicContact CB-CB 4.45Å; E150-R285 PolarHBondContact N-O 2.81Å; E150-R285 PolarHBondContact O-N 3.11Å; E150-R285 IonicContact OE1-NH2 3.69Å; E150-R285 PolarHBondContact OE1-NH2 3.11Å; E150-R285 IonicContact OE2-CZ 2.72Å; E150-R285 VanDerWaalsContact OE2-CZ 3.23Å; E150-R285 IonicContact OE2-NE 3.52Å; E150-R285 PolarHBondContact OE2-NE 2.91Å; E150-R285 IonicContact OE2-NH2 3.1Å; E150-R285 PolarHBondContact OE2-NH2 2.86Å; E150-W287 HydrophobicContact CB-CH2 3.53Å; E150-W287 HydrophobicContact CB-CZ3 3.45Å; E150-W287 VanDerWaalsContact CB-CZ3 3.45Å; E150-W287 HydrophobicContact CG-CH2 4.28Å; E150-W287 VanDerWaalsContact OE2-CH2 3.28Å; E150-W287 WeakPolarHBondContact OE2-CH2 3.41Å |
| 151 | T | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150 | -179.9 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | Q134 H135 F137 I149 T159 I163 D282 V283 | Q134-T151 CarbonylContact C-O 3.54Å; Q134-T151 VanDerWaalsContact CA-O 3.24Å; Q134-T151 WeakPolarHBondContact CA-O 3.43Å; H135-T151 WeakPolarHBondContact CB-OG1 3.41Å; H135-T151 PolarHBondContact N-O 2.81Å; H135-T151 PolarHBondContact O-N 3.46Å; H135-T151 PolarHBondContact O-OG1 2.95Å; F137-T151 HydrophobicContact CD2-CG2 3.68Å; F137-T151 HydrophobicContact CE2-CG2 3.78Å; F137-T151 WeakPolarHBondContact CE2-OG1 3.2Å; I149-T151 HydrophobicContact CG2-CG2 4Å; T151-T159 HydrophobicContact CG2-CG2 4.05Å; T151-I163 HydrophobicContact CG2-CD1 3.77Å; T151-D282 CarbonylContact C-O 3.55Å; T151-D282 WeakPolarHBondContact CA-O 3.45Å; T151-D282 VanDerWaalsContact CB-O 3.27Å; T151-D282 WeakPolarHBondContact CB-O 3.5Å; T151-V283 HydrophobicContact CG2-CG2 4.04Å |
| 152 | L | 94.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 104.9 | 171.4 | -179.4 | 70.4 | 0 | 0 | 0 | 108.2 | M83 R86 I87 A132 Q134 D282 V284 | M83-L152 HydrophobicContact CB-CD2 4.2Å; M83-L152 HydrophobicContact CG-CD2 4.45Å; R86-L152 HydrophobicContact CB-CD2 4.27Å; R86-L152 HydrophobicContact CG-CD2 4.16Å; I87-L152 HydrophobicContact CD1-CB 4.37Å; I87-L152 HydrophobicContact CD1-CD1 4.48Å; I87-L152 HydrophobicContact CD1-CD2 4.34Å; I87-L152 HydrophobicContact CG1-CD1 4Å; I87-L152 HydrophobicContact CG1-CD2 3.95Å; I87-L152 HydrophobicContact CG1-CG 4.43Å; A132-L152 HydrophobicContact CB-CD1 3.89Å; A132-L152 HydrophobicContact CB-CG 4.09Å; Q134-L152 HydrophobicContact CG-CD1 3.94Å; L152-D282 PolarHBondContact N-O 3.41Å; L152-V284 HydrophobicContact CB-CG2 3.65Å |
| 153 | T | 93.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153 | -172.1 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | A132 S133 N155 R158 T159 D282 | A132-T153 CarbonylContact C-O 3.58Å; A132-T153 VanDerWaalsContact CA-O 3.29Å; A132-T153 WeakPolarHBondContact CA-O 3.27Å; A132-T153 WeakPolarHBondContact CB-O 3.4Å; S133-T153 PolarHBondContact N-O 3.2Å; S133-T153 PolarHBondContact O-N 2.88Å; S133-T153 PolarHBondContact OG-O 3.41Å; T153-N155 PolarHBondContact OG1-N 3.18Å; T153-N155 PolarHBondContact OG1-O 3.31Å; T153-R158 PolarHBondContact OG1-NH2 2.86Å; T153-T159 VanDerWaalsContact CB-OG1 3.24Å; T153-T159 WeakPolarHBondContact CB-OG1 3.39Å; T153-T159 HydrophobicContact CG2-CG2 4.44Å; T153-T159 WeakPolarHBondContact CG2-OG1 3.37Å; T153-T159 PolarHBondContact OG1-OG1 3.43Å; T153-D282 PolarHBondContact OG1-OD2 2.97Å |
| 154 | D | 91.8 | Very high | 94.5 | Very high | 96 Ų | 96 | 39 Ų | 39 | 51% | 0.513 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -85.1 | -16.9 | 168.4 | 63.7 | -20.1 | 0 | 0 | 0 | 112.4 | R158 | D154-R158 IonicContact OD1-CZ 3.62Å; D154-R158 IonicContact OD1-NH1 2.93Å; D154-R158 PolarHBondContact OD1-NH1 3.22Å; D154-R158 IonicContact OD1-NH2 2.8Å; D154-R158 PolarHBondContact OD1-NH2 3.39Å |
| 155 | N | 93.7 | Very high | 94.9 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | trans | -140.6 | 94.1 | -177.7 | -173.6 | -24.2 | 0 | 0 | 0 | 111.3 | T153 T157 R158 T159 | T153-N155 PolarHBondContact OG1-N 3.18Å; T153-N155 PolarHBondContact OG1-O 3.31Å; N155-T157 VanDerWaalsContact C-N 3.29Å; N155-T157 PolarHBondContact O-N 2.94Å; N155-T157 PolarHBondContact OD1-N 3.3Å; N155-T157 VanDerWaalsContact OD1-N 3.14Å; N155-R158 HydrophobicContact CB-CB 4.07Å; N155-R158 PolarHBondContact O-N 3.44Å; N155-R158 PolarHBondContact OD1-N 2.91Å; N155-T159 PolarHBondContact O-N 2.77Å; N155-T159 PolarHBondContact O-OG1 2.9Å; N155-T159 VanDerWaalsContact O-OG1 3.11Å | ||
| 156 | N | 94.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.3 | -40.5 | 178.9 | -171.8 | 33.8 | 0 | 0 | 0 | 113.2 | F137 R158 T159 H160 | F137-N156 WeakPolarHBondContact CZ-OD1 3.49Å; N156-R158 PolarHBondContact O-N 2.8Å; N156-T159 PolarHBondContact O-N 3.35Å; N156-H160 WeakPolarHBondContact O-CB 3.46Å; N156-H160 PolarHBondContact O-N 3.01Å |
| 157 | T | 95.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 47 Ų | 47 | 53% | 0.534 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.8 | -39.5 | -177.4 | -52.6 | 0 | 0 | 0 | 0 | 112 | N155 Q161 | N155-T157 VanDerWaalsContact C-N 3.29Å; N155-T157 PolarHBondContact O-N 2.94Å; N155-T157 PolarHBondContact OD1-N 3.3Å; N155-T157 VanDerWaalsContact OD1-N 3.14Å; T157-Q161 VanDerWaalsContact O-CG 3.29Å; T157-Q161 WeakPolarHBondContact O-CG 3.3Å; T157-Q161 PolarHBondContact O-N 2.97Å; T157-Q161 VanDerWaalsContact O-N 3.16Å |
| 158 | R | 95.2 | Very high | 95.5 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -54.9 | 174.2 | 179.9 | -168.4 | 72.1 | -136.2 | -3.5 | 110.1 | T153 D154 N155 N156 H160 Q161 E162 D282 | T153-R158 PolarHBondContact OG1-NH2 2.86Å; D154-R158 IonicContact OD1-CZ 3.62Å; D154-R158 IonicContact OD1-NH1 2.93Å; D154-R158 PolarHBondContact OD1-NH1 3.22Å; D154-R158 IonicContact OD1-NH2 2.8Å; D154-R158 PolarHBondContact OD1-NH2 3.39Å; N155-R158 HydrophobicContact CB-CB 4.07Å; N155-R158 PolarHBondContact O-N 3.44Å; N155-R158 PolarHBondContact OD1-N 2.91Å; N156-R158 PolarHBondContact O-N 2.8Å; R158-H160 PolarHBondContact O-N 2.8Å; R158-Q161 PolarHBondContact O-N 3.34Å; R158-E162 PolarHBondContact O-N 3.04Å; R158-D282 IonicContact CZ-OD2 2.89Å; R158-D282 IonicContact NE-OD2 2.7Å; R158-D282 IonicContact NH2-OD1 3.49Å; R158-D282 PolarHBondContact NH2-OD1 3.28Å; R158-D282 VanDerWaalsContact NH2-OD1 3.1Å; R158-D282 IonicContact NH2-OD2 3.23Å; R158-D282 PolarHBondContact NH2-OD2 2.93Å |
| 159 | T | 96.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | -176 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | F137 T151 T153 N155 N156 Q161 E162 I163 D282 | F137-T159 HydrophobicContact CE2-CG2 4.1Å; T151-T159 HydrophobicContact CG2-CG2 4.05Å; T153-T159 VanDerWaalsContact CB-OG1 3.24Å; T153-T159 WeakPolarHBondContact CB-OG1 3.39Å; T153-T159 HydrophobicContact CG2-CG2 4.44Å; T153-T159 WeakPolarHBondContact CG2-OG1 3.37Å; T153-T159 PolarHBondContact OG1-OG1 3.43Å; N155-T159 PolarHBondContact O-N 2.77Å; N155-T159 PolarHBondContact O-OG1 2.9Å; N155-T159 VanDerWaalsContact O-OG1 3.11Å; N156-T159 PolarHBondContact O-N 3.35Å; T159-Q161 PolarHBondContact O-N 2.83Å; T159-E162 PolarHBondContact O-N 2.88Å; T159-I163 HydrophobicContact CG2-CD1 3.85Å; T159-I163 HydrophobicContact CG2-CG1 4.46Å; T159-I163 WeakPolarHBondContact O-CG1 3.47Å; T159-I163 PolarHBondContact O-N 3.48Å; T159-D282 HydrophobicContact CG2-CB 3.59Å; T159-D282 PolarHBondContact OG1-OD2 3.01Å |
| 160 | H | 96.6 | Very high | 95.5 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.7 | 172.9 | -95.1 | 0 | 0 | 0 | 112.3 | F137 N156 R158 E162 K164 L174 | F137-H160 HydrophobicContact CE1-CB 3.78Å; F137-H160 AromaticContact CE1-CD2 3.68Å; F137-H160 HydrophobicContact CZ-CB 3.9Å; N156-H160 WeakPolarHBondContact O-CB 3.46Å; N156-H160 PolarHBondContact O-N 3.01Å; R158-H160 PolarHBondContact O-N 2.8Å; H160-E162 VanDerWaalsContact C-N 3.35Å; H160-K164 VanDerWaalsContact O-CB 3.24Å; H160-K164 WeakPolarHBondContact O-CB 3.37Å; H160-K164 PolarHBondContact O-N 3.01Å; H160-L174 WeakPolarHBondContact NE2-CD1 3.31Å |
| 161 | Q | 96.8 | Very high | 95.3 | Very high | 89 Ų | 89 | 71.4 Ų | 71.4 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.6 | -72.9 | 178.8 | 11.6 | 0 | 0 | 112.3 | T157 R158 T159 R165 | T157-Q161 VanDerWaalsContact O-CG 3.29Å; T157-Q161 WeakPolarHBondContact O-CG 3.3Å; T157-Q161 PolarHBondContact O-N 2.97Å; T157-Q161 VanDerWaalsContact O-N 3.16Å; R158-Q161 PolarHBondContact O-N 3.34Å; T159-Q161 PolarHBondContact O-N 2.83Å; Q161-R165 WeakPolarHBondContact O-CB 3.29Å; Q161-R165 WeakPolarHBondContact O-CG 3.44Å; Q161-R165 PolarHBondContact O-N 3.26Å |
| 162 | E | 96.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 71.6 Ų | 71.6 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -49.9 | 177.8 | -173.5 | 164.9 | -157.4 | 0 | 0 | 111.6 | R158 T159 H160 K164 R165 L166 L280 | R158-E162 PolarHBondContact O-N 3.04Å; T159-E162 PolarHBondContact O-N 2.88Å; H160-E162 VanDerWaalsContact C-N 3.35Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.02Å; E162-R165 PolarHBondContact O-N 3.35Å; E162-L166 WeakPolarHBondContact O-CB 3.36Å; E162-L166 PolarHBondContact O-N 2.79Å; E162-L280 HydrophobicContact CG-CD1 4.33Å; E162-L280 HydrophobicContact CG-CD2 3.82Å; E162-L280 WeakPolarHBondContact OE1-CD2 3.37Å |
| 163 | I | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 174.8 | -69.5 | 170.6 | 0 | 0 | 0 | 110.5 | F137 I149 T151 T159 R165 L166 L167 L174 L277 L280 V283 | F137-I163 HydrophobicContact CD2-CD1 3.44Å; F137-I163 VanDerWaalsContact CD2-CD1 3.44Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 4.14Å; I149-I163 HydrophobicContact CD1-CG2 3.98Å; I149-I163 HydrophobicContact CG2-CD1 4.24Å; T151-I163 HydrophobicContact CG2-CD1 3.77Å; T159-I163 HydrophobicContact CG2-CD1 3.85Å; T159-I163 HydrophobicContact CG2-CG1 4.46Å; T159-I163 WeakPolarHBondContact O-CG1 3.47Å; T159-I163 PolarHBondContact O-N 3.48Å; I163-R165 VanDerWaalsContact C-N 3.35Å; I163-R165 PolarHBondContact O-N 3.35Å; I163-L166 PolarHBondContact O-N 3.48Å; I163-L167 HydrophobicContact CG2-CD1 3.67Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.44Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.08Å; I163-L174 HydrophobicContact CG2-CD2 4.2Å; I163-L277 HydrophobicContact CG2-CD2 4.32Å; I163-L280 HydrophobicContact CG1-CD1 3.86Å; I163-V283 HydrophobicContact CD1-CG2 4.5Å |
| 164 | K | 96.4 | Very high | 95.4 | Very high | 114 Ų | 114 | 77.6 Ų | 77.6 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 178.3 | -175.1 | 174.6 | -179.7 | 172.5 | 0 | 112.4 | H160 E162 T168 L174 | H160-K164 VanDerWaalsContact O-CB 3.24Å; H160-K164 WeakPolarHBondContact O-CB 3.37Å; H160-K164 PolarHBondContact O-N 3.01Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.02Å; K164-T168 WeakPolarHBondContact O-CB 3.17Å; K164-T168 PolarHBondContact O-N 3.49Å; K164-T168 PolarHBondContact O-OG1 2.93Å; K164-L174 HydrophobicContact CB-CD1 3.8Å; K164-L174 HydrophobicContact CD-CD1 4.25Å; K164-L174 HydrophobicContact CG-CD1 4.06Å |
| 165 | R | 96.5 | Very high | 95.4 | Very high | 175 Ų | 175 | 74.2 Ų | 74.2 | 66% | 0.66 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 178.2 | -74.5 | 170 | -169.9 | 169.7 | 7.4 | 111.2 | Q161 E162 I163 T168 K169 | Q161-R165 WeakPolarHBondContact O-CB 3.29Å; Q161-R165 WeakPolarHBondContact O-CG 3.44Å; Q161-R165 PolarHBondContact O-N 3.26Å; E162-R165 PolarHBondContact O-N 3.35Å; I163-R165 VanDerWaalsContact C-N 3.35Å; I163-R165 PolarHBondContact O-N 3.35Å; R165-T168 PolarHBondContact O-N 3.08Å; R165-K169 WeakPolarHBondContact O-CB 3.44Å; R165-K169 PolarHBondContact O-N 2.96Å |
| 166 | L | 96.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 79 Ų | 79 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.5 | -48.4 | 179.8 | -168.1 | 154.8 | 0 | 0 | 0 | 111.4 | E162 I163 T168 K169 K170 L273 A276 L277 L280 | E162-L166 WeakPolarHBondContact O-CB 3.36Å; E162-L166 PolarHBondContact O-N 2.79Å; I163-L166 PolarHBondContact O-N 3.48Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.34Å; L166-K169 WeakPolarHBondContact O-CB 3.47Å; L166-K169 PolarHBondContact O-N 3.12Å; L166-K169 VanDerWaalsContact O-N 3.16Å; L166-K170 HydrophobicContact CD2-CG 4.4Å; L166-K170 PolarHBondContact O-N 3.31Å; L166-K170 VanDerWaalsContact O-N 3.08Å; L166-L273 HydrophobicContact CD2-CD1 3.5Å; L166-A276 HydrophobicContact CD1-CB 4.03Å; L166-A276 VanDerWaalsContact CD1-O 3.3Å; L166-A276 WeakPolarHBondContact CD1-O 3.24Å; L166-A276 HydrophobicContact CD2-CB 3.94Å; L166-A276 HydrophobicContact CG-CB 4.3Å; L166-L277 HydrophobicContact CD2-CD2 3.79Å; L166-L277 HydrophobicContact CD2-CG 3.85Å; L166-L280 HydrophobicContact CD1-CD1 3.94Å; L166-L280 HydrophobicContact CD1-CD2 3.94Å; L166-L280 HydrophobicContact CD1-CG 3.92Å |
| 167 | L | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -53.6 | -51 | 173.9 | -74.8 | 167.3 | 0 | 0 | 0 | 110.9 | A139 L147 I163 K169 K170 R171 G172 L174 L273 L277 | A139-L167 HydrophobicContact CB-CD1 3.68Å; A139-L167 HydrophobicContact CB-CD2 3.94Å; L147-L167 HydrophobicContact CD1-CD2 4.47Å; I163-L167 HydrophobicContact CG2-CD1 3.67Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.44Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.08Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.96Å; L167-K170 CarbonylContact O-C 3.44Å; L167-K170 PolarHBondContact O-N 3.25Å; L167-R171 PolarHBondContact O-N 3.11Å; L167-R171 VanDerWaalsContact O-N 3.15Å; L167-G172 CarbonylContact C-O 3.54Å; L167-G172 WeakPolarHBondContact O-CA 3.47Å; L167-G172 PolarHBondContact O-N 3.1Å; L167-G172 VanDerWaalsContact O-O 3.11Å; L167-L174 HydrophobicContact CD1-CD2 3.75Å; L167-L174 HydrophobicContact CD1-CG 3.85Å; L167-L273 HydrophobicContact CD2-CD1 3.92Å; L167-L273 HydrophobicContact CD2-CD2 4.04Å; L167-L277 HydrophobicContact CD2-CD1 4.46Å |
| 168 | T | 95.6 | Very high | 94.3 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 60% | 0.595 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.7 | -40.3 | -179.9 | -53.1 | 0 | 0 | 0 | 0 | 112 | K164 R165 L166 K170 G172 | K164-T168 WeakPolarHBondContact O-CB 3.17Å; K164-T168 PolarHBondContact O-N 3.49Å; K164-T168 PolarHBondContact O-OG1 2.93Å; R165-T168 PolarHBondContact O-N 3.08Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.34Å; T168-K170 VanDerWaalsContact C-N 3.28Å; T168-K170 PolarHBondContact O-N 3.18Å; T168-G172 PolarHBondContact N-O 2.85Å |
| 169 | K | 95.6 | Very high | 94 | Very high | 181 Ų | 181 | 74.8 Ų | 74.8 | 79% | 0.787 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.4 | -30 | 178.1 | -174.5 | -179.9 | 178.2 | -175.1 | 0 | 112.7 | R165 L166 L167 | R165-K169 WeakPolarHBondContact O-CB 3.44Å; R165-K169 PolarHBondContact O-N 2.96Å; L166-K169 WeakPolarHBondContact O-CB 3.47Å; L166-K169 PolarHBondContact O-N 3.12Å; L166-K169 VanDerWaalsContact O-N 3.16Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.96Å |
| 170 | K | 94.6 | Very high | 93.7 | Very high | 62 Ų | 62 | 81.4 Ų | 81.4 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 24.9 | -174.3 | -70 | -78.2 | -172.8 | 165.9 | 0 | 112.8 | L166 L167 T168 G172 S272 L273 | L166-K170 HydrophobicContact CD2-CG 4.4Å; L166-K170 PolarHBondContact O-N 3.31Å; L166-K170 VanDerWaalsContact O-N 3.08Å; L167-K170 CarbonylContact O-C 3.44Å; L167-K170 PolarHBondContact O-N 3.25Å; T168-K170 VanDerWaalsContact C-N 3.28Å; T168-K170 PolarHBondContact O-N 3.18Å; K170-G172 VanDerWaalsContact C-N 3.27Å; K170-G172 PolarHBondContact O-N 3.02Å; K170-S272 PolarHBondContact NZ-O 3.46Å; K170-S272 PolarHBondContact NZ-OG 2.97Å; K170-L273 HydrophobicContact CB-CB 4.02Å; K170-L273 HydrophobicContact CB-CD1 3.64Å; K170-L273 HydrophobicContact CB-CG 4.32Å; K170-L273 HydrophobicContact CG-CD1 4.23Å |
| 171 | R | 92.1 | Very high | 93.3 | Very high | 188 Ų | 188 | 79.1 Ų | 79.1 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 30 | 177.2 | -53.3 | -179.2 | 177.7 | -177.1 | 1.8 | 114.5 | P142 L167 E265 | P142-R171 HydrophobicContact CG-CB 4.48Å; L167-R171 PolarHBondContact O-N 3.11Å; L167-R171 VanDerWaalsContact O-N 3.15Å; R171-E265 IonicContact NH1-OE1 3.9Å |
| 172 | G | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 75.3 Ų | 75.3 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | trans | -112.1 | 170.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R140 L167 T168 K170 | R140-G172 CarbonylContact O-C 3.52Å; R140-G172 WeakPolarHBondContact O-CA 3.5Å; L167-G172 CarbonylContact C-O 3.54Å; L167-G172 WeakPolarHBondContact O-CA 3.47Å; L167-G172 PolarHBondContact O-N 3.1Å; L167-G172 VanDerWaalsContact O-O 3.11Å; T168-G172 PolarHBondContact N-O 2.85Å; K170-G172 VanDerWaalsContact C-N 3.27Å; K170-G172 PolarHBondContact O-N 3.02Å | ||
| 173 | T | 95.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 75 Ų | 75 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 151.3 | 178 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | A139 R140 | A139-T173 CarbonylContact C-O 3.37Å; A139-T173 VanDerWaalsContact CA-O 3.29Å; A139-T173 WeakPolarHBondContact CA-O 3.49Å; A139-T173 WeakPolarHBondContact CB-O 3.41Å; R140-T173 PolarHBondContact N-O 3.04Å; R140-T173 PolarHBondContact O-N 2.88Å |
| 174 | L | 95.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 79.3 Ų | 79.3 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 141 | 165.5 | -75 | 169.9 | 0 | 0 | 0 | 108.8 | F137 E138 A139 H160 I163 K164 L167 | F137-L174 HydrophobicContact CB-CD2 4.47Å; E138-L174 WeakPolarHBondContact O-CD2 3.47Å; A139-L174 HydrophobicContact CB-CD2 4.47Å; H160-L174 WeakPolarHBondContact NE2-CD1 3.31Å; I163-L174 HydrophobicContact CG2-CD2 4.2Å; K164-L174 HydrophobicContact CB-CD1 3.8Å; K164-L174 HydrophobicContact CD-CD1 4.25Å; K164-L174 HydrophobicContact CG-CD1 4.06Å; L167-L174 HydrophobicContact CD1-CD2 3.75Å; L167-L174 HydrophobicContact CD1-CG 3.85Å |
| 175 | S | 92.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 75 Ų | 75 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | trans | -144.2 | 137.4 | -178.3 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | E138 | E138-S175 CarbonylContact C-O 3.18Å; E138-S175 WeakPolarHBondContact CB-O 3.41Å; E138-S175 PolarHBondContact O-N 2.94Å; E138-S175 VanDerWaalsContact O-O 3.14Å | ||
| 176 | D | 86.7 | Confident | 92.3 | Very high | 171 Ų | 171 | 66.6 Ų | 66.6 | 91% | 0.914 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 132.6 | 167.3 | -59.7 | -39.5 | 0 | 0 | 0 | 109.4 | ||
| 177 | G | 86.3 | Confident | 92 | Very high | 27 Ų | 27 | 65.4 Ų | 65.4 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | 1.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116 | E138 R179 H180 | E138-G177 VanDerWaalsContact OE2-C 3.26Å; E138-G177 VanDerWaalsContact OE2-CA 3.27Å; E138-G177 WeakPolarHBondContact OE2-CA 3.47Å; E138-G177 PolarHBondContact OE2-N 3.24Å; G177-R179 PolarHBondContact O-N 3.49Å; G177-H180 PolarHBondContact O-N 2.66Å; G177-H180 PolarHBondContact O-ND1 2.66Å |
| 178 | A | 88 | Confident | 91.8 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -62.1 | -31.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E138 A146 H180 N181 F182 | E138-A178 HydrophobicContact CB-CB 3.99Å; E138-A178 HydrophobicContact CG-CB 4.46Å; E138-A178 PolarHBondContact OE2-N 3.28Å; A146-A178 HydrophobicContact CB-CB 4.21Å; A178-H180 PolarHBondContact O-N 2.92Å; A178-H180 VanDerWaalsContact O-N 3.16Å; A178-N181 WeakPolarHBondContact O-CB 3.45Å; A178-N181 PolarHBondContact O-N 2.86Å; A178-N181 VanDerWaalsContact O-N 3.09Å; A178-N181 PolarHBondContact O-ND2 3.32Å; A178-F182 WeakPolarHBondContact O-CD2 3.45Å |
| 179 | R | 89.1 | Confident | 91.5 | Very high | 130 Ų | 130 | 61 Ų | 61 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -57.7 | -27.3 | 178.1 | -179.5 | 175.9 | -177.4 | 179 | 2.2 | 113.6 | E138 L148 G177 N181 F182 | E138-R179 HydrophobicContact CG-CB 4.01Å; E138-R179 VanDerWaalsContact OE1-CB 3.24Å; E138-R179 WeakPolarHBondContact OE1-CB 3.48Å; E138-R179 WeakPolarHBondContact OE2-CB 2.98Å; E138-R179 PolarHBondContact OE2-N 3.42Å; L148-R179 HydrophobicContact CD1-CB 4.26Å; G177-R179 PolarHBondContact O-N 3.49Å; R179-N181 PolarHBondContact O-N 2.93Å; R179-N181 VanDerWaalsContact O-N 3.16Å; R179-F182 PolarHBondContact O-N 3.12Å; R179-F182 VanDerWaalsContact O-O 3.05Å |
| 180 | H | 89.7 | Confident | 91.3 | Very high | 140 Ų | 140 | 52.4 Ų | 52.4 | 65% | 0.648 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -63.7 | -20 | 178.2 | -62.5 | 139.4 | 0 | 0 | 0 | 113.8 | G177 A178 F182 R257 | G177-H180 PolarHBondContact O-N 2.66Å; G177-H180 PolarHBondContact O-ND1 2.66Å; A178-H180 PolarHBondContact O-N 2.92Å; A178-H180 VanDerWaalsContact O-N 3.16Å; H180-F182 VanDerWaalsContact C-N 3.26Å; H180-R257 WeakPolarHBondContact O-CD 3.37Å; H180-R257 PolarHBondContact O-NH1 3.11Å |
| 181 | N | 88.1 | Confident | 90.9 | Very high | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -80.3 | -7 | 174.8 | -61.5 | -60.6 | 0 | 0 | 0 | 112.9 | A146 A178 R179 T256 R257 | A146-N181 HydrophobicContact CB-CB 4.33Å; A178-N181 WeakPolarHBondContact O-CB 3.45Å; A178-N181 PolarHBondContact O-N 2.86Å; A178-N181 VanDerWaalsContact O-N 3.09Å; A178-N181 PolarHBondContact O-ND2 3.32Å; R179-N181 PolarHBondContact O-N 2.93Å; R179-N181 VanDerWaalsContact O-N 3.16Å; N181-T256 CarbonylContact O-C 3.55Å; N181-T256 WeakPolarHBondContact O-CA 3.4Å; N181-R257 PolarHBondContact O-N 3.2Å |
| 182 | F | 91.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 43 Ų | 43 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.6 | -175.9 | -60.6 | -86.3 | 0 | 0 | 0 | 110.5 | A146 L148 A178 R179 H180 F254 V255 T256 W287 N289 | A146-F182 HydrophobicContact CB-CE2 3.95Å; A146-F182 HydrophobicContact CB-CZ 4.31Å; L148-F182 HydrophobicContact CB-CD2 4Å; L148-F182 HydrophobicContact CB-CE2 3.88Å; L148-F182 HydrophobicContact CB-CG 4.41Å; L148-F182 HydrophobicContact CB-CZ 4.18Å; L148-F182 HydrophobicContact CD2-CB 4.16Å; L148-F182 HydrophobicContact CD2-CD2 4.29Å; L148-F182 HydrophobicContact CD2-CG 4.15Å; A178-F182 WeakPolarHBondContact O-CD2 3.45Å; R179-F182 PolarHBondContact O-N 3.12Å; R179-F182 VanDerWaalsContact O-O 3.05Å; H180-F182 VanDerWaalsContact C-N 3.26Å; F182-F254 HydrophobicContact CB-CB 4.12Å; F182-F254 HydrophobicContact CB-CD1 3.93Å; F182-F254 HydrophobicContact CB-CG 4.41Å; F182-F254 HydrophobicContact CD1-CB 4.24Å; F182-V255 CarbonylContact C-O 3.51Å; F182-V255 WeakPolarHBondContact CA-O 3.45Å; F182-T256 HydrophobicContact CD1-CG2 3.73Å; F182-T256 HydrophobicContact CE1-CG2 3.45Å; F182-T256 VanDerWaalsContact CE1-CG2 3.45Å; F182-T256 HydrophobicContact CZ-CG2 4.39Å; F182-W287 HydrophobicContact CD1-CB 4.16Å; F182-W287 HydrophobicContact CE1-CB 3.78Å; F182-W287 HydrophobicContact CZ-CB 4.48Å; F182-N289 HydrophobicContact CZ-CB 4.35Å |
| 183 | I | 91.9 | Very high | 89.8 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.9 | 169.7 | -55.8 | 160.2 | 0 | 0 | 0 | 107.7 | M185 F254 V255 R257 | I183-M185 HydrophobicContact CB-CG 4.17Å; I183-M185 HydrophobicContact CB-SD 4.35Å; I183-M185 HydrophobicContact CG2-CG 3.91Å; I183-M185 HydrophobicContact CG2-SD 3.52Å; I183-M185 VanDerWaalsContact CG2-SD 3.52Å; I183-M185 PolarHBondContact O-N 2.93Å; I183-F254 CarbonylContact O-C 3.57Å; I183-F254 WeakPolarHBondContact O-CA 3.23Å; I183-V255 PolarHBondContact N-O 2.82Å; I183-V255 PolarHBondContact O-N 3.49Å; I183-R257 HydrophobicContact CD1-CG 3.51Å; I183-R257 HydrophobicContact CG1-CG 3.68Å |
| 184 | Q | 92.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.2 | 169.3 | -169.2 | 174 | 12.4 | 0 | 0 | 109.2 | V230 L252 E253 F254 | Q184-V230 HydrophobicContact CG-CG2 4.44Å; Q184-V230 VanDerWaalsContact O-CG2 3.27Å; Q184-V230 WeakPolarHBondContact O-CG2 3.24Å; Q184-L252 HydrophobicContact CG-CB 4.42Å; Q184-E253 WeakPolarHBondContact CA-O 3.39Å; Q184-F254 HydrophobicContact CB-CD1 4.1Å; Q184-F254 HydrophobicContact CB-CE1 3.76Å; Q184-F254 HydrophobicContact CB-CZ 4.2Å; Q184-F254 HydrophobicContact CG-CE1 4.4Å; Q184-F254 HydrophobicContact CG-CZ 4.39Å |
| 185 | M | 93.4 | Very high | 87.9 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160 | -178.4 | -61.3 | -61.9 | -79.9 | 0 | 0 | 109.8 | I183 E210 V227 C228 L252 E253 V255 | I183-M185 HydrophobicContact CB-CG 4.17Å; I183-M185 HydrophobicContact CB-SD 4.35Å; I183-M185 HydrophobicContact CG2-CG 3.91Å; I183-M185 HydrophobicContact CG2-SD 3.52Å; I183-M185 VanDerWaalsContact CG2-SD 3.52Å; I183-M185 PolarHBondContact O-N 2.93Å; M185-E210 WeakPolarHBondContact CE-OE2 3.17Å; M185-V227 HydrophobicContact CB-CG1 3.74Å; M185-V227 HydrophobicContact CE-CG1 4.16Å; M185-V227 HydrophobicContact CG-CG1 4.07Å; M185-C228 WeakPolarHBondContact CE-O 3.24Å; M185-L252 WeakPolarHBondContact O-CA 3.37Å; M185-E253 PolarHBondContact N-O 3.27Å; M185-E253 PolarHBondContact O-N 3.14Å; M185-E253 VanDerWaalsContact O-O 3.14Å; M185-V255 HydrophobicContact CB-CG2 4Å; M185-V255 HydrophobicContact CG-CB 4.24Å; M185-V255 HydrophobicContact CG-CG2 4.26Å |
| 186 | G | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | V227 C228 L233 | G186-V227 CarbonylContact O-C 3.57Å; G186-V227 WeakPolarHBondContact O-CA 3.37Å; G186-C228 PolarHBondContact N-O 2.7Å; G186-C228 PolarHBondContact O-N 2.86Å; G186-C228 PolarHBondContact O-SG 3.27Å; G186-L233 VanDerWaalsContact CA-CD1 3.48Å |
| 187 | V | 91.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.8 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | K225 F226 V227 A250 G251 E253 V255 | V187-K225 HydrophobicContact CG1-CB 4.07Å; V187-K225 HydrophobicContact CG1-CD 4.24Å; V187-K225 HydrophobicContact CG1-CG 4.22Å; V187-F226 WeakPolarHBondContact CA-O 3.35Å; V187-V227 HydrophobicContact CG2-CG2 4.44Å; V187-A250 WeakPolarHBondContact O-CA 3.29Å; V187-G251 PolarHBondContact N-O 3.48Å; V187-G251 PolarHBondContact O-N 3.24Å; V187-E253 HydrophobicContact CB-CB 4.3Å; V187-E253 HydrophobicContact CB-CG 4.19Å; V187-E253 HydrophobicContact CG2-CB 3.83Å; V187-E253 HydrophobicContact CG2-CG 4.28Å; V187-V255 HydrophobicContact CG2-CG2 3.95Å |
| 188 | V | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.6 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | K225 F226 L233 V236 R237 L240 I247 A250 | V188-K225 WeakPolarHBondContact O-CA 3.49Å; V188-F226 HydrophobicContact CB-CB 4.34Å; V188-F226 PolarHBondContact N-O 2.75Å; V188-F226 PolarHBondContact O-N 3.24Å; V188-L233 HydrophobicContact CG2-CD1 4.14Å; V188-V236 HydrophobicContact CG2-CG1 4.28Å; V188-R237 HydrophobicContact CG2-CB 4.4Å; V188-L240 HydrophobicContact CB-CD1 4.22Å; V188-L240 HydrophobicContact CG1-CD1 3.87Å; V188-I247 HydrophobicContact CG1-CD1 3.61Å; V188-I247 HydrophobicContact CG1-CG1 3.97Å; V188-I247 HydrophobicContact CG1-CG2 3.79Å; V188-A250 HydrophobicContact CG2-CB 4.19Å |
| 189 | T | 90 | Very high | 87.7 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.6 | -177.6 | -44.2 | 0 | 0 | 0 | 0 | 110.1 | Q223 L224 K225 T248 S249 | T189-Q223 HydrophobicContact CG2-CB 4.05Å; T189-Q223 VanDerWaalsContact CG2-OE1 3.31Å; T189-L224 CarbonylContact C-O 3.59Å; T189-L224 VanDerWaalsContact CA-O 3.3Å; T189-L224 WeakPolarHBondContact CA-O 3.39Å; T189-K225 HydrophobicContact CG2-CG 4.17Å; T189-T248 PolarHBondContact O-N 3.4Å; T189-S249 VanDerWaalsContact CB-OG 3.24Å; T189-S249 WeakPolarHBondContact CB-OG 3.38Å; T189-S249 PolarHBondContact N-O 3.38Å; T189-S249 PolarHBondContact O-N 3.17Å; T189-S249 PolarHBondContact OG1-OG 3.05Å |
| 190 | A | 89.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152 | 174 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q223 L224 F226 | A190-Q223 CarbonylContact O-C 3.59Å; A190-Q223 WeakPolarHBondContact O-CA 3.33Å; A190-L224 PolarHBondContact N-O 2.85Å; A190-L224 PolarHBondContact O-N 3.29Å; A190-F226 HydrophobicContact CB-CE2 4.3Å |
| 191 | P | 87.8 | Confident | 87.8 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 143.9 | 170.2 | 29.4 | -29.7 | 0 | 0 | 0 | 109.4 | E193 H246 T248 | P191-E193 HydrophobicContact CB-CG 4.28Å; P191-E193 PolarHBondContact O-N 2.71Å; P191-H246 WeakPolarHBondContact CD-O 3.38Å; P191-T248 WeakPolarHBondContact CD-OG1 3.39Å |
| 192 | A | 83.8 | Confident | 88 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | -81.1 | 3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D194 V195 L222 L224 | A192-D194 PolarHBondContact O-N 2.92Å; A192-D194 VanDerWaalsContact O-N 3.14Å; A192-V195 PolarHBondContact O-N 3.08Å; A192-V195 VanDerWaalsContact O-N 3.15Å; A192-L222 HydrophobicContact CB-CB 3.7Å; A192-L222 WeakPolarHBondContact CB-O 3.25Å; A192-L222 PolarHBondContact N-O 3.46Å; A192-L224 HydrophobicContact CB-CD1 4.41Å; A192-L224 HydrophobicContact CB-CD2 4.26Å; A192-L224 HydrophobicContact CB-CG 3.89Å | ||
| 193 | E | 77.8 | Confident | 88 | Confident | 131 Ų | 131 | 54.6 Ų | 54.6 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 118.8 | -179.4 | -65 | -178.9 | -177.2 | 0 | 0 | 110 | P191 V195 | P191-E193 HydrophobicContact CB-CG 4.28Å; P191-E193 PolarHBondContact O-N 2.71Å; E193-V195 VanDerWaalsContact C-N 3.29Å; E193-V195 PolarHBondContact O-N 2.74Å |
| 194 | D | 71.3 | Confident | 88 | Confident | 164 Ų | 164 | 51.8 Ų | 51.8 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 18 | 179 | -54.1 | -40.3 | 0 | 0 | 0 | 116.8 | A192 | A192-D194 PolarHBondContact O-N 2.92Å; A192-D194 VanDerWaalsContact O-N 3.14Å |
| 195 | V | 82 | Confident | 88 | Confident | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | trans | -114.6 | 116.8 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | A192 E193 K199 A200 M203 L224 L245 | A192-V195 PolarHBondContact O-N 3.08Å; A192-V195 VanDerWaalsContact O-N 3.15Å; E193-V195 VanDerWaalsContact C-N 3.29Å; E193-V195 PolarHBondContact O-N 2.74Å; V195-K199 HydrophobicContact CG1-CB 4.31Å; V195-A200 HydrophobicContact CG1-CB 3.94Å; V195-M203 HydrophobicContact CG1-CE 3.43Å; V195-M203 VanDerWaalsContact CG1-CE 3.43Å; V195-M203 HydrophobicContact CG2-CE 4.4Å; V195-L224 HydrophobicContact CB-CD1 4.03Å; V195-L224 HydrophobicContact CG1-CD1 3.78Å; V195-L245 HydrophobicContact CG2-CD2 3.77Å | ||
| 196 | S | 85.7 | Confident | 88 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 47% | 0.469 | 31% | 0.312 | S | S | . | . | trans | -70.5 | 151.5 | 170.7 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | E198 K199 A200 | S196-E198 PolarHBondContact O-N 3.39Å; S196-K199 PolarHBondContact O-N 3.39Å; S196-K199 WeakPolarHBondContact OG-CB 3.48Å; S196-K199 PolarHBondContact OG-N 2.86Å; S196-A200 PolarHBondContact O-N 2.84Å | ||
| 197 | A | 84.8 | Confident | 88 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -52.7 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A200 L201 E214 | A197-A200 WeakPolarHBondContact O-CB 3.29Å; A197-A200 PolarHBondContact O-N 3.37Å; A197-L201 WeakPolarHBondContact O-CG 3.14Å; A197-L201 PolarHBondContact O-N 3.37Å; A197-E214 VanDerWaalsContact CB-OE1 3.29Å; A197-E214 WeakPolarHBondContact CB-OE1 3.44Å |
| 198 | E | 88.1 | Confident | 88 | Confident | 148 Ų | 148 | 61.1 Ų | 61.1 | 69% | 0.692 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.7 | -46.8 | 176.2 | -64.8 | 179.4 | 168.4 | 0 | 0 | 111.9 | S196 A200 L201 E202 | S196-E198 PolarHBondContact O-N 3.39Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 2.76Å; E198-L201 PolarHBondContact O-N 3.1Å; E198-E202 WeakPolarHBondContact O-CG 3.28Å; E198-E202 PolarHBondContact O-N 3.33Å |
| 199 | K | 90.3 | Very high | 88 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 178.4 | -169.9 | -178.1 | 177.3 | -173.1 | 0 | 111.5 | V195 S196 L201 E202 M203 | V195-K199 HydrophobicContact CG1-CB 4.31Å; S196-K199 PolarHBondContact O-N 3.39Å; S196-K199 WeakPolarHBondContact OG-CB 3.48Å; S196-K199 PolarHBondContact OG-N 2.86Å; K199-L201 VanDerWaalsContact C-N 3.32Å; K199-L201 PolarHBondContact O-N 2.77Å; K199-E202 PolarHBondContact O-N 3.47Å; K199-M203 HydrophobicContact CG-CE 4.13Å; K199-M203 HydrophobicContact CG-SD 4.48Å; K199-M203 WeakPolarHBondContact O-CE 3.35Å; K199-M203 VanDerWaalsContact O-CG 3.3Å; K199-M203 WeakPolarHBondContact O-CG 3.27Å; K199-M203 PolarHBondContact O-N 2.89Å |
| 200 | A | 89.1 | Confident | 88.1 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V195 S196 A197 E198 M203 A204 V212 L224 F226 | V195-A200 HydrophobicContact CG1-CB 3.94Å; S196-A200 PolarHBondContact O-N 2.84Å; A197-A200 WeakPolarHBondContact O-CB 3.29Å; A197-A200 PolarHBondContact O-N 3.37Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 2.76Å; A200-M203 PolarHBondContact O-N 2.99Å; A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3.35Å; A200-V212 HydrophobicContact CB-CG1 4.29Å; A200-L224 HydrophobicContact CB-CD1 3.65Å; A200-L224 HydrophobicContact CB-CD2 4.23Å; A200-F226 WeakPolarHBondContact O-CE1 3.47Å |
| 201 | L | 90.6 | Very high | 88.1 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.4 | -70.6 | 167.1 | 0 | 0 | 0 | 112.3 | A197 E198 K199 A204 I205 V212 | A197-L201 WeakPolarHBondContact O-CG 3.14Å; A197-L201 PolarHBondContact O-N 3.37Å; E198-L201 PolarHBondContact O-N 3.1Å; K199-L201 VanDerWaalsContact C-N 3.32Å; K199-L201 PolarHBondContact O-N 2.77Å; L201-A204 WeakPolarHBondContact O-CB 3.42Å; L201-A204 PolarHBondContact O-N 3.45Å; L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.27Å; L201-I205 PolarHBondContact O-N 3.19Å; L201-V212 HydrophobicContact CD2-CB 4.23Å; L201-V212 HydrophobicContact CD2-CG2 4.24Å |
| 202 | E | 91.8 | Very high | 88.2 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.7 | -49.6 | 174.8 | -71.5 | 175.2 | 174.4 | 0 | 0 | 111.4 | E198 K199 A204 I205 E206 | E198-E202 WeakPolarHBondContact O-CG 3.28Å; E198-E202 PolarHBondContact O-N 3.33Å; K199-E202 PolarHBondContact O-N 3.47Å; E202-A204 VanDerWaalsContact C-N 3.29Å; E202-A204 PolarHBondContact O-N 3.48Å; E202-I205 PolarHBondContact O-N 2.86Å; E202-E206 WeakPolarHBondContact O-CG 3.37Å; E202-E206 PolarHBondContact O-N 3.42Å |
| 203 | M | 91.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 73 Ų | 73 | 5% | 0.054 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 178.1 | -69 | -175.3 | -63.6 | 0 | 0 | 112.5 | V195 K199 A200 E206 A207 L240 L243 L245 | V195-M203 HydrophobicContact CG1-CE 3.43Å; V195-M203 VanDerWaalsContact CG1-CE 3.43Å; V195-M203 HydrophobicContact CG2-CE 4.4Å; K199-M203 HydrophobicContact CG-CE 4.13Å; K199-M203 HydrophobicContact CG-SD 4.48Å; K199-M203 WeakPolarHBondContact O-CE 3.35Å; K199-M203 VanDerWaalsContact O-CG 3.3Å; K199-M203 WeakPolarHBondContact O-CG 3.27Å; K199-M203 PolarHBondContact O-N 2.89Å; A200-M203 PolarHBondContact O-N 2.99Å; M203-E206 PolarHBondContact O-N 2.86Å; M203-A207 WeakPolarHBondContact O-CB 3.42Å; M203-A207 PolarHBondContact O-N 2.81Å; M203-L240 HydrophobicContact CB-CD2 4.22Å; M203-L243 HydrophobicContact CB-CD1 4.02Å; M203-L243 HydrophobicContact CG-CD1 4.08Å; M203-L243 HydrophobicContact SD-CB 4.4Å; M203-L245 HydrophobicContact CE-CD1 3.73Å; M203-L245 HydrophobicContact CE-CD2 3.89Å; M203-L245 HydrophobicContact CE-CG 4.02Å; M203-L245 HydrophobicContact SD-CD1 3.78Å; M203-L245 HydrophobicContact SD-CD2 4.22Å; M203-L245 HydrophobicContact SD-CG 3.83Å |
| 204 | A | 92.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.033 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A200 L201 E202 A207 G208 A209 V212 F226 | A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3.35Å; L201-A204 WeakPolarHBondContact O-CB 3.42Å; L201-A204 PolarHBondContact O-N 3.45Å; E202-A204 VanDerWaalsContact C-N 3.29Å; E202-A204 PolarHBondContact O-N 3.48Å; A204-A207 PolarHBondContact O-N 2.91Å; A204-G208 PolarHBondContact O-N 3.31Å; A204-A209 HydrophobicContact CB-CB 4.06Å; A204-A209 PolarHBondContact O-N 2.81Å; A204-V212 HydrophobicContact CB-CG2 3.14Å; A204-F226 HydrophobicContact CB-CD1 3.76Å; A204-F226 HydrophobicContact CB-CE1 3.92Å |
| 205 | I | 92.9 | Very high | 89 | Confident | 135 Ų | 135 | 66.5 Ų | 66.5 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 177.2 | -67 | 165.1 | 0 | 0 | 0 | 110.3 | L201 E202 G208 | L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.27Å; L201-I205 PolarHBondContact O-N 3.19Å; E202-I205 PolarHBondContact O-N 2.86Å; I205-G208 PolarHBondContact O-N 2.9Å |
| 206 | E | 92 | Very high | 88.7 | Confident | 136 Ų | 136 | 71.7 Ų | 71.7 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 178.1 | -71.4 | -176.2 | 174.7 | 0 | 0 | 112.7 | E202 M203 G208 L243 | E202-E206 WeakPolarHBondContact O-CG 3.37Å; E202-E206 PolarHBondContact O-N 3.42Å; M203-E206 PolarHBondContact O-N 2.86Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.44Å; E206-L243 HydrophobicContact CB-CD1 4.27Å; E206-L243 WeakPolarHBondContact OE2-CD2 3.48Å |
| 207 | A | 92.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.7 | -22.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M203 A204 V236 L240 | M203-A207 WeakPolarHBondContact O-CB 3.42Å; M203-A207 PolarHBondContact O-N 2.81Å; A204-A207 PolarHBondContact O-N 2.91Å; A207-V236 HydrophobicContact CB-CG1 4.22Å; A207-L240 HydrophobicContact CB-CD2 3.77Å; A207-L240 HydrophobicContact CB-CG 3.86Å |
| 208 | G | 91.9 | Very high | 87 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 31.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A204 I205 E206 | A204-G208 PolarHBondContact O-N 3.31Å; I205-G208 PolarHBondContact O-N 2.9Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.44Å |
| 209 | A | 92.9 | Very high | 86.1 | Confident | 16 Ų | 16 | 74.5 Ų | 74.5 | 13% | 0.132 | 37% | 0.374 | C | S | . | . | trans | -75.3 | 146.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A204 F226 V227 V236 | A204-A209 HydrophobicContact CB-CB 4.06Å; A204-A209 PolarHBondContact O-N 2.81Å; A209-F226 HydrophobicContact CB-CB 4.16Å; A209-F226 HydrophobicContact CB-CD1 4.48Å; A209-V227 CarbonylContact C-O 3.55Å; A209-V236 HydrophobicContact CB-CG1 4.25Å | ||
| 210 | E | 91.8 | Very high | 85.1 | Confident | 130 Ų | 130 | 77.5 Ų | 77.5 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -82.8 | -32.5 | -179.4 | -67.1 | -179.3 | -164.5 | 0 | 0 | 112.3 | M185 V227 A229 | M185-E210 WeakPolarHBondContact CE-OE2 3.17Å; E210-V227 PolarHBondContact N-O 3.02Å; E210-A229 PolarHBondContact OE1-N 3.45Å |
| 211 | D | 89.2 | Confident | 84.6 | Confident | 79 Ų | 79 | 82 Ų | 82 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 157.1 | -176.6 | -170.8 | 26.4 | 0 | 0 | 0 | 111.2 | Q213 V227 | D211-Q213 PolarHBondContact OD2-NE2 3.21Å; D211-V227 HydrophobicContact CB-CB 4.13Å; D211-V227 PolarHBondContact N-O 3.29Å; D211-V227 PolarHBondContact O-N 2.92Å |
| 212 | V | 90.6 | Very high | 84.3 | Confident | 24 Ų | 24 | 82 Ų | 82 | 15% | 0.145 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.4 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | A200 L201 A204 L224 K225 F226 | A200-V212 HydrophobicContact CB-CG1 4.29Å; L201-V212 HydrophobicContact CD2-CB 4.23Å; L201-V212 HydrophobicContact CD2-CG2 4.24Å; A204-V212 HydrophobicContact CB-CG2 3.14Å; V212-L224 HydrophobicContact CG1-CD2 4.48Å; V212-K225 WeakPolarHBondContact CA-O 3.32Å; V212-F226 HydrophobicContact CG1-CD1 4.46Å; V212-F226 HydrophobicContact CG1-CE1 4.3Å; V212-F226 HydrophobicContact CG2-CD1 3.79Å; V212-F226 HydrophobicContact CG2-CE1 4Å |
| 213 | Q | 85.8 | Confident | 84 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 28% | 0.276 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.2 | -179.5 | -60.1 | 176.3 | 5.4 | 0 | 0 | 109.9 | D211 K225 | D211-Q213 PolarHBondContact OD2-NE2 3.21Å; Q213-K225 HydrophobicContact CB-CB 4.28Å; Q213-K225 PolarHBondContact N-O 3.1Å; Q213-K225 PolarHBondContact O-N 2.83Å |
| 214 | E | 84.3 | Confident | 83.9 | Confident | 124 Ų | 124 | 77.3 Ų | 77.3 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.3 | 170.4 | -58.4 | -173.4 | 171.8 | 0 | 0 | 108.5 | A197 L224 | A197-E214 VanDerWaalsContact CB-OE1 3.29Å; A197-E214 WeakPolarHBondContact CB-OE1 3.44Å; E214-L224 HydrophobicContact CG-CD2 3.82Å |
| 215 | T | 78.3 | Confident | 83.8 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.3 | -177.9 | 56.4 | 0 | 0 | 0 | 0 | 110 | L222 Q223 K225 | T215-L222 CarbonylContact O-C 3.58Å; T215-Q223 PolarHBondContact N-O 2.93Å; T215-Q223 PolarHBondContact O-N 3.47Å; T215-Q223 VanDerWaalsContact O-O 3.09Å; T215-Q223 PolarHBondContact OG1-O 3.11Å; T215-K225 HydrophobicContact CG2-CD 3.94Å; T215-K225 HydrophobicContact CG2-CG 4.45Å; T215-K225 WeakPolarHBondContact OG1-CE 3.39Å |
| 216 | E | 75.3 | Confident | 83.8 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 146.8 | 173.1 | -68.6 | 175 | -174.3 | 0 | 0 | 110.5 | K221 L222 | E216-K221 WeakPolarHBondContact CA-O 3.43Å; E216-L222 HydrophobicContact CG-CD2 3.88Å |
| 217 | D | 69.9 | Low | 83.8 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | trans | -88.7 | -179.2 | 173.1 | 73 | 10.6 | 0 | 0 | 0 | 113.4 | E219 E220 K221 Q223 | D217-E219 PolarHBondContact O-N 3.07Å; D217-E219 VanDerWaalsContact OD1-C 3.32Å; D217-E219 VanDerWaalsContact OD1-CA 3.31Å; D217-E219 WeakPolarHBondContact OD1-CA 3.09Å; D217-E219 WeakPolarHBondContact OD1-CB 3.3Å; D217-E219 PolarHBondContact OD1-N 3.48Å; D217-E220 PolarHBondContact O-N 3.2Å; D217-E220 PolarHBondContact OD1-N 2.97Å; D217-K221 PolarHBondContact N-O 2.76Å; D217-K221 WeakPolarHBondContact OD1-CB 3.43Å; D217-K221 PolarHBondContact OD1-N 3.02Å; D217-Q223 HydrophobicContact CB-CG 4.16Å; D217-Q223 VanDerWaalsContact CB-NE2 3.26Å; D217-Q223 PolarHBondContact OD2-NE2 2.98Å | ||
| 218 | E | 65.1 | Low | 84 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.8 | 178.6 | -62.1 | 171.9 | -142 | 0 | 0 | 113.4 | M77 K112 | M77-E218 WeakPolarHBondContact CE-OE2 3.5Å; K112-E218 IonicContact NZ-OE1 2.98Å; K112-E218 PolarHBondContact NZ-OE1 2.94Å |
| 219 | E | 70.1 | Confident | 84.1 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 62% | 0.617 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 14.3 | 176.9 | -59.2 | -173.8 | 167.9 | 0 | 0 | 112.6 | D217 K221 | D217-E219 PolarHBondContact O-N 3.07Å; D217-E219 VanDerWaalsContact OD1-C 3.32Å; D217-E219 VanDerWaalsContact OD1-CA 3.31Å; D217-E219 WeakPolarHBondContact OD1-CA 3.09Å; D217-E219 WeakPolarHBondContact OD1-CB 3.3Å; D217-E219 PolarHBondContact OD1-N 3.48Å; E219-K221 HydrophobicContact CB-CD 4.43Å; E219-K221 HydrophobicContact CB-CG 4.41Å; E219-K221 PolarHBondContact O-N 3.09Å; E219-K221 WeakPolarHBondContact OE2-CE 3.36Å; E219-K221 IonicContact OE2-NZ 2.84Å; E219-K221 PolarHBondContact OE2-NZ 3.44Å |
| 220 | E | 70.2 | Confident | 84.1 | Confident | 163 Ų | 163 | 68.7 Ų | 68.7 | 76% | 0.762 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 59.9 | 26.8 | -177 | -58.3 | 173.7 | 177.8 | 0 | 0 | 112.9 | D217 | D217-E220 PolarHBondContact O-N 3.2Å; D217-E220 PolarHBondContact OD1-N 2.97Å |
| 221 | K | 78.6 | Confident | 84.1 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | trans | -91.4 | 136.4 | 173.5 | -64.3 | 172.2 | 177.8 | 158.8 | 0 | 110.4 | E216 D217 E219 Q223 | E216-K221 WeakPolarHBondContact CA-O 3.43Å; D217-K221 PolarHBondContact N-O 2.76Å; D217-K221 WeakPolarHBondContact OD1-CB 3.43Å; D217-K221 PolarHBondContact OD1-N 3.02Å; E219-K221 HydrophobicContact CB-CD 4.43Å; E219-K221 HydrophobicContact CB-CG 4.41Å; E219-K221 PolarHBondContact O-N 3.09Å; E219-K221 WeakPolarHBondContact OE2-CE 3.36Å; E219-K221 IonicContact OE2-NZ 2.84Å; E219-K221 PolarHBondContact OE2-NZ 3.44Å; K221-Q223 PolarHBondContact O-N 2.85Å | ||
| 222 | L | 82.5 | Confident | 84.3 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 131.3 | 175.9 | -66 | 170.9 | 0 | 0 | 0 | 111.2 | A192 T215 E216 | A192-L222 HydrophobicContact CB-CB 3.7Å; A192-L222 WeakPolarHBondContact CB-O 3.25Å; A192-L222 PolarHBondContact N-O 3.46Å; T215-L222 CarbonylContact O-C 3.58Å; E216-L222 HydrophobicContact CG-CD2 3.88Å |
| 223 | Q | 85.9 | Confident | 84.3 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.9 | 178.5 | -63.5 | -168.6 | -13.1 | 0 | 0 | 109.9 | T189 A190 T215 D217 K221 | T189-Q223 HydrophobicContact CG2-CB 4.05Å; T189-Q223 VanDerWaalsContact CG2-OE1 3.31Å; A190-Q223 CarbonylContact O-C 3.59Å; A190-Q223 WeakPolarHBondContact O-CA 3.33Å; T215-Q223 PolarHBondContact N-O 2.93Å; T215-Q223 PolarHBondContact O-N 3.47Å; T215-Q223 VanDerWaalsContact O-O 3.09Å; T215-Q223 PolarHBondContact OG1-O 3.11Å; D217-Q223 HydrophobicContact CB-CG 4.16Å; D217-Q223 VanDerWaalsContact CB-NE2 3.26Å; D217-Q223 PolarHBondContact OD2-NE2 2.98Å; K221-Q223 PolarHBondContact O-N 2.85Å |
| 224 | L | 89.4 | Confident | 84.5 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.2 | 173.8 | -60.4 | 173.5 | 0 | 0 | 0 | 109.1 | T189 A190 A192 V195 A200 V212 E214 F226 | T189-L224 CarbonylContact C-O 3.59Å; T189-L224 VanDerWaalsContact CA-O 3.3Å; T189-L224 WeakPolarHBondContact CA-O 3.39Å; A190-L224 PolarHBondContact N-O 2.85Å; A190-L224 PolarHBondContact O-N 3.29Å; A192-L224 HydrophobicContact CB-CD1 4.41Å; A192-L224 HydrophobicContact CB-CD2 4.26Å; A192-L224 HydrophobicContact CB-CG 3.89Å; V195-L224 HydrophobicContact CB-CD1 4.03Å; V195-L224 HydrophobicContact CG1-CD1 3.78Å; A200-L224 HydrophobicContact CB-CD1 3.65Å; A200-L224 HydrophobicContact CB-CD2 4.23Å; V212-L224 HydrophobicContact CG1-CD2 4.48Å; E214-L224 HydrophobicContact CG-CD2 3.82Å; L224-F226 HydrophobicContact CB-CD2 4.45Å; L224-F226 HydrophobicContact CB-CE2 3.74Å; L224-F226 HydrophobicContact CB-CZ 4.17Å; L224-F226 HydrophobicContact CD1-CE2 4.45Å; L224-F226 HydrophobicContact CD1-CZ 4.22Å |
| 225 | K | 89.9 | Confident | 84.9 | Confident | 56 Ų | 56 | 68 Ų | 68 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 110.9 | 172.1 | -68.6 | -174 | -178.6 | -173.5 | 0 | 109.4 | V187 V188 T189 V212 Q213 T215 | V187-K225 HydrophobicContact CG1-CB 4.07Å; V187-K225 HydrophobicContact CG1-CD 4.24Å; V187-K225 HydrophobicContact CG1-CG 4.22Å; V188-K225 WeakPolarHBondContact O-CA 3.49Å; T189-K225 HydrophobicContact CG2-CG 4.17Å; V212-K225 WeakPolarHBondContact CA-O 3.32Å; Q213-K225 HydrophobicContact CB-CB 4.28Å; Q213-K225 PolarHBondContact N-O 3.1Å; Q213-K225 PolarHBondContact O-N 2.83Å; T215-K225 HydrophobicContact CG2-CD 3.94Å; T215-K225 HydrophobicContact CG2-CG 4.45Å; T215-K225 WeakPolarHBondContact OG1-CE 3.39Å |
| 226 | F | 93.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 115.8 | 172.4 | -59.1 | -93.8 | 0 | 0 | 0 | 108.5 | V187 V188 A190 A200 A204 A209 V212 L224 L240 L245 | V187-F226 WeakPolarHBondContact CA-O 3.35Å; V188-F226 HydrophobicContact CB-CB 4.34Å; V188-F226 PolarHBondContact N-O 2.75Å; V188-F226 PolarHBondContact O-N 3.24Å; A190-F226 HydrophobicContact CB-CE2 4.3Å; A200-F226 WeakPolarHBondContact O-CE1 3.47Å; A204-F226 HydrophobicContact CB-CD1 3.76Å; A204-F226 HydrophobicContact CB-CE1 3.92Å; A209-F226 HydrophobicContact CB-CB 4.16Å; A209-F226 HydrophobicContact CB-CD1 4.48Å; V212-F226 HydrophobicContact CG1-CD1 4.46Å; V212-F226 HydrophobicContact CG1-CE1 4.3Å; V212-F226 HydrophobicContact CG2-CD1 3.79Å; V212-F226 HydrophobicContact CG2-CE1 4Å; L224-F226 HydrophobicContact CB-CD2 4.45Å; L224-F226 HydrophobicContact CB-CE2 3.74Å; L224-F226 HydrophobicContact CB-CZ 4.17Å; L224-F226 HydrophobicContact CD1-CE2 4.45Å; L224-F226 HydrophobicContact CD1-CZ 4.22Å; F226-L240 HydrophobicContact CB-CD1 4Å; F226-L240 HydrophobicContact CD1-CD1 4.19Å; F226-L240 HydrophobicContact CD1-CD2 4.13Å; F226-L240 HydrophobicContact CD2-CD1 3.81Å; F226-L240 HydrophobicContact CE1-CD2 4.01Å; F226-L240 HydrophobicContact CE2-CD1 4.35Å; F226-L240 HydrophobicContact CG-CD1 3.73Å; F226-L240 HydrophobicContact CG-CD2 4.45Å; F226-L240 HydrophobicContact CZ-CD2 4.23Å; F226-L245 HydrophobicContact CE2-CD1 4.01Å; F226-L245 HydrophobicContact CZ-CD1 3.83Å |
| 227 | V | 93.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.9 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | M185 G186 V187 A209 E210 D211 V255 | M185-V227 HydrophobicContact CB-CG1 3.74Å; M185-V227 HydrophobicContact CE-CG1 4.16Å; M185-V227 HydrophobicContact CG-CG1 4.07Å; G186-V227 CarbonylContact O-C 3.57Å; G186-V227 WeakPolarHBondContact O-CA 3.37Å; V187-V227 HydrophobicContact CG2-CG2 4.44Å; A209-V227 CarbonylContact C-O 3.55Å; E210-V227 PolarHBondContact N-O 3.02Å; D211-V227 HydrophobicContact CB-CB 4.13Å; D211-V227 PolarHBondContact N-O 3.29Å; D211-V227 PolarHBondContact O-N 2.92Å; V227-V255 HydrophobicContact CG1-CG2 4Å; V227-V255 HydrophobicContact CG2-CG2 4.37Å |
| 228 | C | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 167.8 | -179.1 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | M185 G186 V236 | M185-C228 WeakPolarHBondContact CE-O 3.24Å; G186-C228 PolarHBondContact N-O 2.7Å; G186-C228 PolarHBondContact O-N 2.86Å; G186-C228 PolarHBondContact O-SG 3.27Å; C228-V236 HydrophobicContact CB-CG2 3.82Å |
| 229 | A | 94.3 | Very high | 88.9 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | trans | -59.2 | 146.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E210 S231 D232 L233 | E210-A229 PolarHBondContact OE1-N 3.45Å; A229-S231 PolarHBondContact O-N 2.77Å; A229-S231 VanDerWaalsContact O-N 3.12Å; A229-D232 PolarHBondContact O-N 3.07Å; A229-L233 PolarHBondContact O-N 2.61Å | ||
| 230 | V | 92.6 | Very high | 89.9 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -34.9 | -179.5 | 175 | 0 | 0 | 0 | 0 | 112.5 | Q184 D232 L252 | Q184-V230 HydrophobicContact CG-CG2 4.44Å; Q184-V230 VanDerWaalsContact O-CG2 3.27Å; Q184-V230 WeakPolarHBondContact O-CG2 3.24Å; V230-D232 VanDerWaalsContact C-N 3.32Å; V230-D232 PolarHBondContact O-N 2.96Å; V230-L252 HydrophobicContact CB-CD2 4.32Å; V230-L252 HydrophobicContact CG1-CD1 4.1Å; V230-L252 HydrophobicContact CG1-CD2 3.76Å; V230-L252 HydrophobicContact CG2-CD2 4.23Å |
| 231 | S | 92.6 | Very high | 91 | Very high | 102 Ų | 102 | 47 Ų | 47 | 71% | 0.713 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29 | 177.6 | 43 | 0 | 0 | 0 | 0 | 113.8 | A229 | A229-S231 PolarHBondContact O-N 2.77Å; A229-S231 VanDerWaalsContact O-N 3.12Å |
| 232 | D | 93.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -4.5 | -170.4 | -66.7 | -60.9 | 0 | 0 | 0 | 113.3 | A229 V230 N234 K235 V236 | A229-D232 PolarHBondContact O-N 3.07Å; V230-D232 VanDerWaalsContact C-N 3.32Å; V230-D232 PolarHBondContact O-N 2.96Å; D232-N234 VanDerWaalsContact C-N 3.29Å; D232-N234 PolarHBondContact O-N 2.85Å; D232-N234 VanDerWaalsContact O-N 3.13Å; D232-K235 WeakPolarHBondContact O-CA 3.39Å; D232-K235 WeakPolarHBondContact O-CB 3.43Å; D232-K235 PolarHBondContact O-N 2.85Å; D232-V236 HydrophobicContact CB-CG2 4.28Å; D232-V236 WeakPolarHBondContact O-CG2 3.33Å; D232-V236 PolarHBondContact O-N 2.83Å |
| 233 | L | 90.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -45 | -50.8 | -178.6 | -177 | 85 | 0 | 0 | 0 | 113 | G186 V188 A229 R237 G251 L252 | G186-L233 VanDerWaalsContact CA-CD1 3.48Å; V188-L233 HydrophobicContact CG2-CD1 4.14Å; A229-L233 PolarHBondContact O-N 2.61Å; L233-R237 VanDerWaalsContact O-CB 3.25Å; L233-R237 WeakPolarHBondContact O-CB 3.35Å; L233-R237 PolarHBondContact O-N 2.85Å; L233-G251 WeakPolarHBondContact CD1-O 3.49Å; L233-L252 HydrophobicContact CD2-CD2 4.34Å |
| 234 | N | 89.9 | Confident | 91.9 | Very high | 96 Ų | 96 | 46.6 Ų | 46.6 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70 | -34.5 | -177 | -68 | -29.8 | 0 | 0 | 0 | 112.5 | D232 G238 | D232-N234 VanDerWaalsContact C-N 3.29Å; D232-N234 PolarHBondContact O-N 2.85Å; D232-N234 VanDerWaalsContact O-N 3.13Å; N234-G238 PolarHBondContact O-N 3.27Å; N234-G238 VanDerWaalsContact O-N 3.08Å |
| 235 | K | 93.1 | Very high | 91.8 | Very high | 131 Ų | 131 | 47.2 Ų | 47.2 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.1 | -50.6 | 177.1 | 177.9 | -170.9 | 169.1 | -163.9 | 0 | 109.9 | D232 R237 G238 S239 | D232-K235 WeakPolarHBondContact O-CA 3.39Å; D232-K235 WeakPolarHBondContact O-CB 3.43Å; D232-K235 PolarHBondContact O-N 2.85Å; K235-R237 VanDerWaalsContact C-N 3.34Å; K235-R237 PolarHBondContact O-N 2.84Å; K235-G238 PolarHBondContact O-N 2.91Å; K235-S239 WeakPolarHBondContact O-CB 3.37Å; K235-S239 PolarHBondContact O-N 2.83Å; K235-S239 PolarHBondContact O-OG 2.83Å; K235-S239 VanDerWaalsContact O-OG 3.11Å |
| 236 | V | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 179 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | V188 A207 A209 C228 D232 G238 S239 L240 | V188-V236 HydrophobicContact CG2-CG1 4.28Å; A207-V236 HydrophobicContact CB-CG1 4.22Å; A209-V236 HydrophobicContact CB-CG1 4.25Å; C228-V236 HydrophobicContact CB-CG2 3.82Å; D232-V236 HydrophobicContact CB-CG2 4.28Å; D232-V236 WeakPolarHBondContact O-CG2 3.33Å; D232-V236 PolarHBondContact O-N 2.83Å; V236-G238 PolarHBondContact O-N 3.03Å; V236-S239 PolarHBondContact O-N 3.4Å; V236-L240 HydrophobicContact CG1-CD1 3.7Å; V236-L240 HydrophobicContact CG1-CG 4.28Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.35Å; V236-L240 PolarHBondContact O-N 3.33Å |
| 237 | R | 91.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.3 | -55.1 | 173.6 | -176.6 | -163.5 | 174 | 154.5 | 5.3 | 111.8 | N104 E107 V188 L233 K235 S239 L240 E241 I247 A250 | N104-R237 PolarHBondContact OD1-NH1 3.33Å; E107-R237 IonicContact OE2-NH2 3.37Å; E107-R237 PolarHBondContact OE2-NH2 3.15Å; E107-R237 VanDerWaalsContact OE2-NH2 3.1Å; V188-R237 HydrophobicContact CG2-CB 4.4Å; L233-R237 VanDerWaalsContact O-CB 3.25Å; L233-R237 WeakPolarHBondContact O-CB 3.35Å; L233-R237 PolarHBondContact O-N 2.85Å; K235-R237 VanDerWaalsContact C-N 3.34Å; K235-R237 PolarHBondContact O-N 2.84Å; R237-S239 VanDerWaalsContact C-N 3.34Å; R237-S239 PolarHBondContact O-N 2.77Å; R237-L240 PolarHBondContact O-N 2.71Å; R237-E241 IonicContact CZ-OE1 2.76Å; R237-E241 IonicContact NE-OE1 3.59Å; R237-E241 PolarHBondContact NE-OE1 2.84Å; R237-E241 IonicContact NH2-OE1 3.39Å; R237-E241 PolarHBondContact O-N 2.82Å; R237-I247 HydrophobicContact CB-CD1 4.09Å; R237-I247 HydrophobicContact CG-CD1 3.36Å; R237-I247 VanDerWaalsContact O-CD1 3.28Å; R237-I247 WeakPolarHBondContact O-CD1 3.1Å; R237-A250 HydrophobicContact CG-CB 4.4Å |
| 238 | G | 91.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 54.1 Ų | 54.1 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N234 K235 V236 G242 | N234-G238 PolarHBondContact O-N 3.27Å; N234-G238 VanDerWaalsContact O-N 3.08Å; K235-G238 PolarHBondContact O-N 2.91Å; V236-G238 PolarHBondContact O-N 3.03Å; G238-G242 PolarHBondContact O-N 3.07Å |
| 239 | S | 93.8 | Very high | 90.7 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 175.2 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | K235 V236 R237 E241 G242 L243 | K235-S239 WeakPolarHBondContact O-CB 3.37Å; K235-S239 PolarHBondContact O-N 2.83Å; K235-S239 PolarHBondContact O-OG 2.83Å; K235-S239 VanDerWaalsContact O-OG 3.11Å; V236-S239 PolarHBondContact O-N 3.4Å; R237-S239 VanDerWaalsContact C-N 3.34Å; R237-S239 PolarHBondContact O-N 2.77Å; S239-E241 PolarHBondContact O-N 3.13Å; S239-G242 PolarHBondContact O-N 3.11Å; S239-G242 VanDerWaalsContact O-N 3.14Å; S239-L243 WeakPolarHBondContact O-CG 3.39Å; S239-L243 PolarHBondContact O-N 3.29Å |
| 240 | L | 92.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 179 | -67.1 | 170 | 0 | 0 | 0 | 111.7 | V188 M203 A207 F226 V236 R237 G242 L243 G244 L245 I247 | V188-L240 HydrophobicContact CB-CD1 4.22Å; V188-L240 HydrophobicContact CG1-CD1 3.87Å; M203-L240 HydrophobicContact CB-CD2 4.22Å; A207-L240 HydrophobicContact CB-CD2 3.77Å; A207-L240 HydrophobicContact CB-CG 3.86Å; F226-L240 HydrophobicContact CB-CD1 4Å; F226-L240 HydrophobicContact CD1-CD1 4.19Å; F226-L240 HydrophobicContact CD1-CD2 4.13Å; F226-L240 HydrophobicContact CD2-CD1 3.81Å; F226-L240 HydrophobicContact CE1-CD2 4.01Å; F226-L240 HydrophobicContact CE2-CD1 4.35Å; F226-L240 HydrophobicContact CG-CD1 3.73Å; F226-L240 HydrophobicContact CG-CD2 4.45Å; F226-L240 HydrophobicContact CZ-CD2 4.23Å; V236-L240 HydrophobicContact CG1-CD1 3.7Å; V236-L240 HydrophobicContact CG1-CG 4.28Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.35Å; V236-L240 PolarHBondContact O-N 3.33Å; R237-L240 PolarHBondContact O-N 2.71Å; L240-G242 VanDerWaalsContact C-N 3.32Å; L240-G242 PolarHBondContact O-N 3.34Å; L240-L243 PolarHBondContact O-N 2.8Å; L240-G244 PolarHBondContact O-N 3.32Å; L240-L245 HydrophobicContact CB-CB 4.47Å; L240-L245 HydrophobicContact CB-CD1 4.12Å; L240-L245 HydrophobicContact CD2-CD1 3.7Å; L240-L245 HydrophobicContact CG-CD1 4.39Å; L240-L245 WeakPolarHBondContact O-CB 3.41Å; L240-L245 PolarHBondContact O-N 3.25Å; L240-I247 HydrophobicContact CB-CD1 4.28Å |
| 241 | E | 91.9 | Very high | 90.1 | Very high | 89 Ų | 89 | 52.3 Ų | 52.3 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 171.7 | -76.8 | 169.8 | -170 | 0 | 0 | 111.6 | R237 S239 L243 G244 I247 | R237-E241 IonicContact CZ-OE1 2.76Å; R237-E241 IonicContact NE-OE1 3.59Å; R237-E241 PolarHBondContact NE-OE1 2.84Å; R237-E241 IonicContact NH2-OE1 3.39Å; R237-E241 PolarHBondContact O-N 2.82Å; S239-E241 PolarHBondContact O-N 3.13Å; E241-L243 VanDerWaalsContact C-N 3.3Å; E241-L243 PolarHBondContact O-N 3.44Å; E241-G244 PolarHBondContact O-N 3.37Å; E241-I247 HydrophobicContact CG-CD1 3.57Å; E241-I247 HydrophobicContact CG-CG1 3.98Å |
| 242 | G | 90.3 | Very high | 89.9 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 73% | 0.732 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.9 | -28.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G238 S239 L240 G244 | G238-G242 PolarHBondContact O-N 3.07Å; S239-G242 PolarHBondContact O-N 3.11Å; S239-G242 VanDerWaalsContact O-N 3.14Å; L240-G242 VanDerWaalsContact C-N 3.32Å; L240-G242 PolarHBondContact O-N 3.34Å; G242-G244 PolarHBondContact O-N 3.03Å |
| 243 | L | 89.5 | Confident | 89.8 | Confident | 74 Ų | 74 | 50 Ų | 50 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -1.3 | 173.4 | -65.8 | 170 | 0 | 0 | 0 | 112.9 | M203 E206 S239 L240 E241 | M203-L243 HydrophobicContact CB-CD1 4.02Å; M203-L243 HydrophobicContact CG-CD1 4.08Å; M203-L243 HydrophobicContact SD-CB 4.4Å; E206-L243 HydrophobicContact CB-CD1 4.27Å; E206-L243 WeakPolarHBondContact OE2-CD2 3.48Å; S239-L243 WeakPolarHBondContact O-CG 3.39Å; S239-L243 PolarHBondContact O-N 3.29Å; L240-L243 PolarHBondContact O-N 2.8Å; E241-L243 VanDerWaalsContact C-N 3.3Å; E241-L243 PolarHBondContact O-N 3.44Å |
| 244 | G | 86.6 | Confident | 89.7 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 69% | 0.691 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | 12.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L240 E241 G242 | L240-G244 PolarHBondContact O-N 3.32Å; E241-G244 PolarHBondContact O-N 3.37Å; G242-G244 PolarHBondContact O-N 3.03Å |
| 245 | L | 88.3 | Confident | 89.6 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | trans | -78.8 | 132.7 | 172.4 | -73.1 | 173.7 | 0 | 0 | 0 | 111.2 | V195 M203 F226 L240 I247 | V195-L245 HydrophobicContact CG2-CD2 3.77Å; M203-L245 HydrophobicContact CE-CD1 3.73Å; M203-L245 HydrophobicContact CE-CD2 3.89Å; M203-L245 HydrophobicContact CE-CG 4.02Å; M203-L245 HydrophobicContact SD-CD1 3.78Å; M203-L245 HydrophobicContact SD-CD2 4.22Å; M203-L245 HydrophobicContact SD-CG 3.83Å; F226-L245 HydrophobicContact CE2-CD1 4.01Å; F226-L245 HydrophobicContact CZ-CD1 3.83Å; L240-L245 HydrophobicContact CB-CB 4.47Å; L240-L245 HydrophobicContact CB-CD1 4.12Å; L240-L245 HydrophobicContact CD2-CD1 3.7Å; L240-L245 HydrophobicContact CG-CD1 4.39Å; L240-L245 WeakPolarHBondContact O-CB 3.41Å; L240-L245 PolarHBondContact O-N 3.25Å; L245-I247 PolarHBondContact O-N 2.84Å | ||
| 246 | H | 87.3 | Confident | 89.3 | Confident | 144 Ų | 144 | 42.2 Ų | 42.2 | 67% | 0.667 | 27% | 0.267 | S | S | * | . | trans | -83.9 | 106.3 | 171 | -178 | -74.4 | 0 | 0 | 0 | 110 | P191 T248 | P191-H246 WeakPolarHBondContact CD-O 3.38Å; H246-T248 PolarHBondContact O-N 2.87Å | ||
| 247 | I | 88.2 | Confident | 88.9 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | trans | -74.4 | 126.7 | 179.9 | -61.7 | -179 | 0 | 0 | 0 | 110.4 | V188 R237 L240 E241 L245 A250 | V188-I247 HydrophobicContact CG1-CD1 3.61Å; V188-I247 HydrophobicContact CG1-CG1 3.97Å; V188-I247 HydrophobicContact CG1-CG2 3.79Å; R237-I247 HydrophobicContact CB-CD1 4.09Å; R237-I247 HydrophobicContact CG-CD1 3.36Å; R237-I247 VanDerWaalsContact O-CD1 3.28Å; R237-I247 WeakPolarHBondContact O-CD1 3.1Å; L240-I247 HydrophobicContact CB-CD1 4.28Å; E241-I247 HydrophobicContact CG-CD1 3.57Å; E241-I247 HydrophobicContact CG-CG1 3.98Å; L245-I247 PolarHBondContact O-N 2.84Å; I247-A250 HydrophobicContact CG2-CB 4.42Å | ||
| 248 | T | 85.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 52 Ų | 52 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -84.1 | -42.9 | 175.4 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | T189 P191 H246 | T189-T248 PolarHBondContact O-N 3.4Å; P191-T248 WeakPolarHBondContact CD-OG1 3.39Å; H246-T248 PolarHBondContact O-N 2.87Å |
| 249 | S | 86.3 | Confident | 88.1 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 145.6 | -179.5 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | T189 | T189-S249 VanDerWaalsContact CB-OG 3.24Å; T189-S249 WeakPolarHBondContact CB-OG 3.38Å; T189-S249 PolarHBondContact N-O 3.38Å; T189-S249 PolarHBondContact O-N 3.17Å; T189-S249 PolarHBondContact OG1-OG 3.05Å |
| 250 | A | 88.1 | Confident | 87.5 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | V187 V188 R237 I247 | V187-A250 WeakPolarHBondContact O-CA 3.29Å; V188-A250 HydrophobicContact CG2-CB 4.19Å; R237-A250 HydrophobicContact CG-CB 4.4Å; I247-A250 HydrophobicContact CG2-CB 4.42Å |
| 251 | G | 86 | Confident | 87 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 177 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V187 L233 | V187-G251 PolarHBondContact N-O 3.48Å; V187-G251 PolarHBondContact O-N 3.24Å; L233-G251 WeakPolarHBondContact CD1-O 3.49Å |
| 252 | L | 89.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.9 | 173.2 | -55 | -177.9 | 0 | 0 | 0 | 109.3 | Q184 M185 V230 L233 R285 | Q184-L252 HydrophobicContact CG-CB 4.42Å; M185-L252 WeakPolarHBondContact O-CA 3.37Å; V230-L252 HydrophobicContact CB-CD2 4.32Å; V230-L252 HydrophobicContact CG1-CD1 4.1Å; V230-L252 HydrophobicContact CG1-CD2 3.76Å; V230-L252 HydrophobicContact CG2-CD2 4.23Å; L233-L252 HydrophobicContact CD2-CD2 4.34Å; L252-R285 PolarHBondContact O-NH1 3.39Å |
| 253 | E | 90.4 | Very high | 86.3 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 159.9 | 179.7 | -61.5 | -171.2 | -177.6 | 0 | 0 | 110.5 | Q184 M185 V187 | Q184-E253 WeakPolarHBondContact CA-O 3.39Å; M185-E253 PolarHBondContact N-O 3.27Å; M185-E253 PolarHBondContact O-N 3.14Å; M185-E253 VanDerWaalsContact O-O 3.14Å; V187-E253 HydrophobicContact CB-CB 4.3Å; V187-E253 HydrophobicContact CB-CG 4.19Å; V187-E253 HydrophobicContact CG2-CB 3.83Å; V187-E253 HydrophobicContact CG2-CG 4.28Å |
| 254 | F | 89.6 | Confident | 86.2 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.8 | 173.3 | -77.4 | -81.3 | 0 | 0 | 0 | 109.3 | M136 L148 F182 I183 Q184 W287 | M136-F254 HydrophobicContact CE-CE2 3.7Å; M136-F254 HydrophobicContact CE-CZ 4.14Å; L148-F254 HydrophobicContact CD2-CB 4.08Å; L148-F254 HydrophobicContact CD2-CD1 3.72Å; L148-F254 HydrophobicContact CD2-CD2 3.75Å; L148-F254 HydrophobicContact CD2-CE1 4.05Å; L148-F254 HydrophobicContact CD2-CE2 4.08Å; L148-F254 HydrophobicContact CD2-CG 3.56Å; L148-F254 HydrophobicContact CD2-CZ 4.22Å; F182-F254 HydrophobicContact CB-CB 4.12Å; F182-F254 HydrophobicContact CB-CD1 3.93Å; F182-F254 HydrophobicContact CB-CG 4.41Å; F182-F254 HydrophobicContact CD1-CB 4.24Å; I183-F254 CarbonylContact O-C 3.57Å; I183-F254 WeakPolarHBondContact O-CA 3.23Å; Q184-F254 HydrophobicContact CB-CD1 4.1Å; Q184-F254 HydrophobicContact CB-CE1 3.76Å; Q184-F254 HydrophobicContact CB-CZ 4.2Å; Q184-F254 HydrophobicContact CG-CE1 4.4Å; Q184-F254 HydrophobicContact CG-CZ 4.39Å; F254-W287 HydrophobicContact CB-CB 4.42Å; F254-W287 HydrophobicContact CB-CD2 3.95Å; F254-W287 HydrophobicContact CB-CG 3.84Å; F254-W287 AromaticContact CD2-CD2 3.97Å; F254-W287 HydrophobicContact CD2-CD2 3.97Å; F254-W287 AromaticContact CD2-CE2 3.8Å; F254-W287 HydrophobicContact CD2-CE3 4.02Å; F254-W287 AromaticContact CD2-CH2 3.74Å; F254-W287 HydrophobicContact CD2-CH2 3.74Å; F254-W287 AromaticContact CD2-CZ2 3.7Å; F254-W287 HydrophobicContact CD2-CZ2 3.7Å; F254-W287 AromaticContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CE2-CH2 4.08Å; F254-W287 HydrophobicContact CE2-CZ2 4.39Å; F254-W287 HydrophobicContact CE2-CZ3 4.29Å; F254-W287 HydrophobicContact CG-CD2 4.39Å |
| 255 | V | 88.3 | Confident | 86.3 | Confident | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.7 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | F182 I183 M185 V187 V227 | F182-V255 CarbonylContact C-O 3.51Å; F182-V255 WeakPolarHBondContact CA-O 3.45Å; I183-V255 PolarHBondContact N-O 2.82Å; I183-V255 PolarHBondContact O-N 3.49Å; M185-V255 HydrophobicContact CB-CG2 4Å; M185-V255 HydrophobicContact CG-CB 4.24Å; M185-V255 HydrophobicContact CG-CG2 4.26Å; V187-V255 HydrophobicContact CG2-CG2 3.95Å; V227-V255 HydrophobicContact CG1-CG2 4Å; V227-V255 HydrophobicContact CG2-CG2 4.37Å |
| 256 | T | 87.3 | Confident | 86.2 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 134.9 | -175.1 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | N181 F182 H259 D288 N289 | N181-T256 CarbonylContact O-C 3.55Å; N181-T256 WeakPolarHBondContact O-CA 3.4Å; F182-T256 HydrophobicContact CD1-CG2 3.73Å; F182-T256 HydrophobicContact CE1-CG2 3.45Å; F182-T256 VanDerWaalsContact CE1-CG2 3.45Å; F182-T256 HydrophobicContact CZ-CG2 4.39Å; T256-H259 PolarHBondContact OG1-CE1 3.4Å; T256-D288 WeakPolarHBondContact CG2-O 3.44Å; T256-N289 HydrophobicContact CG2-CB 3.62Å |
| 257 | R | 85 | Confident | 86.3 | Confident | 147 Ų | 147 | 59.5 Ų | 59.5 | 56% | 0.555 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -78.8 | -42.3 | 172.5 | -70.8 | -179.9 | 168.5 | 161.3 | -2.5 | 112.7 | H180 N181 I183 | H180-R257 WeakPolarHBondContact O-CD 3.37Å; H180-R257 PolarHBondContact O-NH1 3.11Å; N181-R257 PolarHBondContact O-N 3.2Å; I183-R257 HydrophobicContact CD1-CG 3.51Å; I183-R257 HydrophobicContact CG1-CG 3.68Å |
| 258 | N | 83.7 | Confident | 86.3 | Confident | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -128 | 125.6 | -173.8 | -60.3 | -44.4 | 0 | 0 | 0 | 108.3 | N289 | N258-N289 WeakPolarHBondContact O-CB 3.24Å; N258-N289 PolarHBondContact O-ND2 2.89Å |
| 259 | H | 82.6 | Confident | 86.4 | Confident | 104 Ų | 104 | 63.7 Ų | 63.7 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | trans | -86.9 | 145.3 | 174.6 | -62.5 | -84.1 | 0 | 0 | 0 | 110.8 | T256 N289 Q291 | T256-H259 PolarHBondContact OG1-CE1 3.4Å; H259-N289 CarbonylContact C-O 3.48Å; H259-N289 VanDerWaalsContact CA-O 3.29Å; H259-N289 WeakPolarHBondContact CA-O 3.27Å; H259-Q291 HydrophobicContact CB-CB 4.19Å | ||
| 260 | S | 80.2 | Confident | 86.6 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -106 | 122.7 | 170.2 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | C145 N289 Q291 | C145-S260 WeakPolarHBondContact CB-OG 3.43Å; S260-N289 PolarHBondContact N-O 3.47Å; S260-N289 PolarHBondContact OG-O 2.74Å; S260-N289 PolarHBondContact OG-OD1 3Å; S260-Q291 PolarHBondContact O-N 2.82Å; S260-Q291 VanDerWaalsContact O-N 3.11Å |
| 261 | C | 82.3 | Confident | 86.7 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | trans | -80.7 | 133.3 | 168.8 | -46.8 | 0 | 0 | 0 | 0 | 108.6 | Q291 | C261-Q291 PolarHBondContact SG-OE1 3.44Å; C261-Q291 VanDerWaalsContact SG-OE1 3.38Å | ||
| 262 | L | 81.4 | Confident | 86.9 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -121.5 | 145.7 | -179 | -65 | -175.2 | 0 | 0 | 0 | 109.4 | C145 Q266 M267 A270 I290 | C145-L262 HydrophobicContact CB-CD1 4.32Å; L262-Q266 HydrophobicContact CB-CB 4.02Å; L262-Q266 HydrophobicContact CD2-CB 4.38Å; L262-M267 HydrophobicContact CB-CB 4.49Å; L262-A270 HydrophobicContact CD1-CB 3.94Å; L262-I290 HydrophobicContact CD1-CB 4.47Å; L262-I290 HydrophobicContact CD1-CD1 3.85Å; L262-I290 HydrophobicContact CD1-CG1 3.86Å; L262-I290 HydrophobicContact CD1-CG2 3.81Å; L262-I290 HydrophobicContact CG-CG2 4.23Å | ||
| 263 | D | 86.6 | Confident | 87.1 | Confident | 113 Ų | 113 | 63.4 Ų | 63.4 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | trans | -67.8 | 158.5 | 169.5 | -59 | -39.9 | 0 | 0 | 0 | 110.4 | E265 Q266 M267 | D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 PolarHBondContact O-N 3.2Å; D263-E265 VanDerWaalsContact O-N 3.17Å; D263-Q266 HydrophobicContact CB-CG 4.29Å; D263-Q266 CarbonylContact O-C 3.34Å; D263-Q266 WeakPolarHBondContact O-CA 3.48Å; D263-Q266 WeakPolarHBondContact O-CB 3.14Å; D263-Q266 PolarHBondContact O-N 3.16Å; D263-M267 PolarHBondContact O-N 3.21Å | ||
| 264 | Q | 86.9 | Confident | 87.2 | Confident | 115 Ų | 115 | 62.5 Ų | 62.5 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -49.2 | -46.3 | 179.8 | -176 | 63.6 | 30.2 | 0 | 0 | 113.7 | Q266 M267 E268 | Q264-Q266 VanDerWaalsContact C-N 3.3Å; Q264-Q266 PolarHBondContact O-N 2.9Å; Q264-M267 PolarHBondContact O-N 3.41Å; Q264-E268 PolarHBondContact NE2-OE1 3.45Å; Q264-E268 VanDerWaalsContact NE2-OE1 3.09Å; Q264-E268 WeakPolarHBondContact O-CG 3.38Å; Q264-E268 PolarHBondContact O-N 3Å |
| 265 | E | 88.3 | Confident | 87.3 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 178.1 | -172.7 | -172.3 | 162.4 | 0 | 0 | 111.7 | R171 D263 A269 | R171-E265 IonicContact NH1-OE1 3.9Å; D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 PolarHBondContact O-N 3.2Å; D263-E265 VanDerWaalsContact O-N 3.17Å; E265-A269 WeakPolarHBondContact O-CB 3.29Å; E265-A269 PolarHBondContact O-N 2.86Å; E265-A269 VanDerWaalsContact O-N 3.13Å |
| 266 | Q | 87.2 | Confident | 87.6 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.6 | -36.6 | 179 | -62.3 | 176.8 | -1.2 | 0 | 0 | 111.1 | L262 D263 Q264 A269 A270 | L262-Q266 HydrophobicContact CB-CB 4.02Å; L262-Q266 HydrophobicContact CD2-CB 4.38Å; D263-Q266 HydrophobicContact CB-CG 4.29Å; D263-Q266 CarbonylContact O-C 3.34Å; D263-Q266 WeakPolarHBondContact O-CA 3.48Å; D263-Q266 WeakPolarHBondContact O-CB 3.14Å; D263-Q266 PolarHBondContact O-N 3.16Å; Q264-Q266 VanDerWaalsContact C-N 3.3Å; Q264-Q266 PolarHBondContact O-N 2.9Å; Q266-A269 PolarHBondContact O-N 2.86Å; Q266-A270 VanDerWaalsContact O-CB 3.23Å; Q266-A270 WeakPolarHBondContact O-CB 3.2Å; Q266-A270 PolarHBondContact O-N 3.01Å |
| 267 | M | 88 | Confident | 87.9 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.4 | -169.5 | 177.8 | -67.8 | 0 | 0 | 111.4 | L262 D263 Q264 A269 A270 S271 D293 | L262-M267 HydrophobicContact CB-CB 4.49Å; D263-M267 PolarHBondContact O-N 3.21Å; Q264-M267 PolarHBondContact O-N 3.41Å; M267-A269 VanDerWaalsContact C-N 3.34Å; M267-A269 PolarHBondContact O-N 3.23Å; M267-A270 PolarHBondContact O-N 3.38Å; M267-S271 WeakPolarHBondContact O-CB 3.47Å; M267-S271 PolarHBondContact O-N 2.95Å; M267-D293 HydrophobicContact CE-CB 4.32Å; M267-D293 WeakPolarHBondContact CE-OD2 3.46Å |
| 268 | E | 88.1 | Confident | 88.2 | Confident | 120 Ų | 120 | 61 Ų | 61 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 174.4 | -72 | 174.7 | -164.1 | 0 | 0 | 111.8 | Q264 S272 | Q264-E268 PolarHBondContact NE2-OE1 3.45Å; Q264-E268 VanDerWaalsContact NE2-OE1 3.09Å; Q264-E268 WeakPolarHBondContact O-CG 3.38Å; Q264-E268 PolarHBondContact O-N 3Å; E268-S272 WeakPolarHBondContact O-CB 3.45Å; E268-S272 PolarHBondContact O-N 3.16Å |
| 269 | A | 89.5 | Confident | 88.6 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 26% | 0.256 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P142 E265 Q266 M267 L273 | P142-A269 HydrophobicContact CB-CB 4.05Å; P142-A269 HydrophobicContact CG-CB 3.91Å; E265-A269 WeakPolarHBondContact O-CB 3.29Å; E265-A269 PolarHBondContact O-N 2.86Å; E265-A269 VanDerWaalsContact O-N 3.13Å; Q266-A269 PolarHBondContact O-N 2.86Å; M267-A269 VanDerWaalsContact C-N 3.34Å; M267-A269 PolarHBondContact O-N 3.23Å; A269-L273 PolarHBondContact O-N 2.97Å; A269-L273 VanDerWaalsContact O-N 3.07Å |
| 270 | A | 89.2 | Confident | 89.2 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.2 | -44.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P142 L262 Q266 M267 S272 L273 I274 I290 | P142-A270 HydrophobicContact CG-CB 4.48Å; L262-A270 HydrophobicContact CD1-CB 3.94Å; Q266-A270 VanDerWaalsContact O-CB 3.23Å; Q266-A270 WeakPolarHBondContact O-CB 3.2Å; Q266-A270 PolarHBondContact O-N 3.01Å; M267-A270 PolarHBondContact O-N 3.38Å; A270-S272 VanDerWaalsContact C-N 3.31Å; A270-S272 PolarHBondContact O-N 3.42Å; A270-L273 WeakPolarHBondContact O-CA 3.45Å; A270-L273 WeakPolarHBondContact O-CB 3.24Å; A270-L273 PolarHBondContact O-N 3.16Å; A270-I274 WeakPolarHBondContact O-CG1 3.19Å; A270-I274 PolarHBondContact O-N 3.36Å; A270-I290 HydrophobicContact CB-CD1 3.63Å |
| 271 | S | 89.9 | Confident | 89.7 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 42% | 0.42 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.9 | -47.9 | 173.1 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | M267 L273 I274 E275 | M267-S271 WeakPolarHBondContact O-CB 3.47Å; M267-S271 PolarHBondContact O-N 2.95Å; S271-L273 PolarHBondContact O-N 2.96Å; S271-I274 PolarHBondContact O-N 3.33Å; S271-I274 VanDerWaalsContact O-N 3.11Å; S271-E275 WeakPolarHBondContact O-CG 2.97Å; S271-E275 PolarHBondContact O-N 3.4Å |
| 272 | S | 91.9 | Very high | 90.3 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.9 | -20.6 | 177.4 | -162.2 | 0 | 0 | 0 | 0 | 114.5 | K170 E268 A270 A276 | K170-S272 PolarHBondContact NZ-O 3.46Å; K170-S272 PolarHBondContact NZ-OG 2.97Å; E268-S272 WeakPolarHBondContact O-CB 3.45Å; E268-S272 PolarHBondContact O-N 3.16Å; A270-S272 VanDerWaalsContact C-N 3.31Å; A270-S272 PolarHBondContact O-N 3.42Å; S272-A276 WeakPolarHBondContact O-CB 3.39Å |
| 273 | L | 92.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.1 | -46.9 | 170.3 | 167.2 | 61.6 | 0 | 0 | 0 | 110.6 | L147 L166 L167 K170 A269 A270 S271 A276 L277 | L147-L273 HydrophobicContact CD1-CD2 3.66Å; L147-L273 HydrophobicContact CD1-CG 4.3Å; L166-L273 HydrophobicContact CD2-CD1 3.5Å; L167-L273 HydrophobicContact CD2-CD1 3.92Å; L167-L273 HydrophobicContact CD2-CD2 4.04Å; K170-L273 HydrophobicContact CB-CB 4.02Å; K170-L273 HydrophobicContact CB-CD1 3.64Å; K170-L273 HydrophobicContact CB-CG 4.32Å; K170-L273 HydrophobicContact CG-CD1 4.23Å; A269-L273 PolarHBondContact O-N 2.97Å; A269-L273 VanDerWaalsContact O-N 3.07Å; A270-L273 WeakPolarHBondContact O-CA 3.45Å; A270-L273 WeakPolarHBondContact O-CB 3.24Å; A270-L273 PolarHBondContact O-N 3.16Å; S271-L273 PolarHBondContact O-N 2.96Å; L273-A276 PolarHBondContact O-N 3.45Å; L273-L277 HydrophobicContact CD1-CD1 3.93Å; L273-L277 HydrophobicContact CD1-CG 4.01Å; L273-L277 HydrophobicContact CG-CD1 4.06Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.47Å |
| 274 | I | 92.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | -178.7 | -67.8 | 165.8 | 0 | 0 | 0 | 110.7 | L147 A270 S271 A276 L277 T278 D288 I290 | L147-I274 HydrophobicContact CD2-CD1 4.4Å; L147-I274 HydrophobicContact CD2-CG1 4.24Å; A270-I274 WeakPolarHBondContact O-CG1 3.19Å; A270-I274 PolarHBondContact O-N 3.36Å; S271-I274 PolarHBondContact O-N 3.33Å; S271-I274 VanDerWaalsContact O-N 3.11Å; I274-A276 VanDerWaalsContact C-N 3.34Å; I274-A276 PolarHBondContact O-N 2.88Å; I274-L277 PolarHBondContact O-N 2.88Å; I274-T278 WeakPolarHBondContact O-CB 3.35Å; I274-T278 PolarHBondContact O-N 3.21Å; I274-T278 PolarHBondContact O-OG1 2.81Å; I274-D288 HydrophobicContact CD1-CB 4.04Å; I274-I290 HydrophobicContact CD1-CD1 3.92Å |
| 275 | E | 91.9 | Very high | 91.5 | Very high | 114 Ų | 114 | 48.6 Ų | 48.6 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 173.3 | -72.4 | 179 | 165.9 | 0 | 0 | 111.4 | S271 L277 T278 D279 | S271-E275 WeakPolarHBondContact O-CG 2.97Å; S271-E275 PolarHBondContact O-N 3.4Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.08Å; E275-T278 PolarHBondContact O-N 3.04Å; E275-D279 PolarHBondContact O-N 2.97Å |
| 276 | A | 94.1 | Very high | 91.8 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -35.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L166 S272 L273 I274 D279 | L166-A276 HydrophobicContact CD1-CB 4.03Å; L166-A276 VanDerWaalsContact CD1-O 3.3Å; L166-A276 WeakPolarHBondContact CD1-O 3.24Å; L166-A276 HydrophobicContact CD2-CB 3.94Å; L166-A276 HydrophobicContact CG-CB 4.3Å; S272-A276 WeakPolarHBondContact O-CB 3.39Å; L273-A276 PolarHBondContact O-N 3.45Å; I274-A276 VanDerWaalsContact C-N 3.34Å; I274-A276 PolarHBondContact O-N 2.88Å; A276-D279 PolarHBondContact O-N 3.02Å |
| 277 | L | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 172.2 | -74.7 | 171 | 0 | 0 | 0 | 111.4 | L147 I149 I163 L166 L167 L273 I274 E275 D279 L280 V283 V286 | L147-L277 HydrophobicContact CD1-CD1 4.14Å; I149-L277 HydrophobicContact CD1-CD1 3.8Å; I149-L277 HydrophobicContact CD1-CD2 3.96Å; I149-L277 HydrophobicContact CG1-CD1 4.3Å; I163-L277 HydrophobicContact CG2-CD2 4.32Å; L166-L277 HydrophobicContact CD2-CD2 3.79Å; L166-L277 HydrophobicContact CD2-CG 3.85Å; L167-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CD1-CD1 3.93Å; L273-L277 HydrophobicContact CD1-CG 4.01Å; L273-L277 HydrophobicContact CG-CD1 4.06Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.47Å; I274-L277 PolarHBondContact O-N 2.88Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.08Å; L277-D279 PolarHBondContact O-N 3.16Å; L277-L280 HydrophobicContact CD2-CD1 4.31Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 3.09Å; L277-L280 VanDerWaalsContact O-N 3.1Å; L277-V283 WeakPolarHBondContact O-CB 3.5Å; L277-V283 WeakPolarHBondContact O-CG2 3.48Å; L277-V286 HydrophobicContact CB-CG2 4.09Å |
| 278 | T | 91.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 42 Ų | 42 | 34% | 0.344 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -29.3 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | K80 I274 E275 L280 | K80-T278 WeakPolarHBondContact CE-O 3.38Å; K80-T278 PolarHBondContact NZ-O 3.12Å; I274-T278 WeakPolarHBondContact O-CB 3.35Å; I274-T278 PolarHBondContact O-N 3.21Å; I274-T278 PolarHBondContact O-OG1 2.81Å; E275-T278 PolarHBondContact O-N 3.04Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.18Å |
| 279 | D | 92.4 | Very high | 92.2 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 47% | 0.465 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13 | 176.1 | -80.4 | -5.8 | 0 | 0 | 0 | 114.3 | K76 E275 A276 L277 | K76-D279 WeakPolarHBondContact CD-OD1 3.44Å; K76-D279 WeakPolarHBondContact CE-OD1 3.36Å; K76-D279 IonicContact NZ-OD1 2.92Å; K76-D279 PolarHBondContact NZ-OD1 2.82Å; K76-D279 IonicContact NZ-OD2 3.1Å; K76-D279 PolarHBondContact NZ-OD2 3.25Å; E275-D279 PolarHBondContact O-N 2.97Å; A276-D279 PolarHBondContact O-N 3.02Å; L277-D279 PolarHBondContact O-N 3.16Å |
| 280 | L | 93.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -67.7 | 138.9 | 175.7 | -66.5 | -179.5 | 0 | 0 | 0 | 111.2 | K80 E162 I163 L166 L277 T278 D282 V283 | K80-L280 PolarHBondContact NZ-O 3.45Å; E162-L280 HydrophobicContact CG-CD1 4.33Å; E162-L280 HydrophobicContact CG-CD2 3.82Å; E162-L280 WeakPolarHBondContact OE1-CD2 3.37Å; I163-L280 HydrophobicContact CG1-CD1 3.86Å; L166-L280 HydrophobicContact CD1-CD1 3.94Å; L166-L280 HydrophobicContact CD1-CD2 3.94Å; L166-L280 HydrophobicContact CD1-CG 3.92Å; L277-L280 HydrophobicContact CD2-CD1 4.31Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 3.09Å; L277-L280 VanDerWaalsContact O-N 3.1Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.18Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.15Å; L280-V283 HydrophobicContact CB-CB 4.22Å; L280-V283 HydrophobicContact CB-CG2 3.71Å; L280-V283 HydrophobicContact CD1-CG2 4.07Å; L280-V283 HydrophobicContact CG-CG2 4.46Å; L280-V283 PolarHBondContact O-N 3.27Å |
| 281 | P | 91.6 | Very high | 91.5 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -30.7 | -175.6 | 27.7 | -35.1 | 0 | 0 | 0 | 112.8 | ||
| 282 | D | 94.2 | Very high | 90.2 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12 | -176.8 | -66.8 | -21.4 | 0 | 0 | 0 | 112.9 | T151 L152 T153 R158 T159 L280 | T151-D282 CarbonylContact C-O 3.55Å; T151-D282 WeakPolarHBondContact CA-O 3.45Å; T151-D282 VanDerWaalsContact CB-O 3.27Å; T151-D282 WeakPolarHBondContact CB-O 3.5Å; L152-D282 PolarHBondContact N-O 3.41Å; T153-D282 PolarHBondContact OG1-OD2 2.97Å; R158-D282 IonicContact CZ-OD2 2.89Å; R158-D282 IonicContact NE-OD2 2.7Å; R158-D282 IonicContact NH2-OD1 3.49Å; R158-D282 PolarHBondContact NH2-OD1 3.28Å; R158-D282 VanDerWaalsContact NH2-OD1 3.1Å; R158-D282 IonicContact NH2-OD2 3.23Å; R158-D282 PolarHBondContact NH2-OD2 2.93Å; T159-D282 HydrophobicContact CG2-CB 3.59Å; T159-D282 PolarHBondContact OG1-OD2 3.01Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.15Å |
| 283 | V | 95.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.2 | -178.6 | 173.4 | 0 | 0 | 0 | 0 | 109.8 | K80 M83 I149 T151 I163 L277 L280 V286 | K80-V283 PolarHBondContact NZ-O 3.2Å; M83-V283 WeakPolarHBondContact CE-O 3.48Å; I149-V283 HydrophobicContact CG2-CG1 3.98Å; I149-V283 HydrophobicContact CG2-CG2 3.87Å; T151-V283 HydrophobicContact CG2-CG2 4.04Å; I163-V283 HydrophobicContact CD1-CG2 4.5Å; L277-V283 WeakPolarHBondContact O-CB 3.5Å; L277-V283 WeakPolarHBondContact O-CG2 3.48Å; L280-V283 HydrophobicContact CB-CB 4.22Å; L280-V283 HydrophobicContact CB-CG2 3.71Å; L280-V283 HydrophobicContact CD1-CG2 4.07Å; L280-V283 HydrophobicContact CG-CG2 4.46Å; L280-V283 PolarHBondContact O-N 3.27Å; V283-V286 HydrophobicContact CG1-CG2 3.68Å |
| 284 | V | 93.9 | Very high | 86 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -56.2 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | M83 M84 I87 E150 L152 | M83-V284 HydrophobicContact CB-CG1 4.49Å; M83-V284 HydrophobicContact CB-CG2 4.12Å; M83-V284 HydrophobicContact SD-CG2 4.2Å; M84-V284 HydrophobicContact CG-CG1 3.62Å; I87-V284 HydrophobicContact CD1-CG1 4.21Å; I87-V284 HydrophobicContact CD1-CG2 4.09Å; E150-V284 HydrophobicContact CG-CB 4.14Å; E150-V284 PolarHBondContact O-N 3.31Å; L152-V284 HydrophobicContact CB-CG2 3.65Å |
| 285 | R | 92.3 | Very high | 85.7 | Confident | 83 Ų | 83 | 55 Ų | 55 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.8 | -179.5 | -74.1 | -179.6 | -69 | -179.8 | 1.7 | 110.1 | E150 L252 W287 | E150-R285 HydrophobicContact CB-CB 4.45Å; E150-R285 PolarHBondContact N-O 2.81Å; E150-R285 PolarHBondContact O-N 3.11Å; E150-R285 IonicContact OE1-NH2 3.69Å; E150-R285 PolarHBondContact OE1-NH2 3.11Å; E150-R285 IonicContact OE2-CZ 2.72Å; E150-R285 VanDerWaalsContact OE2-CZ 3.23Å; E150-R285 IonicContact OE2-NE 3.52Å; E150-R285 PolarHBondContact OE2-NE 2.91Å; E150-R285 IonicContact OE2-NH2 3.1Å; E150-R285 PolarHBondContact OE2-NH2 2.86Å; L252-R285 PolarHBondContact O-NH1 3.39Å; R285-W287 HydrophobicContact CB-CH2 3.77Å; R285-W287 HydrophobicContact CB-CZ2 3.73Å; R285-W287 HydrophobicContact CB-CZ3 4.23Å; R285-W287 HydrophobicContact CG-CZ2 4.39Å |
| 286 | V | 92.9 | Very high | 85.3 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.8 | 171.4 | -176.5 | 0 | 0 | 0 | 0 | 106.4 | L148 I149 L277 V283 | L148-V286 CarbonylContact O-C 3.59Å; L148-V286 WeakPolarHBondContact O-CA 3.24Å; I149-V286 HydrophobicContact CG1-CG1 4.37Å; I149-V286 HydrophobicContact CG2-CG2 4.42Å; L277-V286 HydrophobicContact CB-CG2 4.09Å; V283-V286 HydrophobicContact CG1-CG2 3.68Å |
| 287 | W | 92.7 | Very high | 84.8 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 10% | 0.095 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.9 | 168.3 | -54.4 | -93.7 | 0 | 0 | 0 | 108.6 | M136 L147 L148 E150 F182 F254 R285 | M136-W287 HydrophobicContact CE-CH2 4.17Å; M136-W287 HydrophobicContact CE-CZ3 3.8Å; M136-W287 HydrophobicContact SD-CZ3 3.83Å; L147-W287 CarbonylContact C-O 3.55Å; L147-W287 WeakPolarHBondContact CA-O 3.1Å; L148-W287 HydrophobicContact CB-CB 4.29Å; L148-W287 HydrophobicContact CB-CE3 4.02Å; L148-W287 HydrophobicContact CD2-CE3 3.88Å; L148-W287 HydrophobicContact CD2-CZ3 4.29Å; L148-W287 HydrophobicContact CG-CE3 3.92Å; L148-W287 HydrophobicContact CG-CZ3 4.33Å; L148-W287 PolarHBondContact N-O 2.83Å; L148-W287 PolarHBondContact O-N 2.93Å; E150-W287 HydrophobicContact CB-CH2 3.53Å; E150-W287 HydrophobicContact CB-CZ3 3.45Å; E150-W287 VanDerWaalsContact CB-CZ3 3.45Å; E150-W287 HydrophobicContact CG-CH2 4.28Å; E150-W287 VanDerWaalsContact OE2-CH2 3.28Å; E150-W287 WeakPolarHBondContact OE2-CH2 3.41Å; F182-W287 HydrophobicContact CD1-CB 4.16Å; F182-W287 HydrophobicContact CE1-CB 3.78Å; F182-W287 HydrophobicContact CZ-CB 4.48Å; F254-W287 HydrophobicContact CB-CB 4.42Å; F254-W287 HydrophobicContact CB-CD2 3.95Å; F254-W287 HydrophobicContact CB-CG 3.84Å; F254-W287 AromaticContact CD2-CD2 3.97Å; F254-W287 HydrophobicContact CD2-CD2 3.97Å; F254-W287 AromaticContact CD2-CE2 3.8Å; F254-W287 HydrophobicContact CD2-CE3 4.02Å; F254-W287 AromaticContact CD2-CH2 3.74Å; F254-W287 HydrophobicContact CD2-CH2 3.74Å; F254-W287 AromaticContact CD2-CZ2 3.7Å; F254-W287 HydrophobicContact CD2-CZ2 3.7Å; F254-W287 AromaticContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CD2-CZ3 3.9Å; F254-W287 HydrophobicContact CE2-CH2 4.08Å; F254-W287 HydrophobicContact CE2-CZ2 4.39Å; F254-W287 HydrophobicContact CE2-CZ3 4.29Å; F254-W287 HydrophobicContact CG-CD2 4.39Å; R285-W287 HydrophobicContact CB-CH2 3.77Å; R285-W287 HydrophobicContact CB-CZ2 3.73Å; R285-W287 HydrophobicContact CB-CZ3 4.23Å; R285-W287 HydrophobicContact CG-CZ2 4.39Å |
| 288 | D | 91.3 | Very high | 84.3 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 165.4 | 176.7 | 68.5 | 93 | 0 | 0 | 0 | 109.3 | A146 L147 T256 I274 I290 | A146-D288 WeakPolarHBondContact O-CA 3.2Å; L147-D288 HydrophobicContact CD2-CB 3.44Å; L147-D288 VanDerWaalsContact CD2-CB 3.44Å; T256-D288 WeakPolarHBondContact CG2-O 3.44Å; I274-D288 HydrophobicContact CD1-CB 4.04Å; D288-I290 HydrophobicContact CB-CD1 4.36Å; D288-I290 HydrophobicContact CB-CG1 4.28Å; D288-I290 VanDerWaalsContact OD1-CB 3.25Å; D288-I290 WeakPolarHBondContact OD1-CB 3.49Å; D288-I290 WeakPolarHBondContact OD1-CG1 3.39Å; D288-I290 PolarHBondContact OD1-N 2.75Å |
| 289 | N | 89 | Confident | 83.8 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | trans | -111.9 | 23.2 | 176.9 | 80 | -42.8 | 0 | 0 | 0 | 112.8 | A146 F182 T256 N258 H259 S260 | A146-N289 PolarHBondContact N-OD1 3.09Å; A146-N289 PolarHBondContact O-N 3.22Å; A146-N289 PolarHBondContact O-OD1 3Å; F182-N289 HydrophobicContact CZ-CB 4.35Å; T256-N289 HydrophobicContact CG2-CB 3.62Å; N258-N289 WeakPolarHBondContact O-CB 3.24Å; N258-N289 PolarHBondContact O-ND2 2.89Å; H259-N289 CarbonylContact C-O 3.48Å; H259-N289 VanDerWaalsContact CA-O 3.29Å; H259-N289 WeakPolarHBondContact CA-O 3.27Å; S260-N289 PolarHBondContact N-O 3.47Å; S260-N289 PolarHBondContact OG-O 2.74Å; S260-N289 PolarHBondContact OG-OD1 3Å | ||
| 290 | I | 86.6 | Confident | 83.3 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 134.1 | -177.4 | -56.4 | 170.1 | 0 | 0 | 0 | 108.1 | C145 L262 A270 I274 D288 | C145-I290 HydrophobicContact CB-CD1 4.24Å; C145-I290 HydrophobicContact CB-CG1 3.72Å; L262-I290 HydrophobicContact CD1-CB 4.47Å; L262-I290 HydrophobicContact CD1-CD1 3.85Å; L262-I290 HydrophobicContact CD1-CG1 3.86Å; L262-I290 HydrophobicContact CD1-CG2 3.81Å; L262-I290 HydrophobicContact CG-CG2 4.23Å; A270-I290 HydrophobicContact CB-CD1 3.63Å; I274-I290 HydrophobicContact CD1-CD1 3.92Å; D288-I290 HydrophobicContact CB-CD1 4.36Å; D288-I290 HydrophobicContact CB-CG1 4.28Å; D288-I290 VanDerWaalsContact OD1-CB 3.25Å; D288-I290 WeakPolarHBondContact OD1-CB 3.49Å; D288-I290 WeakPolarHBondContact OD1-CG1 3.39Å; D288-I290 PolarHBondContact OD1-N 2.75Å |
| 291 | Q | 76.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 126.1 | 170.2 | -168 | 166.5 | 1.4 | 0 | 0 | 108.7 | H259 S260 C261 D293 | H259-Q291 HydrophobicContact CB-CB 4.19Å; S260-Q291 PolarHBondContact O-N 2.82Å; S260-Q291 VanDerWaalsContact O-N 3.11Å; C261-Q291 PolarHBondContact SG-OE1 3.44Å; C261-Q291 VanDerWaalsContact SG-OE1 3.38Å; Q291-D293 PolarHBondContact O-N 2.84Å |
| 292 | A | 62.9 | Low | 81.8 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 127.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S294 | A292-S294 PolarHBondContact O-N 2.75Š|
| 293 | D | 54.1 | Low | 80.8 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 117.3 | 169.7 | -73.8 | -23.2 | 0 | 0 | 0 | 107.5 | M267 Q291 | M267-D293 HydrophobicContact CE-CB 4.32Å; M267-D293 WeakPolarHBondContact CE-OD2 3.46Å; Q291-D293 PolarHBondContact O-N 2.84Å |
| 294 | S | 41 | Very low | 79.4 | Confident | 190 Ų | 190 | 63.6 Ų | 63.6 | 100% | 1.329 | 37% | 0.371 | S | S | * | . | trans | -82.2 | 0 | 175.6 | 31.2 | 0 | 0 | 0 | 0 | 113.4 | A292 | A292-S294 PolarHBondContact O-N 2.75Š|
Retrieved 294 of 294 residues in 461.1 ms
(Link to these results)