| 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 | 32.7 | Very low | 32.2 | Very low | 242 Ų | 242 | 153.4 Ų | 153.4 | 100% | 1.192 | 86% | 0.857 | S | S | * | * | 0 | 132.7 | 0 | -80 | 172.6 | 163.5 | 0 | 0 | 106.9 | |||||
| 2 | Q | 30.8 | Very low | 32.3 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | trans | -139.1 | 129.2 | 170.8 | -85.7 | -177.2 | -17 | 0 | 0 | 108.1 | ||||
| 3 | T | 29.2 | Very low | 32.2 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 92% | 0.92 | 83% | 0.83 | S | S | * | * | trans | -91.3 | 129.6 | 179 | 31.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | L | 33.8 | Very low | 32 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -122.5 | 126.6 | 175.7 | -90.6 | 156.5 | 0 | 0 | 0 | 109.8 | ||||
| 5 | K | 30.7 | Very low | 32.1 | Very low | 213 Ų | 213 | 146.4 Ų | 146.4 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -74.1 | 131.9 | 178 | -80.5 | 179.3 | 173.5 | 179.1 | 0 | 111.2 | A7 | K5-A7 PolarHBondContact O-N 3.42Š| ||
| 6 | V | 37.3 | Very low | 32 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -91.1 | 92.6 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | A | 31.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -148.3 | 64.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | K5 | K5-A7 PolarHBondContact O-N 3.42Š| ||
| 8 | Q | 33.3 | Very low | 31.7 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -161.8 | 5.3 | 170.7 | -114.8 | 169.9 | 19.2 | 0 | 0 | 116.6 | ||
| 9 | V | 33.4 | Very low | 31.6 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -96.6 | -15.6 | -175 | -176.9 | 0 | 0 | 0 | 0 | 113.7 | S11 | V9-S11 PolarHBondContact O-N 3.33Š|
| 10 | A | 30.6 | Very low | 31.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -5.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 11 | S | 31 | Very low | 31.2 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 66% | 0.664 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -12.5 | -175.5 | -166.7 | 0 | 0 | 0 | 0 | 114.4 | V9 | V9-S11 PolarHBondContact O-N 3.33Š|
| 12 | A | 32.8 | Very low | 31.1 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -93 | -16.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 13 | A | 30.6 | Very low | 30.9 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 65% | 0.653 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -88.5 | -10.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 14 | L | 30.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -101.2 | 3.6 | -175.7 | -101.3 | 136.1 | 0 | 0 | 0 | 114.6 | ||
| 15 | K | 32.4 | Very low | 30.3 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -109.5 | 7 | -179.1 | -78 | -175.5 | 176.9 | 179.6 | 0 | 115.2 | ||
| 16 | S | 31.6 | Very low | 30.1 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -109.5 | 13.8 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 17 | L | 32.4 | Very low | 29.6 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -127.6 | 84.9 | 173.7 | -79.6 | 157.8 | 0 | 0 | 0 | 109.1 | ||||
| 18 | G | 26.1 | Very low | 29.3 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -165 | 124 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | S | 30 | Very low | 28.9 | Very low | 132 Ų | 132 | 140 Ų | 140 | 92% | 0.923 | 80% | 0.795 | S | S | * | * | trans | 76 | 124.6 | -175.2 | 82.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 20 | G | 26.3 | Very low | 28.6 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | cis | 138.8 | 101.8 | 11.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 21 | R | 27.6 | Very low | 28.3 | Very low | 251 Ų | 251 | 138.8 Ų | 138.8 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | trans | -146.2 | 123 | 161.1 | -84.4 | -165.9 | -176.7 | -177.4 | 0 | 110.6 | ||||
| 22 | L | 29.9 | Very low | 28 | Very low | 167 Ų | 167 | 142 Ų | 142 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -51.1 | 134.1 | 160.8 | -71.4 | 119.6 | 0 | 0 | 0 | 110.4 | ||||
| 23 | F | 26.9 | Very low | 27.6 | Very low | 210 Ų | 210 | 141.9 Ų | 141.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -158.5 | 127.3 | 134.2 | -110 | -78.9 | 0 | 0 | 0 | 109.9 | ||||
| 24 | R | 26.4 | Very low | 27.6 | Very low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -50.1 | 122.6 | 171.4 | -81.6 | 173.1 | 168.7 | 174.9 | -5.4 | 110.8 | ||||
| 25 | S | 25.3 | Very low | 27.4 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | 59.3 | 108.2 | 96.3 | 81 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 26 | E | 26.6 | Very low | 27.1 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -159.1 | 122.9 | 137.8 | -109.8 | 172.1 | -160.2 | 0 | 0 | 110.1 | ||||
| 27 | L | 25.5 | Very low | 26.8 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | 62.6 | 105 | 142.8 | -64 | 155.5 | 0 | 0 | 0 | 118.9 | ||||
| 28 | L | 25.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | -174.4 | 115 | 101.1 | -96.1 | 153.9 | 0 | 0 | 0 | 110.8 | |||||
| 29 | T | 25.1 | Very low | 26.6 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -73.8 | 132.1 | 163.8 | 38.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 30 | A | 26.2 | Very low | 26.7 | Very low | 88 Ų | 88 | 150.5 Ų | 150.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 175.3 | 91.8 | 139.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 31 | S | 24.6 | Very low | 26.8 | Very low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | 60.8 | 115.5 | 90.5 | 71.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 32 | L | 25.8 | Very low | 26.9 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | 162.9 | 90 | 136.1 | -84 | 160.3 | 0 | 0 | 0 | 106.7 | ||||
| 33 | S | 25 | Very low | 26.8 | Very low | 85 Ų | 85 | 155.3 Ų | 155.3 | 59% | 0.594 | 81% | 0.81 | S | S | * | * | 61.9 | 101.7 | 95.9 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 34 | H | 29 | Very low | 26.9 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | -169.8 | 132.1 | 108.6 | -106.7 | -75.5 | 0 | 0 | 0 | 112 | |||||
| 35 | H | 26.4 | Very low | 27.1 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | -59.9 | 142.7 | 168.3 | -83.6 | -75.7 | 0 | 0 | 0 | 112.8 | ||||
| 36 | F | 27 | Very low | 27.5 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | -169.2 | 96 | 121.5 | -106.5 | -79.6 | 0 | 0 | 0 | 106.7 | |||||
| 37 | S | 24.6 | Very low | 27.9 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | 44.1 | 92.5 | 93 | -159.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 38 | A | 27.9 | Very low | 28.5 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 66% | 0.661 | 82% | 0.815 | S | S | * | * | 92.3 | 113.1 | 86.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 39 | T | 27.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | trans | -166.8 | 125.8 | 131.7 | 15.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 40 | Q | 30.7 | Very low | 29.8 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -57.4 | 136.2 | 163.1 | -71.8 | 167.9 | -27.1 | 0 | 0 | 109.8 | ||||
| 41 | T | 28.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 153 Ų | 153 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -153.6 | 148.1 | 133.7 | 7.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 42 | R | 29.7 | Very low | 31.4 | Very low | 241 Ų | 241 | 155.7 Ų | 155.7 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -65.1 | 152 | -164.9 | -72.6 | 163.9 | 167.8 | 171.5 | -4.5 | 113.6 | C44 | R42-C44 PolarHBondContact O-N 3.1Š| ||
| 43 | F | 28.1 | Very low | 32.2 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -37.4 | 126 | 156.7 | -88.8 | -98 | 0 | 0 | 0 | 112.6 | ||||
| 44 | C | 29.1 | Very low | 33.2 | Very low | 126 Ų | 126 | 156.2 Ų | 156.2 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -123.9 | 122 | 148.8 | -128.7 | 0 | 0 | 0 | 0 | 107.7 | R42 | R42-C44 PolarHBondContact O-N 3.1Š| ||
| 45 | K | 31.9 | Very low | 34 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -68.1 | 135.1 | 177.4 | -70.5 | 174.2 | 173.3 | -179.1 | 0 | 109.7 | ||||
| 46 | T | 32.4 | Very low | 35.1 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -135.9 | 107.7 | 152.2 | 46.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 47 | E | 35.8 | Very low | 36.1 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 137.7 | 166.2 | -70.4 | 179.9 | 164.1 | 0 | 0 | 109.4 | ||||
| 48 | P | 37.4 | Very low | 37.7 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -99.9 | 132.3 | 157.6 | 8.4 | 11.5 | 0 | 0 | 0 | 111.3 | ||||
| 49 | N | 35.2 | Very low | 39.7 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -22.5 | 144 | 173.5 | -129.3 | 0.6 | 0 | 0 | 0 | 119.1 | E51 | N49-E51 PolarHBondContact O-N 2.92Š| ||
| 50 | P | 42.9 | Very low | 41.2 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -96.7 | 60 | -175.3 | 39.8 | -32.3 | 0 | 0 | 0 | 112.7 | ||
| 51 | E | 44.2 | Very low | 42.7 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 70.7 | 169 | -73.4 | -160.5 | 167.7 | 0 | 0 | 111.2 | N49 | N49-E51 PolarHBondContact O-N 2.92Š| ||
| 52 | D | 41 | Very low | 44.2 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | -159.4 | 74.5 | 153.6 | -103.8 | -23.2 | 0 | 0 | 0 | 108.7 | V54 | D52-V54 PolarHBondContact O-N 3.31Å; D52-V54 VanDerWaalsContact O-N 3.1Å | ||
| 53 | T | 41.2 | Very low | 45.7 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -72.7 | 105 | 168.4 | 48.2 | 0 | 0 | 0 | 0 | 108.6 | V55 | T53-V55 WeakPolarHBondContact O-CG2 3.48Å; T53-V55 PolarHBondContact O-N 3.13Å | ||
| 54 | V | 46.5 | Very low | 47.4 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -57.4 | 103.5 | 167.5 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | D52 I56 | D52-V54 PolarHBondContact O-N 3.31Å; D52-V54 VanDerWaalsContact O-N 3.1Å; V54-I56 HydrophobicContact CG1-CG1 4.09Å; V54-I56 PolarHBondContact O-N 3.42Å; V54-I56 VanDerWaalsContact O-N 3.13Å | ||
| 55 | V | 46 | Very low | 48.7 | Very low | 111 Ų | 111 | 141 Ų | 141 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | trans | -79.8 | 94.5 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | T53 R57 | T53-V55 WeakPolarHBondContact O-CG2 3.48Å; T53-V55 PolarHBondContact O-N 3.13Å; V55-R57 PolarHBondContact O-N 3.25Å | ||
| 56 | I | 49.6 | Very low | 50.2 | Low | 140 Ų | 140 | 135.9 Ų | 135.9 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | trans | -75.9 | 109.5 | 171.5 | -56.9 | 177.3 | 0 | 0 | 0 | 108.6 | V54 V58 | V54-I56 HydrophobicContact CG1-CG1 4.09Å; V54-I56 PolarHBondContact O-N 3.42Å; V54-I56 VanDerWaalsContact O-N 3.13Å; I56-V58 PolarHBondContact O-N 3.41Å | ||
| 57 | R | 47.5 | Very low | 51.6 | Low | 224 Ų | 224 | 135.3 Ų | 135.3 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | trans | -78.1 | 109 | 174.5 | -64.3 | -174.8 | -171.3 | -169.3 | 3.6 | 109.5 | V55 P59 | V55-R57 PolarHBondContact O-N 3.25Å; R57-P59 WeakPolarHBondContact O-CD 3.43Å | ||
| 58 | V | 59.8 | Low | 52.7 | Low | 76 Ų | 76 | 131.1 Ų | 131.1 | 46% | 0.461 | 66% | 0.66 | S | S | . | * | trans | -84.9 | 122.8 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | I56 L62 L63 | I56-V58 PolarHBondContact O-N 3.41Å; V58-L62 HydrophobicContact CG1-CB 3.75Å; V58-L62 HydrophobicContact CG1-CD1 4.33Å; V58-L63 HydrophobicContact CG1-CD2 4.44Å; V58-L63 HydrophobicContact CG1-CG 4.17Å | ||
| 59 | P | 68.3 | Low | 53.6 | Low | 63 Ų | 63 | 129 Ų | 129 | 41% | 0.409 | 65% | 0.645 | S | S | . | * | trans | -54 | 137.8 | 174.1 | -28 | 34.1 | 0 | 0 | 0 | 113 | R57 Y61 L62 L63 | R57-P59 WeakPolarHBondContact O-CD 3.43Å; P59-Y61 HydrophobicContact CB-CD1 3.51Å; P59-Y61 HydrophobicContact CB-CE1 3.33Å; P59-Y61 HydrophobicContact CG-CE1 4Å; P59-Y61 PolarHBondContact O-N 3.46Å; P59-L62 HydrophobicContact CG-CD1 4.44Å; P59-L62 WeakPolarHBondContact O-CB 3.48Å; P59-L62 PolarHBondContact O-N 3.36Å; P59-L63 PolarHBondContact O-N 3.04Å | ||
| 60 | R | 58.9 | Low | 54.4 | Low | 225 Ų | 225 | 128.7 Ų | 128.7 | 85% | 0.849 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -54.1 | -30.6 | -175.9 | -79.4 | -177.3 | 177.1 | 169.2 | -0.7 | 114.3 | L62 L63 K64 | R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 2.94Å; R60-L63 PolarHBondContact O-N 3.31Å; R60-K64 PolarHBondContact O-N 2.91Å |
| 61 | Y | 63.4 | Low | 54.8 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.5 | -31.2 | 178.8 | 79.1 | -90.3 | 0 | 0 | 0 | 112.6 | P59 R65 | P59-Y61 HydrophobicContact CB-CD1 3.51Å; P59-Y61 HydrophobicContact CB-CE1 3.33Å; P59-Y61 HydrophobicContact CG-CE1 4Å; P59-Y61 PolarHBondContact O-N 3.46Å; Y61-R65 PolarHBondContact O-N 3.14Å |
| 62 | L | 58.6 | Low | 55.1 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 34% | 0.34 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.8 | -36.4 | 175 | -77.8 | 168.4 | 0 | 0 | 0 | 111.5 | V58 P59 R60 R65 V66 | V58-L62 HydrophobicContact CG1-CB 3.75Å; V58-L62 HydrophobicContact CG1-CD1 4.33Å; P59-L62 HydrophobicContact CG-CD1 4.44Å; P59-L62 WeakPolarHBondContact O-CB 3.48Å; P59-L62 PolarHBondContact O-N 3.36Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 2.94Å; L62-R65 WeakPolarHBondContact O-CB 3.43Å; L62-R65 PolarHBondContact O-N 3.48Å; L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 3.05Å |
| 63 | L | 62.6 | Low | 55.4 | Low | 93 Ų | 93 | 127.1 Ų | 127.1 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63 | -44.8 | 172.6 | -69.5 | 169 | 0 | 0 | 0 | 111.4 | V58 P59 R60 R65 V66 E67 | V58-L63 HydrophobicContact CG1-CD2 4.44Å; V58-L63 HydrophobicContact CG1-CG 4.17Å; P59-L63 PolarHBondContact O-N 3.04Å; R60-L63 PolarHBondContact O-N 3.31Å; L63-R65 PolarHBondContact O-N 3.03Å; L63-V66 PolarHBondContact O-N 3.31Å; L63-V66 VanDerWaalsContact O-N 3.14Å; L63-E67 PolarHBondContact O-N 3.16Å |
| 64 | K | 62.6 | Low | 55.3 | Low | 141 Ų | 141 | 124.1 Ų | 124.1 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -57.7 | -37.9 | 172.2 | -112.3 | -179.6 | 177.7 | -179.3 | 0 | 112.2 | R60 E67 N68 | R60-K64 PolarHBondContact O-N 2.91Å; K64-E67 PolarHBondContact O-N 2.99Å; K64-N68 VanDerWaalsContact O-CB 3.31Å; K64-N68 WeakPolarHBondContact O-CB 3.35Å; K64-N68 PolarHBondContact O-N 3.19Å; K64-N68 PolarHBondContact O-ND2 3.41Å; K64-N68 PolarHBondContact O-OD1 2.92Å |
| 65 | R | 57.5 | Low | 55.1 | Low | 174 Ų | 174 | 125.6 Ų | 125.6 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.8 | -37.4 | 178.2 | -153.3 | 173.4 | 177.4 | 169.1 | -1.3 | 111.8 | Y61 L62 L63 V69 | Y61-R65 PolarHBondContact O-N 3.14Å; L62-R65 WeakPolarHBondContact O-CB 3.43Å; L62-R65 PolarHBondContact O-N 3.48Å; L63-R65 PolarHBondContact O-N 3.03Å; R65-V69 WeakPolarHBondContact O-CG2 3.48Å; R65-V69 PolarHBondContact O-N 3.18Å |
| 66 | V | 62.2 | Low | 54.5 | Low | 80 Ų | 80 | 125.9 Ų | 125.9 | 49% | 0.485 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.1 | -39.7 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | L62 L63 V69 K70 | L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 3.05Å; L63-V66 PolarHBondContact O-N 3.31Å; L63-V66 VanDerWaalsContact O-N 3.14Å; V66-V69 PolarHBondContact O-N 2.89Å; V66-K70 WeakPolarHBondContact O-CG 3.21Å; V66-K70 PolarHBondContact O-N 3.04Å |
| 67 | E | 61.6 | Low | 53.9 | Low | 120 Ų | 120 | 128.9 Ų | 128.9 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.2 | -41.9 | 173.3 | -81.5 | 175.3 | 158.2 | 0 | 0 | 112 | L63 K64 V69 K70 Q71 | L63-E67 PolarHBondContact O-N 3.16Å; K64-E67 PolarHBondContact O-N 2.99Å; E67-V69 VanDerWaalsContact C-N 3.31Å; E67-V69 PolarHBondContact O-N 2.88Å; E67-K70 PolarHBondContact O-N 3.46Å; E67-K70 VanDerWaalsContact O-N 3.16Å; E67-Q71 WeakPolarHBondContact O-CG 3.48Å; E67-Q71 PolarHBondContact O-N 2.82Å |
| 68 | N | 60.3 | Low | 53.4 | Low | 98 Ų | 98 | 125.2 Ų | 125.2 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.4 | -36.2 | 174.4 | -70.3 | -11.7 | 0 | 0 | 0 | 112 | K64 A72 | K64-N68 VanDerWaalsContact O-CB 3.31Å; K64-N68 WeakPolarHBondContact O-CB 3.35Å; K64-N68 PolarHBondContact O-N 3.19Å; K64-N68 PolarHBondContact O-ND2 3.41Å; K64-N68 PolarHBondContact O-OD1 2.92Å; N68-A72 WeakPolarHBondContact O-CB 3.31Å; N68-A72 PolarHBondContact O-N 3.49Å |
| 69 | V | 55.1 | Low | 52.1 | Low | 80 Ų | 80 | 126 Ų | 126 | 49% | 0.485 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.3 | -34.7 | 173.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | R65 V66 E67 A72 R73 | R65-V69 WeakPolarHBondContact O-CG2 3.48Å; R65-V69 PolarHBondContact O-N 3.18Å; V66-V69 PolarHBondContact O-N 2.89Å; E67-V69 VanDerWaalsContact C-N 3.31Å; E67-V69 PolarHBondContact O-N 2.88Å; V69-A72 PolarHBondContact O-N 3.36Å; V69-R73 WeakPolarHBondContact O-CG 3.46Å; V69-R73 PolarHBondContact O-N 3.34Å |
| 70 | K | 51.9 | Low | 50.5 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.3 | -40 | 172.9 | -76.7 | -178 | 177.5 | -178 | 0 | 112.2 | V66 E67 A72 R73 G74 | V66-K70 WeakPolarHBondContact O-CG 3.21Å; V66-K70 PolarHBondContact O-N 3.04Å; E67-K70 PolarHBondContact O-N 3.46Å; E67-K70 VanDerWaalsContact O-N 3.16Å; K70-A72 VanDerWaalsContact C-N 3.35Å; K70-R73 WeakPolarHBondContact O-CB 3.5Å; K70-R73 PolarHBondContact O-N 3.13Å; K70-G74 PolarHBondContact O-N 3.39Å |
| 71 | Q | 51.4 | Low | 49.6 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.4 | -34 | 173.4 | -74.1 | -174 | -7.3 | 0 | 0 | 112.1 | E67 R73 G74 | E67-Q71 WeakPolarHBondContact O-CG 3.48Å; E67-Q71 PolarHBondContact O-N 2.82Å; Q71-R73 VanDerWaalsContact C-N 3.27Å; Q71-R73 PolarHBondContact O-N 3.41Å; Q71-G74 PolarHBondContact O-N 3.19Å; Q71-G74 VanDerWaalsContact O-N 3.13Å |
| 72 | A | 51.4 | Low | 48.5 | Very low | 65 Ų | 65 | 125.5 Ų | 125.5 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.5 | -26.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | N68 V69 K70 G74 | N68-A72 WeakPolarHBondContact O-CB 3.31Å; N68-A72 PolarHBondContact O-N 3.49Å; V69-A72 PolarHBondContact O-N 3.36Å; K70-A72 VanDerWaalsContact C-N 3.35Å; A72-G74 VanDerWaalsContact C-N 3.31Å |
| 73 | R | 46.4 | Very low | 48.1 | Very low | 210 Ų | 210 | 127.7 Ų | 127.7 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -11.7 | 172.6 | -75.4 | 179.5 | 174.4 | -174.2 | -0.9 | 113.9 | V69 K70 Q71 | V69-R73 WeakPolarHBondContact O-CG 3.46Å; V69-R73 PolarHBondContact O-N 3.34Å; K70-R73 WeakPolarHBondContact O-CB 3.5Å; K70-R73 PolarHBondContact O-N 3.13Å; Q71-R73 VanDerWaalsContact C-N 3.27Å; Q71-R73 PolarHBondContact O-N 3.41Å |
| 74 | G | 39.7 | Very low | 48.1 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 1.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K70 Q71 A72 | K70-G74 PolarHBondContact O-N 3.39Å; Q71-G74 PolarHBondContact O-N 3.19Å; Q71-G74 VanDerWaalsContact O-N 3.13Å; A72-G74 VanDerWaalsContact C-N 3.31Å |
| 75 | K | 41.3 | Very low | 49 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -66.4 | 144.5 | 162.9 | -71.1 | -176.4 | 178.5 | -177.6 | 0 | 108 | K77 | K75-K77 PolarHBondContact O-N 3.24Š|
| 76 | P | 33.8 | Very low | 50.5 | Low | 117 Ų | 117 | 117.6 Ų | 117.6 | 76% | 0.76 | 64% | 0.64 | S | S | * | * | trans | -49.7 | 124.9 | 175.4 | 22.2 | -31.8 | 0 | 0 | 0 | 106.7 | I78 | P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 3.13Å | ||
| 77 | K | 36.8 | Very low | 51.9 | Low | 203 Ų | 203 | 114.1 Ų | 114.1 | 88% | 0.883 | 62% | 0.619 | S | S | * | * | trans | -50.8 | 103.9 | 170.4 | -93.3 | 178.1 | 173.9 | 175 | 0 | 105 | K75 S79 | K75-K77 PolarHBondContact O-N 3.24Å; K77-S79 VanDerWaalsContact C-N 3.3Å; K77-S79 PolarHBondContact O-N 3.23Å | ||
| 78 | I | 38.5 | Very low | 53.4 | Low | 147 Ų | 147 | 108.4 Ų | 108.4 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | trans | -51.7 | 114.7 | 154.3 | -61.8 | 171.7 | 0 | 0 | 0 | 101.4 | P76 T80 | P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 3.13Å; I78-T80 PolarHBondContact O-N 3.05Å | ||
| 79 | S | 31.1 | Very low | 55.1 | Low | 93 Ų | 93 | 107.6 Ų | 107.6 | 65% | 0.65 | 59% | 0.585 | S | S | * | * | trans | -55 | 100.2 | 175.5 | 55.4 | 0 | 0 | 0 | 0 | 105.2 | K77 V81 | K77-S79 VanDerWaalsContact C-N 3.3Å; K77-S79 PolarHBondContact O-N 3.23Å; S79-V81 PolarHBondContact O-N 3.2Å | ||
| 80 | T | 34.9 | Very low | 56.9 | Low | 133 Ų | 133 | 104.2 Ų | 104.2 | 82% | 0.816 | 57% | 0.565 | S | S | * | * | trans | -70.2 | 84.2 | 168.3 | 39.1 | 0 | 0 | 0 | 0 | 104 | I78 K82 | I78-T80 PolarHBondContact O-N 3.05Å; T80-K82 PolarHBondContact O-N 2.65Å | ||
| 81 | V | 39.9 | Very low | 58.8 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 62% | 0.624 | 56% | 0.56 | S | S | * | * | trans | -46.8 | 121.8 | 165.3 | -176.9 | 0 | 0 | 0 | 0 | 104.3 | S79 A83 | S79-V81 PolarHBondContact O-N 3.2Å; V81-A83 PolarHBondContact O-N 3.21Å | ||
| 82 | K | 41.5 | Very low | 60.6 | Low | 196 Ų | 196 | 101 Ų | 101 | 85% | 0.852 | 55% | 0.549 | S | S | * | . | trans | -40.3 | 131.5 | 167.5 | -81.6 | -179.8 | 174.3 | 178.7 | 0 | 107.3 | T80 G84 | T80-K82 PolarHBondContact O-N 2.65Å; K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.17Å | ||
| 83 | A | 48.7 | Very low | 62.4 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 92% | 0.917 | 55% | 0.553 | S | S | * | * | trans | -51.9 | 93.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110 | V81 | V81-A83 PolarHBondContact O-N 3.21Š| ||
| 84 | G | 62.9 | Low | 64.5 | Low | 35 Ų | 35 | 96.8 Ų | 96.8 | 36% | 0.361 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 163.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | K82 L86 | K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.17Å; G84-L86 PolarHBondContact O-N 3.01Å |
| 85 | K | 81.3 | Confident | 66.9 | Low | 102 Ų | 102 | 95.6 Ų | 95.6 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -50 | 127.7 | 170.8 | -161.1 | 175.1 | -165.5 | -175 | 0 | 108.8 | A99 N130 | K85-A99 HydrophobicContact CB-CB 4.48Å; K85-A99 WeakPolarHBondContact O-CB 3.41Å; K85-A99 PolarHBondContact O-N 2.74Å; K85-N130 WeakPolarHBondContact CE-O 3.41Å; K85-N130 PolarHBondContact NZ-O 2.7Å; K85-N130 PolarHBondContact NZ-OD1 2.73Å |
| 86 | L | 89.3 | Confident | 69.3 | Low | 58 Ų | 58 | 90.4 Ų | 90.4 | 30% | 0.304 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.1 | 176.7 | -69.1 | 178.1 | 0 | 0 | 0 | 108.8 | G84 Q89 N96 Q97 N129 | G84-L86 PolarHBondContact O-N 3.01Å; L86-Q89 HydrophobicContact CD1-CB 4.37Å; L86-N96 HydrophobicContact CD2-CB 4.28Å; L86-Q97 CarbonylContact C-O 3.56Å; L86-N129 VanDerWaalsContact O-CB 3.23Å; L86-N129 WeakPolarHBondContact O-CB 3.32Å; L86-N129 PolarHBondContact O-ND2 3.35Å; L86-N129 VanDerWaalsContact O-ND2 3.1Å |
| 87 | L | 91.9 | Very high | 72 | Confident | 7 Ų | 7 | 85.3 Ų | 85.3 | 4% | 0.037 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -53 | 168 | 171.3 | 65.4 | 0 | 0 | 0 | 110.1 | Q97 A99 I128 N129 I131 | L87-Q97 PolarHBondContact N-O 3.24Å; L87-A99 HydrophobicContact CB-CB 4.25Å; L87-I128 HydrophobicContact CD1-CG2 4.06Å; L87-I128 CarbonylContact O-C 3.55Å; L87-I128 WeakPolarHBondContact O-CA 3.29Å; L87-N129 PolarHBondContact O-N 3.17Å; L87-I131 HydrophobicContact CD1-CG2 3.81Å |
| 88 | I | 93.8 | Very high | 74.5 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.1 | 175 | -53.7 | -61.2 | 0 | 0 | 0 | 108.6 | N96 Q97 F126 T127 I128 A536 R537 | I88-N96 VanDerWaalsContact O-CA 3.28Å; I88-N96 WeakPolarHBondContact O-CA 3.38Å; I88-Q97 HydrophobicContact CB-CB 3.98Å; I88-Q97 HydrophobicContact CG1-CB 4.12Å; I88-Q97 PolarHBondContact N-O 3Å; I88-Q97 VanDerWaalsContact N-O 3.15Å; I88-Q97 PolarHBondContact O-N 2.63Å; I88-F126 HydrophobicContact CG2-CD2 4.46Å; I88-T127 WeakPolarHBondContact CA-O 3.41Å; I88-I128 HydrophobicContact CD1-CB 4.3Å; I88-I128 HydrophobicContact CD1-CG1 3.75Å; I88-I128 HydrophobicContact CD1-CG2 4.3Å; I88-A536 HydrophobicContact CD1-CB 4.14Å; I88-R537 HydrophobicContact CD1-CG 4.4Å; I88-R537 HydrophobicContact CG1-CG 3.89Å |
| 89 | Q | 94.6 | Very high | 76.7 | Confident | 81 Ų | 81 | 71.2 Ų | 71.2 | 38% | 0.379 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.1 | 169.7 | 177.5 | 177.9 | -9.9 | 0 | 0 | 108.2 | L86 N96 F126 T127 | L86-Q89 HydrophobicContact CD1-CB 4.37Å; Q89-N96 WeakPolarHBondContact CA-OD1 3.47Å; Q89-F126 CarbonylContact O-C 3.55Å; Q89-F126 VanDerWaalsContact O-CA 3.29Å; Q89-F126 WeakPolarHBondContact O-CA 3.28Å; Q89-T127 PolarHBondContact N-O 3.2Å; Q89-T127 PolarHBondContact O-N 3.46Å |
| 90 | S | 94 | Very high | 79.1 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 6% | 0.063 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 168.2 | 180 | 80.8 | 0 | 0 | 0 | 0 | 111.9 | N92 N96 C112 | S90-N92 PolarHBondContact O-N 3.2Å; S90-N92 PolarHBondContact OG-N 3.21Å; S90-N92 PolarHBondContact OG-O 3.39Å; S90-N96 PolarHBondContact N-OD1 3.47Å; S90-C112 WeakPolarHBondContact CB-SG 3.39Å |
| 91 | R | 90.6 | Very high | 81.4 | Confident | 141 Ų | 141 | 69 Ų | 69 | 53% | 0.532 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -55.5 | -33.7 | 173.3 | -170.7 | -177.8 | -178.5 | 179.5 | 7.8 | 112.5 | P93 D124 Y125 | R91-P93 WeakPolarHBondContact O-CD 3.29Å; R91-D124 VanDerWaalsContact CD-OD1 3.29Å; R91-D124 WeakPolarHBondContact CD-OD1 3.27Å; R91-D124 IonicContact CZ-OD1 2.66Å; R91-D124 IonicContact NE-OD1 3.25Å; R91-D124 IonicContact NH1-OD1 3.87Å; R91-D124 PolarHBondContact NH1-OD1 3.34Å; R91-Y125 HydrophobicContact CB-CD1 3.98Å; R91-Y125 HydrophobicContact CB-CE1 3.76Å; R91-Y125 HydrophobicContact CG-CD1 4.44Å; R91-Y125 HydrophobicContact CG-CE1 4Å; R91-Y125 PolarHBondContact N-O 2.91Å; R91-Y125 VanDerWaalsContact N-O 3.11Å |
| 92 | N | 89.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -97.4 | 107.6 | 174.9 | -173.6 | -6.9 | 0 | 0 | 0 | 110.4 | S90 S94 L95 | S90-N92 PolarHBondContact O-N 3.2Å; S90-N92 PolarHBondContact OG-N 3.21Å; S90-N92 PolarHBondContact OG-O 3.39Å; N92-S94 PolarHBondContact ND2-OG 2.98Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 PolarHBondContact OD1-N 3.36Å; N92-S94 PolarHBondContact OD1-OG 3.41Å; N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.35Å; N92-L95 PolarHBondContact O-N 2.95Å |
| 93 | P | 89.4 | Confident | 85.2 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 62% | 0.623 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -59.5 | -21.6 | -174.8 | -25.6 | 35.9 | 0 | 0 | 0 | 114.8 | R91 L95 N96 | R91-P93 WeakPolarHBondContact O-CD 3.29Å; P93-L95 PolarHBondContact O-N 3.21Å; P93-N96 WeakPolarHBondContact O-CB 3.44Å; P93-N96 PolarHBondContact O-N 3.11Å |
| 94 | S | 89.6 | Confident | 86.6 | Confident | 92 Ų | 92 | 54.4 Ų | 54.4 | 64% | 0.643 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -69.6 | -19.4 | 177.5 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | N92 | N92-S94 PolarHBondContact ND2-OG 2.98Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 PolarHBondContact OD1-N 3.36Å; N92-S94 PolarHBondContact OD1-OG 3.41Å |
| 95 | L | 90.5 | Very high | 87.1 | Confident | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -95.5 | 1.7 | 178.9 | -57.2 | 179 | 0 | 0 | 0 | 112.7 | N92 P93 V110 R537 | N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.35Å; N92-L95 PolarHBondContact O-N 2.95Å; P93-L95 PolarHBondContact O-N 3.21Å; L95-V110 HydrophobicContact CD2-CB 4.25Å; L95-V110 HydrophobicContact CD2-CG1 3.61Å; L95-R537 PolarHBondContact O-NH1 2.88Å; L95-R537 PolarHBondContact O-NH2 3.45Å |
| 96 | N | 92.6 | Very high | 86.9 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | trans | -64.7 | 148.9 | 175.7 | -69 | -6.3 | 0 | 0 | 0 | 110.8 | L86 I88 Q89 S90 P93 | L86-N96 HydrophobicContact CD2-CB 4.28Å; I88-N96 VanDerWaalsContact O-CA 3.28Å; I88-N96 WeakPolarHBondContact O-CA 3.38Å; Q89-N96 WeakPolarHBondContact CA-OD1 3.47Å; S90-N96 PolarHBondContact N-OD1 3.47Å; P93-N96 WeakPolarHBondContact O-CB 3.44Å; P93-N96 PolarHBondContact O-N 3.11Å | ||
| 97 | Q | 90.4 | Very high | 86.5 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.4 | 177.2 | 179.1 | 171.1 | -26.5 | 0 | 0 | 110.3 | L86 L87 I88 F101 R537 | L86-Q97 CarbonylContact C-O 3.56Å; L87-Q97 PolarHBondContact N-O 3.24Å; I88-Q97 HydrophobicContact CB-CB 3.98Å; I88-Q97 HydrophobicContact CG1-CB 4.12Å; I88-Q97 PolarHBondContact N-O 3Å; I88-Q97 VanDerWaalsContact N-O 3.15Å; I88-Q97 PolarHBondContact O-N 2.63Å; Q97-F101 HydrophobicContact CG-CD1 3.97Å; Q97-F101 PolarHBondContact NE2-O 2.69Å; Q97-R537 PolarHBondContact NE2-O 2.89Å |
| 98 | S | 89 | Confident | 85.8 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 24% | 0.238 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.7 | 171.3 | 173.2 | 0 | 0 | 0 | 0 | 111 | G100 F101 | S98-G100 PolarHBondContact O-N 2.65Å; S98-G100 PolarHBondContact OG-N 2.73Å; S98-F101 PolarHBondContact O-N 3.41Å |
| 99 | A | 85 | Confident | 85.2 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 17% | 0.174 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K85 L87 F101 I131 K539 | K85-A99 HydrophobicContact CB-CB 4.48Å; K85-A99 WeakPolarHBondContact O-CB 3.41Å; K85-A99 PolarHBondContact O-N 2.74Å; L87-A99 HydrophobicContact CB-CB 4.25Å; A99-F101 VanDerWaalsContact C-N 3.31Å; A99-I131 HydrophobicContact CB-CG2 3.89Å; A99-K539 PolarHBondContact O-NZ 3Å |
| 100 | G | 81.6 | Confident | 84.9 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 77% | 0.773 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S98 | S98-G100 PolarHBondContact O-N 2.65Å; S98-G100 PolarHBondContact OG-N 2.73Å |
| 101 | F | 82.7 | Confident | 84.9 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | trans | -106 | 131.4 | 176.1 | -179.8 | -98.8 | 0 | 0 | 0 | 109.9 | Q97 S98 A99 | Q97-F101 HydrophobicContact CG-CD1 3.97Å; Q97-F101 PolarHBondContact NE2-O 2.69Å; S98-F101 PolarHBondContact O-N 3.41Å; A99-F101 VanDerWaalsContact C-N 3.31Å | ||
| 102 | T | 82.5 | Confident | 85 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | trans | -122.7 | 126.9 | 173.6 | -53 | 0 | 0 | 0 | 0 | 107.3 | R538 K539 | T102-R538 VanDerWaalsContact CG2-O 3.3Å; T102-R538 WeakPolarHBondContact CG2-O 2.91Å; T102-K539 HydrophobicContact CG2-CD 4.48Å; T102-K539 HydrophobicContact CG2-CG 4.43Å | ||
| 103 | A | 79.8 | Confident | 85.2 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | trans | -62.9 | 138.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P109 R537 R538 | A103-P109 HydrophobicContact CB-CB 4.35Å; A103-R537 PolarHBondContact N-O 2.88Å; A103-R538 HydrophobicContact CB-CG 4.12Å | ||
| 104 | G | 77.6 | Confident | 85.4 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 32% | 0.32 | 38% | 0.383 | S | S | . | . | trans | -63.9 | 156.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | F106 E107 | G104-F106 VanDerWaalsContact C-N 3.27Å; G104-F106 PolarHBondContact O-N 3.1Å; G104-E107 PolarHBondContact N-OE2 3.21Å; G104-E107 VanDerWaalsContact N-OE2 3.07Å; G104-E107 PolarHBondContact O-N 3.24Å | ||
| 105 | K | 73.8 | Confident | 85.5 | Confident | 173 Ų | 173 | 67.4 Ų | 67.4 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.4 | 179.5 | -174.1 | 178.5 | 179.2 | -178.9 | 0 | 112.7 | ||
| 106 | F | 76.4 | Confident | 85.7 | Confident | 192 Ų | 192 | 65.7 Ų | 65.7 | 84% | 0.842 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -4.3 | -178.7 | -56.3 | -71.5 | 0 | 0 | 0 | 113.4 | G104 | G104-F106 VanDerWaalsContact C-N 3.27Å; G104-F106 PolarHBondContact O-N 3.1Å |
| 107 | E | 80.6 | Confident | 85.9 | Confident | 98 Ų | 98 | 68.8 Ų | 68.8 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | trans | -83.1 | 127.9 | 177.4 | -168.9 | 179.9 | -174.7 | 0 | 0 | 108.7 | G104 P109 R538 | G104-E107 PolarHBondContact N-OE2 3.21Å; G104-E107 VanDerWaalsContact N-OE2 3.07Å; G104-E107 PolarHBondContact O-N 3.24Å; E107-P109 WeakPolarHBondContact O-CD 3.38Å; E107-R538 PolarHBondContact O-NH2 2.9Å | ||
| 108 | Q | 77.2 | Confident | 86.1 | Confident | 174 Ų | 174 | 74.7 Ų | 74.7 | 81% | 0.813 | 40% | 0.398 | S | S | * | . | trans | -84.2 | 107.6 | 171.5 | -71.1 | -166.4 | -1.3 | 0 | 0 | 108.8 | V110 | Q108-V110 PolarHBondContact O-N 2.83Š| ||
| 109 | P | 82.3 | Confident | 86.2 | Confident | 24 Ų | 24 | 78.5 Ų | 78.5 | 16% | 0.156 | 42% | 0.416 | C | S | . | . | trans | -64.6 | 139.6 | 179.4 | 26.9 | -33.4 | 0 | 0 | 0 | 110.2 | A103 E107 L111 T534 | A103-P109 HydrophobicContact CB-CB 4.35Å; E107-P109 WeakPolarHBondContact O-CD 3.38Å; P109-L111 HydrophobicContact CB-CD2 4.26Å; P109-L111 HydrophobicContact CG-CD2 3.93Å; P109-L111 PolarHBondContact O-N 3.31Å; P109-T534 HydrophobicContact CG-CG2 4.22Å | ||
| 110 | V | 87.3 | Confident | 86.6 | Confident | 89 Ų | 89 | 87.3 Ų | 87.3 | 54% | 0.539 | 45% | 0.45 | S | S | . | . | trans | -73.8 | 111.8 | 169.2 | -174.1 | 0 | 0 | 0 | 0 | 108 | L95 Q108 | L95-V110 HydrophobicContact CD2-CB 4.25Å; L95-V110 HydrophobicContact CD2-CG1 3.61Å; Q108-V110 PolarHBondContact O-N 2.83Å | ||
| 111 | L | 93.3 | Very high | 87.1 | Confident | 24 Ų | 24 | 84 Ų | 84 | 13% | 0.126 | 42% | 0.416 | C | S | . | . | trans | -82.3 | 141.3 | -174.8 | -58.4 | -177.4 | 0 | 0 | 0 | 112.1 | P109 S113 K114 Q530 E533 | P109-L111 HydrophobicContact CB-CD2 4.26Å; P109-L111 HydrophobicContact CG-CD2 3.93Å; P109-L111 PolarHBondContact O-N 3.31Å; L111-S113 PolarHBondContact O-N 3Å; L111-K114 HydrophobicContact CB-CB 4.32Å; L111-K114 WeakPolarHBondContact O-CB 3.11Å; L111-K114 PolarHBondContact O-N 3.3Å; L111-Q530 HydrophobicContact CD1-CB 3.73Å; L111-Q530 HydrophobicContact CD1-CG 3.73Å; L111-E533 VanDerWaalsContact CA-OE1 3.3Å; L111-E533 WeakPolarHBondContact CA-OE1 3.35Å; L111-E533 WeakPolarHBondContact CB-OE2 3.36Å; L111-E533 HydrophobicContact CD2-CB 4.31Å; L111-E533 HydrophobicContact CD2-CG 4.05Å | ||
| 112 | C | 94.1 | Very high | 87.7 | Confident | 12 Ų | 12 | 81.4 Ų | 81.4 | 8% | 0.081 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -36.6 | 167.9 | -64 | 0 | 0 | 0 | 0 | 111.2 | S90 K114 W116 F126 E533 R537 | S90-C112 WeakPolarHBondContact CB-SG 3.39Å; C112-K114 PolarHBondContact O-N 3.37Å; C112-W116 PolarHBondContact O-NE1 3.14Å; C112-F126 HydrophobicContact CB-CB 3.78Å; C112-F126 HydrophobicContact CB-CD1 3.93Å; C112-F126 HydrophobicContact CB-CG 3.95Å; C112-E533 WeakPolarHBondContact CB-OE1 3.32Å; C112-E533 VanDerWaalsContact N-CD 3.34Å; C112-E533 PolarHBondContact N-OE1 2.91Å; C112-E533 PolarHBondContact N-OE2 2.63Å; C112-E533 VanDerWaalsContact N-OE2 3.17Å; C112-R537 PolarHBondContact SG-NH2 3.29Å |
| 113 | S | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 4.5 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | L111 G115 W116 Q530 E533 | L111-S113 PolarHBondContact O-N 3Å; S113-G115 PolarHBondContact O-N 2.91Å; S113-G115 VanDerWaalsContact O-N 3.14Å; S113-W116 WeakPolarHBondContact O-CB 3.35Å; S113-W116 PolarHBondContact O-N 3.34Å; S113-W116 VanDerWaalsContact O-N 3.17Å; S113-Q530 PolarHBondContact O-NE2 2.92Å; S113-Q530 WeakPolarHBondContact OG-CG 3.41Å; S113-E533 WeakPolarHBondContact CB-OE2 3.17Å; S113-E533 PolarHBondContact N-OE2 3.34Å; S113-E533 PolarHBondContact OG-OE2 3.29Å |
| 114 | K | 92.2 | Very high | 89 | Confident | 159 Ų | 159 | 82 Ų | 82 | 69% | 0.691 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 113.9 | 175.3 | -171.9 | 176.1 | -179.2 | 177.2 | 0 | 109.4 | L111 C112 | L111-K114 HydrophobicContact CB-CB 4.32Å; L111-K114 WeakPolarHBondContact O-CB 3.11Å; L111-K114 PolarHBondContact O-N 3.3Å; C112-K114 PolarHBondContact O-N 3.37Å |
| 115 | G | 92.2 | Very high | 89.9 | Confident | 34 Ų | 34 | 84.7 Ų | 84.7 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | 0.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | S113 K117 H118 | S113-G115 PolarHBondContact O-N 2.91Å; S113-G115 VanDerWaalsContact O-N 3.14Å; G115-K117 PolarHBondContact O-N 2.75Å; G115-H118 PolarHBondContact O-N 2.88Å |
| 116 | W | 96 | Very high | 91 | Very high | 3 Ų | 3 | 76.4 Ų | 76.4 | 1% | 0.011 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -5.4 | 178.9 | -78.5 | 23.9 | 0 | 0 | 0 | 115.3 | C112 S113 S121 D124 F126 F389 K391 V520 V526 V529 | C112-W116 PolarHBondContact O-NE1 3.14Å; S113-W116 WeakPolarHBondContact O-CB 3.35Å; S113-W116 PolarHBondContact O-N 3.34Å; S113-W116 VanDerWaalsContact O-N 3.17Å; W116-S121 WeakPolarHBondContact CA-OG 3.28Å; W116-D124 HydrophobicContact CZ2-CB 4Å; W116-F126 AromaticContact CH2-CD1 3.62Å; W116-F126 HydrophobicContact CH2-CD1 3.62Å; W116-F126 AromaticContact CH2-CE1 3.84Å; W116-F126 HydrophobicContact CH2-CE1 3.84Å; W116-F126 AromaticContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CE1 4.41Å; W116-F126 HydrophobicContact CZ3-CD1 4.37Å; W116-F126 HydrophobicContact CZ3-CE1 4.13Å; W116-F389 HydrophobicContact CH2-CB 4.14Å; W116-F389 HydrophobicContact CZ3-CB 4.17Å; W116-K391 HydrophobicContact CB-CD 4.27Å; W116-K391 HydrophobicContact CD2-CB 4.05Å; W116-K391 HydrophobicContact CD2-CD 4.38Å; W116-K391 HydrophobicContact CE3-CB 3.98Å; W116-K391 HydrophobicContact CE3-CD 4.19Å; W116-K391 HydrophobicContact CG-CD 4.45Å; W116-K391 HydrophobicContact CH2-CB 4.37Å; W116-K391 HydrophobicContact CZ2-CB 4.43Å; W116-K391 HydrophobicContact CZ3-CB 4.14Å; W116-K391 WeakPolarHBondContact O-CE 3.33Å; W116-K391 PolarHBondContact O-NZ 3.27Å; W116-K391 VanDerWaalsContact O-NZ 3.14Å; W116-V520 HydrophobicContact CE3-CB 4.31Å; W116-V520 HydrophobicContact CE3-CG1 4.16Å; W116-V520 HydrophobicContact CE3-CG2 4.5Å; W116-V520 HydrophobicContact CZ3-CB 4.18Å; W116-V520 HydrophobicContact CZ3-CG1 4.49Å; W116-V520 HydrophobicContact CZ3-CG2 4.02Å; W116-V526 HydrophobicContact CB-CG1 3.85Å; W116-V526 HydrophobicContact CB-CG2 3.89Å; W116-V526 WeakPolarHBondContact O-CG2 3.45Å; W116-V529 HydrophobicContact CE3-CG1 4.36Å; W116-V529 HydrophobicContact CZ3-CG1 4.21Å |
| 117 | K | 94.9 | Very high | 92 | Very high | 116 Ų | 116 | 67.8 Ų | 67.8 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.5 | 168.1 | -65.8 | -171.4 | 175.4 | -175.9 | 0 | 112.3 | G115 P523 V526 | G115-K117 PolarHBondContact O-N 2.75Å; K117-P523 HydrophobicContact CB-CB 4.43Å; K117-P523 HydrophobicContact CG-CB 4.41Å; K117-V526 HydrophobicContact CG-CB 4.11Å; K117-V526 HydrophobicContact CG-CG1 4.06Å; K117-V526 HydrophobicContact CG-CG2 4.22Å |
| 118 | H | 94.7 | Very high | 92.7 | Very high | 133 Ų | 133 | 63.5 Ų | 63.5 | 62% | 0.616 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -95.6 | 141.4 | 179.3 | -61.3 | -69 | 0 | 0 | 0 | 112.3 | G115 K120 S121 | G115-H118 PolarHBondContact O-N 2.88Å; H118-K120 PolarHBondContact O-N 3.19Å; H118-S121 WeakPolarHBondContact O-CB 3.48Å; H118-S121 PolarHBondContact O-N 3.32Å; H118-S121 PolarHBondContact O-OG 3.23Å |
| 119 | N | 91.1 | Very high | 93.5 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -60.9 | -18.8 | 178.3 | -69 | -3.7 | 0 | 0 | 0 | 114.3 | S121 F122 | N119-S121 PolarHBondContact O-N 3.27Å; N119-F122 HydrophobicContact CB-CD2 3.95Å; N119-F122 HydrophobicContact CB-CE2 3.45Å; N119-F122 VanDerWaalsContact CB-CE2 3.45Å; N119-F122 HydrophobicContact CB-CZ 4.28Å; N119-F122 VanDerWaalsContact CG-CE2 3.5Å; N119-F122 WeakPolarHBondContact O-CD2 3.49Å; N119-F122 WeakPolarHBondContact O-CG 3.15Å; N119-F122 PolarHBondContact O-N 2.92Å |
| 120 | K | 93.6 | Very high | 93.7 | Very high | 207 Ų | 207 | 57.7 Ų | 57.7 | 90% | 0.9 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -65.2 | -17.6 | 175.4 | -66.4 | -176.5 | 179.5 | 179.6 | 0 | 113.3 | H118 F122 | H118-K120 PolarHBondContact O-N 3.19Å; K120-F122 VanDerWaalsContact C-N 3.34Å |
| 121 | S | 93.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -84.3 | -1.1 | 178.9 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | W116 H118 N119 G123 D124 K391 | W116-S121 WeakPolarHBondContact CA-OG 3.28Å; H118-S121 WeakPolarHBondContact O-CB 3.48Å; H118-S121 PolarHBondContact O-N 3.32Å; H118-S121 PolarHBondContact O-OG 3.23Å; N119-S121 PolarHBondContact O-N 3.27Å; S121-G123 PolarHBondContact O-N 3Å; S121-D124 WeakPolarHBondContact CA-OD2 3.19Å; S121-D124 WeakPolarHBondContact O-CB 3.33Å; S121-D124 PolarHBondContact O-N 3.19Å; S121-K391 WeakPolarHBondContact O-CB 3.33Å; S121-K391 WeakPolarHBondContact O-CG 3.28Å |
| 122 | F | 94.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 130.1 | 175.5 | -67.9 | -53 | 0 | 0 | 0 | 110.7 | N119 K120 K391 V392 K393 | N119-F122 HydrophobicContact CB-CD2 3.95Å; N119-F122 HydrophobicContact CB-CE2 3.45Å; N119-F122 VanDerWaalsContact CB-CE2 3.45Å; N119-F122 HydrophobicContact CB-CZ 4.28Å; N119-F122 VanDerWaalsContact CG-CE2 3.5Å; N119-F122 WeakPolarHBondContact O-CD2 3.49Å; N119-F122 WeakPolarHBondContact O-CG 3.15Å; N119-F122 PolarHBondContact O-N 2.92Å; K120-F122 VanDerWaalsContact C-N 3.34Å; F122-K391 HydrophobicContact CD1-CG 3.96Å; F122-K391 HydrophobicContact CE1-CG 4.5Å; F122-V392 VanDerWaalsContact CD1-C 3.48Å; F122-V392 VanDerWaalsContact CE1-O 3.32Å; F122-V392 WeakPolarHBondContact CE1-O 3.47Å; F122-K393 HydrophobicContact CB-CG 4.11Å; F122-K393 HydrophobicContact CD1-CB 4.46Å; F122-K393 HydrophobicContact CD1-CG 3.63Å; F122-K393 HydrophobicContact CD2-CD 3.99Å; F122-K393 HydrophobicContact CD2-CG 3.44Å; F122-K393 VanDerWaalsContact CD2-CG 3.44Å; F122-K393 HydrophobicContact CE1-CB 4.43Å; F122-K393 HydrophobicContact CE1-CG 3.82Å; F122-K393 HydrophobicContact CE2-CD 4.31Å; F122-K393 HydrophobicContact CE2-CG 3.64Å; F122-K393 HydrophobicContact CG-CD 4.32Å; F122-K393 HydrophobicContact CG-CG 3.47Å; F122-K393 VanDerWaalsContact CG-CG 3.47Å; F122-K393 HydrophobicContact CZ-CG 3.84Å |
| 123 | G | 92.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 67 Ų | 67 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -6.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S121 K391 | S121-G123 PolarHBondContact O-N 3Å; G123-K391 PolarHBondContact N-O 3.13Å |
| 124 | D | 96.1 | Very high | 90.9 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | trans | -73.1 | 146.3 | 170.1 | -69.4 | -16.2 | 0 | 0 | 0 | 110.9 | R91 W116 S121 K391 | R91-D124 VanDerWaalsContact CD-OD1 3.29Å; R91-D124 WeakPolarHBondContact CD-OD1 3.27Å; R91-D124 IonicContact CZ-OD1 2.66Å; R91-D124 IonicContact NE-OD1 3.25Å; R91-D124 IonicContact NH1-OD1 3.87Å; R91-D124 PolarHBondContact NH1-OD1 3.34Å; W116-D124 HydrophobicContact CZ2-CB 4Å; S121-D124 WeakPolarHBondContact CA-OD2 3.19Å; S121-D124 WeakPolarHBondContact O-CB 3.33Å; S121-D124 PolarHBondContact O-N 3.19Å; D124-K391 WeakPolarHBondContact O-CB 3.36Å; D124-K391 PolarHBondContact O-N 3.22Å | ||
| 125 | Y | 96.9 | Very high | 90.1 | Very high | 87 Ų | 87 | 64 Ų | 64 | 34% | 0.341 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 158.9 | 179.4 | 69 | -86 | 0 | 0 | 0 | 111.9 | R91 F389 | R91-Y125 HydrophobicContact CB-CD1 3.98Å; R91-Y125 HydrophobicContact CB-CE1 3.76Å; R91-Y125 HydrophobicContact CG-CD1 4.44Å; R91-Y125 HydrophobicContact CG-CE1 4Å; R91-Y125 PolarHBondContact N-O 2.91Å; R91-Y125 VanDerWaalsContact N-O 3.11Å; Y125-F389 WeakPolarHBondContact CA-O 3.29Å; Y125-F389 VanDerWaalsContact CB-O 3.27Å; Y125-F389 WeakPolarHBondContact CB-O 3.31Å |
| 126 | F | 97.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.9 | 160.8 | 72 | -85.5 | 0 | 0 | 0 | 110.6 | I88 Q89 C112 W116 I128 F389 V529 E533 | I88-F126 HydrophobicContact CG2-CD2 4.46Å; Q89-F126 CarbonylContact O-C 3.55Å; Q89-F126 VanDerWaalsContact O-CA 3.29Å; Q89-F126 WeakPolarHBondContact O-CA 3.28Å; C112-F126 HydrophobicContact CB-CB 3.78Å; C112-F126 HydrophobicContact CB-CD1 3.93Å; C112-F126 HydrophobicContact CB-CG 3.95Å; W116-F126 AromaticContact CH2-CD1 3.62Å; W116-F126 HydrophobicContact CH2-CD1 3.62Å; W116-F126 AromaticContact CH2-CE1 3.84Å; W116-F126 HydrophobicContact CH2-CE1 3.84Å; W116-F126 AromaticContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CE1 4.41Å; W116-F126 HydrophobicContact CZ3-CD1 4.37Å; W116-F126 HydrophobicContact CZ3-CE1 4.13Å; F126-I128 HydrophobicContact CD2-CG1 4.37Å; F126-I128 HydrophobicContact CE2-CD1 4.38Å; F126-I128 HydrophobicContact CE2-CG1 4.08Å; F126-F389 HydrophobicContact CD1-CB 4.06Å; F126-F389 HydrophobicContact CD2-CD2 4.12Å; F126-F389 HydrophobicContact CE1-CB 3.6Å; F126-F389 HydrophobicContact CE1-CD2 4.07Å; F126-F389 AromaticContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE2-CB 4.42Å; F126-F389 AromaticContact CE2-CD2 3.39Å; F126-F389 HydrophobicContact CE2-CD2 3.39Å; F126-F389 AromaticContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CG 4.1Å; F126-F389 HydrophobicContact CZ-CB 3.81Å; F126-F389 HydrophobicContact CZ-CD1 4.39Å; F126-F389 AromaticContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CE2 4.03Å; F126-F389 AromaticContact CZ-CG 3.59Å; F126-F389 HydrophobicContact CZ-CG 3.59Å; F126-F389 PolarHBondContact N-O 3.22Å; F126-F389 PolarHBondContact O-N 2.99Å; F126-V529 HydrophobicContact CE1-CG1 3.59Å; F126-V529 HydrophobicContact CZ-CG1 3.75Å; F126-E533 HydrophobicContact CD2-CG 4.45Å; F126-E533 HydrophobicContact CE2-CB 4.11Å; F126-E533 HydrophobicContact CE2-CG 3.95Å; F126-E533 HydrophobicContact CZ-CB 3.92Å; F126-E533 HydrophobicContact CZ-CG 4.1Å |
| 127 | T | 97 | Very high | 87.9 | Confident | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.7 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | I88 Q89 N129 K386 Q387 T388 | I88-T127 WeakPolarHBondContact CA-O 3.41Å; Q89-T127 PolarHBondContact N-O 3.2Å; Q89-T127 PolarHBondContact O-N 3.46Å; T127-N129 WeakPolarHBondContact CG2-OD1 3.4Å; T127-K386 HydrophobicContact CG2-CD 4.27Å; T127-K386 HydrophobicContact CG2-CG 3.66Å; T127-Q387 CarbonylContact C-O 3.46Å; T127-Q387 VanDerWaalsContact CA-O 3.32Å; T127-Q387 WeakPolarHBondContact CA-O 3.43Å; T127-T388 WeakPolarHBondContact CG2-OG1 3.46Å; T127-T388 WeakPolarHBondContact OG1-CG2 3.43Å; T127-T388 PolarHBondContact OG1-OG1 3.35Å |
| 128 | I | 95.9 | Very high | 86.8 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.4 | 163.5 | -49.2 | 171 | 0 | 0 | 0 | 106.1 | L87 I88 F126 L381 K386 Q387 F389 I532 A536 | L87-I128 HydrophobicContact CD1-CG2 4.06Å; L87-I128 CarbonylContact O-C 3.55Å; L87-I128 WeakPolarHBondContact O-CA 3.29Å; I88-I128 HydrophobicContact CD1-CB 4.3Å; I88-I128 HydrophobicContact CD1-CG1 3.75Å; I88-I128 HydrophobicContact CD1-CG2 4.3Å; F126-I128 HydrophobicContact CD2-CG1 4.37Å; F126-I128 HydrophobicContact CE2-CD1 4.38Å; F126-I128 HydrophobicContact CE2-CG1 4.08Å; I128-L381 HydrophobicContact CD1-CD1 3.96Å; I128-K386 WeakPolarHBondContact O-CA 3.24Å; I128-Q387 HydrophobicContact CB-CB 4.28Å; I128-Q387 HydrophobicContact CD1-CB 4.48Å; I128-Q387 PolarHBondContact N-O 3.15Å; I128-Q387 PolarHBondContact O-N 3.04Å; I128-F389 HydrophobicContact CD1-CE2 3.83Å; I128-F389 HydrophobicContact CG1-CE2 4.36Å; I128-I532 HydrophobicContact CD1-CG2 4.21Å; I128-A536 HydrophobicContact CD1-CB 3.65Å; I128-A536 HydrophobicContact CG1-CB 4.15Å; I128-A536 HydrophobicContact CG2-CB 4.21Å |
| 129 | N | 92.8 | Very high | 85 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | trans | -77.7 | 151.9 | -179.8 | -68.5 | -43.7 | 0 | 0 | 0 | 110.9 | L86 L87 T127 I131 | L86-N129 VanDerWaalsContact O-CB 3.23Å; L86-N129 WeakPolarHBondContact O-CB 3.32Å; L86-N129 PolarHBondContact O-ND2 3.35Å; L86-N129 VanDerWaalsContact O-ND2 3.1Å; L87-N129 PolarHBondContact O-N 3.17Å; T127-N129 WeakPolarHBondContact CG2-OD1 3.4Å; N129-I131 PolarHBondContact O-N 3.12Å | ||
| 130 | N | 87.6 | Confident | 83.1 | Confident | 50 Ų | 50 | 55 Ų | 55 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | trans | -63.3 | 130 | 172 | 61.6 | -9.5 | 0 | 0 | 0 | 110.2 | K85 P383 H384 | K85-N130 WeakPolarHBondContact CE-O 3.41Å; K85-N130 PolarHBondContact NZ-O 2.7Å; K85-N130 PolarHBondContact NZ-OD1 2.73Å; N130-P383 CarbonylContact C-O 3.52Å; N130-P383 WeakPolarHBondContact CA-O 3.29Å; N130-H384 VanDerWaalsContact CB-O 3.28Å; N130-H384 WeakPolarHBondContact CB-O 3.36Å | ||
| 131 | I | 82.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | trans | -104.3 | -17.4 | 176 | 56 | 168.1 | 0 | 0 | 0 | 112.3 | L87 A99 N129 P383 | L87-I131 HydrophobicContact CD1-CG2 3.81Å; A99-I131 HydrophobicContact CB-CG2 3.89Å; N129-I131 PolarHBondContact O-N 3.12Å; I131-P383 HydrophobicContact CD1-CB 4.01Å; I131-P383 HydrophobicContact CG1-CB 3.7Å; I131-P383 PolarHBondContact N-O 3.07Å | ||
| 132 | K | 79.8 | Confident | 78.2 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | trans | -116.4 | 148 | 173.7 | -64.5 | -172 | 179.6 | -173.5 | 0 | 109.7 | P136 P383 H384 | K132-P136 HydrophobicContact CD-CG 4.34Å; K132-P383 HydrophobicContact CD-CB 4.28Å; K132-P383 HydrophobicContact CD-CG 3.93Å; K132-P383 HydrophobicContact CG-CB 4.26Å; K132-P383 HydrophobicContact CG-CG 4.39Å; K132-P383 PolarHBondContact N-O 3.31Å; K132-P383 VanDerWaalsContact N-O 3.15Å; K132-H384 HydrophobicContact CB-CB 4.41Å; K132-H384 VanDerWaalsContact O-CA 3.29Å; K132-H384 WeakPolarHBondContact O-CA 3.27Å | ||
| 133 | E | 72.3 | Confident | 75.4 | Confident | 169 Ų | 169 | 60.4 Ų | 60.4 | 79% | 0.79 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -85.4 | -41 | 173 | -67.3 | 176.6 | 178.7 | 0 | 0 | 110.4 | ||
| 134 | V | 74.7 | Confident | 72.8 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -100.3 | 144 | -179.5 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | I138 | V134-I138 HydrophobicContact CG1-CB 3.96Å; V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.35Å; V134-I138 HydrophobicContact CG1-CG2 4.25Å |
| 135 | A | 76.2 | Confident | 69.9 | Low | 9 Ų | 9 | 67.3 Ų | 67.3 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | trans | -63.5 | 135.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F137 I138 | A135-F137 HydrophobicContact CB-CD1 4.11Å; A135-F137 HydrophobicContact CB-CD2 4.13Å; A135-F137 HydrophobicContact CB-CE1 3.53Å; A135-F137 HydrophobicContact CB-CE2 3.48Å; A135-F137 VanDerWaalsContact CB-CE2 3.48Å; A135-F137 HydrophobicContact CB-CG 4.39Å; A135-F137 HydrophobicContact CB-CZ 3.16Å; A135-F137 PolarHBondContact O-N 2.96Å; A135-I138 PolarHBondContact O-N 3.29Å; A135-I138 VanDerWaalsContact O-N 3.16Å | ||
| 136 | P | 70.4 | Confident | 67.1 | Low | 32 Ų | 32 | 70.7 Ų | 70.7 | 21% | 0.208 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.7 | -174 | -26.5 | 33.9 | 0 | 0 | 0 | 116.9 | K132 M377 P383 | K132-P136 HydrophobicContact CD-CG 4.34Å; P136-M377 HydrophobicContact CB-CG 3.7Å; P136-M377 HydrophobicContact CB-SD 4.36Å; P136-M377 HydrophobicContact CG-CE 4.16Å; P136-M377 HydrophobicContact CG-CG 4.19Å; P136-M377 HydrophobicContact CG-SD 4.46Å; P136-P383 HydrophobicContact CG-CG 3.46Å; P136-P383 VanDerWaalsContact CG-CG 3.46Å |
| 137 | F | 70 | Confident | 64.3 | Low | 7 Ų | 7 | 79.1 Ų | 79.1 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -15.6 | -178.8 | 48.3 | -109 | 0 | 0 | 0 | 113.4 | A135 A139 T176 V177 E197 A508 | A135-F137 HydrophobicContact CB-CD1 4.11Å; A135-F137 HydrophobicContact CB-CD2 4.13Å; A135-F137 HydrophobicContact CB-CE1 3.53Å; A135-F137 HydrophobicContact CB-CE2 3.48Å; A135-F137 VanDerWaalsContact CB-CE2 3.48Å; A135-F137 HydrophobicContact CB-CG 4.39Å; A135-F137 HydrophobicContact CB-CZ 3.16Å; A135-F137 PolarHBondContact O-N 2.96Å; F137-A139 PolarHBondContact O-N 3.39Å; F137-T176 WeakPolarHBondContact O-CB 3.41Å; F137-V177 PolarHBondContact O-N 3.29Å; F137-E197 HydrophobicContact CD1-CG 4.03Å; F137-A508 HydrophobicContact CD2-CB 4.36Å; F137-A508 HydrophobicContact CE2-CB 3.57Å; F137-A508 HydrophobicContact CZ-CB 4.32Å |
| 138 | I | 72.3 | Confident | 61.5 | Low | 73 Ų | 73 | 88.6 Ų | 88.6 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -74.5 | 123.5 | 170.8 | -62 | 175.2 | 0 | 0 | 0 | 106.4 | V134 A135 A140 | V134-I138 HydrophobicContact CG1-CB 3.96Å; V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.35Å; V134-I138 HydrophobicContact CG1-CG2 4.25Å; A135-I138 PolarHBondContact O-N 3.29Å; A135-I138 VanDerWaalsContact O-N 3.16Å; I138-A140 PolarHBondContact O-N 2.95Å |
| 139 | A | 57.8 | Low | 59.5 | Low | 31 Ų | 31 | 97.4 Ų | 97.4 | 26% | 0.256 | 54% | 0.535 | S | S | . | . | trans | -62.1 | 100.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F137 S141 | F137-A139 PolarHBondContact O-N 3.39Å; A139-S141 PolarHBondContact O-N 2.88Å | ||
| 140 | A | 51 | Low | 58 | Low | 70 Ų | 70 | 100.6 Ų | 100.6 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | trans | -72.8 | 116.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I138 Q142 | I138-A140 PolarHBondContact O-N 2.95Å; A140-Q142 PolarHBondContact O-N 3.25Å | ||
| 141 | S | 42.9 | Very low | 57.1 | Low | 97 Ų | 97 | 100.5 Ų | 100.5 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -66.5 | 20.9 | 157.4 | 33.2 | 0 | 0 | 0 | 0 | 112.9 | A139 | A139-S141 PolarHBondContact O-N 2.88Š|
| 142 | Q | 41.5 | Very low | 56.9 | Low | 170 Ų | 170 | 100.1 Ų | 100.1 | 79% | 0.794 | 56% | 0.562 | S | S | * | * | trans | -140.4 | 74 | -175.1 | -63.3 | -168.4 | 5.7 | 0 | 0 | 111 | A140 | A140-Q142 PolarHBondContact O-N 3.25Š| ||
| 143 | S | 35.2 | Very low | 57.2 | Low | 108 Ų | 108 | 97.6 Ų | 97.6 | 76% | 0.755 | 56% | 0.555 | S | S | * | * | trans | -113.3 | 111.1 | 148.5 | -51.3 | 0 | 0 | 0 | 0 | 105.1 | D145 | S143-D145 VanDerWaalsContact C-N 3.25Å; S143-D145 PolarHBondContact O-N 3.49Å | ||
| 144 | G | 38 | Very low | 58 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -65.9 | 90.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 145 | D | 35.2 | Very low | 58.6 | Low | 150 Ų | 150 | 91.7 Ų | 91.7 | 80% | 0.802 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 165.2 | 125.3 | 140 | -83 | -27.3 | 0 | 0 | 0 | 108.8 | S143 | S143-D145 VanDerWaalsContact C-N 3.25Å; S143-D145 PolarHBondContact O-N 3.49Å |
| 146 | I | 37.9 | Very low | 59.1 | Low | 158 Ų | 158 | 95.9 Ų | 95.9 | 81% | 0.81 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 88.8 | 104.8 | 169.8 | -47.4 | 171.5 | 0 | 0 | 0 | 116.7 | ||
| 147 | E | 39.5 | Very low | 59.9 | Low | 177 Ų | 177 | 95.2 Ų | 95.2 | 83% | 0.827 | 54% | 0.538 | S | S | * | . | trans | 68.3 | 120.3 | 160.1 | -71.1 | -179.1 | 173.4 | 0 | 0 | 120.6 | K149 | E147-K149 PolarHBondContact O-N 3.42Š| ||
| 148 | Q | 38.4 | Very low | 60.7 | Low | 210 Ų | 210 | 102.4 Ų | 102.4 | 98% | 0.981 | 57% | 0.571 | S | S | * | * | trans | -60.6 | 71.9 | 169.1 | -67.7 | 173.1 | -25.4 | 0 | 0 | 111.9 | ||||
| 149 | K | 54.1 | Low | 61.6 | Low | 192 Ų | 192 | 99.6 Ų | 99.6 | 84% | 0.835 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 118.5 | 163.8 | -149.3 | 166.4 | -172.8 | 170.4 | 0 | 107.6 | E147 | E147-K149 PolarHBondContact O-N 3.42Š|
| 150 | S | 60.6 | Low | 63.1 | Low | 94 Ų | 94 | 98.9 Ų | 98.9 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -46.4 | 139.1 | 172.2 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 151 | P | 68.6 | Low | 65.1 | Low | 47 Ų | 47 | 102.4 Ų | 102.4 | 31% | 0.305 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 138 | -177.9 | 24.6 | -33.7 | 0 | 0 | 0 | 109.3 | T153 | P151-T153 PolarHBondContact O-N 3.48Š|
| 152 | P | 78.9 | Confident | 67.5 | Low | 47 Ų | 47 | 101.1 Ų | 101.1 | 31% | 0.305 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 135.2 | -178.1 | 26.9 | -34.3 | 0 | 0 | 0 | 109.1 | P175 L180 | P152-P175 WeakPolarHBondContact O-CD 3.16Å; P152-L180 HydrophobicContact CB-CD1 4.25Å; P152-L180 HydrophobicContact CB-CD2 3.94Å; P152-L180 HydrophobicContact CG-CD1 3.62Å; P152-L180 HydrophobicContact CG-CD2 4.2Å |
| 153 | T | 86.6 | Confident | 70.1 | Confident | 45 Ų | 45 | 93 Ų | 93 | 28% | 0.276 | 50% | 0.5 | S | S | . | . | trans | -108.2 | 166 | 178.9 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | P151 Q155 N156 | P151-T153 PolarHBondContact O-N 3.48Å; T153-Q155 PolarHBondContact O-N 3.11Å; T153-N156 PolarHBondContact N-OD1 2.83Å; T153-N156 WeakPolarHBondContact O-CB 3.29Å; T153-N156 PolarHBondContact O-N 3.15Å; T153-N156 VanDerWaalsContact O-N 3.12Å; T153-N156 PolarHBondContact OG1-OD1 2.83Å | ||
| 154 | F | 88.6 | Confident | 72.8 | Confident | 6 Ų | 6 | 88.4 Ų | 88.4 | 3% | 0.026 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -62.7 | -27.9 | 173.4 | -74.4 | -78 | 0 | 0 | 0 | 112.9 | N156 L157 I159 V164 L167 I172 P175 L208 | F154-N156 PolarHBondContact O-N 3.38Å; F154-L157 HydrophobicContact CD1-CD1 4.04Å; F154-L157 WeakPolarHBondContact O-CB 3.29Å; F154-L157 PolarHBondContact O-N 3.01Å; F154-I159 HydrophobicContact CB-CD1 4.15Å; F154-I159 HydrophobicContact CD1-CD1 4.26Å; F154-V164 HydrophobicContact CB-CG2 4.36Å; F154-L167 HydrophobicContact CB-CD1 4.18Å; F154-L167 HydrophobicContact CD1-CD1 3.57Å; F154-L167 HydrophobicContact CD2-CD1 3.84Å; F154-L167 HydrophobicContact CE1-CD1 3.81Å; F154-L167 HydrophobicContact CE2-CD1 4.06Å; F154-L167 HydrophobicContact CG-CD1 3.58Å; F154-L167 HydrophobicContact CZ-CD1 4.05Å; F154-I172 HydrophobicContact CE2-CG2 3.79Å; F154-I172 HydrophobicContact CZ-CG2 3.91Å; F154-P175 HydrophobicContact CD1-CB 4.17Å; F154-P175 HydrophobicContact CE1-CB 3.74Å; F154-P175 HydrophobicContact CE2-CB 4.3Å; F154-P175 VanDerWaalsContact CZ-CA 3.49Å; F154-P175 HydrophobicContact CZ-CB 3.82Å; F154-L208 HydrophobicContact CD1-CD1 3.99Å; F154-L208 HydrophobicContact CE1-CD1 3.66Å |
| 155 | Q | 86.5 | Confident | 75.5 | Confident | 124 Ų | 124 | 89.2 Ų | 89.2 | 58% | 0.579 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -60.1 | -33.4 | 174 | -64.5 | 177.1 | 1.1 | 0 | 0 | 111.9 | T153 L157 H158 V164 | T153-Q155 PolarHBondContact O-N 3.11Å; Q155-L157 PolarHBondContact O-N 2.8Å; Q155-H158 PolarHBondContact O-N 2.91Å; Q155-V164 HydrophobicContact CG-CG1 3.75Å; Q155-V164 HydrophobicContact CG-CG2 4.36Å |
| 156 | N | 86.4 | Confident | 78.3 | Confident | 97 Ų | 97 | 82.2 Ų | 82.2 | 52% | 0.519 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -71.6 | -6.9 | 177.7 | -55.5 | 124.2 | 0 | 0 | 0 | 113.8 | T153 F154 | T153-N156 PolarHBondContact N-OD1 2.83Å; T153-N156 WeakPolarHBondContact O-CB 3.29Å; T153-N156 PolarHBondContact O-N 3.15Å; T153-N156 VanDerWaalsContact O-N 3.12Å; T153-N156 PolarHBondContact OG1-OD1 2.83Å; F154-N156 PolarHBondContact O-N 3.38Å |
| 157 | L | 88.3 | Confident | 81 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -92.5 | 2.1 | 178.6 | -63.6 | 177.1 | 0 | 0 | 0 | 113.5 | F154 Q155 I159 P175 L180 I183 P184 | F154-L157 HydrophobicContact CD1-CD1 4.04Å; F154-L157 WeakPolarHBondContact O-CB 3.29Å; F154-L157 PolarHBondContact O-N 3.01Å; Q155-L157 PolarHBondContact O-N 2.8Å; L157-I159 HydrophobicContact CB-CG2 4.34Å; L157-I159 PolarHBondContact O-N 2.75Å; L157-P175 HydrophobicContact CD1-CB 4.26Å; L157-L180 HydrophobicContact CD1-CD2 4.5Å; L157-L180 HydrophobicContact CD2-CD2 3.99Å; L157-L180 HydrophobicContact CG-CD2 4.49Å; L157-I183 HydrophobicContact CB-CG2 4.43Å; L157-I183 HydrophobicContact CD1-CB 4.45Å; L157-I183 HydrophobicContact CD1-CD1 3.75Å; L157-I183 HydrophobicContact CD1-CG2 4.38Å; L157-P184 HydrophobicContact CD2-CG 4.1Å |
| 158 | H | 87.2 | Confident | 83.4 | Confident | 159 Ų | 159 | 71.3 Ų | 71.3 | 74% | 0.736 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 36 | -179.2 | -55.3 | -72.5 | 0 | 0 | 0 | 113.2 | Q155 | Q155-H158 PolarHBondContact O-N 2.91Š|
| 159 | I | 89.9 | Confident | 86 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | trans | -85 | 162.9 | 168 | 62.5 | 173.9 | 0 | 0 | 0 | 109.6 | F154 L157 L163 V164 L167 I183 L208 | F154-I159 HydrophobicContact CB-CD1 4.15Å; F154-I159 HydrophobicContact CD1-CD1 4.26Å; L157-I159 HydrophobicContact CB-CG2 4.34Å; L157-I159 PolarHBondContact O-N 2.75Å; I159-L163 HydrophobicContact CD1-CB 4.31Å; I159-V164 HydrophobicContact CD1-CG2 4.05Å; I159-V164 HydrophobicContact CG1-CG2 3.81Å; I159-L167 HydrophobicContact CD1-CD1 4.32Å; I159-I183 HydrophobicContact CG2-CG2 4.29Å; I159-L208 HydrophobicContact CD1-CD1 4.46Å; I159-L208 HydrophobicContact CD1-CD2 4.42Å | ||
| 160 | C | 90.6 | Very high | 87.6 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | trans | -69.7 | 150.2 | -175.7 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | E162 L163 V164 H212 | C160-E162 VanDerWaalsContact C-N 3.3Å; C160-E162 WeakPolarHBondContact CB-OE2 3.46Å; C160-E162 PolarHBondContact O-N 3.32Å; C160-L163 WeakPolarHBondContact O-CB 3.48Å; C160-L163 PolarHBondContact O-N 2.83Å; C160-L163 VanDerWaalsContact O-N 3.09Å; C160-L163 VanDerWaalsContact SG-CD1 3.54Å; C160-L163 WeakPolarHBondContact SG-CG 3.32Å; C160-V164 PolarHBondContact O-N 3.02Å; C160-H212 PolarHBondContact N-ND1 2.85Å | ||
| 161 | E | 92.5 | Very high | 89 | Confident | 143 Ų | 143 | 67.1 Ų | 67.1 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.9 | -38.9 | -171.5 | -172.7 | 166.9 | -159.7 | 0 | 0 | 111.9 | L163 V164 E165 | E161-L163 PolarHBondContact O-N 2.9Å; E161-V164 WeakPolarHBondContact O-CA 3.23Å; E161-V164 WeakPolarHBondContact O-CB 3.34Å; E161-V164 PolarHBondContact O-N 2.73Å; E161-E165 HydrophobicContact CG-CG 4.49Å; E161-E165 WeakPolarHBondContact O-CG 3.38Å; E161-E165 PolarHBondContact O-N 2.77Å |
| 162 | E | 94 | Very high | 89.9 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -30.2 | 179.1 | -54.2 | 89.7 | 156.1 | 0 | 0 | 112.4 | C160 T166 P251 L252 | C160-E162 VanDerWaalsContact C-N 3.3Å; C160-E162 WeakPolarHBondContact CB-OE2 3.46Å; C160-E162 PolarHBondContact O-N 3.32Å; E162-T166 VanDerWaalsContact O-CB 3.31Å; E162-T166 WeakPolarHBondContact O-CB 3.48Å; E162-T166 PolarHBondContact O-N 3.15Å; E162-T166 VanDerWaalsContact O-N 3.1Å; E162-T166 PolarHBondContact O-OG1 3Å; E162-P251 HydrophobicContact CB-CB 4.28Å; E162-P251 HydrophobicContact CB-CG 4.47Å; E162-L252 HydrophobicContact CB-CD2 3.78Å; E162-L252 HydrophobicContact CG-CD2 3.97Å |
| 163 | L | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.8 | -39.2 | 173.8 | -72 | 176.5 | 0 | 0 | 0 | 111.4 | I159 C160 E161 T166 L167 L208 V211 H212 L248 L252 | I159-L163 HydrophobicContact CD1-CB 4.31Å; C160-L163 WeakPolarHBondContact O-CB 3.48Å; C160-L163 PolarHBondContact O-N 2.83Å; C160-L163 VanDerWaalsContact O-N 3.09Å; C160-L163 VanDerWaalsContact SG-CD1 3.54Å; C160-L163 WeakPolarHBondContact SG-CG 3.32Å; E161-L163 PolarHBondContact O-N 2.9Å; L163-T166 PolarHBondContact O-N 2.94Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.27Å; L163-L208 HydrophobicContact CB-CD2 4.44Å; L163-L208 HydrophobicContact CD1-CD2 4.42Å; L163-V211 HydrophobicContact CD1-CB 4.41Å; L163-V211 HydrophobicContact CD1-CG1 4.19Å; L163-V211 HydrophobicContact CD2-CB 4.5Å; L163-V211 HydrophobicContact CD2-CG1 3.8Å; L163-V211 HydrophobicContact CG-CG1 4.48Å; L163-H212 HydrophobicContact CD1-CB 3.98Å; L163-L248 HydrophobicContact CD2-CB 3.95Å; L163-L248 HydrophobicContact CD2-CD2 4.12Å; L163-L252 HydrophobicContact CD2-CD1 4.11Å; L163-L252 HydrophobicContact CG-CD1 4.19Å |
| 164 | V | 93.6 | Very high | 90.2 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 176.1 | 180 | 0 | 0 | 0 | 0 | 110.1 | F154 Q155 I159 C160 E161 T166 L167 E168 | F154-V164 HydrophobicContact CB-CG2 4.36Å; Q155-V164 HydrophobicContact CG-CG1 3.75Å; Q155-V164 HydrophobicContact CG-CG2 4.36Å; I159-V164 HydrophobicContact CD1-CG2 4.05Å; I159-V164 HydrophobicContact CG1-CG2 3.81Å; C160-V164 PolarHBondContact O-N 3.02Å; E161-V164 WeakPolarHBondContact O-CA 3.23Å; E161-V164 WeakPolarHBondContact O-CB 3.34Å; E161-V164 PolarHBondContact O-N 2.73Å; V164-T166 PolarHBondContact O-N 2.91Å; V164-L167 WeakPolarHBondContact O-CB 3.28Å; V164-L167 PolarHBondContact O-N 2.78Å; V164-L167 VanDerWaalsContact O-N 3.08Å; V164-E168 WeakPolarHBondContact O-CG 3.14Å; V164-E168 PolarHBondContact O-N 2.96Å |
| 165 | E | 93.8 | Very high | 90.3 | Very high | 94 Ų | 94 | 71.4 Ų | 71.4 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.1 | -35.7 | 176.1 | -68.3 | -179.3 | 171.1 | 0 | 0 | 112.3 | E161 R169 | E161-E165 HydrophobicContact CG-CG 4.49Å; E161-E165 WeakPolarHBondContact O-CG 3.38Å; E161-E165 PolarHBondContact O-N 2.77Å; E165-R169 VanDerWaalsContact O-CG 3.3Å; E165-R169 WeakPolarHBondContact O-CG 3.39Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 PolarHBondContact O-NE 2.85Å |
| 166 | T | 94.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | E162 L163 V164 R169 V170 T247 L248 | E162-T166 VanDerWaalsContact O-CB 3.31Å; E162-T166 WeakPolarHBondContact O-CB 3.48Å; E162-T166 PolarHBondContact O-N 3.15Å; E162-T166 VanDerWaalsContact O-N 3.1Å; E162-T166 PolarHBondContact O-OG1 3Å; L163-T166 PolarHBondContact O-N 2.94Å; V164-T166 PolarHBondContact O-N 2.91Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 2.85Å; T166-V170 WeakPolarHBondContact O-CG2 3.32Å; T166-V170 PolarHBondContact O-N 3.03Å; T166-T247 HydrophobicContact CG2-CG2 3.89Å; T166-L248 HydrophobicContact CG2-CD2 4.22Å |
| 167 | L | 92.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 175.8 | -70.8 | 171.3 | 0 | 0 | 0 | 111.7 | F154 I159 L163 V164 R169 V170 E171 I172 L204 L208 L248 | F154-L167 HydrophobicContact CB-CD1 4.18Å; F154-L167 HydrophobicContact CD1-CD1 3.57Å; F154-L167 HydrophobicContact CD2-CD1 3.84Å; F154-L167 HydrophobicContact CE1-CD1 3.81Å; F154-L167 HydrophobicContact CE2-CD1 4.06Å; F154-L167 HydrophobicContact CG-CD1 3.58Å; F154-L167 HydrophobicContact CZ-CD1 4.05Å; I159-L167 HydrophobicContact CD1-CD1 4.32Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.27Å; V164-L167 WeakPolarHBondContact O-CB 3.28Å; V164-L167 PolarHBondContact O-N 2.78Å; V164-L167 VanDerWaalsContact O-N 3.08Å; L167-R169 PolarHBondContact O-N 2.79Å; L167-V170 CarbonylContact O-C 3.45Å; L167-V170 VanDerWaalsContact O-CG2 3.3Å; L167-V170 WeakPolarHBondContact O-CG2 3.24Å; L167-V170 PolarHBondContact O-N 3.2Å; L167-E171 PolarHBondContact O-N 2.85Å; L167-I172 HydrophobicContact CB-CB 4.46Å; L167-I172 HydrophobicContact CD2-CB 4.19Å; L167-I172 HydrophobicContact CD2-CD1 4.44Å; L167-I172 HydrophobicContact CD2-CG2 4.19Å; L167-I172 PolarHBondContact O-N 2.83Å; L167-L204 HydrophobicContact CD2-CD1 4.03Å; L167-L204 HydrophobicContact CD2-CD2 4.34Å; L167-L208 HydrophobicContact CD1-CD1 3.93Å; L167-L208 HydrophobicContact CD1-CD2 3.88Å; L167-L208 HydrophobicContact CD2-CD2 4.31Å; L167-L208 HydrophobicContact CG-CD2 4.3Å; L167-L248 HydrophobicContact CD2-CD2 4.32Å |
| 168 | E | 91.1 | Very high | 90.7 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.2 | -71.9 | 177.4 | -179.2 | 0 | 0 | 111.9 | V164 V170 E171 | V164-E168 WeakPolarHBondContact O-CG 3.14Å; V164-E168 PolarHBondContact O-N 2.96Å; E168-V170 VanDerWaalsContact C-N 3.27Å; E168-V170 PolarHBondContact O-N 3.17Å; E168-E171 PolarHBondContact O-N 3.23Å |
| 169 | R | 91.9 | Very high | 91 | Very high | 167 Ų | 167 | 56.3 Ų | 56.3 | 63% | 0.63 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.4 | -29 | 176 | -76.1 | -178.1 | -67.5 | 170.7 | -1.5 | 114.1 | E165 T166 L167 E171 | E165-R169 VanDerWaalsContact O-CG 3.3Å; E165-R169 WeakPolarHBondContact O-CG 3.39Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 PolarHBondContact O-NE 2.85Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 2.85Å; L167-R169 PolarHBondContact O-N 2.79Å; R169-E171 VanDerWaalsContact C-N 3.3Å |
| 170 | V | 89.5 | Confident | 91.1 | Very high | 67 Ų | 67 | 58 Ų | 58 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 15.7 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | T166 L167 E168 I172 T247 | T166-V170 WeakPolarHBondContact O-CG2 3.32Å; T166-V170 PolarHBondContact O-N 3.03Å; L167-V170 CarbonylContact O-C 3.45Å; L167-V170 VanDerWaalsContact O-CG2 3.3Å; L167-V170 WeakPolarHBondContact O-CG2 3.24Å; L167-V170 PolarHBondContact O-N 3.2Å; E168-V170 VanDerWaalsContact C-N 3.27Å; E168-V170 PolarHBondContact O-N 3.17Å; V170-I172 HydrophobicContact CG2-CB 4.28Å; V170-I172 HydrophobicContact CG2-CD1 3.83Å; V170-I172 HydrophobicContact CG2-CG1 3.91Å; V170-I172 PolarHBondContact O-N 3.39Å; V170-T247 HydrophobicContact CG1-CG2 3.99Å |
| 171 | E | 89.1 | Confident | 91.2 | Very high | 174 Ų | 174 | 60.9 Ų | 60.9 | 81% | 0.813 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 23.1 | 175.7 | -53.2 | -177.3 | 146.4 | 0 | 0 | 114.3 | L167 E168 R169 T173 | L167-E171 PolarHBondContact O-N 2.85Å; E168-E171 PolarHBondContact O-N 3.23Å; R169-E171 VanDerWaalsContact C-N 3.3Å; E171-T173 PolarHBondContact O-N 2.99Å |
| 172 | I | 88.3 | Confident | 91.4 | Very high | 60 Ų | 60 | 54 Ų | 54 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | trans | -96.7 | 87 | 174.7 | -59.2 | 177 | 0 | 0 | 0 | 108.4 | F154 L167 V170 L204 | F154-I172 HydrophobicContact CE2-CG2 3.79Å; F154-I172 HydrophobicContact CZ-CG2 3.91Å; L167-I172 HydrophobicContact CB-CB 4.46Å; L167-I172 HydrophobicContact CD2-CB 4.19Å; L167-I172 HydrophobicContact CD2-CD1 4.44Å; L167-I172 HydrophobicContact CD2-CG2 4.19Å; L167-I172 PolarHBondContact O-N 2.83Å; V170-I172 HydrophobicContact CG2-CB 4.28Å; V170-I172 HydrophobicContact CG2-CD1 3.83Å; V170-I172 HydrophobicContact CG2-CG1 3.91Å; V170-I172 PolarHBondContact O-N 3.39Å; I172-L204 HydrophobicContact CD1-CD1 3.74Å; I172-L204 HydrophobicContact CG2-CD1 4.14Å | ||
| 173 | T | 83 | Confident | 91.5 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | trans | -89.8 | -26.7 | -170.6 | 50 | 0 | 0 | 0 | 0 | 114 | E171 | E171-T173 PolarHBondContact O-N 2.99Š| ||
| 174 | H | 87.4 | Confident | 91.5 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 44% | 0.44 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -128.7 | 134.4 | -173.5 | -61.5 | 81.4 | 0 | 0 | 0 | 112 | ||
| 175 | P | 90.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | trans | -70.9 | 143.7 | 174.8 | 30.2 | -35.6 | 0 | 0 | 0 | 111.9 | P152 F154 L157 Q179 L180 | P152-P175 WeakPolarHBondContact O-CD 3.16Å; F154-P175 HydrophobicContact CD1-CB 4.17Å; F154-P175 HydrophobicContact CE1-CB 3.74Å; F154-P175 HydrophobicContact CE2-CB 4.3Å; F154-P175 VanDerWaalsContact CZ-CA 3.49Å; F154-P175 HydrophobicContact CZ-CB 3.82Å; L157-P175 HydrophobicContact CD1-CB 4.26Å; P175-Q179 VanDerWaalsContact CA-OE1 3.22Å; P175-Q179 HydrophobicContact CB-CB 4.17Å; P175-L180 HydrophobicContact CB-CD2 3.9Å; P175-L180 HydrophobicContact CB-CG 4.03Å; P175-L180 HydrophobicContact CG-CD1 4.47Å; P175-L180 HydrophobicContact CG-CD2 3.46Å; P175-L180 VanDerWaalsContact CG-CD2 3.46Å; P175-L180 HydrophobicContact CG-CG 3.94Å | ||
| 176 | T | 89.6 | Confident | 91.8 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | trans | -75.5 | 163.3 | 172 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | F137 V178 Q179 L180 S200 | F137-T176 WeakPolarHBondContact O-CB 3.41Å; T176-V178 PolarHBondContact O-N 3.08Å; T176-V178 VanDerWaalsContact OG1-CG1 3.31Å; T176-V178 WeakPolarHBondContact OG1-CG1 3.3Å; T176-Q179 WeakPolarHBondContact O-CB 3.38Å; T176-Q179 PolarHBondContact O-N 3.24Å; T176-Q179 VanDerWaalsContact OG1-CD 3.25Å; T176-Q179 VanDerWaalsContact OG1-CG 3.25Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.33Å; T176-Q179 PolarHBondContact OG1-N 3.38Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 2.9Å; T176-S200 VanDerWaalsContact CB-O 3.29Å; T176-S200 WeakPolarHBondContact CB-O 3.41Å; T176-S200 WeakPolarHBondContact CG2-O 3.47Å; T176-S200 PolarHBondContact OG1-O 3.19Å | ||
| 177 | V | 89 | Confident | 91.8 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.6 | -40.5 | 179.1 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | F137 Q181 | F137-V177 PolarHBondContact O-N 3.29Å; V177-Q181 WeakPolarHBondContact O-CG 3.33Å; V177-Q181 PolarHBondContact O-N 3.24Å |
| 178 | V | 90.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 178.3 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | T176 Q181 T182 C194 A196 S200 | T176-V178 PolarHBondContact O-N 3.08Å; T176-V178 VanDerWaalsContact OG1-CG1 3.31Å; T176-V178 WeakPolarHBondContact OG1-CG1 3.3Å; V178-Q181 PolarHBondContact O-N 2.93Å; V178-T182 VanDerWaalsContact O-CB 3.22Å; V178-T182 WeakPolarHBondContact O-CB 3.47Å; V178-T182 PolarHBondContact O-N 3.14Å; V178-T182 PolarHBondContact O-OG1 2.58Å; V178-T182 VanDerWaalsContact O-OG1 3.06Å; V178-C194 WeakPolarHBondContact CG2-SG 3.34Å; V178-A196 HydrophobicContact CB-CB 4.15Å; V178-A196 HydrophobicContact CG2-CB 3.75Å; V178-S200 WeakPolarHBondContact CG1-O 3.5Å |
| 179 | Q | 94 | Very high | 92 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 176.3 | -71.3 | 164.6 | 3.7 | 0 | 0 | 110.8 | P175 T176 Q181 T182 I183 G201 S205 | P175-Q179 VanDerWaalsContact CA-OE1 3.22Å; P175-Q179 HydrophobicContact CB-CB 4.17Å; T176-Q179 WeakPolarHBondContact O-CB 3.38Å; T176-Q179 PolarHBondContact O-N 3.24Å; T176-Q179 VanDerWaalsContact OG1-CD 3.25Å; T176-Q179 VanDerWaalsContact OG1-CG 3.25Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.33Å; T176-Q179 PolarHBondContact OG1-N 3.38Å; Q179-Q181 PolarHBondContact O-N 3.07Å; Q179-T182 PolarHBondContact O-N 3.48Å; Q179-I183 HydrophobicContact CB-CD1 3.86Å; Q179-I183 HydrophobicContact CG-CD1 4.42Å; Q179-I183 VanDerWaalsContact O-CB 3.31Å; Q179-I183 WeakPolarHBondContact O-CB 3.37Å; Q179-I183 VanDerWaalsContact O-CG1 3.23Å; Q179-I183 WeakPolarHBondContact O-CG1 3.44Å; Q179-I183 PolarHBondContact O-N 2.89Å; Q179-G201 PolarHBondContact NE2-O 3.13Å; Q179-S205 WeakPolarHBondContact CG-OG 3.49Å |
| 180 | L | 92.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.1 | -35.7 | 176.1 | -69.4 | 173.7 | 0 | 0 | 0 | 113.1 | P152 L157 P175 T176 P184 | P152-L180 HydrophobicContact CB-CD1 4.25Å; P152-L180 HydrophobicContact CB-CD2 3.94Å; P152-L180 HydrophobicContact CG-CD1 3.62Å; P152-L180 HydrophobicContact CG-CD2 4.2Å; L157-L180 HydrophobicContact CD1-CD2 4.5Å; L157-L180 HydrophobicContact CD2-CD2 3.99Å; L157-L180 HydrophobicContact CG-CD2 4.49Å; P175-L180 HydrophobicContact CB-CD2 3.9Å; P175-L180 HydrophobicContact CB-CG 4.03Å; P175-L180 HydrophobicContact CG-CD1 4.47Å; P175-L180 HydrophobicContact CG-CD2 3.46Å; P175-L180 VanDerWaalsContact CG-CD2 3.46Å; P175-L180 HydrophobicContact CG-CG 3.94Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 2.9Å; L180-P184 VanDerWaalsContact O-CD 3.23Å; L180-P184 WeakPolarHBondContact O-CD 3.14Å; L180-P184 WeakPolarHBondContact O-CG 3.45Å |
| 181 | Q | 92.7 | Very high | 92.5 | Very high | 77 Ų | 77 | 44 Ų | 44 | 36% | 0.36 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -83.2 | -36.9 | -178.7 | -70.4 | 179.4 | -14.5 | 0 | 0 | 113.1 | V177 V178 Q179 K185 V373 | V177-Q181 WeakPolarHBondContact O-CG 3.33Å; V177-Q181 PolarHBondContact O-N 3.24Å; V178-Q181 PolarHBondContact O-N 2.93Å; Q179-Q181 PolarHBondContact O-N 3.07Å; Q181-K185 VanDerWaalsContact O-CD 3.29Å; Q181-K185 WeakPolarHBondContact O-CD 3.23Å; Q181-V373 HydrophobicContact CB-CG1 3.76Å |
| 182 | T | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -85.8 | -47.4 | -172.1 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | V178 Q179 K185 V186 I192 C194 | V178-T182 VanDerWaalsContact O-CB 3.22Å; V178-T182 WeakPolarHBondContact O-CB 3.47Å; V178-T182 PolarHBondContact O-N 3.14Å; V178-T182 PolarHBondContact O-OG1 2.58Å; V178-T182 VanDerWaalsContact O-OG1 3.06Å; Q179-T182 PolarHBondContact O-N 3.48Å; T182-K185 PolarHBondContact O-N 3.11Å; T182-V186 HydrophobicContact CG2-CG2 3.8Å; T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 2.8Å; T182-I192 HydrophobicContact CG2-CG2 4.34Å; T182-C194 PolarHBondContact OG1-SG 3.23Å |
| 183 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -54.7 | -49.9 | -171.9 | -66.5 | 170.4 | 0 | 0 | 0 | 111.8 | L157 I159 Q179 K185 V186 M187 S205 L208 P209 | L157-I183 HydrophobicContact CB-CG2 4.43Å; L157-I183 HydrophobicContact CD1-CB 4.45Å; L157-I183 HydrophobicContact CD1-CD1 3.75Å; L157-I183 HydrophobicContact CD1-CG2 4.38Å; I159-I183 HydrophobicContact CG2-CG2 4.29Å; Q179-I183 HydrophobicContact CB-CD1 3.86Å; Q179-I183 HydrophobicContact CG-CD1 4.42Å; Q179-I183 VanDerWaalsContact O-CB 3.31Å; Q179-I183 WeakPolarHBondContact O-CB 3.37Å; Q179-I183 VanDerWaalsContact O-CG1 3.23Å; Q179-I183 WeakPolarHBondContact O-CG1 3.44Å; Q179-I183 PolarHBondContact O-N 2.89Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.93Å; I183-V186 PolarHBondContact O-N 3Å; I183-M187 HydrophobicContact CG2-CG 4.29Å; I183-M187 VanDerWaalsContact O-CG 3.27Å; I183-M187 WeakPolarHBondContact O-CG 3.37Å; I183-M187 PolarHBondContact O-N 3.46Å; I183-S205 WeakPolarHBondContact CG1-O 3.3Å; I183-L208 HydrophobicContact CD1-CB 4.39Å; I183-L208 HydrophobicContact CD1-CD1 3.95Å; I183-P209 HydrophobicContact CG1-CG 4.35Å; I183-P209 HydrophobicContact CG2-CB 4.26Å; I183-P209 HydrophobicContact CG2-CG 4.37Å |
| 184 | P | 95.4 | Very high | 93.7 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 29% | 0.286 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.9 | -27.3 | 180 | -23.7 | 35.6 | 0 | 0 | 0 | 114.3 | L157 L180 R188 | L157-P184 HydrophobicContact CD2-CG 4.1Å; L180-P184 VanDerWaalsContact O-CD 3.23Å; L180-P184 WeakPolarHBondContact O-CD 3.14Å; L180-P184 WeakPolarHBondContact O-CG 3.45Å; P184-R188 WeakPolarHBondContact O-CG 3.38Å; P184-R188 PolarHBondContact O-N 3.23Å; P184-R188 PolarHBondContact O-NE 3.4Å |
| 185 | K | 95.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 24.8 Ų | 24.8 | 22% | 0.217 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -77.6 | -39.6 | 178.1 | -64.2 | 172.1 | 177 | 170.8 | 0 | 111 | Q181 T182 I183 R188 H190 I192 V371 V373 | Q181-K185 VanDerWaalsContact O-CD 3.29Å; Q181-K185 WeakPolarHBondContact O-CD 3.23Å; T182-K185 PolarHBondContact O-N 3.11Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.93Å; K185-R188 PolarHBondContact O-N 3.49Å; K185-H190 PolarHBondContact O-CD2 2.87Å; K185-H190 PolarHBondContact O-N 2.74Å; K185-I192 HydrophobicContact CB-CD1 3.61Å; K185-V371 HydrophobicContact CD-CG1 3.81Å; K185-V373 HydrophobicContact CD-CG2 3.71Å |
| 186 | V | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 173.1 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | T182 I183 R188 G189 I192 P209 Q345 L347 | T182-V186 HydrophobicContact CG2-CG2 3.8Å; T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 2.8Å; I183-V186 PolarHBondContact O-N 3Å; V186-R188 PolarHBondContact O-N 3.43Å; V186-G189 PolarHBondContact O-N 3.43Å; V186-I192 HydrophobicContact CG2-CG1 3.79Å; V186-P209 HydrophobicContact CB-CB 3.89Å; V186-P209 HydrophobicContact CB-CG 3.74Å; V186-P209 HydrophobicContact CG1-CB 3.68Å; V186-P209 HydrophobicContact CG1-CG 3.62Å; V186-P209 HydrophobicContact CG2-CG 4.24Å; V186-Q345 PolarHBondContact O-NE2 2.91Å; V186-Q345 PolarHBondContact O-OE1 3.09Å; V186-L347 HydrophobicContact CG1-CD1 3.79Å; V186-L347 HydrophobicContact CG1-CD2 4.13Å; V186-L347 HydrophobicContact CG2-CD1 4.22Å; V186-L347 HydrophobicContact CG2-CD2 3.89Å |
| 187 | M | 94.4 | Very high | 93.7 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 17% | 0.172 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.8 | -33.6 | 177.1 | -72.9 | -61.9 | -73.4 | 0 | 0 | 113.2 | I183 G189 P209 H212 R213 R338 | I183-M187 HydrophobicContact CG2-CG 4.29Å; I183-M187 VanDerWaalsContact O-CG 3.27Å; I183-M187 WeakPolarHBondContact O-CG 3.37Å; I183-M187 PolarHBondContact O-N 3.46Å; M187-G189 VanDerWaalsContact C-N 3.26Å; M187-G189 PolarHBondContact O-N 3.14Å; M187-P209 HydrophobicContact CG-CB 3.86Å; M187-P209 HydrophobicContact SD-CB 3.66Å; M187-H212 WeakPolarHBondContact CE-CD2 3.19Å; M187-H212 WeakPolarHBondContact CE-NE2 3.49Å; M187-R213 HydrophobicContact SD-CG 4.08Å; M187-R338 PolarHBondContact O-NH2 3.5Å |
| 188 | R | 94.3 | Very high | 93.4 | Very high | 126 Ų | 126 | 23 Ų | 23 | 48% | 0.475 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -3.1 | 176.2 | -79.6 | -179.3 | -80.2 | 133.9 | -18.3 | 114.9 | P184 K185 V186 H190 | P184-R188 WeakPolarHBondContact O-CG 3.38Å; P184-R188 PolarHBondContact O-N 3.23Å; P184-R188 PolarHBondContact O-NE 3.4Å; K185-R188 PolarHBondContact O-N 3.49Å; V186-R188 PolarHBondContact O-N 3.43Å; R188-H190 PolarHBondContact NH1-NE2 3.02Å; R188-H190 VanDerWaalsContact NH1-NE2 3.18Å |
| 189 | G | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 7.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | V186 M187 P334 T337 Q345 | V186-G189 PolarHBondContact O-N 3.43Å; M187-G189 VanDerWaalsContact C-N 3.26Å; M187-G189 PolarHBondContact O-N 3.14Å; G189-P334 WeakPolarHBondContact O-CA 3.46Å; G189-T337 WeakPolarHBondContact CA-OG1 3.41Å; G189-T337 WeakPolarHBondContact O-CG2 3.31Å; G189-Q345 VanDerWaalsContact C-NE2 3.29Å |
| 190 | H | 95.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 21% | 0.208 | 11% | 0.11 | C | C | . | . | trans | -70.6 | 138.4 | 178.6 | -64.9 | -72.6 | 0 | 0 | 0 | 111.8 | K185 R188 I192 P334 Q345 V371 | K185-H190 PolarHBondContact O-CD2 2.87Å; K185-H190 PolarHBondContact O-N 2.74Å; R188-H190 PolarHBondContact NH1-NE2 3.02Å; R188-H190 VanDerWaalsContact NH1-NE2 3.18Å; H190-I192 HydrophobicContact CB-CD1 3.86Å; H190-I192 WeakPolarHBondContact O-CG1 3.4Å; H190-P334 WeakPolarHBondContact ND1-CG 3.42Å; H190-Q345 PolarHBondContact O-NE2 3.33Å; H190-V371 HydrophobicContact CB-CB 4.35Å; H190-V371 HydrophobicContact CB-CG2 3.84Å | ||
| 191 | N | 96 | Very high | 91.9 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | trans | -64.3 | 136.1 | 161.1 | -66.8 | -23.5 | 0 | 0 | 0 | 109 | A331 L346 I370 V371 | N191-A331 PolarHBondContact ND2-O 3.44Å; N191-L346 CarbonylContact C-O 3.53Å; N191-L346 VanDerWaalsContact CA-O 3.22Å; N191-L346 WeakPolarHBondContact CA-O 3.27Å; N191-L346 HydrophobicContact CB-CB 4.46Å; N191-L346 PolarHBondContact OD1-N 3.4Å; N191-I370 HydrophobicContact CB-CG1 4.31Å; N191-V371 PolarHBondContact O-N 3.32Å | ||
| 192 | I | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.5 | -172.4 | -55.8 | -57.6 | 0 | 0 | 0 | 110.6 | T182 K185 V186 H190 C194 L346 L347 L348 V371 V373 | T182-I192 HydrophobicContact CG2-CG2 4.34Å; K185-I192 HydrophobicContact CB-CD1 3.61Å; V186-I192 HydrophobicContact CG2-CG1 3.79Å; H190-I192 HydrophobicContact CB-CD1 3.86Å; H190-I192 WeakPolarHBondContact O-CG1 3.4Å; I192-C194 HydrophobicContact CG2-CB 3.98Å; I192-L346 PolarHBondContact N-O 3.25Å; I192-L347 HydrophobicContact CB-CD2 3.81Å; I192-L347 HydrophobicContact CG1-CD2 3.66Å; I192-L348 PolarHBondContact O-N 3.21Å; I192-V371 WeakPolarHBondContact CA-O 3.31Å; I192-V371 HydrophobicContact CD1-CB 4.04Å; I192-V371 HydrophobicContact CD1-CG1 4.49Å; I192-V373 HydrophobicContact CG2-CG2 4.09Å |
| 193 | L | 94.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 110.9 | 154.3 | -171.6 | 161.3 | 0 | 0 | 0 | 108.2 | A195 L348 F353 V357 I370 V371 T372 V373 I549 | L193-A195 HydrophobicContact CD2-CB 4.18Å; L193-L348 CarbonylContact C-O 3.53Å; L193-L348 WeakPolarHBondContact CA-O 3.26Å; L193-L348 HydrophobicContact CG-CB 4.38Å; L193-F353 HydrophobicContact CD1-CD1 4.5Å; L193-F353 HydrophobicContact CD1-CE1 4.44Å; L193-F353 HydrophobicContact CD2-CD1 3.9Å; L193-F353 HydrophobicContact CD2-CE1 3.48Å; L193-F353 VanDerWaalsContact CD2-CE1 3.48Å; L193-F353 HydrophobicContact CD2-CZ 4.07Å; L193-V357 HydrophobicContact CD1-CG1 4.26Å; L193-I370 HydrophobicContact CB-CG2 3.87Å; L193-V371 PolarHBondContact N-O 3.11Å; L193-T372 HydrophobicContact CD2-CG2 4.42Å; L193-T372 CarbonylContact O-C 3.49Å; L193-T372 WeakPolarHBondContact O-CA 3.39Å; L193-V373 PolarHBondContact O-N 3.18Å; L193-I549 HydrophobicContact CD1-CD1 3.64Å; L193-I549 HydrophobicContact CD1-CG1 3.66Å |
| 194 | C | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.4 | 178.8 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | V178 T182 I192 L348 I349 G350 V373 | V178-C194 WeakPolarHBondContact CG2-SG 3.34Å; T182-C194 PolarHBondContact OG1-SG 3.23Å; I192-C194 HydrophobicContact CG2-CB 3.98Å; C194-L348 PolarHBondContact N-O 3.41Å; C194-I349 HydrophobicContact CB-CD1 3.62Å; C194-G350 PolarHBondContact O-N 3.34Å; C194-V373 CarbonylContact C-O 3.48Å; C194-V373 WeakPolarHBondContact CA-O 3.22Å |
| 195 | A | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 109 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L193 F353 V373 K374 S375 L378 | L193-A195 HydrophobicContact CD2-CB 4.18Å; A195-F353 HydrophobicContact CB-CD2 3.71Å; A195-F353 HydrophobicContact CB-CE1 4.47Å; A195-F353 HydrophobicContact CB-CE2 3.48Å; A195-F353 VanDerWaalsContact CB-CE2 3.48Å; A195-F353 HydrophobicContact CB-CG 4.28Å; A195-F353 HydrophobicContact CB-CZ 3.9Å; A195-V373 PolarHBondContact N-O 3.38Å; A195-K374 WeakPolarHBondContact O-CA 3.31Å; A195-S375 PolarHBondContact O-N 3.23Å; A195-L378 HydrophobicContact CB-CD1 4.16Å; A195-L378 HydrophobicContact CB-CD2 3.6Å |
| 196 | A | 89.7 | Confident | 91.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -146.9 | 146.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V178 K202 G350 A351 | V178-A196 HydrophobicContact CB-CB 4.15Å; V178-A196 HydrophobicContact CG2-CB 3.75Å; A196-K202 HydrophobicContact CB-CD 4.29Å; A196-K202 HydrophobicContact CB-CG 4.33Å; A196-K202 WeakPolarHBondContact O-CD 3.42Å; A196-K202 PolarHBondContact O-NZ 2.9Å; A196-G350 PolarHBondContact N-O 2.96Å; A196-G350 VanDerWaalsContact O-O 3.13Å; A196-A351 VanDerWaalsContact O-CA 3.29Å; A196-A351 WeakPolarHBondContact O-CA 3.32Å | ||
| 197 | E | 85.9 | Confident | 91.8 | Very high | 23 Ų | 23 | 17.2 Ų | 17.2 | 11% | 0.107 | 9% | 0.088 | C | C | . | . | trans | -55.3 | 156.2 | -175.1 | 64.3 | -85.5 | -161.9 | 0 | 0 | 113.4 | F137 S200 K202 S375 | F137-E197 HydrophobicContact CD1-CG 4.03Å; E197-S200 VanDerWaalsContact O-CB 3.29Å; E197-S200 WeakPolarHBondContact O-CB 3.33Å; E197-S200 PolarHBondContact O-N 3.07Å; E197-S200 PolarHBondContact O-OG 3.05Å; E197-K202 PolarHBondContact O-NZ 2.9Å; E197-K202 VanDerWaalsContact O-NZ 3.1Å; E197-S375 WeakPolarHBondContact OE2-CB 3.33Å; E197-S375 PolarHBondContact OE2-OG 3.21Å | ||
| 198 | T | 82.3 | Confident | 91.9 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 7% | 0.067 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 138.6 | 174.7 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | S200 G503 | T198-S200 VanDerWaalsContact C-N 3.34Å; T198-G503 VanDerWaalsContact CG2-O 3.28Å; T198-G503 WeakPolarHBondContact CG2-O 2.96Å |
| 199 | G | 77.5 | Confident | 92 | Very high | 8 Ų | 8 | 9.5 Ų | 9.5 | 8% | 0.082 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -4.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G201 | G199-G201 PolarHBondContact O-N 3.03Å; G199-G201 VanDerWaalsContact O-N 3.13Å |
| 200 | S | 82.9 | Confident | 92.1 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.007 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -72 | 2.3 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 115.6 | T176 V178 E197 T198 K202 | T176-S200 VanDerWaalsContact CB-O 3.29Å; T176-S200 WeakPolarHBondContact CB-O 3.41Å; T176-S200 WeakPolarHBondContact CG2-O 3.47Å; T176-S200 PolarHBondContact OG1-O 3.19Å; V178-S200 WeakPolarHBondContact CG1-O 3.5Å; E197-S200 VanDerWaalsContact O-CB 3.29Å; E197-S200 WeakPolarHBondContact O-CB 3.33Å; E197-S200 PolarHBondContact O-N 3.07Å; E197-S200 PolarHBondContact O-OG 3.05Å; T198-S200 VanDerWaalsContact C-N 3.34Å; S200-K202 WeakPolarHBondContact OG-CG 3.15Å |
| 201 | G | 86.8 | Confident | 92.1 | Very high | 25 Ų | 25 | 7.5 Ų | 7.5 | 26% | 0.258 | 5% | 0.048 | S | C | . | . | trans | 81.3 | 26 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q179 G199 T203 L204 S205 | Q179-G201 PolarHBondContact NE2-O 3.13Å; G199-G201 PolarHBondContact O-N 3.03Å; G199-G201 VanDerWaalsContact O-N 3.13Å; G201-T203 VanDerWaalsContact C-N 3.26Å; G201-T203 PolarHBondContact O-N 2.81Å; G201-L204 PolarHBondContact O-N 3.05Å; G201-S205 PolarHBondContact O-N 2.99Å; G201-S205 PolarHBondContact O-OG 2.94Å | ||
| 202 | K | 91.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 8.8 Ų | 8.8 | 7% | 0.065 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -50.9 | -38.6 | -178.6 | -65.4 | -166.8 | -71.6 | -86.7 | 0 | 114.7 | A196 E197 S200 L204 S205 Y206 I349 G350 | A196-K202 HydrophobicContact CB-CD 4.29Å; A196-K202 HydrophobicContact CB-CG 4.33Å; A196-K202 WeakPolarHBondContact O-CD 3.42Å; A196-K202 PolarHBondContact O-NZ 2.9Å; E197-K202 PolarHBondContact O-NZ 2.9Å; E197-K202 VanDerWaalsContact O-NZ 3.1Å; S200-K202 WeakPolarHBondContact OG-CG 3.15Å; K202-L204 PolarHBondContact O-N 3.49Å; K202-S205 WeakPolarHBondContact O-CB 3.13Å; K202-S205 PolarHBondContact O-N 3.19Å; K202-Y206 VanDerWaalsContact O-CD1 3.28Å; K202-Y206 WeakPolarHBondContact O-CD1 3.42Å; K202-I349 HydrophobicContact CB-CG2 3.68Å; K202-I349 HydrophobicContact CD-CG2 3.77Å; K202-I349 HydrophobicContact CG-CG2 4.2Å; K202-G350 WeakPolarHBondContact CD-O 3.5Å |
| 203 | T | 94 | Very high | 91.9 | Very high | 41 Ų | 41 | 9.6 Ų | 9.6 | 25% | 0.252 | 6% | 0.057 | S | C | . | . | H | α-helix | trans | -58.1 | -45.2 | -178.4 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | G201 S205 Y206 L207 V241 V244 | G201-T203 VanDerWaalsContact C-N 3.26Å; G201-T203 PolarHBondContact O-N 2.81Å; T203-S205 VanDerWaalsContact C-N 3.31Å; T203-S205 PolarHBondContact O-N 2.8Å; T203-Y206 VanDerWaalsContact CA-CE1 3.5Å; T203-Y206 HydrophobicContact CG2-CE1 4.49Å; T203-L207 HydrophobicContact CG2-CD1 3.68Å; T203-L207 HydrophobicContact CG2-CG 4.31Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 WeakPolarHBondContact O-CG 3.36Å; T203-L207 PolarHBondContact O-N 3.42Å; T203-V241 HydrophobicContact CG2-CG2 4.34Å; T203-V244 HydrophobicContact CG2-CG1 4.39Å |
| 204 | L | 94.9 | Very high | 91.8 | Very high | 18 Ų | 18 | 9.4 Ų | 9.4 | 9% | 0.094 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -72.3 | -26.2 | 176.8 | -66.6 | 178.4 | 0 | 0 | 0 | 112.6 | L167 I172 G201 K202 Y206 L208 V244 L248 | L167-L204 HydrophobicContact CD2-CD1 4.03Å; L167-L204 HydrophobicContact CD2-CD2 4.34Å; I172-L204 HydrophobicContact CD1-CD1 3.74Å; I172-L204 HydrophobicContact CG2-CD1 4.14Å; G201-L204 PolarHBondContact O-N 3.05Å; K202-L204 PolarHBondContact O-N 3.49Å; L204-Y206 PolarHBondContact O-N 2.87Å; L204-L208 HydrophobicContact CB-CD1 4.07Å; L204-L208 HydrophobicContact CB-CG 4.31Å; L204-L208 HydrophobicContact CD2-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 2.86Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.3Å; L204-V244 HydrophobicContact CD2-CG1 3.87Å; L204-L248 HydrophobicContact CD2-CD1 3.9Å |
| 205 | S | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.2 | -29.6 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | Q179 I183 G201 K202 T203 P209 | Q179-S205 WeakPolarHBondContact CG-OG 3.49Å; I183-S205 WeakPolarHBondContact CG1-O 3.3Å; G201-S205 PolarHBondContact O-N 2.99Å; G201-S205 PolarHBondContact O-OG 2.94Å; K202-S205 WeakPolarHBondContact O-CB 3.13Å; K202-S205 PolarHBondContact O-N 3.19Å; T203-S205 VanDerWaalsContact C-N 3.31Å; T203-S205 PolarHBondContact O-N 2.8Å; S205-P209 WeakPolarHBondContact O-CG 3.21Å |
| 206 | Y | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -104.1 | -37.5 | 174.8 | 69.1 | -102.5 | 0 | 0 | 0 | 113.1 | K202 T203 L204 L208 P209 V210 V230 V241 V305 D307 I349 | K202-Y206 VanDerWaalsContact O-CD1 3.28Å; K202-Y206 WeakPolarHBondContact O-CD1 3.42Å; T203-Y206 VanDerWaalsContact CA-CE1 3.5Å; T203-Y206 HydrophobicContact CG2-CE1 4.49Å; L204-Y206 PolarHBondContact O-N 2.87Å; Y206-L208 PolarHBondContact O-N 3.23Å; Y206-P209 WeakPolarHBondContact O-CD 3.41Å; Y206-P209 WeakPolarHBondContact O-CG 3.47Å; Y206-V210 WeakPolarHBondContact O-CB 3.5Å; Y206-V210 WeakPolarHBondContact O-CG2 3.4Å; Y206-V210 PolarHBondContact O-N 2.96Å; Y206-V210 VanDerWaalsContact O-N 3.17Å; Y206-V230 HydrophobicContact CE2-CG1 4.04Å; Y206-V230 HydrophobicContact CE2-CG2 4.1Å; Y206-V241 WeakPolarHBondContact OH-CG1 3.5Å; Y206-V305 HydrophobicContact CD1-CG1 4.08Å; Y206-V305 HydrophobicContact CD2-CB 4.36Å; Y206-V305 HydrophobicContact CD2-CG1 3.77Å; Y206-V305 HydrophobicContact CD2-CG2 3.95Å; Y206-V305 HydrophobicContact CE1-CG1 4.16Å; Y206-V305 HydrophobicContact CE2-CG1 3.91Å; Y206-V305 HydrophobicContact CE2-CG2 4.47Å; Y206-V305 HydrophobicContact CG-CG1 3.86Å; Y206-V305 HydrophobicContact CG-CG2 4.49Å; Y206-D307 HydrophobicContact CE1-CB 4.43Å; Y206-D307 WeakPolarHBondContact CE1-OD2 3.42Å; Y206-D307 PolarHBondContact OH-OD2 3.36Å; Y206-I349 HydrophobicContact CD1-CB 4.48Å; Y206-I349 HydrophobicContact CD1-CD1 4.32Å; Y206-I349 HydrophobicContact CD1-CG1 3.77Å; Y206-I349 HydrophobicContact CD1-CG2 4.3Å; Y206-I349 HydrophobicContact CE1-CG1 4.35Å; Y206-I349 HydrophobicContact CE1-CG2 4.45Å; Y206-I349 HydrophobicContact CG-CG1 4.43Å |
| 207 | L | 97.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | -176.7 | -76.2 | -178.5 | 0 | 0 | 0 | 112.6 | T203 V210 V211 V244 L248 | T203-L207 HydrophobicContact CG2-CD1 3.68Å; T203-L207 HydrophobicContact CG2-CG 4.31Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 WeakPolarHBondContact O-CG 3.36Å; T203-L207 PolarHBondContact O-N 3.42Å; L207-V210 PolarHBondContact O-N 3.24Å; L207-V211 WeakPolarHBondContact O-CB 3.45Å; L207-V211 WeakPolarHBondContact O-CG2 3.16Å; L207-V211 PolarHBondContact O-N 2.83Å; L207-V244 HydrophobicContact CD1-CB 4.14Å; L207-V244 HydrophobicContact CD1-CG1 3.75Å; L207-L248 HydrophobicContact CB-CD1 3.81Å; L207-L248 HydrophobicContact CD1-CD1 4.25Å |
| 208 | L | 97.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.8 | -54.8 | -178.8 | -68.6 | 172.4 | 0 | 0 | 0 | 112.8 | F154 I159 L163 L167 I183 L204 Y206 V210 V211 H212 L248 | F154-L208 HydrophobicContact CD1-CD1 3.99Å; F154-L208 HydrophobicContact CE1-CD1 3.66Å; I159-L208 HydrophobicContact CD1-CD1 4.46Å; I159-L208 HydrophobicContact CD1-CD2 4.42Å; L163-L208 HydrophobicContact CB-CD2 4.44Å; L163-L208 HydrophobicContact CD1-CD2 4.42Å; L167-L208 HydrophobicContact CD1-CD1 3.93Å; L167-L208 HydrophobicContact CD1-CD2 3.88Å; L167-L208 HydrophobicContact CD2-CD2 4.31Å; L167-L208 HydrophobicContact CG-CD2 4.3Å; I183-L208 HydrophobicContact CD1-CB 4.39Å; I183-L208 HydrophobicContact CD1-CD1 3.95Å; L204-L208 HydrophobicContact CB-CD1 4.07Å; L204-L208 HydrophobicContact CB-CG 4.31Å; L204-L208 HydrophobicContact CD2-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 2.86Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.3Å; Y206-L208 PolarHBondContact O-N 3.23Å; L208-V210 VanDerWaalsContact C-N 3.34Å; L208-V210 PolarHBondContact O-N 2.76Å; L208-V211 PolarHBondContact O-N 2.93Å; L208-H212 VanDerWaalsContact O-CB 3.3Å; L208-H212 WeakPolarHBondContact O-CB 3.41Å; L208-H212 PolarHBondContact O-N 3.37Å; L208-L248 HydrophobicContact CD2-CD1 4.16Å; L208-L248 HydrophobicContact CD2-CD2 3.98Å |
| 209 | P | 96.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.3 | -31.3 | 179.2 | 26.4 | -35.6 | 0 | 0 | 0 | 112.9 | I183 V186 M187 S205 Y206 R213 | I183-P209 HydrophobicContact CG1-CG 4.35Å; I183-P209 HydrophobicContact CG2-CB 4.26Å; I183-P209 HydrophobicContact CG2-CG 4.37Å; V186-P209 HydrophobicContact CB-CB 3.89Å; V186-P209 HydrophobicContact CB-CG 3.74Å; V186-P209 HydrophobicContact CG1-CB 3.68Å; V186-P209 HydrophobicContact CG1-CG 3.62Å; V186-P209 HydrophobicContact CG2-CG 4.24Å; M187-P209 HydrophobicContact CG-CB 3.86Å; M187-P209 HydrophobicContact SD-CB 3.66Å; S205-P209 WeakPolarHBondContact O-CG 3.21Å; Y206-P209 WeakPolarHBondContact O-CD 3.41Å; Y206-P209 WeakPolarHBondContact O-CG 3.47Å; P209-R213 WeakPolarHBondContact O-CB 3.27Å; P209-R213 WeakPolarHBondContact O-CG 3.3Å; P209-R213 PolarHBondContact O-N 3.2Å |
| 210 | V | 96.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -54.7 | 174.2 | 167.5 | 0 | 0 | 0 | 0 | 110.2 | Y206 L207 L208 H212 R213 L214 A228 F303 L347 | Y206-V210 WeakPolarHBondContact O-CB 3.5Å; Y206-V210 WeakPolarHBondContact O-CG2 3.4Å; Y206-V210 PolarHBondContact O-N 2.96Å; Y206-V210 VanDerWaalsContact O-N 3.17Å; L207-V210 PolarHBondContact O-N 3.24Å; L208-V210 VanDerWaalsContact C-N 3.34Å; L208-V210 PolarHBondContact O-N 2.76Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 3.03Å; V210-R213 PolarHBondContact O-N 2.72Å; V210-L214 HydrophobicContact CG1-CD1 4.08Å; V210-L214 HydrophobicContact CG1-CG 4.38Å; V210-L214 VanDerWaalsContact O-CG 3.32Å; V210-L214 WeakPolarHBondContact O-CG 3.12Å; V210-L214 PolarHBondContact O-N 3.48Å; V210-A228 HydrophobicContact CG1-CB 3.74Å; V210-F303 HydrophobicContact CB-CD2 4.49Å; V210-F303 HydrophobicContact CB-CG 4.49Å; V210-F303 HydrophobicContact CG1-CB 4.49Å; V210-F303 HydrophobicContact CG1-CD2 3.95Å; V210-F303 HydrophobicContact CG1-CE2 4.4Å; V210-F303 HydrophobicContact CG1-CG 4.19Å; V210-F303 HydrophobicContact CG2-CB 4.19Å; V210-F303 HydrophobicContact CG2-CD1 3.73Å; V210-F303 HydrophobicContact CG2-CD2 4.27Å; V210-F303 HydrophobicContact CG2-CE1 4.12Å; V210-F303 HydrophobicContact CG2-CG 3.8Å; V210-L347 HydrophobicContact CG2-CD1 4.11Å |
| 211 | V | 96.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | -178 | 172.6 | 0 | 0 | 0 | 0 | 111 | L163 L207 L208 R213 L214 Q215 L248 L252 L254 I279 | L163-V211 HydrophobicContact CD1-CB 4.41Å; L163-V211 HydrophobicContact CD1-CG1 4.19Å; L163-V211 HydrophobicContact CD2-CB 4.5Å; L163-V211 HydrophobicContact CD2-CG1 3.8Å; L163-V211 HydrophobicContact CG-CG1 4.48Å; L207-V211 WeakPolarHBondContact O-CB 3.45Å; L207-V211 WeakPolarHBondContact O-CG2 3.16Å; L207-V211 PolarHBondContact O-N 2.83Å; L208-V211 PolarHBondContact O-N 2.93Å; V211-R213 PolarHBondContact O-N 2.79Å; V211-L214 PolarHBondContact O-N 2.85Å; V211-Q215 PolarHBondContact O-N 2.86Å; V211-L248 HydrophobicContact CG2-CB 4.41Å; V211-L252 HydrophobicContact CG1-CD1 3.5Å; V211-L252 VanDerWaalsContact CG1-CD1 3.5Å; V211-L254 HydrophobicContact CG1-CD1 3.92Å; V211-I279 HydrophobicContact CG2-CD1 3.81Å |
| 212 | H | 94.9 | Very high | 84 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 175.1 | 172.8 | 86.4 | 0 | 0 | 0 | 112.3 | C160 L163 M187 L208 V210 L214 Q215 A216 | C160-H212 PolarHBondContact N-ND1 2.85Å; L163-H212 HydrophobicContact CD1-CB 3.98Å; M187-H212 WeakPolarHBondContact CE-CD2 3.19Å; M187-H212 WeakPolarHBondContact CE-NE2 3.49Å; L208-H212 VanDerWaalsContact O-CB 3.3Å; L208-H212 WeakPolarHBondContact O-CB 3.41Å; L208-H212 PolarHBondContact O-N 3.37Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 3.03Å; H212-L214 PolarHBondContact O-N 2.8Å; H212-Q215 WeakPolarHBondContact O-CB 3.3Å; H212-Q215 PolarHBondContact O-N 3.29Å; H212-A216 PolarHBondContact O-N 3.27Å; H212-A216 VanDerWaalsContact O-N 3.09Å |
| 213 | R | 92.6 | Very high | 82.5 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68 | -34.2 | 179.5 | -76.4 | -165.5 | 57.9 | -154.7 | -0.8 | 112.9 | M187 P209 V210 V211 Q215 A216 N217 F303 T337 | M187-R213 HydrophobicContact SD-CG 4.08Å; P209-R213 WeakPolarHBondContact O-CB 3.27Å; P209-R213 WeakPolarHBondContact O-CG 3.3Å; P209-R213 PolarHBondContact O-N 3.2Å; V210-R213 PolarHBondContact O-N 2.72Å; V211-R213 PolarHBondContact O-N 2.79Å; R213-Q215 VanDerWaalsContact C-N 3.3Å; R213-A216 PolarHBondContact O-N 3.27Å; R213-N217 PolarHBondContact O-N 3.19Å; R213-F303 HydrophobicContact CB-CE2 4Å; R213-F303 HydrophobicContact CB-CZ 3.61Å; R213-F303 HydrophobicContact CG-CZ 4.14Å; R213-T337 PolarHBondContact NH2-O 3.39Å |
| 214 | L | 91.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -32.1 | 174.7 | -68.6 | -176.6 | 0 | 0 | 0 | 112.6 | V210 V211 H212 R227 A228 L254 I279 N302 F303 | V210-L214 HydrophobicContact CG1-CD1 4.08Å; V210-L214 HydrophobicContact CG1-CG 4.38Å; V210-L214 VanDerWaalsContact O-CG 3.32Å; V210-L214 WeakPolarHBondContact O-CG 3.12Å; V210-L214 PolarHBondContact O-N 3.48Å; V211-L214 PolarHBondContact O-N 2.85Å; H212-L214 PolarHBondContact O-N 2.8Å; L214-R227 HydrophobicContact CD1-CB 4.49Å; L214-R227 HydrophobicContact CD2-CB 3.47Å; L214-R227 VanDerWaalsContact CD2-CB 3.47Å; L214-R227 HydrophobicContact CD2-CG 4.48Å; L214-R227 PolarHBondContact O-NH1 3.27Å; L214-A228 HydrophobicContact CD1-CB 3.98Å; L214-L254 HydrophobicContact CB-CD1 4.18Å; L214-I279 HydrophobicContact CD1-CD1 3.94Å; L214-I279 HydrophobicContact CD1-CG1 3.7Å; L214-N302 HydrophobicContact CD2-CB 4.38Å; L214-F303 HydrophobicContact CD2-CD2 4.27Å; L214-F303 HydrophobicContact CD2-CE2 4.16Å; L214-F303 HydrophobicContact CG-CE2 4.41Å |
| 215 | Q | 89.8 | Confident | 80.8 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.5 | -46.4 | 174.2 | -179.5 | -83.1 | -7.3 | 0 | 0 | 111.4 | V211 H212 R213 N217 R218 L252 | V211-Q215 PolarHBondContact O-N 2.86Å; H212-Q215 WeakPolarHBondContact O-CB 3.3Å; H212-Q215 PolarHBondContact O-N 3.29Å; R213-Q215 VanDerWaalsContact C-N 3.3Å; Q215-N217 PolarHBondContact O-N 3.28Å; Q215-R218 WeakPolarHBondContact O-CB 3.37Å; Q215-R218 PolarHBondContact O-N 2.75Å; Q215-L252 HydrophobicContact CB-CD1 4.09Å; Q215-L252 HydrophobicContact CG-CD1 4.2Å; Q215-L252 HydrophobicContact CG-CD2 3.85Å; Q215-L252 HydrophobicContact CG-CG 4.42Å |
| 216 | A | 84.4 | Confident | 80.6 | Confident | 52 Ų | 52 | 56 Ų | 56 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H212 R213 R218 | H212-A216 PolarHBondContact O-N 3.27Å; H212-A216 VanDerWaalsContact O-N 3.09Å; R213-A216 PolarHBondContact O-N 3.27Å; A216-R218 VanDerWaalsContact C-N 3.27Å; A216-R218 PolarHBondContact O-N 2.88Å |
| 217 | N | 74.3 | Confident | 80.4 | Confident | 77 Ų | 77 | 56.9 Ų | 56.9 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -83.4 | 5.8 | 179.7 | -66.9 | -5.3 | 0 | 0 | 0 | 113.8 | R213 Q215 Q219 | R213-N217 PolarHBondContact O-N 3.19Å; Q215-N217 PolarHBondContact O-N 3.28Å; N217-Q219 VanDerWaalsContact C-N 3.27Å; N217-Q219 PolarHBondContact O-N 2.84Å |
| 218 | R | 69.9 | Low | 80.4 | Confident | 134 Ų | 134 | 56.9 Ų | 56.9 | 51% | 0.506 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -73.1 | -18.8 | -175.1 | -168.6 | 177.2 | -177.3 | 176.8 | 6.7 | 113.5 | Q215 A216 D220 L252 | Q215-R218 WeakPolarHBondContact O-CB 3.37Å; Q215-R218 PolarHBondContact O-N 2.75Å; A216-R218 VanDerWaalsContact C-N 3.27Å; A216-R218 PolarHBondContact O-N 2.88Å; R218-D220 PolarHBondContact O-N 3.05Å; R218-L252 PolarHBondContact NH1-O 3.3Å |
| 219 | Q | 54.1 | Low | 80.4 | Confident | 183 Ų | 183 | 56.9 Ų | 56.9 | 86% | 0.855 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -67.7 | -15.7 | -172.4 | -69.2 | -172.2 | -18 | 0 | 0 | 114.2 | N217 | N217-Q219 VanDerWaalsContact C-N 3.27Å; N217-Q219 PolarHBondContact O-N 2.84Å |
| 220 | D | 52.2 | Low | 80.5 | Confident | 144 Ų | 144 | 57 Ų | 57 | 77% | 0.77 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -103 | -16.3 | -170.6 | -76.1 | -32.8 | 0 | 0 | 0 | 116.8 | R218 | R218-D220 PolarHBondContact O-N 3.05Š|
| 221 | E | 52.4 | Low | 80.6 | Confident | 120 Ų | 120 | 56.9 Ų | 56.9 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | trans | -168.2 | 126.7 | -173 | -112.7 | 159.9 | -155.7 | 0 | 0 | 114.8 | T223 R225 | E221-T223 HydrophobicContact CB-CG2 3.68Å; E221-T223 HydrophobicContact CG-CG2 3.71Å; E221-T223 PolarHBondContact O-N 3.22Å; E221-T223 VanDerWaalsContact OE2-CG2 3.25Å; E221-T223 WeakPolarHBondContact OE2-CG2 3.45Å; E221-R225 IonicContact OE2-CZ 2.96Å; E221-R225 IonicContact OE2-NH1 2.68Å; E221-R225 IonicContact OE2-NH2 2.92Å; E221-R225 PolarHBondContact OE2-NH2 2.86Å | ||
| 222 | T | 52.2 | Low | 80.5 | Confident | 155 Ų | 155 | 56.9 Ų | 56.9 | 95% | 0.951 | 29% | 0.288 | S | S | * | . | trans | -73 | 70.9 | 158.1 | 52 | 0 | 0 | 0 | 0 | 109 | ||||
| 223 | T | 59.1 | Low | 80.2 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 23% | 0.233 | 29% | 0.287 | C | S | . | . | trans | -89.5 | 126.7 | 179.1 | 37.8 | 0 | 0 | 0 | 0 | 111 | E221 R225 | E221-T223 HydrophobicContact CB-CG2 3.68Å; E221-T223 HydrophobicContact CG-CG2 3.71Å; E221-T223 PolarHBondContact O-N 3.22Å; E221-T223 VanDerWaalsContact OE2-CG2 3.25Å; E221-T223 WeakPolarHBondContact OE2-CG2 3.45Å; T223-R225 PolarHBondContact O-N 3.07Å; T223-R225 PolarHBondContact OG1-NE 3.06Å | ||
| 224 | D | 71.3 | Confident | 79.9 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | trans | -79.2 | 56.7 | 173.1 | -144.4 | 18.9 | 0 | 0 | 0 | 109.2 | H276 | D224-H276 VanDerWaalsContact C-CB 3.45Å; D224-H276 HydrophobicContact CB-CB 4.42Å; D224-H276 PolarHBondContact O-CE1 2.63Å; D224-H276 PolarHBondContact O-ND1 3.13Å; D224-H276 VanDerWaalsContact O-ND1 3.07Å; D224-H276 VanDerWaalsContact OD1-CB 3.28Å; D224-H276 WeakPolarHBondContact OD1-CB 3.4Å; D224-H276 IonicContact OD1-CD2 3.46Å; D224-H276 PolarHBondContact OD1-CD2 2.84Å; D224-H276 IonicContact OD1-CG 2.91Å; D224-H276 PolarHBondContact OD1-N 3.49Å; D224-H276 IonicContact OD2-CD2 3.57Å; D224-H276 PolarHBondContact OD2-CD2 3.29Å; D224-H276 VanDerWaalsContact OD2-CD2 3.25Å; D224-H276 IonicContact OD2-NE2 2.73Å | ||
| 225 | R | 82.8 | Confident | 79.6 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -132.1 | 156.8 | -175.1 | 75.8 | -174.8 | 160.9 | -171.6 | -8.9 | 113 | E221 T223 R227 E300 | E221-R225 IonicContact OE2-CZ 2.96Å; E221-R225 IonicContact OE2-NH1 2.68Å; E221-R225 IonicContact OE2-NH2 2.92Å; E221-R225 PolarHBondContact OE2-NH2 2.86Å; T223-R225 PolarHBondContact O-N 3.07Å; T223-R225 PolarHBondContact OG1-NE 3.06Å; R225-R227 HydrophobicContact CG-CG 4.19Å; R225-E300 WeakPolarHBondContact CD-OE2 3.36Å; R225-E300 IonicContact CZ-OE2 3.9Å; R225-E300 IonicContact NE-OE2 3.26Å; R225-E300 VanDerWaalsContact NH1-CD 3.35Å; R225-E300 IonicContact NH1-OE1 3.04Å; R225-E300 IonicContact NH1-OE2 3.94Å; R225-E300 PolarHBondContact NH1-OE2 3.47Å |
| 226 | I | 91.1 | Very high | 79.4 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | trans | -82.6 | 124.8 | 175 | -53.9 | 163.4 | 0 | 0 | 0 | 107.9 | F272 P277 L280 L296 L301 | I226-F272 HydrophobicContact CD1-CD1 4.38Å; I226-F272 HydrophobicContact CD1-CE1 3.59Å; I226-F272 HydrophobicContact CD1-CZ 4.17Å; I226-F272 HydrophobicContact CG1-CE1 4.15Å; I226-P277 WeakPolarHBondContact CA-O 3.46Å; I226-L280 HydrophobicContact CD1-CD2 3.97Å; I226-L280 HydrophobicContact CG2-CB 3.87Å; I226-L296 HydrophobicContact CD1-CB 3.89Å; I226-L296 HydrophobicContact CD1-CD1 3.86Å; I226-L301 HydrophobicContact CB-CD2 4.42Å; I226-L301 HydrophobicContact CG2-CD2 3.88Å | ||
| 227 | R | 92.9 | Very high | 79.6 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | trans | -105 | -29.4 | -177.4 | -61.2 | -172.5 | -75 | 155.1 | -4.4 | 112.8 | L214 R225 D278 N302 F303 | L214-R227 HydrophobicContact CD1-CB 4.49Å; L214-R227 HydrophobicContact CD2-CB 3.47Å; L214-R227 VanDerWaalsContact CD2-CB 3.47Å; L214-R227 HydrophobicContact CD2-CG 4.48Å; L214-R227 PolarHBondContact O-NH1 3.27Å; R225-R227 HydrophobicContact CG-CG 4.19Å; R227-D278 IonicContact CZ-OD1 3.68Å; R227-D278 VanDerWaalsContact CZ-OD1 3.26Å; R227-D278 PolarHBondContact N-O 2.61Å; R227-D278 IonicContact NE-OD1 2.71Å; R227-D278 PolarHBondContact NE-OD1 3.29Å; R227-D278 VanDerWaalsContact NH2-CG 3.28Å; R227-D278 IonicContact NH2-OD1 3.73Å; R227-D278 PolarHBondContact NH2-OD1 3.12Å; R227-N302 WeakPolarHBondContact O-CA 3.21Å; R227-N302 WeakPolarHBondContact O-CB 3.46Å; R227-N302 PolarHBondContact O-N 3.16Å; R227-F303 PolarHBondContact O-N 3.05Å | ||
| 228 | A | 96.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V210 L214 D278 I279 L280 F303 | V210-A228 HydrophobicContact CG1-CB 3.74Å; L214-A228 HydrophobicContact CD1-CB 3.98Å; A228-D278 PolarHBondContact N-O 2.94Å; A228-I279 HydrophobicContact CB-CG1 4.25Å; A228-I279 HydrophobicContact CB-CG2 4.42Å; A228-I279 WeakPolarHBondContact O-CA 3.44Å; A228-L280 PolarHBondContact O-N 3.03Å; A228-F303 WeakPolarHBondContact CA-O 3.08Å; A228-F303 HydrophobicContact CB-CB 4.04Å; A228-F303 HydrophobicContact CB-CD2 4.35Å |
| 229 | L | 97.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.3 | 174.1 | 173.5 | 60.5 | 0 | 0 | 0 | 109.6 | V231 L280 A282 L287 L298 L301 F303 L304 V305 I324 | L229-V231 HydrophobicContact CD1-CG2 4.38Å; L229-V231 HydrophobicContact CD2-CG2 4.05Å; L229-V231 HydrophobicContact CG-CG2 3.94Å; L229-L280 CarbonylContact C-O 3.49Å; L229-L280 WeakPolarHBondContact CA-O 3.49Å; L229-L280 HydrophobicContact CD1-CB 4.19Å; L229-L280 HydrophobicContact CD1-CD2 4.06Å; L229-L280 HydrophobicContact CD1-CG 4.08Å; L229-A282 HydrophobicContact CD1-CB 4.18Å; L229-L287 HydrophobicContact CD1-CD1 4.22Å; L229-L287 HydrophobicContact CD1-CD2 4.08Å; L229-L287 HydrophobicContact CD2-CD1 4.3Å; L229-L287 HydrophobicContact CD2-CD2 3.47Å; L229-L287 VanDerWaalsContact CD2-CD2 3.47Å; L229-L287 HydrophobicContact CG-CD2 4.32Å; L229-L298 HydrophobicContact CD2-CD1 3.91Å; L229-L298 HydrophobicContact CD2-CD2 3.88Å; L229-L301 HydrophobicContact CB-CD1 3.93Å; L229-L301 HydrophobicContact CB-CD2 3.99Å; L229-L301 HydrophobicContact CD2-CD1 4.28Å; L229-F303 PolarHBondContact N-O 3.01Å; L229-L304 HydrophobicContact CB-CD1 3.92Å; L229-L304 HydrophobicContact CD2-CD1 3.43Å; L229-L304 VanDerWaalsContact CD2-CD1 3.43Å; L229-L304 HydrophobicContact CG-CD1 3.67Å; L229-L304 WeakPolarHBondContact O-CA 3.44Å; L229-V305 PolarHBondContact O-N 3.5Å; L229-I324 HydrophobicContact CD2-CG2 4.28Å |
| 230 | V | 98.3 | Very high | 83 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.1 | 170.8 | -173 | 0 | 0 | 0 | 0 | 109.2 | Y206 V232 V241 I279 L280 V281 A282 V305 | Y206-V230 HydrophobicContact CE2-CG1 4.04Å; Y206-V230 HydrophobicContact CE2-CG2 4.1Å; V230-V232 HydrophobicContact CG1-CG1 4.21Å; V230-V241 HydrophobicContact CG1-CG1 4.07Å; V230-I279 HydrophobicContact CG2-CG2 4.42Å; V230-L280 PolarHBondContact N-O 3.36Å; V230-V281 HydrophobicContact CB-CG1 4.34Å; V230-V281 HydrophobicContact CB-CG2 4.28Å; V230-V281 CarbonylContact O-C 3.54Å; V230-V281 WeakPolarHBondContact O-CA 3.31Å; V230-A282 PolarHBondContact O-N 3Å; V230-V305 HydrophobicContact CB-CB 4.34Å; V230-V305 HydrophobicContact CG1-CB 4.11Å; V230-V305 HydrophobicContact CG1-CG1 4.23Å; V230-V305 HydrophobicContact CG2-CB 4.12Å; V230-V305 HydrophobicContact CG2-CG2 4.2Å |
| 231 | V | 97.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.4 | 178.5 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | L229 A282 P284 L287 L304 V305 D307 M312 I324 | L229-V231 HydrophobicContact CD1-CG2 4.38Å; L229-V231 HydrophobicContact CD2-CG2 4.05Å; L229-V231 HydrophobicContact CG-CG2 3.94Å; V231-A282 WeakPolarHBondContact CA-O 3.39Å; V231-P284 HydrophobicContact CG1-CG 3.75Å; V231-L287 HydrophobicContact CG2-CD2 4.13Å; V231-L304 HydrophobicContact CG2-CD1 3.92Å; V231-V305 PolarHBondContact N-O 3.1Å; V231-D307 PolarHBondContact O-N 3.32Å; V231-M312 HydrophobicContact CG1-CE 3.59Å; V231-M312 HydrophobicContact CG1-SD 4.32Å; V231-I324 HydrophobicContact CG1-CD1 4.47Å; V231-I324 HydrophobicContact CG2-CG2 4.44Å |
| 232 | V | 94.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -133.9 | 149.6 | -177.5 | -70.1 | 0 | 0 | 0 | 0 | 111.1 | V230 S234 L237 A238 V241 V281 A282 T283 P284 D307 | V230-V232 HydrophobicContact CG1-CG1 4.21Å; V232-S234 PolarHBondContact O-N 3.15Å; V232-L237 HydrophobicContact CB-CB 4.46Å; V232-L237 HydrophobicContact CB-CD2 3.97Å; V232-L237 HydrophobicContact CB-CG 4.06Å; V232-L237 HydrophobicContact CG1-CD2 3.96Å; V232-L237 HydrophobicContact CG1-CG 3.92Å; V232-A238 HydrophobicContact CG2-CB 3.54Å; V232-V241 HydrophobicContact CG1-CG2 4.28Å; V232-V281 HydrophobicContact CG1-CG1 4.48Å; V232-V281 HydrophobicContact CG2-CG1 4.09Å; V232-A282 PolarHBondContact N-O 3.03Å; V232-T283 WeakPolarHBondContact O-CA 3.36Å; V232-P284 VanDerWaalsContact O-CD 3.29Å; V232-P284 WeakPolarHBondContact O-CD 3.35Å; V232-D307 HydrophobicContact CG1-CB 3.99Å | ||
| 233 | P | 89.4 | Confident | 89.1 | Confident | 19 Ų | 19 | 19.9 Ų | 19.9 | 12% | 0.123 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -69.5 | -28.3 | -175.4 | 26.4 | -38.3 | 0 | 0 | 0 | 114.6 | L237 E308 T311 M312 F317 | P233-L237 HydrophobicContact CG-CD2 4.15Å; P233-E308 HydrophobicContact CG-CB 3.78Å; P233-E308 HydrophobicContact CG-CG 4.06Å; P233-T311 HydrophobicContact CB-CG2 3.83Å; P233-T311 HydrophobicContact CG-CG2 4.36Å; P233-M312 HydrophobicContact CB-SD 4.19Å; P233-F317 HydrophobicContact CB-CE2 4.4Å; P233-F317 HydrophobicContact CB-CZ 4.4Å |
| 234 | S | 86.6 | Confident | 90.8 | Very high | 12 Ų | 12 | 20.8 Ų | 20.8 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | trans | -129.4 | 157 | -173 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | V232 E236 L237 A238 | V232-S234 PolarHBondContact O-N 3.15Å; S234-E236 VanDerWaalsContact C-N 3.33Å; S234-L237 VanDerWaalsContact OG-CB 3.27Å; S234-L237 WeakPolarHBondContact OG-CB 3.42Å; S234-L237 PolarHBondContact OG-N 2.87Å; S234-L237 VanDerWaalsContact OG-N 3.16Å; S234-A238 PolarHBondContact O-N 2.74Å | ||
| 235 | R | 84.9 | Confident | 92.1 | Very high | 18 Ų | 18 | 16.5 Ų | 16.5 | 7% | 0.068 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72.9 | -33.3 | 178.9 | -70.2 | -174.3 | 59.2 | -172.6 | -4.7 | 111.7 | L237 A238 E239 G261 T283 | R235-L237 VanDerWaalsContact C-N 3.35Å; R235-A238 WeakPolarHBondContact O-CB 3.23Å; R235-A238 PolarHBondContact O-N 3.3Å; R235-E239 PolarHBondContact O-N 2.83Å; R235-G261 WeakPolarHBondContact CD-O 3.41Å; R235-G261 VanDerWaalsContact CZ-O 3.25Å; R235-G261 PolarHBondContact NE-O 2.9Å; R235-G261 PolarHBondContact NH1-O 2.97Å; R235-T283 HydrophobicContact CG-CG2 3.78Å |
| 236 | E | 85.3 | Confident | 92.7 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 3% | 0.033 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 178.6 | -61.9 | 70.1 | -160 | 0 | 0 | 109.6 | S234 E239 Q240 R453 L478 | S234-E236 VanDerWaalsContact C-N 3.33Å; E236-E239 PolarHBondContact O-N 3.19Å; E236-Q240 WeakPolarHBondContact O-CG 3.34Å; E236-Q240 PolarHBondContact O-N 3.49Å; E236-Q240 VanDerWaalsContact O-N 3.13Å; E236-R453 VanDerWaalsContact CD-NH2 3.29Å; E236-R453 WeakPolarHBondContact OE1-CB 3.36Å; E236-R453 IonicContact OE1-CZ 2.67Å; E236-R453 VanDerWaalsContact OE1-CZ 3.23Å; E236-R453 IonicContact OE1-NE 3.68Å; E236-R453 PolarHBondContact OE1-NE 3.38Å; E236-R453 IonicContact OE1-NH2 3.47Å; E236-R453 PolarHBondContact OE1-NH2 3.26Å; E236-R453 IonicContact OE2-CZ 3.5Å; E236-R453 IonicContact OE2-NE 3.81Å; E236-R453 IonicContact OE2-NH2 2.7Å; E236-R453 PolarHBondContact OE2-NH2 3.26Å; E236-L478 HydrophobicContact CB-CD2 3.44Å; E236-L478 VanDerWaalsContact CB-CD2 3.44Å; E236-L478 HydrophobicContact CG-CD2 4.15Å |
| 237 | L | 87.9 | Confident | 93 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 171.3 | -178.5 | 57 | 0 | 0 | 0 | 111.9 | V232 P233 S234 R235 E239 Q240 V241 E308 | V232-L237 HydrophobicContact CB-CB 4.46Å; V232-L237 HydrophobicContact CB-CD2 3.97Å; V232-L237 HydrophobicContact CB-CG 4.06Å; V232-L237 HydrophobicContact CG1-CD2 3.96Å; V232-L237 HydrophobicContact CG1-CG 3.92Å; P233-L237 HydrophobicContact CG-CD2 4.15Å; S234-L237 VanDerWaalsContact OG-CB 3.27Å; S234-L237 WeakPolarHBondContact OG-CB 3.42Å; S234-L237 PolarHBondContact OG-N 2.87Å; S234-L237 VanDerWaalsContact OG-N 3.16Å; R235-L237 VanDerWaalsContact C-N 3.35Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 2.99Å; L237-Q240 PolarHBondContact O-N 3.07Å; L237-V241 HydrophobicContact CD1-CG2 3.82Å; L237-V241 HydrophobicContact CG-CG2 4.19Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.27Å; L237-E308 HydrophobicContact CD2-CG 3.55Å |
| 238 | A | 91.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V232 S234 R235 A242 V281 | V232-A238 HydrophobicContact CG2-CB 3.54Å; S234-A238 PolarHBondContact O-N 2.74Å; R235-A238 WeakPolarHBondContact O-CB 3.23Å; R235-A238 PolarHBondContact O-N 3.3Å; A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 3.42Å; A238-V281 HydrophobicContact CB-CG1 3.92Å |
| 239 | E | 89.8 | Confident | 93.1 | Very high | 55 Ų | 55 | 20.5 Ų | 20.5 | 26% | 0.257 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -68.2 | -34.4 | 177.2 | -68.1 | -59.1 | 158.7 | 0 | 0 | 112.4 | R235 E236 L237 A243 R246 T258 | R235-E239 PolarHBondContact O-N 2.83Å; E236-E239 PolarHBondContact O-N 3.19Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 2.99Å; E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.48Å; E239-R246 IonicContact OE2-NH1 2.8Å; E239-R246 IonicContact OE2-NH2 3.46Å; E239-T258 PolarHBondContact OE1-OG1 2.83Å |
| 240 | Q | 89.8 | Confident | 92.8 | Very high | 31 Ų | 31 | 23.9 Ų | 23.9 | 15% | 0.145 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -51.3 | 174.4 | -75.5 | 166.6 | -16.9 | 0 | 0 | 112.3 | E236 L237 A242 A243 V244 F457 G477 | E236-Q240 WeakPolarHBondContact O-CG 3.34Å; E236-Q240 PolarHBondContact O-N 3.49Å; E236-Q240 VanDerWaalsContact O-N 3.13Å; L237-Q240 PolarHBondContact O-N 3.07Å; Q240-A242 VanDerWaalsContact C-N 3.28Å; Q240-A242 PolarHBondContact O-N 2.99Å; Q240-A243 WeakPolarHBondContact O-CB 3.3Å; Q240-A243 PolarHBondContact O-N 2.97Å; Q240-A243 VanDerWaalsContact O-N 3.17Å; Q240-V244 WeakPolarHBondContact O-CG2 3.4Å; Q240-V244 PolarHBondContact O-N 3.04Å; Q240-F457 HydrophobicContact CG-CE1 4.47Å; Q240-G477 PolarHBondContact OE1-O 3.4Å |
| 241 | V | 94.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | T203 Y206 V230 V232 L237 A243 V244 S245 V281 | T203-V241 HydrophobicContact CG2-CG2 4.34Å; Y206-V241 WeakPolarHBondContact OH-CG1 3.5Å; V230-V241 HydrophobicContact CG1-CG1 4.07Å; V232-V241 HydrophobicContact CG1-CG2 4.28Å; L237-V241 HydrophobicContact CD1-CG2 3.82Å; L237-V241 HydrophobicContact CG-CG2 4.19Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.27Å; V241-A243 PolarHBondContact O-N 3.44Å; V241-V244 PolarHBondContact O-N 3.36Å; V241-S245 VanDerWaalsContact O-CB 3.3Å; V241-S245 WeakPolarHBondContact O-CB 3.38Å; V241-S245 PolarHBondContact O-N 3.19Å; V241-V281 HydrophobicContact CB-CG1 4.16Å; V241-V281 HydrophobicContact CG1-CG1 4.12Å; V241-V281 HydrophobicContact CG1-CG2 4.09Å |
| 242 | A | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A238 Q240 S245 R246 T256 T258 V281 | A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 3.42Å; Q240-A242 VanDerWaalsContact C-N 3.28Å; Q240-A242 PolarHBondContact O-N 2.99Å; A242-S245 PolarHBondContact O-N 3.23Å; A242-R246 WeakPolarHBondContact O-CB 3.37Å; A242-R246 VanDerWaalsContact O-CG 3.22Å; A242-R246 WeakPolarHBondContact O-CG 3.32Å; A242-R246 PolarHBondContact O-N 3.25Å; A242-T256 HydrophobicContact CB-CG2 4.15Å; A242-T258 HydrophobicContact CB-CG2 3.23Å; A242-V281 HydrophobicContact CB-CB 4.39Å; A242-V281 HydrophobicContact CB-CG2 4.09Å |
| 243 | A | 93.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 29 Ų | 29 | 40% | 0.397 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E239 Q240 V241 S245 R246 T247 | E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.48Å; Q240-A243 WeakPolarHBondContact O-CB 3.3Å; Q240-A243 PolarHBondContact O-N 2.97Å; Q240-A243 VanDerWaalsContact O-N 3.17Å; V241-A243 PolarHBondContact O-N 3.44Å; A243-S245 PolarHBondContact O-N 3.22Å; A243-R246 PolarHBondContact O-N 3.45Å; A243-T247 PolarHBondContact O-N 2.83Å; A243-T247 VanDerWaalsContact O-N 3.14Å; A243-T247 PolarHBondContact O-OG1 3.17Å |
| 244 | V | 95.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 28.6 Ų | 28.6 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | T203 L204 L207 Q240 V241 R246 T247 L248 | T203-V244 HydrophobicContact CG2-CG1 4.39Å; L204-V244 HydrophobicContact CD2-CG1 3.87Å; L207-V244 HydrophobicContact CD1-CB 4.14Å; L207-V244 HydrophobicContact CD1-CG1 3.75Å; Q240-V244 WeakPolarHBondContact O-CG2 3.4Å; Q240-V244 PolarHBondContact O-N 3.04Å; V241-V244 PolarHBondContact O-N 3.36Å; V244-R246 PolarHBondContact O-N 3.49Å; V244-T247 PolarHBondContact O-N 3.02Å; V244-L248 HydrophobicContact CG1-CD1 4.26Å; V244-L248 WeakPolarHBondContact O-CG 3.35Å; V244-L248 PolarHBondContact O-N 3.49Å; V244-L248 VanDerWaalsContact O-N 3.14Å |
| 245 | S | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | V241 A242 A243 T247 L248 C249 T256 | V241-S245 VanDerWaalsContact O-CB 3.3Å; V241-S245 WeakPolarHBondContact O-CB 3.38Å; V241-S245 PolarHBondContact O-N 3.19Å; A242-S245 PolarHBondContact O-N 3.23Å; A243-S245 PolarHBondContact O-N 3.22Å; S245-T247 VanDerWaalsContact C-N 3.32Å; S245-T247 PolarHBondContact O-N 2.87Å; S245-L248 PolarHBondContact O-N 2.79Å; S245-C249 WeakPolarHBondContact O-CB 2.83Å; S245-C249 PolarHBondContact O-N 2.78Å; S245-C249 PolarHBondContact O-SG 3.2Å; S245-T256 WeakPolarHBondContact OG-CG2 3.47Å; S245-T256 PolarHBondContact OG-OG1 3.02Å |
| 246 | R | 96.6 | Very high | 93 | Very high | 101 Ų | 101 | 32 Ų | 32 | 38% | 0.381 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 176.4 | -75 | 177 | -157.5 | 121.1 | -1.8 | 111.8 | E239 A242 A243 V244 C249 A250 T256 | E239-R246 IonicContact OE2-NH1 2.8Å; E239-R246 IonicContact OE2-NH2 3.46Å; A242-R246 WeakPolarHBondContact O-CB 3.37Å; A242-R246 VanDerWaalsContact O-CG 3.22Å; A242-R246 WeakPolarHBondContact O-CG 3.32Å; A242-R246 PolarHBondContact O-N 3.25Å; A243-R246 PolarHBondContact O-N 3.45Å; V244-R246 PolarHBondContact O-N 3.49Å; R246-C249 PolarHBondContact O-N 2.9Å; R246-A250 VanDerWaalsContact O-CB 3.32Å; R246-A250 WeakPolarHBondContact O-CB 3.32Å; R246-A250 PolarHBondContact O-N 2.89Å; R246-T256 HydrophobicContact CG-CG2 4.41Å; R246-T256 PolarHBondContact NE-O 2.65Å |
| 247 | T | 96.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 33.2 Ų | 33.2 | 41% | 0.405 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | T166 V170 A243 V244 S245 P251 | T166-T247 HydrophobicContact CG2-CG2 3.89Å; V170-T247 HydrophobicContact CG1-CG2 3.99Å; A243-T247 PolarHBondContact O-N 2.83Å; A243-T247 VanDerWaalsContact O-N 3.14Å; A243-T247 PolarHBondContact O-OG1 3.17Å; V244-T247 PolarHBondContact O-N 3.02Å; S245-T247 VanDerWaalsContact C-N 3.32Å; S245-T247 PolarHBondContact O-N 2.87Å; T247-P251 WeakPolarHBondContact O-CD 3.49Å |
| 248 | L | 96.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.1 | -34.6 | 178.2 | -62.2 | 175.5 | 0 | 0 | 0 | 113 | L163 T166 L167 L204 L207 L208 V211 V244 S245 | L163-L248 HydrophobicContact CD2-CB 3.95Å; L163-L248 HydrophobicContact CD2-CD2 4.12Å; T166-L248 HydrophobicContact CG2-CD2 4.22Å; L167-L248 HydrophobicContact CD2-CD2 4.32Å; L204-L248 HydrophobicContact CD2-CD1 3.9Å; L207-L248 HydrophobicContact CB-CD1 3.81Å; L207-L248 HydrophobicContact CD1-CD1 4.25Å; L208-L248 HydrophobicContact CD2-CD1 4.16Å; L208-L248 HydrophobicContact CD2-CD2 3.98Å; V211-L248 HydrophobicContact CG2-CB 4.41Å; V244-L248 HydrophobicContact CG1-CD1 4.26Å; V244-L248 WeakPolarHBondContact O-CG 3.35Å; V244-L248 PolarHBondContact O-N 3.49Å; V244-L248 VanDerWaalsContact O-N 3.14Å; S245-L248 PolarHBondContact O-N 2.79Å |
| 249 | C | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80 | -29.3 | -176.5 | -76.6 | 0 | 0 | 0 | 0 | 113.8 | S245 R246 L252 G253 L254 I279 | S245-C249 WeakPolarHBondContact O-CB 2.83Å; S245-C249 PolarHBondContact O-N 2.78Å; S245-C249 PolarHBondContact O-SG 3.2Å; R246-C249 PolarHBondContact O-N 2.9Å; C249-L252 CarbonylContact O-C 3.58Å; C249-L252 PolarHBondContact O-N 2.85Å; C249-G253 PolarHBondContact O-N 3.25Å; C249-G253 VanDerWaalsContact O-N 3.09Å; C249-L254 HydrophobicContact CB-CB 3.67Å; C249-L254 WeakPolarHBondContact CB-O 3.42Å; C249-L254 PolarHBondContact O-N 3.21Å; C249-L254 VanDerWaalsContact O-N 3.11Å; C249-I279 VanDerWaalsContact SG-CD1 3.56Å |
| 250 | A | 93.4 | Very high | 93.5 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 59% | 0.587 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -52.3 | -51.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R246 L252 G253 | R246-A250 VanDerWaalsContact O-CB 3.32Å; R246-A250 WeakPolarHBondContact O-CB 3.32Å; R246-A250 PolarHBondContact O-N 2.89Å; A250-L252 PolarHBondContact O-N 2.63Å; A250-G253 PolarHBondContact O-N 3.37Å |
| 251 | P | 92.7 | Very high | 92.8 | Very high | 57 Ų | 57 | 31.5 Ų | 31.5 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -65.9 | -23.3 | 179.6 | 27.9 | -36.6 | 0 | 0 | 0 | 112.7 | E162 T247 | E162-P251 HydrophobicContact CB-CB 4.28Å; E162-P251 HydrophobicContact CB-CG 4.47Å; T247-P251 WeakPolarHBondContact O-CD 3.49Å |
| 252 | L | 91.5 | Very high | 91.7 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -94.4 | 2.5 | -178.5 | -58.3 | 176.9 | 0 | 0 | 0 | 112.4 | E162 L163 V211 Q215 R218 C249 A250 L254 | E162-L252 HydrophobicContact CB-CD2 3.78Å; E162-L252 HydrophobicContact CG-CD2 3.97Å; L163-L252 HydrophobicContact CD2-CD1 4.11Å; L163-L252 HydrophobicContact CG-CD1 4.19Å; V211-L252 HydrophobicContact CG1-CD1 3.5Å; V211-L252 VanDerWaalsContact CG1-CD1 3.5Å; Q215-L252 HydrophobicContact CB-CD1 4.09Å; Q215-L252 HydrophobicContact CG-CD1 4.2Å; Q215-L252 HydrophobicContact CG-CD2 3.85Å; Q215-L252 HydrophobicContact CG-CG 4.42Å; R218-L252 PolarHBondContact NH1-O 3.3Å; C249-L252 CarbonylContact O-C 3.58Å; C249-L252 PolarHBondContact O-N 2.85Å; A250-L252 PolarHBondContact O-N 2.63Å; L252-L254 HydrophobicContact CB-CD1 4.16Å; L252-L254 HydrophobicContact CB-CG 4.11Å; L252-L254 HydrophobicContact CD1-CD1 4.41Å; L252-L254 PolarHBondContact O-N 2.78Å |
| 253 | G | 90.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 24.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C249 A250 | C249-G253 PolarHBondContact O-N 3.25Å; C249-G253 VanDerWaalsContact O-N 3.09Å; A250-G253 PolarHBondContact O-N 3.37Å |
| 254 | L | 91.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | trans | -86.6 | 148.4 | 175.2 | -64.4 | 173.6 | 0 | 0 | 0 | 110.2 | V211 L214 C249 L252 D278 | V211-L254 HydrophobicContact CG1-CD1 3.92Å; L214-L254 HydrophobicContact CB-CD1 4.18Å; C249-L254 HydrophobicContact CB-CB 3.67Å; C249-L254 WeakPolarHBondContact CB-O 3.42Å; C249-L254 PolarHBondContact O-N 3.21Å; C249-L254 VanDerWaalsContact O-N 3.11Å; L252-L254 HydrophobicContact CB-CD1 4.16Å; L252-L254 HydrophobicContact CB-CG 4.11Å; L252-L254 HydrophobicContact CD1-CD1 4.41Å; L252-L254 PolarHBondContact O-N 2.78Å; L254-D278 HydrophobicContact CD2-CB 4.25Å | ||
| 255 | R | 92.2 | Very high | 88.9 | Confident | 87 Ų | 87 | 39.4 Ų | 39.4 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | trans | -109.2 | 130.4 | -174.3 | -60.9 | 177.5 | -64.5 | -160.7 | 9.4 | 111 | N275 H276 D278 I279 | R255-N275 VanDerWaalsContact NH1-CG 3.29Å; R255-N275 PolarHBondContact NH1-OD1 3.16Å; R255-H276 VanDerWaalsContact CZ-O 3.28Å; R255-H276 PolarHBondContact NE-O 3.05Å; R255-H276 PolarHBondContact NH2-O 3.14Å; R255-D278 PolarHBondContact N-OD2 3.37Å; R255-D278 IonicContact NE-OD2 3.23Å; R255-D278 PolarHBondContact O-N 3Å; R255-I279 PolarHBondContact O-N 3.19Å | ||
| 256 | T | 94.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.9 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | A242 S245 R246 I279 V281 | A242-T256 HydrophobicContact CB-CG2 4.15Å; S245-T256 WeakPolarHBondContact OG-CG2 3.47Å; S245-T256 PolarHBondContact OG-OG1 3.02Å; R246-T256 HydrophobicContact CG-CG2 4.41Å; R246-T256 PolarHBondContact NE-O 2.65Å; T256-I279 VanDerWaalsContact CA-O 3.29Å; T256-I279 WeakPolarHBondContact CA-O 3.47Å; T256-I279 HydrophobicContact CG2-CB 4.29Å; T256-I279 HydrophobicContact CG2-CG2 4.36Å; T256-V281 HydrophobicContact CG2-CG2 4.19Å |
| 257 | S | 94.2 | Very high | 87.5 | Confident | 34 Ų | 34 | 39 Ų | 39 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 159.7 | 177.7 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | I279 V281 | S257-I279 PolarHBondContact N-O 3.32Å; S257-I279 VanDerWaalsContact N-O 3.07Å; S257-V281 PolarHBondContact O-N 2.93Å |
| 258 | T | 93.3 | Very high | 87 | Confident | 15 Ų | 15 | 36 Ų | 36 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140 | 178.7 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | E239 A242 V281 | E239-T258 PolarHBondContact OE1-OG1 2.83Å; A242-T258 HydrophobicContact CB-CG2 3.23Å; T258-V281 CarbonylContact C-O 3.52Å; T258-V281 VanDerWaalsContact CA-O 3.23Å; T258-V281 WeakPolarHBondContact CA-O 3.29Å; T258-V281 HydrophobicContact CG2-CB 4.31Å |
| 259 | V | 91.5 | Very high | 86.4 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 112.7 | 171 | 169.5 | 0 | 0 | 0 | 0 | 110.2 | I268 V271 F272 L280 V281 A282 T283 A286 | V259-I268 HydrophobicContact CG1-CG1 4.08Å; V259-I268 HydrophobicContact CG1-CG2 4.38Å; V259-V271 HydrophobicContact CG2-CB 4.18Å; V259-V271 HydrophobicContact CG2-CG1 4.11Å; V259-V271 HydrophobicContact CG2-CG2 3.97Å; V259-F272 HydrophobicContact CG2-CE2 4.4Å; V259-F272 HydrophobicContact CG2-CZ 4.28Å; V259-L280 HydrophobicContact CB-CD1 4.17Å; V259-L280 HydrophobicContact CG2-CD1 3.75Å; V259-V281 PolarHBondContact N-O 3.06Å; V259-A282 HydrophobicContact CB-CB 4.2Å; V259-A282 WeakPolarHBondContact O-CA 3.28Å; V259-T283 PolarHBondContact O-N 3.18Å; V259-A286 HydrophobicContact CG1-CB 3.74Å |
| 260 | G | 86 | Confident | 86 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | trans | -129.6 | 154.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T283 A286 | G260-T283 WeakPolarHBondContact CA-OG1 3.48Å; G260-A286 VanDerWaalsContact C-CB 3.5Å | ||
| 261 | G | 75.2 | Confident | 85.7 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 157 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R235 T283 | R235-G261 WeakPolarHBondContact CD-O 3.41Å; R235-G261 VanDerWaalsContact CZ-O 3.25Å; R235-G261 PolarHBondContact NE-O 2.9Å; R235-G261 PolarHBondContact NH1-O 2.97Å; G261-T283 PolarHBondContact N-OG1 3.19Å |
| 262 | G | 72.1 | Confident | 85.3 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 80% | 0.804 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 7.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 263 | R | 70.8 | Confident | 84.6 | Confident | 110 Ų | 110 | 46.9 Ų | 46.9 | 42% | 0.415 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -111.6 | 14.2 | 169.2 | -68.1 | -170.9 | 174.2 | 170.6 | 4.8 | 113.9 | H267 | R263-H267 HydrophobicContact CB-CB 3.7Å; R263-H267 WeakPolarHBondContact CD-CD2 3.31Å; R263-H267 WeakPolarHBondContact CD-NE2 3.48Å; R263-H267 PolarHBondContact NH1-NE2 3.27Å; R263-H267 VanDerWaalsContact NH1-NE2 3.13Å; R263-H267 WeakPolarHBondContact O-CB 3.49Å |
| 264 | G | 74.8 | Confident | 83.6 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | 69.2 | 173 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G266 | G264-G266 VanDerWaalsContact C-N 3.32Å |
| 265 | V | 79.9 | Confident | 82.6 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.9 | -28.3 | 179.6 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | H267 I268 K269 K289 | V265-H267 PolarHBondContact O-N 3.1Å; V265-I268 WeakPolarHBondContact O-CB 3.37Å; V265-I268 PolarHBondContact O-N 3.34Å; V265-K269 HydrophobicContact CG1-CG 4.33Å; V265-K269 PolarHBondContact O-N 2.95Å; V265-K289 HydrophobicContact CG2-CD 3.89Å; V265-K289 HydrophobicContact CG2-CG 4.38Å |
| 266 | G | 82.4 | Confident | 82.2 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57 | -37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | G264 A270 R273 | G264-G266 VanDerWaalsContact C-N 3.32Å; G266-A270 WeakPolarHBondContact O-CB 3.36Å; G266-A270 PolarHBondContact O-N 3.3Å; G266-R273 PolarHBondContact O-NH2 2.81Å; G266-R273 VanDerWaalsContact O-NH2 3.1Å |
| 267 | H | 83.4 | Confident | 82 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 174.2 | -176.9 | -79 | 0 | 0 | 0 | 112 | R263 V265 K269 A270 V271 | R263-H267 HydrophobicContact CB-CB 3.7Å; R263-H267 WeakPolarHBondContact CD-CD2 3.31Å; R263-H267 WeakPolarHBondContact CD-NE2 3.48Å; R263-H267 PolarHBondContact NH1-NE2 3.27Å; R263-H267 VanDerWaalsContact NH1-NE2 3.13Å; R263-H267 WeakPolarHBondContact O-CB 3.49Å; V265-H267 PolarHBondContact O-N 3.1Å; H267-K269 VanDerWaalsContact C-N 3.35Å; H267-K269 PolarHBondContact O-N 3.08Å; H267-A270 WeakPolarHBondContact O-CB 3.46Å; H267-A270 PolarHBondContact O-N 3.26Å; H267-A270 VanDerWaalsContact O-N 3.07Å; H267-V271 PolarHBondContact O-N 3.12Å |
| 268 | I | 84.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.6 | -51 | 176.5 | -55.4 | 176.3 | 0 | 0 | 0 | 109.4 | V259 V265 A270 V271 F272 K289 C295 | V259-I268 HydrophobicContact CG1-CG1 4.08Å; V259-I268 HydrophobicContact CG1-CG2 4.38Å; V265-I268 WeakPolarHBondContact O-CB 3.37Å; V265-I268 PolarHBondContact O-N 3.34Å; I268-A270 PolarHBondContact O-N 3.06Å; I268-V271 PolarHBondContact O-N 3.31Å; I268-F272 HydrophobicContact CG2-CE2 4.01Å; I268-F272 WeakPolarHBondContact O-CD2 3.24Å; I268-K289 HydrophobicContact CD1-CB 4.38Å; I268-K289 HydrophobicContact CD1-CD 4.31Å; I268-K289 HydrophobicContact CD1-CG 4.42Å; I268-C295 HydrophobicContact CG2-CB 4.16Å |
| 269 | K | 85.3 | Confident | 82 | Confident | 110 Ų | 110 | 55.3 Ų | 55.3 | 48% | 0.478 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -26.4 | 176.5 | -69.1 | -172.5 | 175.6 | -168.2 | 0 | 113.6 | V265 H267 R273 | V265-K269 HydrophobicContact CG1-CG 4.33Å; V265-K269 PolarHBondContact O-N 2.95Å; H267-K269 VanDerWaalsContact C-N 3.35Å; H267-K269 PolarHBondContact O-N 3.08Å; K269-R273 WeakPolarHBondContact O-CB 3.41Å; K269-R273 VanDerWaalsContact O-CG 3.27Å; K269-R273 WeakPolarHBondContact O-CG 3.35Å; K269-R273 PolarHBondContact O-N 3.5Å; K269-R273 PolarHBondContact O-NE 3.18Å |
| 270 | A | 86.4 | Confident | 82.3 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.2 | -35.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G266 H267 I268 F272 R273 | G266-A270 WeakPolarHBondContact O-CB 3.36Å; G266-A270 PolarHBondContact O-N 3.3Å; H267-A270 WeakPolarHBondContact O-CB 3.46Å; H267-A270 PolarHBondContact O-N 3.26Å; H267-A270 VanDerWaalsContact O-N 3.07Å; I268-A270 PolarHBondContact O-N 3.06Å; A270-F272 PolarHBondContact O-N 2.83Å; A270-R273 PolarHBondContact O-N 2.9Å |
| 271 | V | 85.8 | Confident | 82.8 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -33.7 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | V259 H267 I268 P277 | V259-V271 HydrophobicContact CG2-CB 4.18Å; V259-V271 HydrophobicContact CG2-CG1 4.11Å; V259-V271 HydrophobicContact CG2-CG2 3.97Å; H267-V271 PolarHBondContact O-N 3.12Å; I268-V271 PolarHBondContact O-N 3.31Å; V271-P277 HydrophobicContact CG1-CG 4.37Å |
| 272 | F | 84.3 | Confident | 83.8 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 6.6 | -178.7 | -51 | -67.3 | 0 | 0 | 0 | 113.5 | I226 V259 I268 A270 H276 P277 L280 C295 L296 | I226-F272 HydrophobicContact CD1-CD1 4.38Å; I226-F272 HydrophobicContact CD1-CE1 3.59Å; I226-F272 HydrophobicContact CD1-CZ 4.17Å; I226-F272 HydrophobicContact CG1-CE1 4.15Å; V259-F272 HydrophobicContact CG2-CE2 4.4Å; V259-F272 HydrophobicContact CG2-CZ 4.28Å; I268-F272 HydrophobicContact CG2-CE2 4.01Å; I268-F272 WeakPolarHBondContact O-CD2 3.24Å; A270-F272 PolarHBondContact O-N 2.83Å; F272-H276 PolarHBondContact O-NE2 2.91Å; F272-P277 HydrophobicContact CE1-CG 4.21Å; F272-L280 HydrophobicContact CE1-CD2 4.23Å; F272-L280 HydrophobicContact CZ-CD1 4.33Å; F272-L280 HydrophobicContact CZ-CD2 3.85Å; F272-C295 VanDerWaalsContact CD2-O 3.32Å; F272-C295 WeakPolarHBondContact CD2-O 3.42Å; F272-L296 HydrophobicContact CD2-CB 4.45Å; F272-L296 HydrophobicContact CE1-CB 4.23Å; F272-L296 HydrophobicContact CE2-CB 4.01Å; F272-L296 HydrophobicContact CE2-CD2 4.02Å; F272-L296 HydrophobicContact CZ-CB 3.89Å; F272-L296 HydrophobicContact CZ-CD1 4.38Å; F272-L296 HydrophobicContact CZ-CD2 4.25Å; F272-L296 HydrophobicContact CZ-CG 4.39Å |
| 273 | R | 77.9 | Confident | 84.8 | Confident | 169 Ų | 169 | 50 Ų | 50 | 64% | 0.638 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -81.7 | -26.3 | -174.5 | -110.7 | -176.9 | -84.7 | 172.8 | -5.6 | 113.8 | G266 K269 A270 | G266-R273 PolarHBondContact O-NH2 2.81Å; G266-R273 VanDerWaalsContact O-NH2 3.1Å; K269-R273 WeakPolarHBondContact O-CB 3.41Å; K269-R273 VanDerWaalsContact O-CG 3.27Å; K269-R273 WeakPolarHBondContact O-CG 3.35Å; K269-R273 PolarHBondContact O-N 3.5Å; K269-R273 PolarHBondContact O-NE 3.18Å; A270-R273 PolarHBondContact O-N 2.9Å |
| 274 | R | 69.7 | Low | 85.9 | Confident | 221 Ų | 221 | 44.9 Ų | 44.9 | 83% | 0.834 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -145.3 | 123.2 | 178.9 | -66.6 | -177 | 178 | 170.8 | -1.9 | 107.1 | ||
| 275 | N | 71.1 | Confident | 86.7 | Confident | 106 Ų | 106 | 44.7 Ų | 44.7 | 57% | 0.567 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 59.5 | 86.6 | 172 | -70.5 | -35.5 | 0 | 0 | 0 | 113.3 | R255 | R255-N275 VanDerWaalsContact NH1-CG 3.29Å; R255-N275 PolarHBondContact NH1-OD1 3.16Å |
| 276 | H | 83.1 | Confident | 87.3 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | trans | -55.5 | 136.5 | 179.7 | -77.7 | -126.2 | 0 | 0 | 0 | 111.5 | D224 R255 F272 | D224-H276 VanDerWaalsContact C-CB 3.45Å; D224-H276 HydrophobicContact CB-CB 4.42Å; D224-H276 PolarHBondContact O-CE1 2.63Å; D224-H276 PolarHBondContact O-ND1 3.13Å; D224-H276 VanDerWaalsContact O-ND1 3.07Å; D224-H276 VanDerWaalsContact OD1-CB 3.28Å; D224-H276 WeakPolarHBondContact OD1-CB 3.4Å; D224-H276 IonicContact OD1-CD2 3.46Å; D224-H276 PolarHBondContact OD1-CD2 2.84Å; D224-H276 IonicContact OD1-CG 2.91Å; D224-H276 PolarHBondContact OD1-N 3.49Å; D224-H276 IonicContact OD2-CD2 3.57Å; D224-H276 PolarHBondContact OD2-CD2 3.29Å; D224-H276 VanDerWaalsContact OD2-CD2 3.25Å; D224-H276 IonicContact OD2-NE2 2.73Å; R255-H276 VanDerWaalsContact CZ-O 3.28Å; R255-H276 PolarHBondContact NE-O 3.05Å; R255-H276 PolarHBondContact NH2-O 3.14Å; F272-H276 PolarHBondContact O-NE2 2.91Å | ||
| 277 | P | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -69.6 | 139.2 | 177.3 | 29.8 | -34.2 | 0 | 0 | 0 | 110.5 | I226 V271 F272 I279 L280 | I226-P277 WeakPolarHBondContact CA-O 3.46Å; V271-P277 HydrophobicContact CG1-CG 4.37Å; F272-P277 HydrophobicContact CE1-CG 4.21Å; P277-I279 VanDerWaalsContact C-N 3.33Å; P277-L280 HydrophobicContact CG-CD1 4.45Å | ||
| 278 | D | 92.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -69 | -39.3 | 170.2 | -59.7 | -73.4 | 0 | 0 | 0 | 110.6 | R227 A228 L254 R255 | R227-D278 IonicContact CZ-OD1 3.68Å; R227-D278 VanDerWaalsContact CZ-OD1 3.26Å; R227-D278 PolarHBondContact N-O 2.61Å; R227-D278 IonicContact NE-OD1 2.71Å; R227-D278 PolarHBondContact NE-OD1 3.29Å; R227-D278 VanDerWaalsContact NH2-CG 3.28Å; R227-D278 IonicContact NH2-OD1 3.73Å; R227-D278 PolarHBondContact NH2-OD1 3.12Å; A228-D278 PolarHBondContact N-O 2.94Å; L254-D278 HydrophobicContact CD2-CB 4.25Å; R255-D278 PolarHBondContact N-OD2 3.37Å; R255-D278 IonicContact NE-OD2 3.23Å; R255-D278 PolarHBondContact O-N 3Å |
| 279 | I | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.9 | 177.8 | -51.1 | -171.3 | 0 | 0 | 0 | 109.4 | V211 L214 A228 V230 C249 R255 T256 S257 P277 | V211-I279 HydrophobicContact CG2-CD1 3.81Å; L214-I279 HydrophobicContact CD1-CD1 3.94Å; L214-I279 HydrophobicContact CD1-CG1 3.7Å; A228-I279 HydrophobicContact CB-CG1 4.25Å; A228-I279 HydrophobicContact CB-CG2 4.42Å; A228-I279 WeakPolarHBondContact O-CA 3.44Å; V230-I279 HydrophobicContact CG2-CG2 4.42Å; C249-I279 VanDerWaalsContact SG-CD1 3.56Å; R255-I279 PolarHBondContact O-N 3.19Å; T256-I279 VanDerWaalsContact CA-O 3.29Å; T256-I279 WeakPolarHBondContact CA-O 3.47Å; T256-I279 HydrophobicContact CG2-CB 4.29Å; T256-I279 HydrophobicContact CG2-CG2 4.36Å; S257-I279 PolarHBondContact N-O 3.32Å; S257-I279 VanDerWaalsContact N-O 3.07Å; P277-I279 VanDerWaalsContact C-N 3.33Å |
| 280 | L | 96.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.4 | 172.8 | -179.2 | 63.6 | 0 | 0 | 0 | 109.8 | I226 A228 L229 V230 V259 F272 P277 A282 L287 L296 | I226-L280 HydrophobicContact CD1-CD2 3.97Å; I226-L280 HydrophobicContact CG2-CB 3.87Å; A228-L280 PolarHBondContact O-N 3.03Å; L229-L280 CarbonylContact C-O 3.49Å; L229-L280 WeakPolarHBondContact CA-O 3.49Å; L229-L280 HydrophobicContact CD1-CB 4.19Å; L229-L280 HydrophobicContact CD1-CD2 4.06Å; L229-L280 HydrophobicContact CD1-CG 4.08Å; V230-L280 PolarHBondContact N-O 3.36Å; V259-L280 HydrophobicContact CB-CD1 4.17Å; V259-L280 HydrophobicContact CG2-CD1 3.75Å; F272-L280 HydrophobicContact CE1-CD2 4.23Å; F272-L280 HydrophobicContact CZ-CD1 4.33Å; F272-L280 HydrophobicContact CZ-CD2 3.85Å; P277-L280 HydrophobicContact CG-CD1 4.45Å; L280-A282 HydrophobicContact CG-CB 4.35Å; L280-L287 HydrophobicContact CD2-CD1 4.22Å; L280-L296 HydrophobicContact CD2-CD1 4.1Å |
| 281 | V | 97.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.8 | 169.5 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | V230 V232 A238 V241 A242 T256 S257 T258 V259 | V230-V281 HydrophobicContact CB-CG1 4.34Å; V230-V281 HydrophobicContact CB-CG2 4.28Å; V230-V281 CarbonylContact O-C 3.54Å; V230-V281 WeakPolarHBondContact O-CA 3.31Å; V232-V281 HydrophobicContact CG1-CG1 4.48Å; V232-V281 HydrophobicContact CG2-CG1 4.09Å; A238-V281 HydrophobicContact CB-CG1 3.92Å; V241-V281 HydrophobicContact CB-CG1 4.16Å; V241-V281 HydrophobicContact CG1-CG1 4.12Å; V241-V281 HydrophobicContact CG1-CG2 4.09Å; A242-V281 HydrophobicContact CB-CB 4.39Å; A242-V281 HydrophobicContact CB-CG2 4.09Å; T256-V281 HydrophobicContact CG2-CG2 4.19Å; S257-V281 PolarHBondContact O-N 2.93Å; T258-V281 CarbonylContact C-O 3.52Å; T258-V281 VanDerWaalsContact CA-O 3.23Å; T258-V281 WeakPolarHBondContact CA-O 3.29Å; T258-V281 HydrophobicContact CG2-CB 4.31Å; V259-V281 PolarHBondContact N-O 3.06Å |
| 282 | A | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L229 V230 V231 V232 V259 L280 L287 | L229-A282 HydrophobicContact CD1-CB 4.18Å; V230-A282 PolarHBondContact O-N 3Å; V231-A282 WeakPolarHBondContact CA-O 3.39Å; V232-A282 PolarHBondContact N-O 3.03Å; V259-A282 HydrophobicContact CB-CB 4.2Å; V259-A282 WeakPolarHBondContact O-CA 3.28Å; L280-A282 HydrophobicContact CG-CB 4.35Å; A282-L287 HydrophobicContact CB-CB 4.18Å; A282-L287 HydrophobicContact CB-CD1 4.25Å |
| 283 | T | 93.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | trans | -87.9 | 143.7 | 167.4 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | V232 R235 V259 G260 G261 G285 A286 L287 | V232-T283 WeakPolarHBondContact O-CA 3.36Å; R235-T283 HydrophobicContact CG-CG2 3.78Å; V259-T283 PolarHBondContact O-N 3.18Å; G260-T283 WeakPolarHBondContact CA-OG1 3.48Å; G261-T283 PolarHBondContact N-OG1 3.19Å; T283-G285 PolarHBondContact O-N 3.41Å; T283-A286 PolarHBondContact O-N 2.84Å; T283-A286 VanDerWaalsContact O-N 3.1Å; T283-L287 PolarHBondContact O-N 3.22Å | ||
| 284 | P | 93.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.4 | -50 | -169.8 | -29.5 | 36 | 0 | 0 | 0 | 114.3 | V231 V232 A286 L287 V288 M312 F317 L320 I324 | V231-P284 HydrophobicContact CG1-CG 3.75Å; V232-P284 VanDerWaalsContact O-CD 3.29Å; V232-P284 WeakPolarHBondContact O-CD 3.35Å; P284-A286 VanDerWaalsContact C-N 3.29Å; P284-A286 PolarHBondContact O-N 3.33Å; P284-L287 WeakPolarHBondContact O-CB 3.42Å; P284-L287 PolarHBondContact O-N 2.91Å; P284-L287 VanDerWaalsContact O-N 3.14Å; P284-V288 WeakPolarHBondContact O-CG2 3.47Å; P284-V288 PolarHBondContact O-N 3.28Å; P284-M312 HydrophobicContact CB-CE 4.47Å; P284-M312 HydrophobicContact CG-CE 3.42Å; P284-M312 VanDerWaalsContact CG-CE 3.42Å; P284-M312 HydrophobicContact CG-SD 3.69Å; P284-F317 HydrophobicContact CB-CD1 4.33Å; P284-F317 HydrophobicContact CG-CD1 3.99Å; P284-F317 HydrophobicContact CG-CE1 4.46Å; P284-L320 HydrophobicContact CB-CB 3.93Å; P284-L320 HydrophobicContact CB-CD1 4.08Å; P284-I324 HydrophobicContact CB-CD1 4Å |
| 285 | G | 92.2 | Very high | 91.5 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 41% | 0.412 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.3 | -33 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T283 K289 | T283-G285 PolarHBondContact O-N 3.41Å; G285-K289 VanDerWaalsContact O-CB 3.28Å; G285-K289 WeakPolarHBondContact O-CB 3.2Å; G285-K289 PolarHBondContact O-N 3.46Å |
| 286 | A | 91.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.5 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V259 G260 T283 P284 K289 G290 | V259-A286 HydrophobicContact CG1-CB 3.74Å; G260-A286 VanDerWaalsContact C-CB 3.5Å; T283-A286 PolarHBondContact O-N 2.84Å; T283-A286 VanDerWaalsContact O-N 3.1Å; P284-A286 VanDerWaalsContact C-N 3.29Å; P284-A286 PolarHBondContact O-N 3.33Å; A286-K289 PolarHBondContact O-N 3.45Å; A286-G290 PolarHBondContact O-N 3.17Å |
| 287 | L | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -52.8 | 177.2 | -174.7 | 65.3 | 0 | 0 | 0 | 111.2 | L229 V231 L280 A282 T283 P284 K289 G290 L291 L296 I324 | L229-L287 HydrophobicContact CD1-CD1 4.22Å; L229-L287 HydrophobicContact CD1-CD2 4.08Å; L229-L287 HydrophobicContact CD2-CD1 4.3Å; L229-L287 HydrophobicContact CD2-CD2 3.47Å; L229-L287 VanDerWaalsContact CD2-CD2 3.47Å; L229-L287 HydrophobicContact CG-CD2 4.32Å; V231-L287 HydrophobicContact CG2-CD2 4.13Å; L280-L287 HydrophobicContact CD2-CD1 4.22Å; A282-L287 HydrophobicContact CB-CB 4.18Å; A282-L287 HydrophobicContact CB-CD1 4.25Å; T283-L287 PolarHBondContact O-N 3.22Å; P284-L287 WeakPolarHBondContact O-CB 3.42Å; P284-L287 PolarHBondContact O-N 2.91Å; P284-L287 VanDerWaalsContact O-N 3.14Å; L287-K289 VanDerWaalsContact C-N 3.27Å; L287-K289 PolarHBondContact O-N 2.65Å; L287-G290 CarbonylContact O-C 3.59Å; L287-G290 WeakPolarHBondContact O-CA 3.42Å; L287-G290 PolarHBondContact O-N 3.17Å; L287-L291 HydrophobicContact CG-CD1 4.44Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 3.23Å; L287-L296 HydrophobicContact CD1-CD1 3.54Å; L287-I324 HydrophobicContact CB-CD1 4.44Å; L287-I324 HydrophobicContact CD2-CB 4.38Å; L287-I324 HydrophobicContact CD2-CD1 3.7Å; L287-I324 HydrophobicContact CD2-CG1 3.71Å; L287-I324 HydrophobicContact CD2-CG2 3.71Å; L287-I324 HydrophobicContact CG-CD1 4.41Å; L287-I324 HydrophobicContact CG-CG1 4.25Å |
| 288 | V | 94.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55 | -43.5 | 174.9 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | P284 G290 L291 R292 L320 E323 I324 | P284-V288 WeakPolarHBondContact O-CG2 3.47Å; P284-V288 PolarHBondContact O-N 3.28Å; V288-G290 VanDerWaalsContact C-N 3.27Å; V288-G290 PolarHBondContact O-N 3.14Å; V288-L291 PolarHBondContact O-N 3.34Å; V288-R292 HydrophobicContact CG1-CG 4.33Å; V288-R292 WeakPolarHBondContact O-CG 3.42Å; V288-R292 PolarHBondContact O-N 3.46Å; V288-L320 HydrophobicContact CB-CD2 4.24Å; V288-L320 HydrophobicContact CG1-CD2 4.19Å; V288-L320 HydrophobicContact CG2-CB 4.21Å; V288-L320 HydrophobicContact CG2-CD2 3.98Å; V288-E323 WeakPolarHBondContact CG1-OE1 3.37Å; V288-E323 WeakPolarHBondContact CG1-OE2 3.38Å; V288-E323 HydrophobicContact CG2-CB 4.5Å; V288-I324 HydrophobicContact CG2-CD1 4.08Å; V288-I324 HydrophobicContact CG2-CG1 3.8Å |
| 289 | K | 93.4 | Very high | 92.5 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 42% | 0.422 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -36.5 | 175.6 | -169.1 | 177.4 | -162 | -178.5 | 0 | 112.6 | V265 I268 G285 A286 L287 R293 | V265-K289 HydrophobicContact CG2-CD 3.89Å; V265-K289 HydrophobicContact CG2-CG 4.38Å; I268-K289 HydrophobicContact CD1-CB 4.38Å; I268-K289 HydrophobicContact CD1-CD 4.31Å; I268-K289 HydrophobicContact CD1-CG 4.42Å; G285-K289 VanDerWaalsContact O-CB 3.28Å; G285-K289 WeakPolarHBondContact O-CB 3.2Å; G285-K289 PolarHBondContact O-N 3.46Å; A286-K289 PolarHBondContact O-N 3.45Å; L287-K289 VanDerWaalsContact C-N 3.27Å; L287-K289 PolarHBondContact O-N 2.65Å; K289-R293 WeakPolarHBondContact O-CB 3.43Å; K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 3.25Å |
| 290 | G | 92 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.2 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A286 L287 V288 R293 N294 C295 | A286-G290 PolarHBondContact O-N 3.17Å; L287-G290 CarbonylContact O-C 3.59Å; L287-G290 WeakPolarHBondContact O-CA 3.42Å; L287-G290 PolarHBondContact O-N 3.17Å; V288-G290 VanDerWaalsContact C-N 3.27Å; V288-G290 PolarHBondContact O-N 3.14Å; G290-R293 CarbonylContact O-C 3.52Å; G290-R293 PolarHBondContact O-N 3.18Å; G290-N294 PolarHBondContact O-N 3.47Å; G290-C295 WeakPolarHBondContact O-CB 3.19Å; G290-C295 PolarHBondContact O-N 2.91Å |
| 291 | L | 92.6 | Very high | 92 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -53.2 | 177.4 | -66.1 | 170.6 | 0 | 0 | 0 | 111.5 | L287 V288 R293 N294 L296 L298 I324 | L287-L291 HydrophobicContact CG-CD1 4.44Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 3.23Å; V288-L291 PolarHBondContact O-N 3.34Å; L291-R293 PolarHBondContact O-N 3.06Å; L291-N294 PolarHBondContact O-N 3.48Å; L291-N294 PolarHBondContact O-OD1 2.94Å; L291-L296 HydrophobicContact CD2-CD1 4.25Å; L291-L296 HydrophobicContact CD2-CG 4.07Å; L291-L298 HydrophobicContact CD1-CD1 3.94Å; L291-L298 HydrophobicContact CD2-CD1 3.83Å; L291-L298 HydrophobicContact CD2-CG 3.78Å; L291-L298 HydrophobicContact CG-CD1 4.45Å; L291-I324 HydrophobicContact CD1-CG1 4.44Å |
| 292 | R | 93.5 | Very high | 91.9 | Very high | 168 Ų | 168 | 45.8 Ų | 45.8 | 63% | 0.634 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -19.4 | 178.7 | -67.3 | 179.7 | -176 | -177.9 | 1.5 | 114.1 | V288 E323 | V288-R292 HydrophobicContact CG1-CG 4.33Å; V288-R292 WeakPolarHBondContact O-CG 3.42Å; V288-R292 PolarHBondContact O-N 3.46Å; R292-E323 WeakPolarHBondContact CG-OE1 3.33Å; R292-E323 IonicContact CZ-OE1 2.82Å; R292-E323 IonicContact CZ-OE2 3.47Å; R292-E323 IonicContact NE-OE1 3.38Å; R292-E323 PolarHBondContact NE-OE1 3.37Å; R292-E323 IonicContact NE-OE2 3.54Å; R292-E323 PolarHBondContact NE-OE2 3.06Å; R292-E323 IonicContact NH2-OE1 2.9Å; R292-E323 IonicContact NH2-OE2 3.61Å; R292-E323 PolarHBondContact NH2-OE2 3.48Å |
| 293 | R | 90.6 | Very high | 92 | Very high | 170 Ų | 170 | 45.8 Ų | 45.8 | 64% | 0.642 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 10 | 178.1 | -65.5 | -70.5 | -172.7 | 165.6 | -0.1 | 112.2 | K289 G290 L291 C295 | K289-R293 WeakPolarHBondContact O-CB 3.43Å; K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 3.25Å; G290-R293 CarbonylContact O-C 3.52Å; G290-R293 PolarHBondContact O-N 3.18Å; L291-R293 PolarHBondContact O-N 3.06Å; R293-C295 PolarHBondContact O-N 2.84Å; R293-C295 VanDerWaalsContact O-N 3.17Å; R293-C295 PolarHBondContact O-SG 3.02Å |
| 294 | N | 89.3 | Confident | 92.2 | Very high | 151 Ų | 151 | 45.1 Ų | 45.1 | 81% | 0.807 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 39.1 | -177.6 | -58.6 | -29.1 | 0 | 0 | 0 | 112.6 | G290 L291 | G290-N294 PolarHBondContact O-N 3.47Å; L291-N294 PolarHBondContact O-N 3.48Å; L291-N294 PolarHBondContact O-OD1 2.94Å |
| 295 | C | 87.6 | Confident | 92.4 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 14% | 0.142 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -87.1 | -17 | 178.8 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | I268 F272 G290 R293 | I268-C295 HydrophobicContact CG2-CB 4.16Å; F272-C295 VanDerWaalsContact CD2-O 3.32Å; F272-C295 WeakPolarHBondContact CD2-O 3.42Å; G290-C295 WeakPolarHBondContact O-CB 3.19Å; G290-C295 PolarHBondContact O-N 2.91Å; R293-C295 PolarHBondContact O-N 2.84Å; R293-C295 VanDerWaalsContact O-N 3.17Å; R293-C295 PolarHBondContact O-SG 3.02Å |
| 296 | L | 89.3 | Confident | 92.7 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | trans | -152.6 | 162.9 | 177 | 66.8 | 144.6 | 0 | 0 | 0 | 110 | I226 F272 L280 L287 L291 L298 | I226-L296 HydrophobicContact CD1-CB 3.89Å; I226-L296 HydrophobicContact CD1-CD1 3.86Å; F272-L296 HydrophobicContact CD2-CB 4.45Å; F272-L296 HydrophobicContact CE1-CB 4.23Å; F272-L296 HydrophobicContact CE2-CB 4.01Å; F272-L296 HydrophobicContact CE2-CD2 4.02Å; F272-L296 HydrophobicContact CZ-CB 3.89Å; F272-L296 HydrophobicContact CZ-CD1 4.38Å; F272-L296 HydrophobicContact CZ-CD2 4.25Å; F272-L296 HydrophobicContact CZ-CG 4.39Å; L280-L296 HydrophobicContact CD2-CD1 4.1Å; L287-L296 HydrophobicContact CD1-CD1 3.54Å; L291-L296 HydrophobicContact CD2-CD1 4.25Å; L291-L296 HydrophobicContact CD2-CG 4.07Å; L296-L298 HydrophobicContact CD1-CD2 3.65Å; L296-L298 HydrophobicContact CD1-CG 4.37Å | ||
| 297 | D | 89.1 | Confident | 92.8 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | trans | -126.6 | 143 | 174.6 | -174.2 | 13.1 | 0 | 0 | 0 | 110 | S299 | D297-S299 VanDerWaalsContact CG-OG 3.23Å; D297-S299 WeakPolarHBondContact OD1-CB 3.45Å; D297-S299 PolarHBondContact OD1-N 3.4Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; D297-S299 PolarHBondContact OD2-OG 3.21Å | ||
| 298 | L | 92.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -114.5 | 2.4 | 179.9 | -55.5 | -178.5 | 0 | 0 | 0 | 112.6 | L229 L291 L296 E300 L301 I324 H327 | L229-L298 HydrophobicContact CD2-CD1 3.91Å; L229-L298 HydrophobicContact CD2-CD2 3.88Å; L291-L298 HydrophobicContact CD1-CD1 3.94Å; L291-L298 HydrophobicContact CD2-CD1 3.83Å; L291-L298 HydrophobicContact CD2-CG 3.78Å; L291-L298 HydrophobicContact CG-CD1 4.45Å; L296-L298 HydrophobicContact CD1-CD2 3.65Å; L296-L298 HydrophobicContact CD1-CG 4.37Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.37Å; L298-L301 HydrophobicContact CB-CD1 3.84Å; L298-L301 HydrophobicContact CB-CG 4.18Å; L298-L301 HydrophobicContact CD2-CD1 4Å; L298-L301 HydrophobicContact CD2-CG 4.35Å; L298-L301 HydrophobicContact CG-CD1 4.33Å; L298-L301 WeakPolarHBondContact O-CG 3.33Å; L298-L301 PolarHBondContact O-N 3.15Å; L298-I324 HydrophobicContact CD1-CG2 4.25Å; L298-H327 CarbonylContact C-O 3.5Å; L298-H327 HydrophobicContact CB-CB 4.42Å; L298-H327 HydrophobicContact CD1-CB 4.33Å | ||
| 299 | S | 88.4 | Confident | 92.5 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 36% | 0.357 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.4 | -175.3 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | D297 | D297-S299 VanDerWaalsContact CG-OG 3.23Å; D297-S299 WeakPolarHBondContact OD1-CB 3.45Å; D297-S299 PolarHBondContact OD1-N 3.4Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; D297-S299 PolarHBondContact OD2-OG 3.21Å |
| 300 | E | 87.9 | Confident | 92.1 | Very high | 95 Ų | 95 | 39.7 Ų | 39.7 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 19.1 | -176.3 | -58.3 | -167.6 | 147.5 | 0 | 0 | 114 | R225 L298 N302 H342 | R225-E300 WeakPolarHBondContact CD-OE2 3.36Å; R225-E300 IonicContact CZ-OE2 3.9Å; R225-E300 IonicContact NE-OE2 3.26Å; R225-E300 VanDerWaalsContact NH1-CD 3.35Å; R225-E300 IonicContact NH1-OE1 3.04Å; R225-E300 IonicContact NH1-OE2 3.94Å; R225-E300 PolarHBondContact NH1-OE2 3.47Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.37Å; E300-N302 PolarHBondContact O-N 3.19Å; E300-H342 PolarHBondContact O-NE2 3.29Å |
| 301 | L | 93.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -59.6 | 138.3 | 177.4 | -78.8 | 179.2 | 0 | 0 | 0 | 111.7 | I226 L229 L298 A328 H342 T344 | I226-L301 HydrophobicContact CB-CD2 4.42Å; I226-L301 HydrophobicContact CG2-CD2 3.88Å; L229-L301 HydrophobicContact CB-CD1 3.93Å; L229-L301 HydrophobicContact CB-CD2 3.99Å; L229-L301 HydrophobicContact CD2-CD1 4.28Å; L298-L301 HydrophobicContact CB-CD1 3.84Å; L298-L301 HydrophobicContact CB-CG 4.18Å; L298-L301 HydrophobicContact CD2-CD1 4Å; L298-L301 HydrophobicContact CD2-CG 4.35Å; L298-L301 HydrophobicContact CG-CD1 4.33Å; L298-L301 WeakPolarHBondContact O-CG 3.33Å; L298-L301 PolarHBondContact O-N 3.15Å; L301-A328 HydrophobicContact CD1-CB 4.34Å; L301-H342 PolarHBondContact O-CD2 3.08Å; L301-H342 PolarHBondContact O-NE2 3.15Å; L301-T344 HydrophobicContact CB-CG2 3.95Å; L301-T344 VanDerWaalsContact CB-OG1 3.29Å; L301-T344 WeakPolarHBondContact CB-OG1 3.48Å; L301-T344 PolarHBondContact O-OG1 3.47Å | ||
| 302 | N | 94.9 | Very high | 91.6 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -84.7 | -36.2 | 165.3 | -62.8 | 100.3 | 0 | 0 | 0 | 110.7 | L214 R227 E300 H342 Q345 | L214-N302 HydrophobicContact CD2-CB 4.38Å; R227-N302 WeakPolarHBondContact O-CA 3.21Å; R227-N302 WeakPolarHBondContact O-CB 3.46Å; R227-N302 PolarHBondContact O-N 3.16Å; E300-N302 PolarHBondContact O-N 3.19Å; N302-H342 PolarHBondContact ND2-CD2 3.14Å; N302-H342 PolarHBondContact ND2-CE1 2.92Å; N302-H342 PolarHBondContact ND2-NE2 3.46Å; N302-H342 VanDerWaalsContact ND2-NE2 3.11Å; N302-Q345 PolarHBondContact O-N 3.45Å |
| 303 | F | 97.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 135.9 | -175.3 | -57.5 | -88 | 0 | 0 | 0 | 112.5 | V210 R213 L214 R227 A228 L229 Q345 | V210-F303 HydrophobicContact CB-CD2 4.49Å; V210-F303 HydrophobicContact CB-CG 4.49Å; V210-F303 HydrophobicContact CG1-CB 4.49Å; V210-F303 HydrophobicContact CG1-CD2 3.95Å; V210-F303 HydrophobicContact CG1-CE2 4.4Å; V210-F303 HydrophobicContact CG1-CG 4.19Å; V210-F303 HydrophobicContact CG2-CB 4.19Å; V210-F303 HydrophobicContact CG2-CD1 3.73Å; V210-F303 HydrophobicContact CG2-CD2 4.27Å; V210-F303 HydrophobicContact CG2-CE1 4.12Å; V210-F303 HydrophobicContact CG2-CG 3.8Å; R213-F303 HydrophobicContact CB-CE2 4Å; R213-F303 HydrophobicContact CB-CZ 3.61Å; R213-F303 HydrophobicContact CG-CZ 4.14Å; L214-F303 HydrophobicContact CD2-CD2 4.27Å; L214-F303 HydrophobicContact CD2-CE2 4.16Å; L214-F303 HydrophobicContact CG-CE2 4.41Å; R227-F303 PolarHBondContact O-N 3.05Å; A228-F303 WeakPolarHBondContact CA-O 3.08Å; A228-F303 HydrophobicContact CB-CB 4.04Å; A228-F303 HydrophobicContact CB-CD2 4.35Å; L229-F303 PolarHBondContact N-O 3.01Å; F303-Q345 WeakPolarHBondContact CA-O 3.31Å; F303-Q345 HydrophobicContact CD1-CB 4.03Å; F303-Q345 HydrophobicContact CE1-CB 4.34Å |
| 304 | L | 98 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 116.8 | 164.5 | 179 | 66.6 | 0 | 0 | 0 | 108.9 | L229 V231 I324 L325 A328 I330 T344 Q345 L346 L347 | L229-L304 HydrophobicContact CB-CD1 3.92Å; L229-L304 HydrophobicContact CD2-CD1 3.43Å; L229-L304 VanDerWaalsContact CD2-CD1 3.43Å; L229-L304 HydrophobicContact CG-CD1 3.67Å; L229-L304 WeakPolarHBondContact O-CA 3.44Å; V231-L304 HydrophobicContact CG2-CD1 3.92Å; L304-I324 HydrophobicContact CD1-CG2 4.42Å; L304-L325 HydrophobicContact CD2-CD2 3.45Å; L304-L325 VanDerWaalsContact CD2-CD2 3.45Å; L304-L325 HydrophobicContact CD2-CG 4.42Å; L304-A328 HydrophobicContact CD2-CB 3.88Å; L304-I330 HydrophobicContact CB-CD1 4.46Å; L304-I330 HydrophobicContact CD2-CD1 4.02Å; L304-T344 HydrophobicContact CB-CG2 3.59Å; L304-Q345 PolarHBondContact N-O 3.46Å; L304-L346 HydrophobicContact CB-CD1 4.32Å; L304-L346 HydrophobicContact CD2-CD1 3.97Å; L304-L346 HydrophobicContact CG-CD1 4.13Å; L304-L346 WeakPolarHBondContact O-CA 3.23Å; L304-L347 PolarHBondContact O-N 2.97Å |
| 305 | V | 98.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.1 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | Y206 L229 V230 V231 L347 I349 | Y206-V305 HydrophobicContact CD1-CG1 4.08Å; Y206-V305 HydrophobicContact CD2-CB 4.36Å; Y206-V305 HydrophobicContact CD2-CG1 3.77Å; Y206-V305 HydrophobicContact CD2-CG2 3.95Å; Y206-V305 HydrophobicContact CE1-CG1 4.16Å; Y206-V305 HydrophobicContact CE2-CG1 3.91Å; Y206-V305 HydrophobicContact CE2-CG2 4.47Å; Y206-V305 HydrophobicContact CG-CG1 3.86Å; Y206-V305 HydrophobicContact CG-CG2 4.49Å; L229-V305 PolarHBondContact O-N 3.5Å; V230-V305 HydrophobicContact CB-CB 4.34Å; V230-V305 HydrophobicContact CG1-CB 4.11Å; V230-V305 HydrophobicContact CG1-CG1 4.23Å; V230-V305 HydrophobicContact CG2-CB 4.12Å; V230-V305 HydrophobicContact CG2-CG2 4.2Å; V231-V305 PolarHBondContact N-O 3.1Å; V305-L347 CarbonylContact C-O 3.56Å; V305-L347 VanDerWaalsContact CA-O 3.28Å; V305-L347 WeakPolarHBondContact CA-O 3.42Å; V305-L347 HydrophobicContact CG1-CB 4.34Å; V305-L347 HydrophobicContact CG2-CB 4.17Å; V305-L347 HydrophobicContact CG2-CD1 4.08Å; V305-L347 HydrophobicContact CG2-CG 4.49Å; V305-I349 HydrophobicContact CG1-CG1 4.07Å |
| 306 | V | 97.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 106.5 | 168.4 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | M312 F313 L321 L347 L348 I349 | V306-M312 HydrophobicContact CG1-CB 3.62Å; V306-M312 HydrophobicContact CG1-CE 4.21Å; V306-M312 HydrophobicContact CG1-CG 3.82Å; V306-F313 HydrophobicContact CG1-CE2 4.24Å; V306-L321 HydrophobicContact CG1-CD1 4.33Å; V306-L321 HydrophobicContact CG1-CD2 4.26Å; V306-L321 HydrophobicContact CG2-CD1 3.89Å; V306-L347 PolarHBondContact N-O 3.37Å; V306-L348 HydrophobicContact CB-CD2 3.64Å; V306-L348 HydrophobicContact CG1-CD2 4.5Å; V306-L348 HydrophobicContact CG2-CD2 3.62Å; V306-I349 PolarHBondContact O-N 2.94Å |
| 307 | D | 94.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 151.5 | -179.8 | -159.6 | 0.7 | 0 | 0 | 0 | 110.6 | Y206 V231 V232 A309 M312 I349 | Y206-D307 HydrophobicContact CE1-CB 4.43Å; Y206-D307 WeakPolarHBondContact CE1-OD2 3.42Å; Y206-D307 PolarHBondContact OH-OD2 3.36Å; V231-D307 PolarHBondContact O-N 3.32Å; V232-D307 HydrophobicContact CG1-CB 3.99Å; D307-A309 VanDerWaalsContact C-N 3.29Å; D307-M312 WeakPolarHBondContact O-CG 3.48Å; D307-I349 CarbonylContact C-O 3.41Å |
| 308 | E | 90.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 50.1 | 49.2 | -163.2 | -57.7 | -86.1 | -144.7 | 0 | 0 | 111.3 | P233 L237 D310 T311 M312 I349 G477 | P233-E308 HydrophobicContact CG-CB 3.78Å; P233-E308 HydrophobicContact CG-CG 4.06Å; L237-E308 HydrophobicContact CD2-CG 3.55Å; E308-D310 PolarHBondContact O-N 3.42Å; E308-D310 VanDerWaalsContact O-N 3.15Å; E308-T311 WeakPolarHBondContact O-CB 3.32Å; E308-T311 PolarHBondContact O-N 3.49Å; E308-M312 PolarHBondContact O-N 3.41Å; E308-I349 PolarHBondContact N-O 2.88Å; E308-G477 VanDerWaalsContact OE1-CA 3.25Å; E308-G477 WeakPolarHBondContact OE1-CA 3.46Å; E308-G477 PolarHBondContact OE1-N 3.27Å |
| 309 | A | 90.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.3 | -38 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D307 T311 M312 F313 I349 P354 | D307-A309 VanDerWaalsContact C-N 3.29Å; A309-T311 PolarHBondContact O-N 3.42Å; A309-M312 PolarHBondContact O-N 2.91Å; A309-M312 VanDerWaalsContact O-N 3.1Å; A309-F313 HydrophobicContact CB-CD2 4.27Å; A309-F313 HydrophobicContact CB-CE2 4.25Å; A309-F313 VanDerWaalsContact O-CD2 3.24Å; A309-F313 WeakPolarHBondContact O-CD2 3.2Å; A309-F313 PolarHBondContact O-N 3.1Å; A309-I349 WeakPolarHBondContact CB-O 3.21Å; A309-I349 PolarHBondContact N-O 3.44Å; A309-P354 HydrophobicContact CB-CG 3.73Å; A309-P354 WeakPolarHBondContact O-CB 3.48Å |
| 310 | D | 85.4 | Confident | 89.8 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.2 | -36.5 | 173.8 | 51.8 | -76.2 | 0 | 0 | 0 | 113.8 | E308 G350 A351 T352 H500 | E308-D310 PolarHBondContact O-N 3.42Å; E308-D310 VanDerWaalsContact O-N 3.15Å; D310-G350 WeakPolarHBondContact OD1-CA 3.47Å; D310-A351 PolarHBondContact OD1-N 3.4Å; D310-T352 WeakPolarHBondContact CB-OG1 3.25Å; D310-H500 IonicContact OD2-CE1 2.82Å; D310-H500 PolarHBondContact OD2-CE1 2.78Å; D310-H500 IonicContact OD2-ND1 3.98Å; D310-H500 IonicContact OD2-NE2 3.61Å |
| 311 | T | 86.1 | Confident | 90 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84.9 | -36.1 | 173.5 | -61.8 | 0 | 0 | 0 | 0 | 112 | P233 E308 A309 F313 D314 F317 R476 | P233-T311 HydrophobicContact CB-CG2 3.83Å; P233-T311 HydrophobicContact CG-CG2 4.36Å; E308-T311 WeakPolarHBondContact O-CB 3.32Å; E308-T311 PolarHBondContact O-N 3.49Å; A309-T311 PolarHBondContact O-N 3.42Å; T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 PolarHBondContact O-N 3.42Å; T311-D314 WeakPolarHBondContact O-CB 3.39Å; T311-D314 PolarHBondContact O-N 2.82Å; T311-F317 HydrophobicContact CG2-CD2 4.34Å; T311-F317 HydrophobicContact CG2-CE2 3.98Å; T311-F317 WeakPolarHBondContact O-CD2 3.49Å; T311-R476 VanDerWaalsContact CG2-NH1 3.33Å; T311-R476 WeakPolarHBondContact OG1-CD 3.4Å; T311-R476 PolarHBondContact OG1-NH1 3.21Å |
| 312 | M | 88.8 | Confident | 90 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71 | -21.4 | -173.6 | -81.3 | -64.4 | -49.7 | 0 | 0 | 114.4 | V231 P233 P284 V306 D307 E308 A309 F317 L321 | V231-M312 HydrophobicContact CG1-CE 3.59Å; V231-M312 HydrophobicContact CG1-SD 4.32Å; P233-M312 HydrophobicContact CB-SD 4.19Å; P284-M312 HydrophobicContact CB-CE 4.47Å; P284-M312 HydrophobicContact CG-CE 3.42Å; P284-M312 VanDerWaalsContact CG-CE 3.42Å; P284-M312 HydrophobicContact CG-SD 3.69Å; V306-M312 HydrophobicContact CG1-CB 3.62Å; V306-M312 HydrophobicContact CG1-CE 4.21Å; V306-M312 HydrophobicContact CG1-CG 3.82Å; D307-M312 WeakPolarHBondContact O-CG 3.48Å; E308-M312 PolarHBondContact O-N 3.41Å; A309-M312 PolarHBondContact O-N 2.91Å; A309-M312 VanDerWaalsContact O-N 3.1Å; M312-F317 HydrophobicContact CE-CB 4.45Å; M312-F317 VanDerWaalsContact O-CB 3.25Å; M312-F317 WeakPolarHBondContact O-CB 3.39Å; M312-F317 HydrophobicContact SD-CG 4.41Å; M312-L321 HydrophobicContact CE-CB 4.4Å; M312-L321 HydrophobicContact CE-CD1 4.07Å; M312-L321 HydrophobicContact CE-CD2 4.37Å |
| 313 | F | 86.3 | Confident | 90 | Very high | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 0.5 | 175.7 | -75.2 | -101.7 | 0 | 0 | 0 | 113.4 | V306 A309 T311 L321 L348 P354 D355 V357 V360 L361 | V306-F313 HydrophobicContact CG1-CE2 4.24Å; A309-F313 HydrophobicContact CB-CD2 4.27Å; A309-F313 HydrophobicContact CB-CE2 4.25Å; A309-F313 VanDerWaalsContact O-CD2 3.24Å; A309-F313 WeakPolarHBondContact O-CD2 3.2Å; A309-F313 PolarHBondContact O-N 3.1Å; T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 PolarHBondContact O-N 3.42Å; F313-L321 HydrophobicContact CD1-CD2 4.15Å; F313-L321 HydrophobicContact CD2-CD2 3.81Å; F313-L321 HydrophobicContact CE1-CD2 3.94Å; F313-L321 HydrophobicContact CE2-CD2 3.59Å; F313-L321 HydrophobicContact CG-CD2 4.12Å; F313-L321 HydrophobicContact CZ-CD2 3.67Å; F313-L348 HydrophobicContact CE2-CD2 4.06Å; F313-L348 HydrophobicContact CZ-CD1 4.12Å; F313-L348 HydrophobicContact CZ-CD2 4.03Å; F313-P354 HydrophobicContact CB-CB 3.86Å; F313-P354 HydrophobicContact CD2-CB 4.19Å; F313-P354 HydrophobicContact CD2-CG 4.31Å; F313-P354 HydrophobicContact CG-CB 4.18Å; F313-D355 WeakPolarHBondContact CB-O 3.33Å; F313-V357 HydrophobicContact CD1-CB 4.28Å; F313-V357 HydrophobicContact CD1-CG2 3.97Å; F313-V357 HydrophobicContact CD2-CG2 4.4Å; F313-V357 HydrophobicContact CE1-CB 4.28Å; F313-V357 HydrophobicContact CE1-CG1 4.18Å; F313-V357 HydrophobicContact CE1-CG2 4.21Å; F313-V357 HydrophobicContact CG-CG2 4.05Å; F313-V357 HydrophobicContact CZ-CG1 4.41Å; F313-V360 HydrophobicContact CD1-CB 4.08Å; F313-V360 HydrophobicContact CD1-CG1 4.49Å; F313-V360 HydrophobicContact CD1-CG2 4.12Å; F313-V360 HydrophobicContact CE1-CB 3.84Å; F313-V360 HydrophobicContact CE1-CG1 4Å; F313-V360 HydrophobicContact CE1-CG2 4.38Å; F313-L361 HydrophobicContact CE1-CD2 4.28Å; F313-L361 HydrophobicContact CE1-CG 4.14Å; F313-L361 HydrophobicContact CZ-CD2 4.11Å; F313-L361 HydrophobicContact CZ-CG 4.26Å |
| 314 | D | 80.9 | Confident | 89.9 | Confident | 66 Ų | 66 | 33 Ų | 33 | 35% | 0.353 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -62.8 | 157.6 | 169.7 | -75.2 | -26 | 0 | 0 | 0 | 110.9 | T311 S316 F317 S318 R476 | T311-D314 WeakPolarHBondContact O-CB 3.39Å; T311-D314 PolarHBondContact O-N 2.82Å; D314-S316 PolarHBondContact O-N 3.4Å; D314-F317 PolarHBondContact O-N 3.28Å; D314-S318 PolarHBondContact O-N 3.24Å; D314-R476 IonicContact OD2-NH1 2.84Å |
| 315 | L | 75.5 | Confident | 89.7 | Confident | 169 Ų | 169 | 33 Ų | 33 | 89% | 0.885 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | -27.1 | -179 | -68.3 | 172.6 | 0 | 0 | 0 | 114 | F317 | L315-F317 VanDerWaalsContact C-N 3.32Å; L315-F317 PolarHBondContact O-N 3.03Å |
| 316 | S | 81 | Confident | 89.5 | Confident | 97 Ų | 97 | 37 Ų | 37 | 68% | 0.678 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -25.1 | 179.7 | -61.9 | 0 | 0 | 0 | 0 | 114 | D314 | D314-S316 PolarHBondContact O-N 3.4Š|
| 317 | F | 86 | Confident | 89.3 | Confident | 42 Ų | 42 | 41.1 Ų | 41.1 | 18% | 0.184 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -18.5 | -174.2 | -65.3 | -70.8 | 0 | 0 | 0 | 113.7 | P233 P284 T311 M312 D314 L315 D319 L320 L321 | P233-F317 HydrophobicContact CB-CE2 4.4Å; P233-F317 HydrophobicContact CB-CZ 4.4Å; P284-F317 HydrophobicContact CB-CD1 4.33Å; P284-F317 HydrophobicContact CG-CD1 3.99Å; P284-F317 HydrophobicContact CG-CE1 4.46Å; T311-F317 HydrophobicContact CG2-CD2 4.34Å; T311-F317 HydrophobicContact CG2-CE2 3.98Å; T311-F317 WeakPolarHBondContact O-CD2 3.49Å; M312-F317 HydrophobicContact CE-CB 4.45Å; M312-F317 VanDerWaalsContact O-CB 3.25Å; M312-F317 WeakPolarHBondContact O-CB 3.39Å; M312-F317 HydrophobicContact SD-CG 4.41Å; D314-F317 PolarHBondContact O-N 3.28Å; L315-F317 VanDerWaalsContact C-N 3.32Å; L315-F317 PolarHBondContact O-N 3.03Å; F317-D319 VanDerWaalsContact C-N 3.34Å; F317-D319 PolarHBondContact O-N 3.21Å; F317-L320 WeakPolarHBondContact O-CB 3.44Å; F317-L320 PolarHBondContact O-N 3.12Å; F317-L321 PolarHBondContact O-N 2.93Å |
| 318 | S | 87.4 | Confident | 89.2 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.1 | -47 | -173.4 | -173.8 | 0 | 0 | 0 | 0 | 113.6 | D314 L321 S322 V360 | D314-S318 PolarHBondContact O-N 3.24Å; S318-L321 PolarHBondContact O-N 3.4Å; S318-S322 WeakPolarHBondContact O-CB 3.39Å; S318-S322 PolarHBondContact O-N 3.14Å; S318-V360 VanDerWaalsContact OG-CG2 3.23Å; S318-V360 WeakPolarHBondContact OG-CG2 3.42Å |
| 319 | D | 90.8 | Very high | 89.3 | Confident | 132 Ų | 132 | 43.9 Ų | 43.9 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.3 | -43.2 | 179.2 | -68.2 | -25.6 | 0 | 0 | 0 | 112.4 | F317 L321 S322 E323 | F317-D319 VanDerWaalsContact C-N 3.34Å; F317-D319 PolarHBondContact O-N 3.21Å; D319-L321 VanDerWaalsContact C-N 3.3Å; D319-L321 PolarHBondContact O-N 3.28Å; D319-S322 PolarHBondContact O-N 3.47Å; D319-E323 PolarHBondContact O-N 3.36Å |
| 320 | L | 93.6 | Very high | 89.4 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 177.1 | -63.1 | 173.8 | 0 | 0 | 0 | 110.8 | P284 V288 F317 E323 I324 | P284-L320 HydrophobicContact CB-CB 3.93Å; P284-L320 HydrophobicContact CB-CD1 4.08Å; V288-L320 HydrophobicContact CB-CD2 4.24Å; V288-L320 HydrophobicContact CG1-CD2 4.19Å; V288-L320 HydrophobicContact CG2-CB 4.21Å; V288-L320 HydrophobicContact CG2-CD2 3.98Å; F317-L320 WeakPolarHBondContact O-CB 3.44Å; F317-L320 PolarHBondContact O-N 3.12Å; L320-E323 PolarHBondContact O-N 3.19Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.46Å; L320-I324 PolarHBondContact O-N 3.23Å |
| 321 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68 | -41.4 | 178.1 | -177.4 | 60.1 | 0 | 0 | 0 | 111.4 | V306 M312 F313 F317 S318 D319 E323 I324 L325 | V306-L321 HydrophobicContact CG1-CD1 4.33Å; V306-L321 HydrophobicContact CG1-CD2 4.26Å; V306-L321 HydrophobicContact CG2-CD1 3.89Å; M312-L321 HydrophobicContact CE-CB 4.4Å; M312-L321 HydrophobicContact CE-CD1 4.07Å; M312-L321 HydrophobicContact CE-CD2 4.37Å; F313-L321 HydrophobicContact CD1-CD2 4.15Å; F313-L321 HydrophobicContact CD2-CD2 3.81Å; F313-L321 HydrophobicContact CE1-CD2 3.94Å; F313-L321 HydrophobicContact CE2-CD2 3.59Å; F313-L321 HydrophobicContact CG-CD2 4.12Å; F313-L321 HydrophobicContact CZ-CD2 3.67Å; F317-L321 PolarHBondContact O-N 2.93Å; S318-L321 PolarHBondContact O-N 3.4Å; D319-L321 VanDerWaalsContact C-N 3.3Å; D319-L321 PolarHBondContact O-N 3.28Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 3.48Å; L321-I324 PolarHBondContact O-N 3.49Å; L321-L325 HydrophobicContact CD1-CD1 4.27Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 HydrophobicContact CG-CG 4.37Å; L321-L325 WeakPolarHBondContact O-CB 3.43Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.25Å; L321-L325 PolarHBondContact O-N 3.41Å |
| 322 | S | 92.6 | Very high | 90 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 175.6 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | S318 D319 S326 | S318-S322 WeakPolarHBondContact O-CB 3.39Å; S318-S322 PolarHBondContact O-N 3.14Å; D319-S322 PolarHBondContact O-N 3.47Å; S322-S326 PolarHBondContact O-N 3.2Å |
| 323 | E | 94.1 | Very high | 90 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 174.1 | -175.6 | 175.7 | 168.4 | 0 | 0 | 111.4 | V288 R292 D319 L320 L321 L325 S326 H327 | V288-E323 WeakPolarHBondContact CG1-OE1 3.37Å; V288-E323 WeakPolarHBondContact CG1-OE2 3.38Å; V288-E323 HydrophobicContact CG2-CB 4.5Å; R292-E323 WeakPolarHBondContact CG-OE1 3.33Å; R292-E323 IonicContact CZ-OE1 2.82Å; R292-E323 IonicContact CZ-OE2 3.47Å; R292-E323 IonicContact NE-OE1 3.38Å; R292-E323 PolarHBondContact NE-OE1 3.37Å; R292-E323 IonicContact NE-OE2 3.54Å; R292-E323 PolarHBondContact NE-OE2 3.06Å; R292-E323 IonicContact NH2-OE1 2.9Å; R292-E323 IonicContact NH2-OE2 3.61Å; R292-E323 PolarHBondContact NH2-OE2 3.48Å; D319-E323 PolarHBondContact O-N 3.36Å; L320-E323 PolarHBondContact O-N 3.19Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 3.48Å; E323-L325 VanDerWaalsContact C-N 3.32Å; E323-L325 PolarHBondContact O-N 2.81Å; E323-S326 PolarHBondContact O-N 3.36Å; E323-S326 PolarHBondContact O-OG 3.13Å; E323-H327 PolarHBondContact O-CD2 3.29Å |
| 324 | I | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.7 | -67.6 | 156.9 | 0 | 0 | 0 | 111.2 | L229 V231 P284 L287 V288 L291 L298 L304 L320 L321 S326 H327 | L229-I324 HydrophobicContact CD2-CG2 4.28Å; V231-I324 HydrophobicContact CG1-CD1 4.47Å; V231-I324 HydrophobicContact CG2-CG2 4.44Å; P284-I324 HydrophobicContact CB-CD1 4Å; L287-I324 HydrophobicContact CB-CD1 4.44Å; L287-I324 HydrophobicContact CD2-CB 4.38Å; L287-I324 HydrophobicContact CD2-CD1 3.7Å; L287-I324 HydrophobicContact CD2-CG1 3.71Å; L287-I324 HydrophobicContact CD2-CG2 3.71Å; L287-I324 HydrophobicContact CG-CD1 4.41Å; L287-I324 HydrophobicContact CG-CG1 4.25Å; V288-I324 HydrophobicContact CG2-CD1 4.08Å; V288-I324 HydrophobicContact CG2-CG1 3.8Å; L291-I324 HydrophobicContact CD1-CG1 4.44Å; L298-I324 HydrophobicContact CD1-CG2 4.25Å; L304-I324 HydrophobicContact CD1-CG2 4.42Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.46Å; L320-I324 PolarHBondContact O-N 3.23Å; L321-I324 PolarHBondContact O-N 3.49Å; I324-S326 VanDerWaalsContact C-N 3.33Å; I324-S326 PolarHBondContact O-N 3.17Å; I324-H327 PolarHBondContact O-N 2.85Å |
| 325 | L | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65 | -34.6 | -177.9 | -73.7 | 166.2 | 0 | 0 | 0 | 112.7 | L304 L321 E323 H327 A328 L346 V360 L361 V364 | L304-L325 HydrophobicContact CD2-CD2 3.45Å; L304-L325 VanDerWaalsContact CD2-CD2 3.45Å; L304-L325 HydrophobicContact CD2-CG 4.42Å; L321-L325 HydrophobicContact CD1-CD1 4.27Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 HydrophobicContact CG-CG 4.37Å; L321-L325 WeakPolarHBondContact O-CB 3.43Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.25Å; L321-L325 PolarHBondContact O-N 3.41Å; E323-L325 VanDerWaalsContact C-N 3.32Å; E323-L325 PolarHBondContact O-N 2.81Å; L325-H327 PolarHBondContact O-N 2.84Å; L325-A328 PolarHBondContact O-N 2.98Å; L325-L346 HydrophobicContact CD2-CD1 3.91Å; L325-L346 HydrophobicContact CD2-CD2 4.48Å; L325-V360 HydrophobicContact CD1-CG1 3.64Å; L325-L361 HydrophobicContact CD1-CD2 4.12Å; L325-V364 HydrophobicContact CB-CG1 4.21Å; L325-V364 HydrophobicContact CB-CG2 3.79Å; L325-V364 HydrophobicContact CD1-CG2 4.4Å |
| 326 | S | 93.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 59% | 0.594 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.3 | -22.3 | 178.7 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | S322 E323 I324 | S322-S326 PolarHBondContact O-N 3.2Å; E323-S326 PolarHBondContact O-N 3.36Å; E323-S326 PolarHBondContact O-OG 3.13Å; I324-S326 VanDerWaalsContact C-N 3.33Å; I324-S326 PolarHBondContact O-N 3.17Å |
| 327 | H | 93.2 | Very high | 92.2 | Very high | 87 Ų | 87 | 45.2 Ų | 45.2 | 40% | 0.403 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -8.1 | 176.5 | -74.3 | -75.8 | 0 | 0 | 0 | 114.1 | L298 E323 I324 L325 | L298-H327 CarbonylContact C-O 3.5Å; L298-H327 HydrophobicContact CB-CB 4.42Å; L298-H327 HydrophobicContact CD1-CB 4.33Å; E323-H327 PolarHBondContact O-CD2 3.29Å; I324-H327 PolarHBondContact O-N 2.85Å; L325-H327 PolarHBondContact O-N 2.84Å |
| 328 | A | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -98.9 | -0.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L301 L304 L325 I330 T344 | L301-A328 HydrophobicContact CD1-CB 4.34Å; L304-A328 HydrophobicContact CD2-CB 3.88Å; L325-A328 PolarHBondContact O-N 2.98Å; A328-I330 HydrophobicContact CB-CD1 3.73Å; A328-I330 PolarHBondContact O-N 3.29Å; A328-T344 WeakPolarHBondContact O-CB 3.35Å; A328-T344 PolarHBondContact O-OG1 3.5Å |
| 329 | N | 93 | Very high | 92 | Very high | 79 Ų | 79 | 51.5 Ų | 51.5 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | trans | 44.8 | 65.5 | 178.5 | -173 | 26.5 | 0 | 0 | 0 | 113.7 | K343 T344 | N329-K343 WeakPolarHBondContact O-CB 3.48Å; N329-T344 PolarHBondContact O-N 2.79Å | ||
| 330 | I | 94.5 | Very high | 91.4 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 137.2 | -172.7 | -56.5 | -53 | 0 | 0 | 0 | 111.6 | L304 A328 T344 L346 V364 T365 | L304-I330 HydrophobicContact CB-CD1 4.46Å; L304-I330 HydrophobicContact CD2-CD1 4.02Å; A328-I330 HydrophobicContact CB-CD1 3.73Å; A328-I330 PolarHBondContact O-N 3.29Å; I330-T344 HydrophobicContact CD1-CG2 3.85Å; I330-L346 HydrophobicContact CD1-CB 4.39Å; I330-L346 HydrophobicContact CG2-CB 3.86Å; I330-L346 HydrophobicContact CG2-CD2 4.37Å; I330-V364 HydrophobicContact CB-CG1 3.73Å; I330-V364 HydrophobicContact CG1-CG1 3.28Å; I330-V364 HydrophobicContact CG2-CG1 4.49Å; I330-T365 HydrophobicContact CG2-CG2 4.46Å |
| 331 | A | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -68.6 | 136.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N191 E336 T337 K343 T344 | N191-A331 PolarHBondContact ND2-O 3.44Å; A331-E336 HydrophobicContact CB-CB 4.14Å; A331-T337 HydrophobicContact CB-CG2 3.59Å; A331-K343 HydrophobicContact CB-CB 3.71Å; A331-T344 WeakPolarHBondContact CB-O 2.99Å; A331-T344 PolarHBondContact N-O 2.7Å | ||
| 332 | S | 89.8 | Confident | 90.7 | Very high | 37 Ų | 37 | 57 Ų | 57 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -90.6 | -30.4 | 172 | -69 | 0 | 0 | 0 | 0 | 111.6 | E336 K369 | S332-E336 PolarHBondContact N-OE2 3.21Å; S332-K369 WeakPolarHBondContact O-CD 2.94Å |
| 333 | D | 89.9 | Confident | 90.8 | Very high | 57 Ų | 57 | 58.5 Ų | 58.5 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -125 | 144.5 | -178.7 | -169.7 | -81.4 | 0 | 0 | 0 | 111.1 | K335 E336 | D333-K335 PolarHBondContact O-N 2.88Å; D333-K335 VanDerWaalsContact O-N 3.09Å; D333-K335 WeakPolarHBondContact OD1-CB 3.31Å; D333-K335 WeakPolarHBondContact OD1-CG 3.27Å; D333-K335 PolarHBondContact OD1-N 2.92Å; D333-E336 HydrophobicContact CB-CG 4.25Å; D333-E336 WeakPolarHBondContact O-CB 3.43Å; D333-E336 PolarHBondContact O-N 2.77Å |
| 334 | P | 91.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -52.9 | -31.8 | 177.4 | -27.5 | 34.2 | 0 | 0 | 0 | 114.7 | G189 H190 E336 T337 | G189-P334 WeakPolarHBondContact O-CA 3.46Å; H190-P334 WeakPolarHBondContact ND1-CG 3.42Å; P334-E336 VanDerWaalsContact C-N 3.26Å; P334-E336 PolarHBondContact O-N 2.83Å; P334-T337 PolarHBondContact O-N 2.85Å; P334-T337 PolarHBondContact O-OG1 2.85Å |
| 335 | K | 91.8 | Very high | 90.9 | Very high | 179 Ų | 179 | 56.6 Ų | 56.6 | 78% | 0.778 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -65.6 | -29.2 | 178.7 | -64.7 | 175.6 | -175.1 | 178.2 | 0 | 112.6 | D333 T337 | D333-K335 PolarHBondContact O-N 2.88Å; D333-K335 VanDerWaalsContact O-N 3.09Å; D333-K335 WeakPolarHBondContact OD1-CB 3.31Å; D333-K335 WeakPolarHBondContact OD1-CG 3.27Å; D333-K335 PolarHBondContact OD1-N 2.92Å; K335-T337 PolarHBondContact O-N 3.08Å |
| 336 | E | 92.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -72.2 | -15.2 | 178.6 | -59.7 | -178.8 | 166.6 | 0 | 0 | 112.2 | A331 S332 D333 P334 R338 H342 K343 | A331-E336 HydrophobicContact CB-CB 4.14Å; S332-E336 PolarHBondContact N-OE2 3.21Å; D333-E336 HydrophobicContact CB-CG 4.25Å; D333-E336 WeakPolarHBondContact O-CB 3.43Å; D333-E336 PolarHBondContact O-N 2.77Å; P334-E336 VanDerWaalsContact C-N 3.26Å; P334-E336 PolarHBondContact O-N 2.83Å; E336-R338 PolarHBondContact O-N 3.43Å; E336-H342 CarbonylContact O-C 3.56Å; E336-H342 WeakPolarHBondContact O-CA 3.42Å; E336-K343 HydrophobicContact CB-CB 4.3Å; E336-K343 HydrophobicContact CB-CD 4.47Å; E336-K343 HydrophobicContact CB-CG 4.4Å; E336-K343 PolarHBondContact O-N 3.14Å; E336-K343 IonicContact OE1-NZ 3.92Å; E336-K343 PolarHBondContact OE1-NZ 2.67Å; E336-K343 WeakPolarHBondContact OE2-CD 3.46Å; E336-K343 IonicContact OE2-NZ 2.66Å; E336-K343 PolarHBondContact OE2-NZ 2.74Å |
| 337 | T | 92.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -79.3 | 6.1 | -179.2 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | G189 R213 A331 P334 K335 Q345 | G189-T337 WeakPolarHBondContact CA-OG1 3.41Å; G189-T337 WeakPolarHBondContact O-CG2 3.31Å; R213-T337 PolarHBondContact NH2-O 3.39Å; A331-T337 HydrophobicContact CB-CG2 3.59Å; P334-T337 PolarHBondContact O-N 2.85Å; P334-T337 PolarHBondContact O-OG1 2.85Å; K335-T337 PolarHBondContact O-N 3.08Å; T337-Q345 HydrophobicContact CG2-CB 3.85Å; T337-Q345 HydrophobicContact CG2-CG 4.2Å |
| 338 | R | 87.2 | Confident | 91.4 | Very high | 141 Ų | 141 | 48.5 Ų | 48.5 | 53% | 0.532 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -141.5 | 156.6 | -172.8 | -60.3 | -179.2 | -178 | 179 | -3.2 | 110.8 | M187 E336 | M187-R338 PolarHBondContact O-NH2 3.5Å; E336-R338 PolarHBondContact O-N 3.43Å |
| 339 | G | 82.7 | Confident | 91.6 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 86.9 | -177.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H342 | G339-H342 PolarHBondContact O-N 3.26Š|
| 340 | L | 79.2 | Confident | 91.5 | Very high | 187 Ų | 187 | 44.9 Ų | 44.9 | 98% | 0.979 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 131.5 | 175.8 | -77.6 | 151.6 | 0 | 0 | 0 | 110.1 | ||
| 341 | G | 81.5 | Confident | 91.1 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 76% | 0.763 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 30.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 342 | H | 89.8 | Confident | 90.7 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -55 | 149.9 | 176.9 | 63.8 | -89.6 | 0 | 0 | 0 | 111.8 | E300 L301 N302 E336 G339 | E300-H342 PolarHBondContact O-NE2 3.29Å; L301-H342 PolarHBondContact O-CD2 3.08Å; L301-H342 PolarHBondContact O-NE2 3.15Å; N302-H342 PolarHBondContact ND2-CD2 3.14Å; N302-H342 PolarHBondContact ND2-CE1 2.92Å; N302-H342 PolarHBondContact ND2-NE2 3.46Å; N302-H342 VanDerWaalsContact ND2-NE2 3.11Å; E336-H342 CarbonylContact O-C 3.56Å; E336-H342 WeakPolarHBondContact O-CA 3.42Å; G339-H342 PolarHBondContact O-N 3.26Å |
| 343 | K | 94.2 | Very high | 90.4 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -99.4 | 161.2 | 169.5 | -63.9 | -165.3 | -164.4 | 155.7 | 0 | 111 | N329 A331 E336 | N329-K343 WeakPolarHBondContact O-CB 3.48Å; A331-K343 HydrophobicContact CB-CB 3.71Å; E336-K343 HydrophobicContact CB-CB 4.3Å; E336-K343 HydrophobicContact CB-CD 4.47Å; E336-K343 HydrophobicContact CB-CG 4.4Å; E336-K343 PolarHBondContact O-N 3.14Å; E336-K343 IonicContact OE1-NZ 3.92Å; E336-K343 PolarHBondContact OE1-NZ 2.67Å; E336-K343 WeakPolarHBondContact OE2-CD 3.46Å; E336-K343 IonicContact OE2-NZ 2.66Å; E336-K343 PolarHBondContact OE2-NZ 2.74Å |
| 344 | T | 96.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 128.7 | -175.2 | -61 | 0 | 0 | 0 | 0 | 111.9 | L301 L304 A328 N329 I330 A331 | L301-T344 HydrophobicContact CB-CG2 3.95Å; L301-T344 VanDerWaalsContact CB-OG1 3.29Å; L301-T344 WeakPolarHBondContact CB-OG1 3.48Å; L301-T344 PolarHBondContact O-OG1 3.47Å; L304-T344 HydrophobicContact CB-CG2 3.59Å; A328-T344 WeakPolarHBondContact O-CB 3.35Å; A328-T344 PolarHBondContact O-OG1 3.5Å; N329-T344 PolarHBondContact O-N 2.79Å; I330-T344 HydrophobicContact CD1-CG2 3.85Å; A331-T344 WeakPolarHBondContact CB-O 2.99Å; A331-T344 PolarHBondContact N-O 2.7Å |
| 345 | Q | 97.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.3 | 169.3 | -171.7 | 177 | -2.9 | 0 | 0 | 110.3 | V186 G189 H190 N302 F303 L304 T337 L347 | V186-Q345 PolarHBondContact O-NE2 2.91Å; V186-Q345 PolarHBondContact O-OE1 3.09Å; G189-Q345 VanDerWaalsContact C-NE2 3.29Å; H190-Q345 PolarHBondContact O-NE2 3.33Å; N302-Q345 PolarHBondContact O-N 3.45Å; F303-Q345 WeakPolarHBondContact CA-O 3.31Å; F303-Q345 HydrophobicContact CD1-CB 4.03Å; F303-Q345 HydrophobicContact CE1-CB 4.34Å; L304-Q345 PolarHBondContact N-O 3.46Å; T337-Q345 HydrophobicContact CG2-CB 3.85Å; T337-Q345 HydrophobicContact CG2-CG 4.2Å; Q345-L347 HydrophobicContact CG-CD2 4.21Å |
| 346 | L | 97.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.8 | -179.1 | 179.9 | 65.2 | 0 | 0 | 0 | 111.7 | N191 I192 L304 L325 I330 L348 L361 | N191-L346 CarbonylContact C-O 3.53Å; N191-L346 VanDerWaalsContact CA-O 3.22Å; N191-L346 WeakPolarHBondContact CA-O 3.27Å; N191-L346 HydrophobicContact CB-CB 4.46Å; N191-L346 PolarHBondContact OD1-N 3.4Å; I192-L346 PolarHBondContact N-O 3.25Å; L304-L346 HydrophobicContact CB-CD1 4.32Å; L304-L346 HydrophobicContact CD2-CD1 3.97Å; L304-L346 HydrophobicContact CG-CD1 4.13Å; L304-L346 WeakPolarHBondContact O-CA 3.23Å; L325-L346 HydrophobicContact CD2-CD1 3.91Å; L325-L346 HydrophobicContact CD2-CD2 4.48Å; I330-L346 HydrophobicContact CD1-CB 4.39Å; I330-L346 HydrophobicContact CG2-CB 3.86Å; I330-L346 HydrophobicContact CG2-CD2 4.37Å; L346-L348 HydrophobicContact CD1-CD2 3.84Å; L346-L348 HydrophobicContact CD1-CG 4.47Å; L346-L348 HydrophobicContact CD2-CD1 4.38Å; L346-L348 HydrophobicContact CD2-CD2 4.26Å; L346-L348 HydrophobicContact CD2-CG 4.33Å; L346-L348 HydrophobicContact CG-CD2 4.05Å; L346-L348 HydrophobicContact CG-CG 4.16Å; L346-L361 HydrophobicContact CD2-CD2 3.75Å |
| 347 | L | 97.6 | Very high | 88 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111.9 | 177.1 | -52.2 | -177.8 | 0 | 0 | 0 | 110.2 | V186 I192 V210 L304 V305 V306 Q345 | V186-L347 HydrophobicContact CG1-CD1 3.79Å; V186-L347 HydrophobicContact CG1-CD2 4.13Å; V186-L347 HydrophobicContact CG2-CD1 4.22Å; V186-L347 HydrophobicContact CG2-CD2 3.89Å; I192-L347 HydrophobicContact CB-CD2 3.81Å; I192-L347 HydrophobicContact CG1-CD2 3.66Å; V210-L347 HydrophobicContact CG2-CD1 4.11Å; L304-L347 PolarHBondContact O-N 2.97Å; V305-L347 CarbonylContact C-O 3.56Å; V305-L347 VanDerWaalsContact CA-O 3.28Å; V305-L347 WeakPolarHBondContact CA-O 3.42Å; V305-L347 HydrophobicContact CG1-CB 4.34Å; V305-L347 HydrophobicContact CG2-CB 4.17Å; V305-L347 HydrophobicContact CG2-CD1 4.08Å; V305-L347 HydrophobicContact CG2-CG 4.49Å; V306-L347 PolarHBondContact N-O 3.37Å; Q345-L347 HydrophobicContact CG-CD2 4.21Å |
| 348 | L | 96.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.8 | 177.4 | -54 | 176.2 | 0 | 0 | 0 | 109.3 | I192 L193 C194 V306 F313 L346 V357 L361 | I192-L348 PolarHBondContact O-N 3.21Å; L193-L348 CarbonylContact C-O 3.53Å; L193-L348 WeakPolarHBondContact CA-O 3.26Å; L193-L348 HydrophobicContact CG-CB 4.38Å; C194-L348 PolarHBondContact N-O 3.41Å; V306-L348 HydrophobicContact CB-CD2 3.64Å; V306-L348 HydrophobicContact CG1-CD2 4.5Å; V306-L348 HydrophobicContact CG2-CD2 3.62Å; F313-L348 HydrophobicContact CE2-CD2 4.06Å; F313-L348 HydrophobicContact CZ-CD1 4.12Å; F313-L348 HydrophobicContact CZ-CD2 4.03Å; L346-L348 HydrophobicContact CD1-CD2 3.84Å; L346-L348 HydrophobicContact CD1-CG 4.47Å; L346-L348 HydrophobicContact CD2-CD1 4.38Å; L346-L348 HydrophobicContact CD2-CD2 4.26Å; L346-L348 HydrophobicContact CD2-CG 4.33Å; L346-L348 HydrophobicContact CG-CD2 4.05Å; L346-L348 HydrophobicContact CG-CG 4.16Å; L348-V357 HydrophobicContact CD1-CG1 4.43Å; L348-L361 HydrophobicContact CD1-CD1 3.32Å; L348-L361 HydrophobicContact CD1-CD2 4.1Å; L348-L361 HydrophobicContact CD1-CG 4.2Å |
| 349 | I | 95.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 118.2 | -169.4 | -51.6 | -63 | 0 | 0 | 0 | 108.5 | C194 K202 Y206 V305 V306 D307 E308 A309 | C194-I349 HydrophobicContact CB-CD1 3.62Å; K202-I349 HydrophobicContact CB-CG2 3.68Å; K202-I349 HydrophobicContact CD-CG2 3.77Å; K202-I349 HydrophobicContact CG-CG2 4.2Å; Y206-I349 HydrophobicContact CD1-CB 4.48Å; Y206-I349 HydrophobicContact CD1-CD1 4.32Å; Y206-I349 HydrophobicContact CD1-CG1 3.77Å; Y206-I349 HydrophobicContact CD1-CG2 4.3Å; Y206-I349 HydrophobicContact CE1-CG1 4.35Å; Y206-I349 HydrophobicContact CE1-CG2 4.45Å; Y206-I349 HydrophobicContact CG-CG1 4.43Å; V305-I349 HydrophobicContact CG1-CG1 4.07Å; V306-I349 PolarHBondContact O-N 2.94Å; D307-I349 CarbonylContact C-O 3.41Å; E308-I349 PolarHBondContact N-O 2.88Å; A309-I349 WeakPolarHBondContact CB-O 3.21Å; A309-I349 PolarHBondContact N-O 3.44Å |
| 350 | G | 91.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C194 A196 K202 D310 T352 | C194-G350 PolarHBondContact O-N 3.34Å; A196-G350 PolarHBondContact N-O 2.96Å; A196-G350 VanDerWaalsContact O-O 3.13Å; K202-G350 WeakPolarHBondContact CD-O 3.5Å; D310-G350 WeakPolarHBondContact OD1-CA 3.47Å; G350-T352 VanDerWaalsContact C-N 3.33Å |
| 351 | A | 86.5 | Confident | 87.9 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -75.4 | -27.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A196 D310 L378 H500 | A196-A351 VanDerWaalsContact O-CA 3.29Å; A196-A351 WeakPolarHBondContact O-CA 3.32Å; D310-A351 PolarHBondContact OD1-N 3.4Å; A351-L378 WeakPolarHBondContact O-CD1 3.39Å; A351-H500 WeakPolarHBondContact CB-NE2 3.29Å |
| 352 | T | 84.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -132.3 | 179 | 176.6 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | D310 G350 H379 T496 M545 | D310-T352 WeakPolarHBondContact CB-OG1 3.25Å; G350-T352 VanDerWaalsContact C-N 3.33Å; T352-H379 VanDerWaalsContact CA-NE2 3.34Å; T352-H379 WeakPolarHBondContact CA-NE2 3.46Å; T352-H379 WeakPolarHBondContact CB-NE2 3.23Å; T352-T496 HydrophobicContact CG2-CG2 4.09Å; T352-M545 HydrophobicContact CG2-CE 3.76Å |
| 353 | F | 83.4 | Confident | 87.9 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 122.7 | 165.3 | -87.4 | -91.8 | 0 | 0 | 0 | 108.9 | L193 A195 T372 K374 L378 K546 S547 | L193-F353 HydrophobicContact CD1-CD1 4.5Å; L193-F353 HydrophobicContact CD1-CE1 4.44Å; L193-F353 HydrophobicContact CD2-CD1 3.9Å; L193-F353 HydrophobicContact CD2-CE1 3.48Å; L193-F353 VanDerWaalsContact CD2-CE1 3.48Å; L193-F353 HydrophobicContact CD2-CZ 4.07Å; A195-F353 HydrophobicContact CB-CD2 3.71Å; A195-F353 HydrophobicContact CB-CE1 4.47Å; A195-F353 HydrophobicContact CB-CE2 3.48Å; A195-F353 VanDerWaalsContact CB-CE2 3.48Å; A195-F353 HydrophobicContact CB-CG 4.28Å; A195-F353 HydrophobicContact CB-CZ 3.9Å; F353-T372 HydrophobicContact CE1-CG2 3.88Å; F353-T372 HydrophobicContact CZ-CG2 3.59Å; F353-K374 HydrophobicContact CE2-CB 4.41Å; F353-K374 HydrophobicContact CE2-CD 3.99Å; F353-K374 HydrophobicContact CE2-CG 4.22Å; F353-K374 HydrophobicContact CZ-CB 4.47Å; F353-L378 HydrophobicContact CD2-CD2 3.37Å; F353-L378 HydrophobicContact CE2-CD2 3.32Å; F353-K546 HydrophobicContact CB-CB 4.2Å; F353-S547 WeakPolarHBondContact CE2-O 3.16Å; F353-S547 WeakPolarHBondContact CZ-O 3.06Å |
| 354 | P | 76.8 | Confident | 87.4 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 7% | 0.065 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 145.7 | -179.9 | -0.6 | 13.1 | 0 | 0 | 0 | 110.7 | A309 F313 V357 | A309-P354 HydrophobicContact CB-CG 3.73Å; A309-P354 WeakPolarHBondContact O-CB 3.48Å; F313-P354 HydrophobicContact CB-CB 3.86Å; F313-P354 HydrophobicContact CD2-CB 4.19Å; F313-P354 HydrophobicContact CD2-CG 4.31Å; F313-P354 HydrophobicContact CG-CB 4.18Å; P354-V357 HydrophobicContact CB-CG2 3.28Å; P354-V357 HydrophobicContact CG-CG2 3.32Å; P354-V357 VanDerWaalsContact O-CG2 3.29Å; P354-V357 WeakPolarHBondContact O-CG2 3.29Å |
| 355 | D | 78.4 | Confident | 86.8 | Confident | 87 Ų | 87 | 25.6 Ų | 25.6 | 47% | 0.465 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -76.5 | 155.9 | 165.9 | -70.5 | -40.3 | 0 | 0 | 0 | 109.9 | F313 V357 K546 | F313-D355 WeakPolarHBondContact CB-O 3.33Å; D355-V357 PolarHBondContact O-N 3.2Å; D355-K546 WeakPolarHBondContact OD1-CD 3.38Å; D355-K546 WeakPolarHBondContact OD1-CE 3.11Å; D355-K546 IonicContact OD1-NZ 3.89Å; D355-K546 PolarHBondContact OD1-NZ 2.69Å |
| 356 | G | 78 | Confident | 86.2 | Confident | 25 Ų | 25 | 29.7 Ų | 29.7 | 26% | 0.258 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 71.2 | -3.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G358 E359 V360 | G356-G358 VanDerWaalsContact C-N 3.3Å; G356-G358 PolarHBondContact O-N 3.07Å; G356-E359 PolarHBondContact O-N 3.44Å; G356-E359 VanDerWaalsContact O-N 3.08Å; G356-V360 PolarHBondContact O-N 3.41Å |
| 357 | V | 82.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.4 | -46.8 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 112.8 | L193 F313 L348 P354 D355 E359 V360 L361 | L193-V357 HydrophobicContact CD1-CG1 4.26Å; F313-V357 HydrophobicContact CD1-CB 4.28Å; F313-V357 HydrophobicContact CD1-CG2 3.97Å; F313-V357 HydrophobicContact CD2-CG2 4.4Å; F313-V357 HydrophobicContact CE1-CB 4.28Å; F313-V357 HydrophobicContact CE1-CG1 4.18Å; F313-V357 HydrophobicContact CE1-CG2 4.21Å; F313-V357 HydrophobicContact CG-CG2 4.05Å; F313-V357 HydrophobicContact CZ-CG1 4.41Å; L348-V357 HydrophobicContact CD1-CG1 4.43Å; P354-V357 HydrophobicContact CB-CG2 3.28Å; P354-V357 HydrophobicContact CG-CG2 3.32Å; P354-V357 VanDerWaalsContact O-CG2 3.29Å; P354-V357 WeakPolarHBondContact O-CG2 3.29Å; D355-V357 PolarHBondContact O-N 3.2Å; V357-E359 VanDerWaalsContact C-N 3.27Å; V357-E359 PolarHBondContact O-N 2.84Å; V357-V360 PolarHBondContact O-N 3.41Å; V357-L361 HydrophobicContact CG1-CD1 3.31Å; V357-L361 HydrophobicContact CG1-CG 3.85Å; V357-L361 VanDerWaalsContact O-CB 3.32Å; V357-L361 WeakPolarHBondContact O-CB 3.29Å; V357-L361 WeakPolarHBondContact O-CG 3.44Å; V357-L361 PolarHBondContact O-N 3.4Å |
| 358 | G | 83.6 | Confident | 84.6 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -36.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G356 S362 | G356-G358 VanDerWaalsContact C-N 3.3Å; G356-G358 PolarHBondContact O-N 3.07Å; G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.09Å; G358-S362 VanDerWaalsContact O-N 3.11Å; G358-S362 PolarHBondContact O-OG 3.05Å |
| 359 | E | 83.6 | Confident | 84.1 | Confident | 123 Ų | 123 | 38.6 Ų | 38.6 | 58% | 0.575 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -71.9 | -37.5 | -178.5 | -63.3 | 178.3 | -171.6 | 0 | 0 | 112.6 | G356 V357 S362 K363 P552 | G356-E359 PolarHBondContact O-N 3.44Å; G356-E359 VanDerWaalsContact O-N 3.08Å; V357-E359 VanDerWaalsContact C-N 3.27Å; V357-E359 PolarHBondContact O-N 2.84Å; E359-S362 PolarHBondContact O-OG 3.42Å; E359-K363 WeakPolarHBondContact O-CE 3.38Å; E359-P552 HydrophobicContact CG-CB 4.28Å |
| 360 | V | 85 | Confident | 83.9 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -79.8 | -47.1 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | F313 S318 L325 G356 V357 | F313-V360 HydrophobicContact CD1-CB 4.08Å; F313-V360 HydrophobicContact CD1-CG1 4.49Å; F313-V360 HydrophobicContact CD1-CG2 4.12Å; F313-V360 HydrophobicContact CE1-CB 3.84Å; F313-V360 HydrophobicContact CE1-CG1 4Å; F313-V360 HydrophobicContact CE1-CG2 4.38Å; S318-V360 VanDerWaalsContact OG-CG2 3.23Å; S318-V360 WeakPolarHBondContact OG-CG2 3.42Å; L325-V360 HydrophobicContact CD1-CG1 3.64Å; G356-V360 PolarHBondContact O-N 3.41Å; V357-V360 PolarHBondContact O-N 3.41Å |
| 361 | L | 86.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.6 | -30.1 | -173.5 | -67.5 | -173.4 | 0 | 0 | 0 | 114 | F313 L325 L346 L348 V357 K363 V364 T365 L367 I370 | F313-L361 HydrophobicContact CE1-CD2 4.28Å; F313-L361 HydrophobicContact CE1-CG 4.14Å; F313-L361 HydrophobicContact CZ-CD2 4.11Å; F313-L361 HydrophobicContact CZ-CG 4.26Å; L325-L361 HydrophobicContact CD1-CD2 4.12Å; L346-L361 HydrophobicContact CD2-CD2 3.75Å; L348-L361 HydrophobicContact CD1-CD1 3.32Å; L348-L361 HydrophobicContact CD1-CD2 4.1Å; L348-L361 HydrophobicContact CD1-CG 4.2Å; V357-L361 HydrophobicContact CG1-CD1 3.31Å; V357-L361 HydrophobicContact CG1-CG 3.85Å; V357-L361 VanDerWaalsContact O-CB 3.32Å; V357-L361 WeakPolarHBondContact O-CB 3.29Å; V357-L361 WeakPolarHBondContact O-CG 3.44Å; V357-L361 PolarHBondContact O-N 3.4Å; L361-K363 PolarHBondContact O-N 3.44Å; L361-K363 VanDerWaalsContact O-N 3.09Å; L361-V364 PolarHBondContact O-N 3.24Å; L361-T365 PolarHBondContact O-N 2.95Å; L361-T365 VanDerWaalsContact O-O 3.06Å; L361-L367 HydrophobicContact CB-CD2 3.47Å; L361-L367 VanDerWaalsContact CB-CD2 3.47Å; L361-L367 HydrophobicContact CD1-CD2 4.18Å; L361-L367 HydrophobicContact CG-CD2 4.5Å; L361-I370 HydrophobicContact CD1-CD1 3.57Å |
| 362 | S | 86 | Confident | 84.4 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.4 | 177.3 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | G358 E359 V364 | G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.09Å; G358-S362 VanDerWaalsContact O-N 3.11Å; G358-S362 PolarHBondContact O-OG 3.05Å; E359-S362 PolarHBondContact O-OG 3.42Å; S362-V364 VanDerWaalsContact C-N 3.29Å |
| 363 | K | 85 | Confident | 84.8 | Confident | 155 Ų | 155 | 43.5 Ų | 43.5 | 67% | 0.674 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.8 | 174.8 | -58.4 | 175.4 | -173.3 | 171.6 | 0 | 113.4 | E359 L361 | E359-K363 WeakPolarHBondContact O-CE 3.38Å; L361-K363 PolarHBondContact O-N 3.44Å; L361-K363 VanDerWaalsContact O-N 3.09Å |
| 364 | V | 83.9 | Confident | 85.2 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -36.7 | -164.8 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | L325 I330 L361 S362 | L325-V364 HydrophobicContact CB-CG1 4.21Å; L325-V364 HydrophobicContact CB-CG2 3.79Å; L325-V364 HydrophobicContact CD1-CG2 4.4Å; I330-V364 HydrophobicContact CB-CG1 3.73Å; I330-V364 HydrophobicContact CG1-CG1 3.28Å; I330-V364 HydrophobicContact CG2-CG1 4.49Å; L361-V364 PolarHBondContact O-N 3.24Å; S362-V364 VanDerWaalsContact C-N 3.29Å |
| 365 | T | 85.3 | Confident | 85.7 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -152.8 | 159.6 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | I330 L361 L367 I370 | I330-T365 HydrophobicContact CG2-CG2 4.46Å; L361-T365 PolarHBondContact O-N 2.95Å; L361-T365 VanDerWaalsContact O-O 3.06Å; T365-L367 PolarHBondContact O-N 3.36Å; T365-I370 HydrophobicContact CG2-CD1 3.94Å; T365-I370 HydrophobicContact CG2-CG1 4.36Å |
| 366 | D | 83.4 | Confident | 86.1 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | trans | -64.9 | 120.8 | 166.9 | -178.9 | -3.4 | 0 | 0 | 0 | 110.3 | G368 K369 | D366-G368 VanDerWaalsContact C-N 3.27Å; D366-G368 PolarHBondContact O-N 2.71Å; D366-G368 PolarHBondContact OD1-N 2.79Å; D366-K369 HydrophobicContact CB-CD 4.39Å; D366-K369 HydrophobicContact CB-CG 4.25Å; D366-K369 PolarHBondContact O-N 3.1Å | ||
| 367 | L | 81.2 | Confident | 86.4 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.5 | -33.5 | 179.5 | -61.1 | 178.4 | 0 | 0 | 0 | 112 | L361 T365 K369 I370 I549 | L361-L367 HydrophobicContact CB-CD2 3.47Å; L361-L367 VanDerWaalsContact CB-CD2 3.47Å; L361-L367 HydrophobicContact CD1-CD2 4.18Å; L361-L367 HydrophobicContact CG-CD2 4.5Å; T365-L367 PolarHBondContact O-N 3.36Å; L367-K369 PolarHBondContact O-N 2.64Å; L367-I370 HydrophobicContact CD2-CD1 4.29Å; L367-I370 PolarHBondContact O-N 3.04Å; L367-I370 VanDerWaalsContact O-N 3.16Å; L367-I549 HydrophobicContact CD1-CG2 4.16Å; L367-I549 HydrophobicContact CD2-CG2 4.41Å |
| 368 | G | 80.6 | Confident | 86.6 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 72% | 0.722 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -67.1 | -18.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D366 | D366-G368 VanDerWaalsContact C-N 3.27Å; D366-G368 PolarHBondContact O-N 2.71Å; D366-G368 PolarHBondContact OD1-N 2.79Å |
| 369 | K | 86.3 | Confident | 86.8 | Confident | 95 Ų | 95 | 54 Ų | 54 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -92 | -5.8 | 178.3 | -62.3 | -169.5 | -178.4 | -173.7 | 0 | 113.7 | S332 D366 L367 V371 | S332-K369 WeakPolarHBondContact O-CD 2.94Å; D366-K369 HydrophobicContact CB-CD 4.39Å; D366-K369 HydrophobicContact CB-CG 4.25Å; D366-K369 PolarHBondContact O-N 3.1Å; L367-K369 PolarHBondContact O-N 2.64Å; K369-V371 PolarHBondContact O-N 3.26Å |
| 370 | I | 91.1 | Very high | 87.1 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -80.5 | 118.1 | 176.4 | -56.5 | 178.5 | 0 | 0 | 0 | 109.2 | N191 L193 L361 T365 L367 T372 | N191-I370 HydrophobicContact CB-CG1 4.31Å; L193-I370 HydrophobicContact CB-CG2 3.87Å; L361-I370 HydrophobicContact CD1-CD1 3.57Å; T365-I370 HydrophobicContact CG2-CD1 3.94Å; T365-I370 HydrophobicContact CG2-CG1 4.36Å; L367-I370 HydrophobicContact CD2-CD1 4.29Å; L367-I370 PolarHBondContact O-N 3.04Å; L367-I370 VanDerWaalsContact O-N 3.16Å; I370-T372 PolarHBondContact O-N 3.44Å |
| 371 | V | 94 | Very high | 87.4 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116.9 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | K185 H190 N191 I192 L193 K369 | K185-V371 HydrophobicContact CD-CG1 3.81Å; H190-V371 HydrophobicContact CB-CB 4.35Å; H190-V371 HydrophobicContact CB-CG2 3.84Å; N191-V371 PolarHBondContact O-N 3.32Å; I192-V371 WeakPolarHBondContact CA-O 3.31Å; I192-V371 HydrophobicContact CD1-CB 4.04Å; I192-V371 HydrophobicContact CD1-CG1 4.49Å; L193-V371 PolarHBondContact N-O 3.11Å; K369-V371 PolarHBondContact O-N 3.26Å |
| 372 | T | 93.6 | Very high | 87.5 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 37% | 0.368 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | L193 F353 I370 | L193-T372 HydrophobicContact CD2-CG2 4.42Å; L193-T372 CarbonylContact O-C 3.49Å; L193-T372 WeakPolarHBondContact O-CA 3.39Å; F353-T372 HydrophobicContact CE1-CG2 3.88Å; F353-T372 HydrophobicContact CZ-CG2 3.59Å; I370-T372 PolarHBondContact O-N 3.44Å |
| 373 | V | 92.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 114.6 | 170.5 | -173 | 0 | 0 | 0 | 0 | 108.1 | Q181 K185 I192 L193 C194 A195 | Q181-V373 HydrophobicContact CB-CG1 3.76Å; K185-V373 HydrophobicContact CD-CG2 3.71Å; I192-V373 HydrophobicContact CG2-CG2 4.09Å; L193-V373 PolarHBondContact O-N 3.18Å; C194-V373 CarbonylContact C-O 3.48Å; C194-V373 WeakPolarHBondContact CA-O 3.22Å; A195-V373 PolarHBondContact N-O 3.38Å |
| 374 | K | 91.1 | Very high | 87.8 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.8 | -177.6 | 173.2 | 177 | 179.6 | -169.1 | 0 | 110.7 | A195 F353 L378 | A195-K374 WeakPolarHBondContact O-CA 3.31Å; F353-K374 HydrophobicContact CE2-CB 4.41Å; F353-K374 HydrophobicContact CE2-CD 3.99Å; F353-K374 HydrophobicContact CE2-CG 4.22Å; F353-K374 HydrophobicContact CZ-CB 4.47Å; K374-L378 HydrophobicContact CD-CD2 4.14Å; K374-L378 HydrophobicContact CG-CB 4.17Å; K374-L378 HydrophobicContact CG-CD2 3.85Å |
| 375 | S | 88.4 | Confident | 88.2 | Confident | 16 Ų | 16 | 43 Ų | 43 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | trans | -66.7 | 142.4 | 168.6 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | A195 E197 M377 L378 | A195-S375 PolarHBondContact O-N 3.23Å; E197-S375 WeakPolarHBondContact OE2-CB 3.33Å; E197-S375 PolarHBondContact OE2-OG 3.21Å; S375-M377 PolarHBondContact O-N 3.25Å; S375-M377 PolarHBondContact OG-N 3.43Å; S375-L378 VanDerWaalsContact O-CB 3.26Å; S375-L378 WeakPolarHBondContact O-CB 3.38Å; S375-L378 PolarHBondContact O-N 3.29Å; S375-L378 VanDerWaalsContact O-N 3.13Å | ||
| 376 | K | 86.1 | Confident | 88.6 | Confident | 190 Ų | 190 | 45.6 Ų | 45.6 | 83% | 0.826 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.4 | 173.5 | -68 | -175.8 | 179.3 | 179.6 | 0 | 112.3 | L378 H380 | K376-L378 VanDerWaalsContact C-N 3.32Å; K376-H380 PolarHBondContact O-CE1 3.23Å |
| 377 | M | 85.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 6.8 | -179.8 | -64.5 | -59.8 | -59.2 | 0 | 0 | 112.9 | P136 S375 H379 H380 P383 | P136-M377 HydrophobicContact CB-CG 3.7Å; P136-M377 HydrophobicContact CB-SD 4.36Å; P136-M377 HydrophobicContact CG-CE 4.16Å; P136-M377 HydrophobicContact CG-CG 4.19Å; P136-M377 HydrophobicContact CG-SD 4.46Å; S375-M377 PolarHBondContact O-N 3.25Å; S375-M377 PolarHBondContact OG-N 3.43Å; M377-H379 PolarHBondContact O-N 3.28Å; M377-H380 HydrophobicContact CE-CB 3.82Å; M377-H380 WeakPolarHBondContact O-CB 3.08Å; M377-H380 PolarHBondContact O-N 2.98Å; M377-P383 HydrophobicContact CE-CG 4Å |
| 378 | L | 85.5 | Confident | 90 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.2 | 179.2 | -168.5 | 68.9 | 0 | 0 | 0 | 110.4 | A195 A351 F353 K374 S375 K376 H380 | A195-L378 HydrophobicContact CB-CD1 4.16Å; A195-L378 HydrophobicContact CB-CD2 3.6Å; A351-L378 WeakPolarHBondContact O-CD1 3.39Å; F353-L378 HydrophobicContact CD2-CD2 3.37Å; F353-L378 HydrophobicContact CE2-CD2 3.32Å; K374-L378 HydrophobicContact CD-CD2 4.14Å; K374-L378 HydrophobicContact CG-CB 4.17Å; K374-L378 HydrophobicContact CG-CD2 3.85Å; S375-L378 VanDerWaalsContact O-CB 3.26Å; S375-L378 WeakPolarHBondContact O-CB 3.38Å; S375-L378 PolarHBondContact O-N 3.29Å; S375-L378 VanDerWaalsContact O-N 3.13Å; K376-L378 VanDerWaalsContact C-N 3.32Å; L378-H380 PolarHBondContact O-N 2.64Å; L378-H380 VanDerWaalsContact O-N 3.15Å; L378-H380 PolarHBondContact O-ND1 3.36Å |
| 379 | H | 88.4 | Confident | 90.9 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 10.7 | -178.3 | -51.8 | 147.5 | 0 | 0 | 0 | 115.3 | T352 M377 S541 L542 M545 K546 | T352-H379 VanDerWaalsContact CA-NE2 3.34Å; T352-H379 WeakPolarHBondContact CA-NE2 3.46Å; T352-H379 WeakPolarHBondContact CB-NE2 3.23Å; M377-H379 PolarHBondContact O-N 3.28Å; H379-S541 CarbonylContact O-C 3.54Å; H379-S541 WeakPolarHBondContact O-CA 3.35Å; H379-L542 PolarHBondContact O-N 2.9Å; H379-M545 HydrophobicContact CB-CB 4.05Å; H379-M545 HydrophobicContact CB-CG 4.35Å; H379-M545 HydrophobicContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CG-SD 3.56Å; H379-M545 WeakPolarHBondContact ND1-CB 3.4Å; H379-K546 PolarHBondContact CE1-O 3.06Å; H379-K546 PolarHBondContact ND1-O 3.33Å |
| 380 | H | 89.9 | Confident | 91.4 | Very high | 54 Ų | 54 | 34 Ų | 34 | 25% | 0.25 | 17% | 0.167 | C | C | . | . | trans | -90.4 | 154.9 | 172.2 | -67.2 | 73.5 | 0 | 0 | 0 | 110.8 | K376 M377 L378 T540 S541 | K376-H380 PolarHBondContact O-CE1 3.23Å; M377-H380 HydrophobicContact CE-CB 3.82Å; M377-H380 WeakPolarHBondContact O-CB 3.08Å; M377-H380 PolarHBondContact O-N 2.98Å; L378-H380 PolarHBondContact O-N 2.64Å; L378-H380 VanDerWaalsContact O-N 3.15Å; L378-H380 PolarHBondContact O-ND1 3.36Å; H380-T540 VanDerWaalsContact CD2-C 3.47Å; H380-S541 PolarHBondContact NE2-N 2.97Å | ||
| 381 | L | 90.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | trans | -67.5 | 147.6 | 169 | -60 | 175 | 0 | 0 | 0 | 110.5 | I128 P383 Y498 I532 A536 L542 | I128-L381 HydrophobicContact CD1-CD1 3.96Å; L381-P383 WeakPolarHBondContact O-CD 3.29Å; L381-Y498 HydrophobicContact CD2-CD1 4.33Å; L381-Y498 HydrophobicContact CD2-CE1 3.71Å; L381-I532 HydrophobicContact CD1-CG2 3.87Å; L381-I532 HydrophobicContact CD2-CG2 3.98Å; L381-A536 HydrophobicContact CD1-CB 3.62Å; L381-L542 HydrophobicContact CD2-CD1 4.37Å; L381-L542 HydrophobicContact CD2-CD2 4.21Å | ||
| 382 | M | 89.6 | Confident | 91.9 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | trans | -72.5 | 108.7 | -178.3 | -67.2 | 161.7 | 73.6 | 0 | 0 | 110.4 | H384 V385 Q387 A502 V505 | M382-H384 PolarHBondContact O-N 3.23Å; M382-V385 HydrophobicContact CB-CB 3.97Å; M382-V385 HydrophobicContact CB-CG2 4.09Å; M382-V385 HydrophobicContact CE-CB 4.37Å; M382-V385 HydrophobicContact CE-CG2 3.51Å; M382-V385 PolarHBondContact O-N 3.29Å; M382-V385 HydrophobicContact SD-CG2 4.47Å; M382-Q387 PolarHBondContact O-NE2 2.86Å; M382-A502 HydrophobicContact SD-CB 4.19Å; M382-V505 WeakPolarHBondContact CE-O 3.32Å | ||
| 383 | P | 87.7 | Confident | 92 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 13% | 0.13 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.5 | -172.4 | 31.5 | -36.3 | 0 | 0 | 0 | 113.3 | N130 I131 K132 P136 M377 L381 | N130-P383 CarbonylContact C-O 3.52Å; N130-P383 WeakPolarHBondContact CA-O 3.29Å; I131-P383 HydrophobicContact CD1-CB 4.01Å; I131-P383 HydrophobicContact CG1-CB 3.7Å; I131-P383 PolarHBondContact N-O 3.07Å; K132-P383 HydrophobicContact CD-CB 4.28Å; K132-P383 HydrophobicContact CD-CG 3.93Å; K132-P383 HydrophobicContact CG-CB 4.26Å; K132-P383 HydrophobicContact CG-CG 4.39Å; K132-P383 PolarHBondContact N-O 3.31Å; K132-P383 VanDerWaalsContact N-O 3.15Å; P136-P383 HydrophobicContact CG-CG 3.46Å; P136-P383 VanDerWaalsContact CG-CG 3.46Å; M377-P383 HydrophobicContact CE-CG 4Å; L381-P383 WeakPolarHBondContact O-CD 3.29Å |
| 384 | H | 88.8 | Confident | 92.1 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.069 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -8.8 | 177.8 | 60 | -68.2 | 0 | 0 | 0 | 113.4 | N130 K132 M382 G506 | N130-H384 VanDerWaalsContact CB-O 3.28Å; N130-H384 WeakPolarHBondContact CB-O 3.36Å; K132-H384 HydrophobicContact CB-CB 4.41Å; K132-H384 VanDerWaalsContact O-CA 3.29Å; K132-H384 WeakPolarHBondContact O-CA 3.27Å; M382-H384 PolarHBondContact O-N 3.23Å; H384-G506 PolarHBondContact CD2-O 2.91Å; H384-G506 PolarHBondContact NE2-O 2.56Å |
| 385 | V | 91.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -107.9 | 128.2 | -178.6 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | M382 Q387 V505 V516 | M382-V385 HydrophobicContact CB-CB 3.97Å; M382-V385 HydrophobicContact CB-CG2 4.09Å; M382-V385 HydrophobicContact CE-CB 4.37Å; M382-V385 HydrophobicContact CE-CG2 3.51Å; M382-V385 PolarHBondContact O-N 3.29Å; M382-V385 HydrophobicContact SD-CG2 4.47Å; V385-Q387 HydrophobicContact CG1-CG 4.23Å; V385-Q387 PolarHBondContact O-NE2 3Å; V385-V505 HydrophobicContact CG1-CG2 3.72Å; V385-V505 HydrophobicContact CG2-CG2 4.32Å; V385-V516 HydrophobicContact CG1-CG2 3.73Å |
| 386 | K | 94.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 38 Ų | 38 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.2 | 173.2 | 178.1 | -174.4 | 163.5 | -145.2 | 0 | 109.5 | T127 I128 E515 V516 | T127-K386 HydrophobicContact CG2-CD 4.27Å; T127-K386 HydrophobicContact CG2-CG 3.66Å; I128-K386 WeakPolarHBondContact O-CA 3.24Å; K386-E515 HydrophobicContact CB-CB 4.24Å; K386-E515 IonicContact NZ-OE2 3.21Å; K386-E515 PolarHBondContact NZ-OE2 2.92Å; K386-E515 CarbonylContact O-C 3.55Å; K386-E515 VanDerWaalsContact O-CA 3.29Å; K386-E515 WeakPolarHBondContact O-CA 3.25Å; K386-V516 PolarHBondContact O-N 3.33Å |
| 387 | Q | 97 | Very high | 93.1 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 117.9 | -175.6 | -63.3 | 159.7 | 66.2 | 0 | 0 | 109.7 | T127 I128 M382 V385 F389 Y498 V516 | T127-Q387 CarbonylContact C-O 3.46Å; T127-Q387 VanDerWaalsContact CA-O 3.32Å; T127-Q387 WeakPolarHBondContact CA-O 3.43Å; I128-Q387 HydrophobicContact CB-CB 4.28Å; I128-Q387 HydrophobicContact CD1-CB 4.48Å; I128-Q387 PolarHBondContact N-O 3.15Å; I128-Q387 PolarHBondContact O-N 3.04Å; M382-Q387 PolarHBondContact O-NE2 2.86Å; V385-Q387 HydrophobicContact CG1-CG 4.23Å; V385-Q387 PolarHBondContact O-NE2 3Å; Q387-F389 HydrophobicContact CB-CE2 4.25Å; Q387-Y498 PolarHBondContact OE1-OH 3.49Å; Q387-V516 CarbonylContact C-O 3.48Å; Q387-V516 WeakPolarHBondContact CA-O 3.47Å; Q387-V516 HydrophobicContact CB-CB 4.45Å; Q387-V516 HydrophobicContact CG-CB 4.05Å; Q387-V516 HydrophobicContact CG-CG2 4.24Å |
| 388 | T | 97.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.9 | -178.6 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | T127 V516 L517 S518 | T127-T388 WeakPolarHBondContact CG2-OG1 3.46Å; T127-T388 WeakPolarHBondContact OG1-CG2 3.43Å; T127-T388 PolarHBondContact OG1-OG1 3.35Å; T388-V516 PolarHBondContact N-O 3.08Å; T388-L517 HydrophobicContact CG2-CD1 4.12Å; T388-L517 CarbonylContact O-C 3.57Å; T388-L517 WeakPolarHBondContact O-CA 3.49Å; T388-S518 PolarHBondContact O-N 3.36Å |
| 389 | F | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.4 | 174.5 | -61.2 | -96.5 | 0 | 0 | 0 | 108 | W116 Y125 F126 I128 Q387 F491 Y498 S518 V520 V529 I532 | W116-F389 HydrophobicContact CH2-CB 4.14Å; W116-F389 HydrophobicContact CZ3-CB 4.17Å; Y125-F389 WeakPolarHBondContact CA-O 3.29Å; Y125-F389 VanDerWaalsContact CB-O 3.27Å; Y125-F389 WeakPolarHBondContact CB-O 3.31Å; F126-F389 HydrophobicContact CD1-CB 4.06Å; F126-F389 HydrophobicContact CD2-CD2 4.12Å; F126-F389 HydrophobicContact CE1-CB 3.6Å; F126-F389 HydrophobicContact CE1-CD2 4.07Å; F126-F389 AromaticContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE2-CB 4.42Å; F126-F389 AromaticContact CE2-CD2 3.39Å; F126-F389 HydrophobicContact CE2-CD2 3.39Å; F126-F389 AromaticContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CG 4.1Å; F126-F389 HydrophobicContact CZ-CB 3.81Å; F126-F389 HydrophobicContact CZ-CD1 4.39Å; F126-F389 AromaticContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CE2 4.03Å; F126-F389 AromaticContact CZ-CG 3.59Å; F126-F389 HydrophobicContact CZ-CG 3.59Å; F126-F389 PolarHBondContact N-O 3.22Å; F126-F389 PolarHBondContact O-N 2.99Å; I128-F389 HydrophobicContact CD1-CE2 3.83Å; I128-F389 HydrophobicContact CG1-CE2 4.36Å; Q387-F389 HydrophobicContact CB-CE2 4.25Å; F389-F491 AromaticContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CZ 4.21Å; F389-F491 AromaticContact CE1-CE2 3.83Å; F389-F491 HydrophobicContact CE1-CE2 3.83Å; F389-F491 AromaticContact CE1-CZ 3.97Å; F389-F491 HydrophobicContact CE1-CZ 3.97Å; F389-Y498 AromaticContact CE1-CE2 3.79Å; F389-Y498 HydrophobicContact CE1-CE2 3.79Å; F389-Y498 AromaticContact CZ-CE2 3.75Å; F389-Y498 HydrophobicContact CZ-CE2 3.75Å; F389-Y498 AromaticContact CZ-CZ 3.64Å; F389-Y498 VanDerWaalsContact CZ-OH 3.24Å; F389-Y498 WeakPolarHBondContact CZ-OH 3.4Å; F389-S518 WeakPolarHBondContact CA-O 3.46Å; F389-V520 HydrophobicContact CB-CG2 4.48Å; F389-V520 HydrophobicContact CD1-CG2 4.4Å; F389-V529 HydrophobicContact CD1-CG1 4.25Å; F389-V529 HydrophobicContact CD1-CG2 4.27Å; F389-I532 HydrophobicContact CE1-CD1 4.21Å; F389-I532 HydrophobicContact CE1-CG2 4.38Å; F389-I532 HydrophobicContact CE2-CG2 4.2Å; F389-I532 HydrophobicContact CZ-CB 4.47Å; F389-I532 HydrophobicContact CZ-CD1 4.37Å; F389-I532 HydrophobicContact CZ-CG2 3.62Å |
| 390 | L | 98 | Very high | 94.6 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.4 | -178.8 | 179.6 | 67.3 | 0 | 0 | 0 | 109.1 | V392 E400 S518 F519 V520 | L390-V392 HydrophobicContact CB-CG1 4.3Å; L390-V392 HydrophobicContact CD2-CG1 3.46Å; L390-V392 VanDerWaalsContact CD2-CG1 3.46Å; L390-V392 HydrophobicContact CG-CG1 3.48Å; L390-V392 VanDerWaalsContact CG-CG1 3.48Å; L390-V392 PolarHBondContact O-N 2.9Å; L390-E400 HydrophobicContact CD2-CG 4.46Å; L390-S518 PolarHBondContact N-O 3.3Å; L390-F519 HydrophobicContact CB-CD1 4.47Å; L390-F519 HydrophobicContact CD2-CD1 4.37Å; L390-F519 HydrophobicContact CD2-CE1 4.13Å; L390-V520 PolarHBondContact O-N 3.42Å |
| 391 | K | 97.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 112.8 | 172.7 | -176.1 | 77.5 | -156.9 | -176.4 | 0 | 108.8 | W116 S121 F122 G123 D124 V520 T521 H522 | W116-K391 HydrophobicContact CB-CD 4.27Å; W116-K391 HydrophobicContact CD2-CB 4.05Å; W116-K391 HydrophobicContact CD2-CD 4.38Å; W116-K391 HydrophobicContact CE3-CB 3.98Å; W116-K391 HydrophobicContact CE3-CD 4.19Å; W116-K391 HydrophobicContact CG-CD 4.45Å; W116-K391 HydrophobicContact CH2-CB 4.37Å; W116-K391 HydrophobicContact CZ2-CB 4.43Å; W116-K391 HydrophobicContact CZ3-CB 4.14Å; W116-K391 WeakPolarHBondContact O-CE 3.33Å; W116-K391 PolarHBondContact O-NZ 3.27Å; W116-K391 VanDerWaalsContact O-NZ 3.14Å; S121-K391 WeakPolarHBondContact O-CB 3.33Å; S121-K391 WeakPolarHBondContact O-CG 3.28Å; F122-K391 HydrophobicContact CD1-CG 3.96Å; F122-K391 HydrophobicContact CE1-CG 4.5Å; G123-K391 PolarHBondContact N-O 3.13Å; D124-K391 WeakPolarHBondContact O-CB 3.36Å; D124-K391 PolarHBondContact O-N 3.22Å; K391-V520 WeakPolarHBondContact CA-O 3.45Å; K391-V520 HydrophobicContact CD-CB 4.38Å; K391-V520 HydrophobicContact CD-CG1 4.16Å; K391-V520 VanDerWaalsContact CD-O 3.31Å; K391-V520 WeakPolarHBondContact CD-O 3.02Å; K391-V520 WeakPolarHBondContact CE-O 3.42Å; K391-T521 WeakPolarHBondContact CE-O 3.25Å; K391-T521 VanDerWaalsContact NZ-C 3.34Å; K391-T521 PolarHBondContact NZ-O 3.38Å; K391-H522 PolarHBondContact NZ-O 2.93Å |
| 392 | V | 96.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | trans | -125.1 | 152.8 | -175.7 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | F122 L390 K397 E400 F519 V520 | F122-V392 VanDerWaalsContact CD1-C 3.48Å; F122-V392 VanDerWaalsContact CE1-O 3.32Å; F122-V392 WeakPolarHBondContact CE1-O 3.47Å; L390-V392 HydrophobicContact CB-CG1 4.3Å; L390-V392 HydrophobicContact CD2-CG1 3.46Å; L390-V392 VanDerWaalsContact CD2-CG1 3.46Å; L390-V392 HydrophobicContact CG-CG1 3.48Å; L390-V392 VanDerWaalsContact CG-CG1 3.48Å; L390-V392 PolarHBondContact O-N 2.9Å; V392-K397 HydrophobicContact CG2-CD 4.45Å; V392-K397 HydrophobicContact CG2-CG 3.66Å; V392-E400 HydrophobicContact CG1-CG 4.24Å; V392-F519 HydrophobicContact CG1-CD1 4.12Å; V392-F519 HydrophobicContact CG2-CB 3.63Å; V392-F519 HydrophobicContact CG2-CD1 4.22Å; V392-F519 HydrophobicContact CG2-CG 3.92Å; V392-V520 PolarHBondContact N-O 3.48Å | ||
| 393 | K | 96.2 | Very high | 95.5 | Very high | 102 Ų | 102 | 37.8 Ų | 37.8 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | trans | -77.6 | 148.4 | 165.5 | -61.4 | 176.6 | -178 | 169.8 | 0 | 108.7 | F122 A395 D396 K397 | F122-K393 HydrophobicContact CB-CG 4.11Å; F122-K393 HydrophobicContact CD1-CB 4.46Å; F122-K393 HydrophobicContact CD1-CG 3.63Å; F122-K393 HydrophobicContact CD2-CD 3.99Å; F122-K393 HydrophobicContact CD2-CG 3.44Å; F122-K393 VanDerWaalsContact CD2-CG 3.44Å; F122-K393 HydrophobicContact CE1-CB 4.43Å; F122-K393 HydrophobicContact CE1-CG 3.82Å; F122-K393 HydrophobicContact CE2-CD 4.31Å; F122-K393 HydrophobicContact CE2-CG 3.64Å; F122-K393 HydrophobicContact CG-CD 4.32Å; F122-K393 HydrophobicContact CG-CG 3.47Å; F122-K393 VanDerWaalsContact CG-CG 3.47Å; F122-K393 HydrophobicContact CZ-CG 3.84Å; K393-A395 PolarHBondContact O-N 3.34Å; K393-D396 WeakPolarHBondContact CB-OD2 3.29Å; K393-D396 PolarHBondContact O-N 2.74Å; K393-K397 PolarHBondContact O-N 3.13Å | ||
| 394 | G | 94.3 | Very high | 95.8 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 43% | 0.433 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -54.9 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D396 K397 | G394-D396 VanDerWaalsContact C-N 3.29Å; G394-D396 PolarHBondContact O-N 2.77Å; G394-K397 PolarHBondContact O-N 2.8Å |
| 395 | A | 94.2 | Very high | 96.1 | Very high | 91 Ų | 91 | 39 Ų | 39 | 75% | 0.752 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -66.3 | -28.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K393 | K393-A395 PolarHBondContact O-N 3.34Š|
| 396 | D | 95.9 | Very high | 96.1 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -88.5 | -15 | -174.3 | -57.3 | -28.5 | 0 | 0 | 0 | 112 | K393 G394 V398 L399 E400 | K393-D396 WeakPolarHBondContact CB-OD2 3.29Å; K393-D396 PolarHBondContact O-N 2.74Å; G394-D396 VanDerWaalsContact C-N 3.29Å; G394-D396 PolarHBondContact O-N 2.77Å; D396-V398 VanDerWaalsContact C-N 3.32Å; D396-V398 PolarHBondContact O-N 3.08Å; D396-L399 PolarHBondContact O-N 2.88Å; D396-L399 VanDerWaalsContact O-N 3.14Å; D396-E400 WeakPolarHBondContact O-CG 3.37Å; D396-E400 PolarHBondContact O-N 3.27Å |
| 397 | K | 97 | Very high | 95.9 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.6 | -41.3 | -173.8 | -68.7 | 177.1 | 69.7 | 176.8 | 0 | 113.9 | V392 K393 G394 L401 Y489 D490 F519 | V392-K397 HydrophobicContact CG2-CD 4.45Å; V392-K397 HydrophobicContact CG2-CG 3.66Å; K393-K397 PolarHBondContact O-N 3.13Å; G394-K397 PolarHBondContact O-N 2.8Å; K397-L401 WeakPolarHBondContact O-CB 3.29Å; K397-L401 PolarHBondContact O-N 3.33Å; K397-Y489 HydrophobicContact CB-CD2 4.33Å; K397-Y489 HydrophobicContact CB-CE2 3.5Å; K397-Y489 VanDerWaalsContact CB-CE2 3.5Å; K397-Y489 WeakPolarHBondContact CB-OH 3.5Å; K397-Y489 HydrophobicContact CD-CE1 4.29Å; K397-Y489 VanDerWaalsContact CE-CE1 3.48Å; K397-Y489 WeakPolarHBondContact CE-O 3.48Å; K397-Y489 PolarHBondContact NZ-O 2.69Å; K397-D490 IonicContact NZ-OD1 3.64Å; K397-D490 PolarHBondContact NZ-OD1 2.66Å; K397-F519 HydrophobicContact CB-CD2 4.17Å; K397-F519 HydrophobicContact CB-CE2 4.37Å; K397-F519 HydrophobicContact CG-CD2 4.17Å; K397-F519 WeakPolarHBondContact O-CE2 3.18Å |
| 398 | V | 97.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | -178.4 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | D396 L401 Y402 F429 L430 M437 Y489 | D396-V398 VanDerWaalsContact C-N 3.32Å; D396-V398 PolarHBondContact O-N 3.08Å; V398-L401 PolarHBondContact O-N 3.28Å; V398-Y402 WeakPolarHBondContact O-CB 3.22Å; V398-Y402 PolarHBondContact O-N 3.39Å; V398-F429 HydrophobicContact CG2-CE1 3.98Å; V398-F429 HydrophobicContact CG2-CZ 4.33Å; V398-L430 HydrophobicContact CG2-CD1 4.25Å; V398-M437 HydrophobicContact CG1-CE 3.59Å; V398-M437 HydrophobicContact CG1-SD 4.13Å; V398-Y489 WeakPolarHBondContact CG2-OH 3.4Å |
| 399 | L | 96.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 179 | -177.9 | 64 | 0 | 0 | 0 | 111.3 | D396 Y402 Q403 | D396-L399 PolarHBondContact O-N 2.88Å; D396-L399 VanDerWaalsContact O-N 3.14Å; L399-Y402 WeakPolarHBondContact O-CB 3.14Å; L399-Y402 PolarHBondContact O-N 3.27Å; L399-Q403 WeakPolarHBondContact O-CG 3.17Å; L399-Q403 PolarHBondContact O-N 2.76Å; L399-Q403 VanDerWaalsContact O-N 3.07Å |
| 400 | E | 96.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -50.6 | 174.4 | -71.9 | -67.5 | 155.3 | 0 | 0 | 110.5 | L390 V392 D396 Y402 Q403 Y404 F519 | L390-E400 HydrophobicContact CD2-CG 4.46Å; V392-E400 HydrophobicContact CG1-CG 4.24Å; D396-E400 WeakPolarHBondContact O-CG 3.37Å; D396-E400 PolarHBondContact O-N 3.27Å; E400-Y402 VanDerWaalsContact C-N 3.3Å; E400-Y402 PolarHBondContact O-N 3.47Å; E400-Q403 WeakPolarHBondContact O-CB 3.41Å; E400-Q403 PolarHBondContact O-N 2.96Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; E400-Y404 VanDerWaalsContact O-CD2 3.27Å; E400-Y404 WeakPolarHBondContact O-CD2 3.35Å; E400-Y404 PolarHBondContact O-N 2.84Å; E400-Y404 VanDerWaalsContact O-N 3.17Å; E400-F519 HydrophobicContact CB-CE1 4.02Å; E400-F519 HydrophobicContact CB-CE2 4.4Å; E400-F519 HydrophobicContact CB-CZ 3.66Å |
| 401 | L | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55 | -47.8 | 177.2 | 176.5 | 66.8 | 0 | 0 | 0 | 111.6 | K397 V398 Q403 Y404 L405 V419 L430 L434 V487 Y489 F519 | K397-L401 WeakPolarHBondContact O-CB 3.29Å; K397-L401 PolarHBondContact O-N 3.33Å; V398-L401 PolarHBondContact O-N 3.28Å; L401-Q403 VanDerWaalsContact C-N 3.29Å; L401-Q403 PolarHBondContact O-N 3.21Å; L401-Y404 PolarHBondContact O-N 2.91Å; L401-L405 HydrophobicContact CD1-CD1 4.06Å; L401-L405 HydrophobicContact CD1-CD2 4.34Å; L401-L405 HydrophobicContact CD1-CG 3.95Å; L401-L405 HydrophobicContact CD2-CD1 4.25Å; L401-L405 HydrophobicContact CG-CD1 3.82Å; L401-L405 HydrophobicContact CG-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.2Å; L401-L405 PolarHBondContact O-N 2.73Å; L401-V419 HydrophobicContact CD1-CG1 4.25Å; L401-V419 HydrophobicContact CD1-CG2 4.04Å; L401-V419 HydrophobicContact CD2-CG1 4.12Å; L401-L430 HydrophobicContact CD2-CD1 3.76Å; L401-L430 HydrophobicContact CD2-CD2 3.73Å; L401-L430 HydrophobicContact CD2-CG 4.11Å; L401-L434 HydrophobicContact CD2-CD1 3.98Å; L401-L434 HydrophobicContact CD2-CD2 4.47Å; L401-V487 HydrophobicContact CD1-CB 4.08Å; L401-V487 HydrophobicContact CD1-CG1 3.83Å; L401-V487 HydrophobicContact CD1-CG2 3.92Å; L401-Y489 HydrophobicContact CB-CD2 4.48Å; L401-Y489 HydrophobicContact CD2-CD2 4.08Å; L401-Y489 HydrophobicContact CD2-CE2 4.43Å; L401-F519 HydrophobicContact CB-CE2 4.1Å; L401-F519 HydrophobicContact CB-CZ 4.35Å |
| 402 | Y | 96.5 | Very high | 91.5 | Very high | 77 Ų | 77 | 66.6 Ų | 66.6 | 30% | 0.302 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.2 | -43.8 | 179.2 | 174.1 | -96.6 | 0 | 0 | 0 | 111.8 | V398 L399 E400 Y404 L405 N406 M437 V439 | V398-Y402 WeakPolarHBondContact O-CB 3.22Å; V398-Y402 PolarHBondContact O-N 3.39Å; L399-Y402 WeakPolarHBondContact O-CB 3.14Å; L399-Y402 PolarHBondContact O-N 3.27Å; E400-Y402 VanDerWaalsContact C-N 3.3Å; E400-Y402 PolarHBondContact O-N 3.47Å; Y402-Y404 PolarHBondContact O-N 2.99Å; Y402-L405 PolarHBondContact O-N 3.36Å; Y402-N406 VanDerWaalsContact O-CB 3.29Å; Y402-N406 WeakPolarHBondContact O-CB 3.3Å; Y402-N406 PolarHBondContact O-N 3.4Å; Y402-M437 HydrophobicContact CD2-CB 4.02Å; Y402-M437 HydrophobicContact CD2-SD 3.9Å; Y402-M437 HydrophobicContact CE2-CB 4.06Å; Y402-M437 HydrophobicContact CG-SD 4.04Å; Y402-V439 HydrophobicContact CD2-CG2 3.69Å; Y402-V439 HydrophobicContact CE2-CG2 3.71Å |
| 403 | Q | 94.8 | Very high | 90 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.8 | -68.3 | 174.6 | 12.4 | 0 | 0 | 112.2 | L399 E400 L401 N406 K407 | L399-Q403 WeakPolarHBondContact O-CG 3.17Å; L399-Q403 PolarHBondContact O-N 2.76Å; L399-Q403 VanDerWaalsContact O-N 3.07Å; E400-Q403 WeakPolarHBondContact O-CB 3.41Å; E400-Q403 PolarHBondContact O-N 2.96Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; L401-Q403 VanDerWaalsContact C-N 3.29Å; L401-Q403 PolarHBondContact O-N 3.21Å; Q403-N406 PolarHBondContact O-N 3.3Å; Q403-K407 WeakPolarHBondContact O-CB 3.27Å; Q403-K407 PolarHBondContact O-N 3.11Å |
| 404 | Y | 94.3 | Very high | 88.9 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 177.3 | -79.3 | -86 | 0 | 0 | 0 | 112.6 | E400 L401 Y402 N406 K407 L408 L517 | E400-Y404 VanDerWaalsContact O-CD2 3.27Å; E400-Y404 WeakPolarHBondContact O-CD2 3.35Å; E400-Y404 PolarHBondContact O-N 2.84Å; E400-Y404 VanDerWaalsContact O-N 3.17Å; L401-Y404 PolarHBondContact O-N 2.91Å; Y402-Y404 PolarHBondContact O-N 2.99Å; Y404-N406 VanDerWaalsContact C-N 3.35Å; Y404-K407 PolarHBondContact O-N 3.18Å; Y404-L408 WeakPolarHBondContact O-CB 3.21Å; Y404-L408 PolarHBondContact O-N 3.06Å; Y404-L517 HydrophobicContact CD1-CD2 3.73Å; Y404-L517 HydrophobicContact CD2-CD2 3.33Å; Y404-L517 HydrophobicContact CE1-CD1 4.19Å; Y404-L517 HydrophobicContact CE1-CD2 3.88Å; Y404-L517 HydrophobicContact CE2-CD1 4.19Å; Y404-L517 HydrophobicContact CE2-CD2 3.54Å; Y404-L517 HydrophobicContact CG-CD2 3.45Å; Y404-L517 VanDerWaalsContact CG-CD2 3.45Å |
| 405 | L | 94.8 | Very high | 88.2 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 175.9 | -67.9 | -179.5 | 0 | 0 | 0 | 111.6 | L401 Y402 L408 Q409 A417 L434 V439 V467 | L401-L405 HydrophobicContact CD1-CD1 4.06Å; L401-L405 HydrophobicContact CD1-CD2 4.34Å; L401-L405 HydrophobicContact CD1-CG 3.95Å; L401-L405 HydrophobicContact CD2-CD1 4.25Å; L401-L405 HydrophobicContact CG-CD1 3.82Å; L401-L405 HydrophobicContact CG-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.2Å; L401-L405 PolarHBondContact O-N 2.73Å; Y402-L405 PolarHBondContact O-N 3.36Å; L405-L408 PolarHBondContact O-N 2.78Å; L405-Q409 WeakPolarHBondContact O-CG 3.22Å; L405-Q409 PolarHBondContact O-N 2.89Å; L405-Q409 VanDerWaalsContact O-N 3.11Å; L405-A417 HydrophobicContact CD2-CB 3.49Å; L405-A417 VanDerWaalsContact CD2-CB 3.49Å; L405-L434 HydrophobicContact CD1-CD1 4.11Å; L405-L434 HydrophobicContact CD1-CD2 4.27Å; L405-V439 HydrophobicContact CD1-CG1 4.21Å; L405-V467 HydrophobicContact CD1-CG1 4.1Å; L405-V467 HydrophobicContact CD1-CG2 4.47Å; L405-V467 HydrophobicContact CD2-CG1 4.19Å; L405-V467 HydrophobicContact CD2-CG2 4.07Å |
| 406 | N | 91.9 | Very high | 88.1 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 177.6 | -164.3 | 22.6 | 0 | 0 | 0 | 111.3 | Y402 Q403 Y404 L408 Q409 H410 | Y402-N406 VanDerWaalsContact O-CB 3.29Å; Y402-N406 WeakPolarHBondContact O-CB 3.3Å; Y402-N406 PolarHBondContact O-N 3.4Å; Q403-N406 PolarHBondContact O-N 3.3Å; Y404-N406 VanDerWaalsContact C-N 3.35Å; N406-L408 VanDerWaalsContact C-N 3.33Å; N406-L408 PolarHBondContact O-N 3.43Å; N406-Q409 PolarHBondContact O-N 2.87Å; N406-H410 PolarHBondContact O-CD2 3.11Å; N406-H410 PolarHBondContact O-N 3.45Å; N406-H410 PolarHBondContact OD1-CD2 3.09Å; N406-H410 VanDerWaalsContact OD1-CD2 3.24Å; N406-H410 PolarHBondContact OD1-NE2 2.65Å |
| 407 | K | 90.8 | Very high | 88.1 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 45% | 0.452 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 173.5 | -178.9 | 172.1 | -179.5 | -77.2 | 0 | 111.7 | Q403 Y404 Q409 H410 E411 | Q403-K407 WeakPolarHBondContact O-CB 3.27Å; Q403-K407 PolarHBondContact O-N 3.11Å; Y404-K407 PolarHBondContact O-N 3.18Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 3.42Å; K407-H410 PolarHBondContact O-N 3.02Å; K407-E411 WeakPolarHBondContact CE-OE1 3.36Å; K407-E411 HydrophobicContact CG-CG 4.48Å; K407-E411 IonicContact NZ-OE1 3.51Å; K407-E411 PolarHBondContact NZ-OE1 3.18Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 3.19Å |
| 408 | L | 89.1 | Confident | 88.1 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 178.2 | -175 | 69.8 | 0 | 0 | 0 | 112.6 | Y404 L405 N406 H410 A417 R484 L485 | Y404-L408 WeakPolarHBondContact O-CB 3.21Å; Y404-L408 PolarHBondContact O-N 3.06Å; L405-L408 PolarHBondContact O-N 2.78Å; N406-L408 VanDerWaalsContact C-N 3.33Å; N406-L408 PolarHBondContact O-N 3.43Å; L408-H410 VanDerWaalsContact C-N 3.31Å; L408-H410 PolarHBondContact O-N 3.16Å; L408-A417 HydrophobicContact CD2-CB 3.78Å; L408-R484 HydrophobicContact CD1-CB 4.22Å; L408-R484 HydrophobicContact CD1-CG 3.98Å; L408-L485 HydrophobicContact CD1-CB 4.33Å; L408-L485 HydrophobicContact CD2-CB 3.89Å; L408-L485 HydrophobicContact CD2-CD2 4.21Å |
| 409 | Q | 84.3 | Confident | 88.1 | Confident | 108 Ų | 108 | 56.9 Ų | 56.9 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -31.4 | 178.2 | -73.3 | 178.9 | -4.7 | 0 | 0 | 112.9 | L405 N406 K407 | L405-Q409 WeakPolarHBondContact O-CG 3.22Å; L405-Q409 PolarHBondContact O-N 2.89Å; L405-Q409 VanDerWaalsContact O-N 3.11Å; N406-Q409 PolarHBondContact O-N 2.87Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 3.42Å |
| 410 | H | 82.8 | Confident | 88.2 | Confident | 147 Ų | 147 | 52.5 Ų | 52.5 | 68% | 0.681 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -93.1 | -12 | -178.2 | -71.9 | -62.9 | 0 | 0 | 0 | 114.5 | N406 K407 L408 | N406-H410 PolarHBondContact O-CD2 3.11Å; N406-H410 PolarHBondContact O-N 3.45Å; N406-H410 PolarHBondContact OD1-CD2 3.09Å; N406-H410 VanDerWaalsContact OD1-CD2 3.24Å; N406-H410 PolarHBondContact OD1-NE2 2.65Å; K407-H410 PolarHBondContact O-N 3.02Å; L408-H410 VanDerWaalsContact C-N 3.31Å; L408-H410 PolarHBondContact O-N 3.16Å |
| 411 | E | 79.6 | Confident | 88.2 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -68.9 | 140.2 | 176.3 | -83.5 | 178.5 | -177.4 | 0 | 0 | 112.2 | K407 G413 G414 R484 | K407-E411 WeakPolarHBondContact CE-OE1 3.36Å; K407-E411 HydrophobicContact CG-CG 4.48Å; K407-E411 IonicContact NZ-OE1 3.51Å; K407-E411 PolarHBondContact NZ-OE1 3.18Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 3.19Å; E411-G413 PolarHBondContact O-N 2.99Å; E411-G414 PolarHBondContact O-N 2.97Å; E411-G414 VanDerWaalsContact O-N 3.13Å; E411-R484 IonicContact OE2-CZ 3.49Å; E411-R484 IonicContact OE2-NE 3.55Å; E411-R484 IonicContact OE2-NH2 2.73Å; E411-R484 PolarHBondContact OE2-NH2 2.86Å |
| 412 | K | 60.3 | Low | 88 | Confident | 207 Ų | 207 | 52.2 Ų | 52.2 | 90% | 0.9 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 122.9 | 176 | -71.8 | -174.4 | 177.7 | -177 | 0 | 109.5 | ||
| 413 | G | 64.3 | Low | 87.9 | Confident | 82 Ų | 82 | 55 Ų | 55 | 85% | 0.845 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.6 | -16.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | E411 | E411-G413 PolarHBondContact O-N 2.99Š|
| 414 | G | 73.3 | Confident | 87.9 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | trans | 57.9 | -167.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E411 R484 | E411-G414 PolarHBondContact O-N 2.97Å; E411-G414 VanDerWaalsContact O-N 3.13Å; G414-R484 VanDerWaalsContact O-CD 3.29Å; G414-R484 WeakPolarHBondContact O-CD 3.49Å | ||
| 415 | G | 80.3 | Confident | 88 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 24% | 0.237 | 29% | 0.29 | C | S | . | . | trans | 166.3 | 160.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 416 | A | 92.8 | Very high | 88 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 145.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F460 N466 R482 V483 R484 L485 | A416-F460 HydrophobicContact CB-CE2 3.8Å; A416-F460 HydrophobicContact CB-CZ 3.72Å; A416-N466 CarbonylContact C-O 3.45Å; A416-N466 WeakPolarHBondContact CA-O 3.32Å; A416-N466 WeakPolarHBondContact CB-O 3.3Å; A416-R482 WeakPolarHBondContact CB-O 3.4Å; A416-R482 PolarHBondContact N-O 3.14Å; A416-V483 HydrophobicContact CB-CG2 4.46Å; A416-V483 WeakPolarHBondContact O-CA 3.17Å; A416-R484 PolarHBondContact O-N 3.11Å; A416-L485 PolarHBondContact O-N 2.83Å |
| 417 | A | 95.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L405 L408 N466 V467 L468 L485 | L405-A417 HydrophobicContact CD2-CB 3.49Å; L405-A417 VanDerWaalsContact CD2-CB 3.49Å; L408-A417 HydrophobicContact CD2-CB 3.78Å; A417-N466 PolarHBondContact N-O 2.95Å; A417-V467 HydrophobicContact CB-CG2 4.41Å; A417-V467 WeakPolarHBondContact O-CA 3.4Å; A417-L468 PolarHBondContact O-N 3.27Å; A417-L485 CarbonylContact C-O 3.58Å; A417-L485 VanDerWaalsContact CA-O 3.23Å; A417-L485 WeakPolarHBondContact CA-O 3.39Å; A417-L485 HydrophobicContact CB-CB 4.3Å; A417-L485 HydrophobicContact CB-CD2 4.39Å |
| 418 | L | 96.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.8 | 172.3 | -169.2 | 65.4 | 0 | 0 | 0 | 109.2 | F420 L468 C470 T480 V483 L485 V486 V487 R504 | L418-F420 HydrophobicContact CB-CE2 4.45Å; L418-F420 HydrophobicContact CD2-CD2 4.47Å; L418-F420 HydrophobicContact CD2-CE2 3.44Å; L418-F420 VanDerWaalsContact CD2-CE2 3.44Å; L418-F420 HydrophobicContact CD2-CZ 3.55Å; L418-F420 HydrophobicContact CG-CD2 4.28Å; L418-F420 HydrophobicContact CG-CE2 3.68Å; L418-F420 HydrophobicContact CG-CZ 4.09Å; L418-L468 HydrophobicContact CD1-CB 3.79Å; L418-L468 HydrophobicContact CD1-CD2 3.66Å; L418-L468 HydrophobicContact CD1-CG 3.86Å; L418-C470 VanDerWaalsContact CD1-SG 3.55Å; L418-T480 HydrophobicContact CD2-CG2 3.99Å; L418-V483 HydrophobicContact CB-CG1 3.91Å; L418-V483 HydrophobicContact CB-CG2 4.37Å; L418-L485 PolarHBondContact N-O 3.48Å; L418-V486 HydrophobicContact CB-CG2 4.36Å; L418-V486 CarbonylContact O-C 3.59Å; L418-V486 WeakPolarHBondContact O-CA 3.28Å; L418-V487 PolarHBondContact O-N 2.81Å; L418-R504 HydrophobicContact CD2-CB 3.81Å; L418-R504 HydrophobicContact CD2-CG 3.74Å |
| 419 | V | 97.9 | Very high | 89 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.1 | -173.8 | -174 | 0 | 0 | 0 | 0 | 109.4 | L401 L430 V467 L468 I469 C470 V487 | L401-V419 HydrophobicContact CD1-CG1 4.25Å; L401-V419 HydrophobicContact CD1-CG2 4.04Å; L401-V419 HydrophobicContact CD2-CG1 4.12Å; V419-L430 HydrophobicContact CG1-CD2 3.79Å; V419-V467 HydrophobicContact CG2-CG1 4.21Å; V419-L468 PolarHBondContact N-O 3.25Å; V419-I469 HydrophobicContact CB-CG1 4.41Å; V419-I469 HydrophobicContact CB-CG2 4.4Å; V419-I469 HydrophobicContact CG1-CG2 4.46Å; V419-I469 CarbonylContact O-C 3.55Å; V419-I469 WeakPolarHBondContact O-CA 3.28Å; V419-C470 PolarHBondContact O-N 3.09Å; V419-V487 CarbonylContact C-O 3.52Å; V419-V487 WeakPolarHBondContact CA-O 3.1Å; V419-V487 HydrophobicContact CG1-CB 4.34Å; V419-V487 HydrophobicContact CG2-CB 4.3Å; V419-V487 HydrophobicContact CG2-CG2 4.46Å |
| 420 | F | 98 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.4 | -177.5 | -76.4 | -89.5 | 0 | 0 | 0 | 112.8 | L418 C470 S475 V486 V487 Y489 D490 R501 R504 | L418-F420 HydrophobicContact CB-CE2 4.45Å; L418-F420 HydrophobicContact CD2-CD2 4.47Å; L418-F420 HydrophobicContact CD2-CE2 3.44Å; L418-F420 VanDerWaalsContact CD2-CE2 3.44Å; L418-F420 HydrophobicContact CD2-CZ 3.55Å; L418-F420 HydrophobicContact CG-CD2 4.28Å; L418-F420 HydrophobicContact CG-CE2 3.68Å; L418-F420 HydrophobicContact CG-CZ 4.09Å; F420-C470 WeakPolarHBondContact CA-O 3.42Å; F420-S475 WeakPolarHBondContact CE1-OG 3.24Å; F420-V486 HydrophobicContact CD2-CG1 3.93Å; F420-V486 HydrophobicContact CE2-CG1 3.95Å; F420-V487 PolarHBondContact N-O 3.26Å; F420-Y489 WeakPolarHBondContact O-CB 3.37Å; F420-Y489 PolarHBondContact O-N 2.76Å; F420-D490 PolarHBondContact O-N 2.86Å; F420-D490 VanDerWaalsContact O-N 3.16Å; F420-R501 HydrophobicContact CB-CG 4.48Å; F420-R501 HydrophobicContact CD1-CG 3.68Å; F420-R501 HydrophobicContact CD2-CB 4.01Å; F420-R501 HydrophobicContact CD2-CG 3.9Å; F420-R501 HydrophobicContact CE1-CB 4.46Å; F420-R501 HydrophobicContact CE1-CG 3.66Å; F420-R501 HydrophobicContact CE2-CB 3.86Å; F420-R501 HydrophobicContact CE2-CG 3.92Å; F420-R501 HydrophobicContact CG-CB 4.4Å; F420-R501 HydrophobicContact CG-CG 3.78Å; F420-R501 HydrophobicContact CZ-CB 4.12Å; F420-R501 HydrophobicContact CZ-CG 3.81Å; F420-R504 HydrophobicContact CE2-CG 4.28Å; F420-R504 HydrophobicContact CZ-CG 4Å |
| 421 | C | 97.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -124.1 | 149.1 | 169.3 | -49.6 | 0 | 0 | 0 | 0 | 109.9 | T426 V427 C470 T471 | C421-T426 HydrophobicContact CB-CG2 3.91Å; C421-V427 HydrophobicContact CB-CG2 3.75Å; C421-C470 PolarHBondContact N-O 3.33Å; C421-T471 WeakPolarHBondContact O-CA 3.48Å | ||
| 422 | N | 94.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -76.9 | -29 | -178.9 | -63.6 | 4.4 | 0 | 0 | 0 | 111.2 | D490 F491 E493 R501 | N422-D490 HydrophobicContact CB-CB 4.25Å; N422-D490 PolarHBondContact N-OD2 3.47Å; N422-D490 VanDerWaalsContact N-OD2 3.08Å; N422-D490 WeakPolarHBondContact OD1-CB 3.38Å; N422-F491 PolarHBondContact ND2-O 3.41Å; N422-F491 VanDerWaalsContact ND2-O 3.14Å; N422-F491 PolarHBondContact OD1-O 2.99Å; N422-E493 WeakPolarHBondContact ND2-CG 3.34Å; N422-E493 PolarHBondContact ND2-OE1 3.37Å; N422-R501 PolarHBondContact OD1-NH2 3.26Å |
| 423 | K | 93.9 | Very high | 92.9 | Very high | 135 Ų | 135 | 36 Ų | 36 | 59% | 0.587 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -121.6 | 144.7 | -173.9 | -60.3 | -178.6 | -177.8 | -180 | 0 | 112.4 | S425 T426 V427 | K423-S425 PolarHBondContact O-N 3.46Å; K423-T426 PolarHBondContact O-N 3.02Å; K423-T426 VanDerWaalsContact O-N 3.12Å; K423-V427 PolarHBondContact O-N 2.86Å |
| 424 | S | 94.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.8 | -35.8 | 173.6 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | T426 V427 N428 E447 | S424-T426 PolarHBondContact O-N 3.47Å; S424-V427 WeakPolarHBondContact O-CB 3.39Å; S424-V427 PolarHBondContact O-N 3.45Å; S424-N428 PolarHBondContact O-N 3.37Å; S424-N428 PolarHBondContact O-ND2 3.47Å; S424-E447 PolarHBondContact OG-OE1 3.3Å |
| 425 | S | 95.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 55% | 0.552 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -61.4 | -41.6 | 175.9 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | K423 N428 F429 | K423-S425 PolarHBondContact O-N 3.46Å; S425-N428 PolarHBondContact O-N 3.17Å; S425-F429 WeakPolarHBondContact O-CB 3.33Å; S425-F429 PolarHBondContact O-N 2.74Å |
| 426 | T | 96.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 175.5 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | C421 K423 S424 N428 F429 L430 Y489 D490 | C421-T426 HydrophobicContact CB-CG2 3.91Å; K423-T426 PolarHBondContact O-N 3.02Å; K423-T426 VanDerWaalsContact O-N 3.12Å; S424-T426 PolarHBondContact O-N 3.47Å; T426-N428 VanDerWaalsContact C-N 3.29Å; T426-N428 PolarHBondContact O-N 3.18Å; T426-F429 PolarHBondContact O-N 2.96Å; T426-L430 VanDerWaalsContact O-CB 3.23Å; T426-L430 WeakPolarHBondContact O-CB 3.38Å; T426-L430 PolarHBondContact O-N 2.92Å; T426-Y489 HydrophobicContact CG2-CD1 3.95Å; T426-Y489 HydrophobicContact CG2-CE1 3.79Å; T426-D490 WeakPolarHBondContact CG2-OD2 3.25Å |
| 427 | V | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | C421 K423 S424 G431 R443 Q445 I469 T471 | C421-V427 HydrophobicContact CB-CG2 3.75Å; K423-V427 PolarHBondContact O-N 2.86Å; S424-V427 WeakPolarHBondContact O-CB 3.39Å; S424-V427 PolarHBondContact O-N 3.45Å; V427-G431 PolarHBondContact O-N 2.68Å; V427-R443 HydrophobicContact CG1-CB 3.91Å; V427-R443 HydrophobicContact CG1-CG 4.04Å; V427-Q445 HydrophobicContact CB-CG 3.99Å; V427-Q445 HydrophobicContact CG1-CG 3.77Å; V427-Q445 HydrophobicContact CG2-CG 4.31Å; V427-I469 HydrophobicContact CB-CG2 4.28Å; V427-I469 HydrophobicContact CG1-CB 4.12Å; V427-I469 HydrophobicContact CG1-CG2 3.82Å; V427-I469 HydrophobicContact CG2-CG2 4.3Å; V427-T471 HydrophobicContact CG2-CG2 3.83Å |
| 428 | N | 96.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 56 Ų | 56 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.8 | -49.7 | 177.8 | -73.6 | -38.9 | 0 | 0 | 0 | 112.1 | S424 S425 T426 L430 G431 Y432 R443 Q445 | S424-N428 PolarHBondContact O-N 3.37Å; S424-N428 PolarHBondContact O-ND2 3.47Å; S425-N428 PolarHBondContact O-N 3.17Å; T426-N428 VanDerWaalsContact C-N 3.29Å; T426-N428 PolarHBondContact O-N 3.18Å; N428-L430 PolarHBondContact O-N 3.47Å; N428-G431 PolarHBondContact O-N 3.01Å; N428-Y432 HydrophobicContact CB-CE2 4.29Å; N428-Y432 WeakPolarHBondContact O-CD2 3.28Å; N428-Y432 PolarHBondContact O-N 3.03Å; N428-R443 PolarHBondContact OD1-NH1 2.66Å; N428-Q445 VanDerWaalsContact CG-NE2 3.28Å; N428-Q445 PolarHBondContact ND2-NE2 3.02Å; N428-Q445 PolarHBondContact ND2-OE1 2.82Å; N428-Q445 PolarHBondContact OD1-NE2 2.94Å |
| 429 | F | 97.3 | Very high | 96.3 | Very high | 114 Ų | 114 | 56.5 Ų | 56.5 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -52.8 | -53.4 | 175.6 | 166.4 | -100.5 | 0 | 0 | 0 | 111.2 | V398 S425 T426 G431 Y432 S433 | V398-F429 HydrophobicContact CG2-CE1 3.98Å; V398-F429 HydrophobicContact CG2-CZ 4.33Å; S425-F429 WeakPolarHBondContact O-CB 3.33Å; S425-F429 PolarHBondContact O-N 2.74Å; T426-F429 PolarHBondContact O-N 2.96Å; F429-G431 VanDerWaalsContact C-N 3.29Å; F429-G431 PolarHBondContact O-N 2.94Å; F429-Y432 PolarHBondContact O-N 3.42Å; F429-S433 PolarHBondContact O-N 3.47Å; F429-S433 PolarHBondContact O-OG 3.48Å |
| 430 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -36.8 | -177.6 | -172.8 | 59.7 | 0 | 0 | 0 | 112.1 | V398 L401 V419 T426 N428 S433 L434 I469 Y489 | V398-L430 HydrophobicContact CG2-CD1 4.25Å; L401-L430 HydrophobicContact CD2-CD1 3.76Å; L401-L430 HydrophobicContact CD2-CD2 3.73Å; L401-L430 HydrophobicContact CD2-CG 4.11Å; V419-L430 HydrophobicContact CG1-CD2 3.79Å; T426-L430 VanDerWaalsContact O-CB 3.23Å; T426-L430 WeakPolarHBondContact O-CB 3.38Å; T426-L430 PolarHBondContact O-N 2.92Å; N428-L430 PolarHBondContact O-N 3.47Å; L430-S433 PolarHBondContact O-N 3.06Å; L430-L434 HydrophobicContact CD1-CD1 4.37Å; L430-L434 HydrophobicContact CD1-CG 4.29Å; L430-L434 HydrophobicContact CG-CD1 4.1Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.34Å; L430-L434 WeakPolarHBondContact O-CG 3.27Å; L430-L434 PolarHBondContact O-N 3.43Å; L430-I469 HydrophobicContact CD2-CD1 4.43Å; L430-I469 HydrophobicContact CD2-CG2 3.92Å; L430-I469 HydrophobicContact CG-CD1 4.19Å; L430-Y489 HydrophobicContact CD1-CD2 4.3Å; L430-Y489 HydrophobicContact CD1-CE2 3.78Å; L430-Y489 HydrophobicContact CD2-CD1 4.3Å; L430-Y489 HydrophobicContact CD2-CD2 3.91Å; L430-Y489 HydrophobicContact CD2-CE2 4.19Å; L430-Y489 HydrophobicContact CD2-CG 3.96Å |
| 431 | G | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V427 N428 F429 S433 L434 E435 H441 | V427-G431 PolarHBondContact O-N 2.68Å; N428-G431 PolarHBondContact O-N 3.01Å; F429-G431 VanDerWaalsContact C-N 3.29Å; F429-G431 PolarHBondContact O-N 2.94Å; G431-S433 PolarHBondContact O-N 2.9Å; G431-L434 PolarHBondContact O-N 3.21Å; G431-E435 WeakPolarHBondContact O-CB 3.18Å; G431-E435 PolarHBondContact O-N 2.94Å; G431-H441 WeakPolarHBondContact CA-NE2 3.23Å; G431-H441 PolarHBondContact O-CE1 2.93Å; G431-H441 PolarHBondContact O-NE2 2.79Å |
| 432 | Y | 97.5 | Very high | 95.9 | Very high | 126 Ų | 126 | 65.2 Ų | 65.2 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.1 | -62.9 | -52 | 0 | 0 | 0 | 111.9 | N428 F429 L434 E435 E436 | N428-Y432 HydrophobicContact CB-CE2 4.29Å; N428-Y432 WeakPolarHBondContact O-CD2 3.28Å; N428-Y432 PolarHBondContact O-N 3.03Å; F429-Y432 PolarHBondContact O-N 3.42Å; Y432-L434 VanDerWaalsContact C-N 3.33Å; Y432-L434 PolarHBondContact O-N 3Å; Y432-E435 WeakPolarHBondContact O-CB 3.03Å; Y432-E435 PolarHBondContact O-N 3.22Å; Y432-E436 PolarHBondContact O-N 2.88Å; Y432-E436 VanDerWaalsContact O-N 3.08Å |
| 433 | S | 97.2 | Very high | 96 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.7 | -58 | 0 | 0 | 0 | 0 | 112.8 | F429 L430 G431 M437 | F429-S433 PolarHBondContact O-N 3.47Å; F429-S433 PolarHBondContact O-OG 3.48Å; L430-S433 PolarHBondContact O-N 3.06Å; G431-S433 PolarHBondContact O-N 2.9Å; S433-M437 WeakPolarHBondContact O-CG 3.21Å; S433-M437 PolarHBondContact O-N 2.88Å |
| 434 | L | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.7 | -29 | 179.9 | -73.9 | 179.7 | 0 | 0 | 0 | 112.6 | L401 L405 L430 G431 Y432 M437 K438 V439 I469 | L401-L434 HydrophobicContact CD2-CD1 3.98Å; L401-L434 HydrophobicContact CD2-CD2 4.47Å; L405-L434 HydrophobicContact CD1-CD1 4.11Å; L405-L434 HydrophobicContact CD1-CD2 4.27Å; L430-L434 HydrophobicContact CD1-CD1 4.37Å; L430-L434 HydrophobicContact CD1-CG 4.29Å; L430-L434 HydrophobicContact CG-CD1 4.1Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.34Å; L430-L434 WeakPolarHBondContact O-CG 3.27Å; L430-L434 PolarHBondContact O-N 3.43Å; G431-L434 PolarHBondContact O-N 3.21Å; Y432-L434 VanDerWaalsContact C-N 3.33Å; Y432-L434 PolarHBondContact O-N 3Å; L434-M437 CarbonylContact O-C 3.54Å; L434-M437 PolarHBondContact O-N 3.24Å; L434-K438 PolarHBondContact O-N 3.27Å; L434-V439 HydrophobicContact CB-CB 4.21Å; L434-V439 HydrophobicContact CD2-CB 4.35Å; L434-V439 HydrophobicContact CD2-CG2 4.24Å; L434-V439 PolarHBondContact O-N 2.65Å; L434-I469 HydrophobicContact CD1-CD1 3.8Å |
| 435 | E | 96.2 | Very high | 95.8 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 172.5 | -169.9 | 165.2 | -158 | 0 | 0 | 111.4 | G431 Y432 M437 K438 | G431-E435 WeakPolarHBondContact O-CB 3.18Å; G431-E435 PolarHBondContact O-N 2.94Å; Y432-E435 WeakPolarHBondContact O-CB 3.03Å; Y432-E435 PolarHBondContact O-N 3.22Å; E435-M437 PolarHBondContact O-N 3.02Å; E435-K438 WeakPolarHBondContact O-CA 3.42Å; E435-K438 PolarHBondContact O-N 3.45Å |
| 436 | E | 96.1 | Very high | 95.2 | Very high | 166 Ų | 166 | 56.7 Ų | 56.7 | 78% | 0.776 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.4 | -36.5 | 172.9 | -71.1 | 179.2 | 178.5 | 0 | 0 | 112 | Y432 K438 | Y432-E436 PolarHBondContact O-N 2.88Å; Y432-E436 VanDerWaalsContact O-N 3.08Å; E436-K438 PolarHBondContact O-N 3.03Å |
| 437 | M | 95.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 6.2 | 174.4 | -63.2 | 180 | -173.5 | 0 | 0 | 113.7 | V398 Y402 S433 L434 E435 V439 | V398-M437 HydrophobicContact CG1-CE 3.59Å; V398-M437 HydrophobicContact CG1-SD 4.13Å; Y402-M437 HydrophobicContact CD2-CB 4.02Å; Y402-M437 HydrophobicContact CD2-SD 3.9Å; Y402-M437 HydrophobicContact CE2-CB 4.06Å; Y402-M437 HydrophobicContact CG-SD 4.04Å; S433-M437 WeakPolarHBondContact O-CG 3.21Å; S433-M437 PolarHBondContact O-N 2.88Å; L434-M437 CarbonylContact O-C 3.54Å; L434-M437 PolarHBondContact O-N 3.24Å; E435-M437 PolarHBondContact O-N 3.02Å; M437-V439 HydrophobicContact CB-CG2 4.33Å; M437-V439 PolarHBondContact O-N 3.37Å |
| 438 | K | 95.2 | Very high | 94 | Very high | 195 Ų | 195 | 65.3 Ų | 65.3 | 85% | 0.848 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 27.9 | 179 | -54.9 | -179.8 | -179.7 | 177.6 | 0 | 114.2 | L434 E435 E436 | L434-K438 PolarHBondContact O-N 3.27Å; E435-K438 WeakPolarHBondContact O-CA 3.42Å; E435-K438 PolarHBondContact O-N 3.45Å; E436-K438 PolarHBondContact O-N 3.03Å |
| 439 | V | 94.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | trans | -87.3 | 116.4 | 175.2 | 179 | 0 | 0 | 0 | 0 | 109.4 | Y402 L405 L434 M437 H441 V467 | Y402-V439 HydrophobicContact CD2-CG2 3.69Å; Y402-V439 HydrophobicContact CE2-CG2 3.71Å; L405-V439 HydrophobicContact CD1-CG1 4.21Å; L434-V439 HydrophobicContact CB-CB 4.21Å; L434-V439 HydrophobicContact CD2-CB 4.35Å; L434-V439 HydrophobicContact CD2-CG2 4.24Å; L434-V439 PolarHBondContact O-N 2.65Å; M437-V439 HydrophobicContact CB-CG2 4.33Å; M437-V439 PolarHBondContact O-N 3.37Å; V439-H441 PolarHBondContact O-N 3.2Å; V439-H441 PolarHBondContact O-ND1 3.23Å; V439-V467 HydrophobicContact CG1-CG2 4.38Å | ||
| 440 | K | 94 | Very high | 92.6 | Very high | 135 Ų | 135 | 62.5 Ų | 62.5 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | trans | -67.3 | 117.3 | 174.9 | -169.1 | -176.1 | -169.9 | -174 | 0 | 110.4 | T464 | K440-T464 VanDerWaalsContact CE-O 3.28Å; K440-T464 WeakPolarHBondContact CE-O 3.5Å; K440-T464 PolarHBondContact NZ-O 3.32Å | ||
| 441 | H | 95.9 | Very high | 91.9 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | trans | -145.2 | 169.8 | -178.4 | 67.2 | -82 | 0 | 0 | 0 | 111.3 | G431 V439 V467 I469 | G431-H441 WeakPolarHBondContact CA-NE2 3.23Å; G431-H441 PolarHBondContact O-CE1 2.93Å; G431-H441 PolarHBondContact O-NE2 2.79Å; V439-H441 PolarHBondContact O-N 3.2Å; V439-H441 PolarHBondContact O-ND1 3.23Å; H441-V467 CarbonylContact C-O 3.51Å; H441-V467 VanDerWaalsContact CA-O 3.24Å; H441-V467 WeakPolarHBondContact CA-O 3.45Å; H441-V467 HydrophobicContact CB-CB 3.83Å; H441-V467 HydrophobicContact CB-CG1 3.93Å; H441-I469 HydrophobicContact CB-CD1 4.41Å; H441-I469 VanDerWaalsContact CD2-CD1 3.46Å; H441-I469 WeakPolarHBondContact CD2-CD1 3.39Å | ||
| 442 | A | 95.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 70 Ų | 70 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I456 V465 V467 L468 I469 | A442-I456 HydrophobicContact CB-CG2 3.82Å; A442-V465 HydrophobicContact CB-CG1 3.96Å; A442-V467 PolarHBondContact N-O 3.04Å; A442-L468 HydrophobicContact CB-CD1 3.93Å; A442-I469 PolarHBondContact O-N 3.38Å |
| 443 | R | 95.8 | Very high | 91 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.5 | 179 | -65.2 | -180 | -69.9 | -172.1 | 1.9 | 109.7 | V427 N428 I456 I469 | V427-R443 HydrophobicContact CG1-CB 3.91Å; V427-R443 HydrophobicContact CG1-CG 4.04Å; N428-R443 PolarHBondContact OD1-NH1 2.66Å; R443-I456 WeakPolarHBondContact O-CD1 3.29Å; R443-I469 CarbonylContact C-O 3.52Å; R443-I469 WeakPolarHBondContact CA-O 3.34Å |
| 444 | L | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 114.5 | 179.5 | -170.3 | 72.3 | 0 | 0 | 0 | 110.8 | R453 I456 L468 I469 C470 T471 A474 L478 | L444-R453 HydrophobicContact CD1-CB 3.69Å; L444-R453 HydrophobicContact CD1-CG 3.84Å; L444-I456 HydrophobicContact CB-CG2 4.49Å; L444-I456 HydrophobicContact CD1-CB 4.33Å; L444-I456 HydrophobicContact CD1-CG2 4.13Å; L444-L468 HydrophobicContact CB-CD1 3.91Å; L444-L468 HydrophobicContact CB-CG 4.5Å; L444-L468 HydrophobicContact CD2-CD2 4.29Å; L444-I469 PolarHBondContact N-O 2.91Å; L444-C470 HydrophobicContact CB-CB 4.06Å; L444-C470 WeakPolarHBondContact O-CA 3.16Å; L444-C470 WeakPolarHBondContact O-CB 3.3Å; L444-T471 PolarHBondContact O-N 2.87Å; L444-A474 HydrophobicContact CD2-CB 4.33Å; L444-A474 VanDerWaalsContact CD2-O 3.23Å; L444-A474 WeakPolarHBondContact CD2-O 3.21Å; L444-A474 HydrophobicContact CG-CB 3.98Å; L444-A474 WeakPolarHBondContact O-CB 3.3Å; L444-L478 HydrophobicContact CD2-CD1 3.72Å |
| 445 | Q | 90.5 | Very high | 89.9 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | trans | -131.6 | 153.2 | -174 | -58.3 | 163.4 | 17.7 | 0 | 0 | 110.4 | V427 N428 E447 M448 R453 | V427-Q445 HydrophobicContact CB-CG 3.99Å; V427-Q445 HydrophobicContact CG1-CG 3.77Å; V427-Q445 HydrophobicContact CG2-CG 4.31Å; N428-Q445 VanDerWaalsContact CG-NE2 3.28Å; N428-Q445 PolarHBondContact ND2-NE2 3.02Å; N428-Q445 PolarHBondContact ND2-OE1 2.82Å; N428-Q445 PolarHBondContact OD1-NE2 2.94Å; Q445-E447 VanDerWaalsContact C-N 3.32Å; Q445-E447 PolarHBondContact O-N 3.07Å; Q445-M448 HydrophobicContact CB-CG 4.08Å; Q445-M448 HydrophobicContact CB-SD 4.16Å; Q445-M448 PolarHBondContact N-SD 3.4Å; Q445-M448 VanDerWaalsContact N-SD 3.4Å; Q445-M448 WeakPolarHBondContact O-CB 3.27Å; Q445-M448 PolarHBondContact O-N 3.05Å; Q445-R453 VanDerWaalsContact O-CD 3.29Å; Q445-R453 WeakPolarHBondContact O-CD 3.46Å | ||
| 446 | G | 82.4 | Confident | 89.6 | Confident | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -37.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M448 R453 | G446-M448 PolarHBondContact O-N 2.85Å; G446-R453 PolarHBondContact O-NH1 3.06Å |
| 447 | E | 82.7 | Confident | 89.2 | Confident | 162 Ų | 162 | 57.5 Ų | 57.5 | 76% | 0.757 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.2 | -177.7 | -68.3 | 162.6 | -140.7 | 0 | 0 | 114 | S424 Q445 | S424-E447 PolarHBondContact OG-OE1 3.3Å; Q445-E447 VanDerWaalsContact C-N 3.32Å; Q445-E447 PolarHBondContact O-N 3.07Å |
| 448 | M | 87.6 | Confident | 88.8 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.9 | 144.5 | -179.1 | -62.9 | 177.1 | 78.1 | 0 | 0 | 111 | Q445 G446 A450 V452 R453 I456 | Q445-M448 HydrophobicContact CB-CG 4.08Å; Q445-M448 HydrophobicContact CB-SD 4.16Å; Q445-M448 PolarHBondContact N-SD 3.4Å; Q445-M448 VanDerWaalsContact N-SD 3.4Å; Q445-M448 WeakPolarHBondContact O-CB 3.27Å; Q445-M448 PolarHBondContact O-N 3.05Å; G446-M448 PolarHBondContact O-N 2.85Å; M448-A450 PolarHBondContact O-N 2.82Å; M448-V452 HydrophobicContact CE-CG1 3.76Å; M448-R453 HydrophobicContact CB-CG 3.66Å; M448-I456 HydrophobicContact CE-CD1 3.4Å; M448-I456 VanDerWaalsContact CE-CD1 3.4Å; M448-I456 HydrophobicContact SD-CD1 4.39Å |
| 449 | P | 85.4 | Confident | 88.6 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 59% | 0.591 | 28% | 0.28 | S | S | * | . | trans | -55.5 | 131.1 | 172.6 | -24 | 33.2 | 0 | 0 | 0 | 110.9 | V451 V452 R453 | P449-V451 PolarHBondContact O-N 2.93Å; P449-V451 VanDerWaalsContact O-N 3.08Å; P449-V452 HydrophobicContact CB-CG2 4.15Å; P449-V452 HydrophobicContact CG-CG2 4.43Å; P449-V452 WeakPolarHBondContact O-CA 3.23Å; P449-V452 WeakPolarHBondContact O-CB 3.46Å; P449-V452 PolarHBondContact O-N 2.77Å; P449-R453 PolarHBondContact O-N 2.9Å; P449-R453 VanDerWaalsContact O-N 3.1Å | ||
| 450 | A | 78.7 | Confident | 88.5 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 12% | 0.116 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -28 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M448 V452 R453 T454 | M448-A450 PolarHBondContact O-N 2.82Å; A450-V452 VanDerWaalsContact C-N 3.33Å; A450-R453 PolarHBondContact O-N 3.4Å; A450-T454 PolarHBondContact O-N 3.47Å; A450-T454 PolarHBondContact O-OG1 2.83Å |
| 451 | V | 82 | Confident | 88.2 | Confident | 89 Ų | 89 | 46.7 Ų | 46.7 | 54% | 0.539 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 173.2 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | P449 T454 G455 | P449-V451 PolarHBondContact O-N 2.93Å; P449-V451 VanDerWaalsContact O-N 3.08Å; V451-T454 PolarHBondContact O-N 2.94Å; V451-G455 PolarHBondContact O-N 2.98Å; V451-G455 VanDerWaalsContact O-N 3.15Å |
| 452 | V | 88.3 | Confident | 87.8 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 42% | 0.418 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | M448 P449 A450 T454 G455 I456 | M448-V452 HydrophobicContact CE-CG1 3.76Å; P449-V452 HydrophobicContact CB-CG2 4.15Å; P449-V452 HydrophobicContact CG-CG2 4.43Å; P449-V452 WeakPolarHBondContact O-CA 3.23Å; P449-V452 WeakPolarHBondContact O-CB 3.46Å; P449-V452 PolarHBondContact O-N 2.77Å; A450-V452 VanDerWaalsContact C-N 3.33Å; V452-T454 VanDerWaalsContact C-N 3.31Å; V452-T454 PolarHBondContact O-N 3.2Å; V452-G455 PolarHBondContact O-N 3.1Å; V452-G455 VanDerWaalsContact O-N 3.14Å; V452-I456 HydrophobicContact CG1-CD1 3.84Å; V452-I456 HydrophobicContact CG1-CG1 4.4Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 2.88Å |
| 453 | R | 87.5 | Confident | 87.5 | Confident | 35 Ų | 35 | 52 Ų | 52 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.6 | -45 | 176.3 | -64.2 | -166.2 | -42.3 | -166.9 | 13.5 | 112.2 | E236 L444 Q445 G446 M448 P449 A450 G455 I456 F457 | E236-R453 VanDerWaalsContact CD-NH2 3.29Å; E236-R453 WeakPolarHBondContact OE1-CB 3.36Å; E236-R453 IonicContact OE1-CZ 2.67Å; E236-R453 VanDerWaalsContact OE1-CZ 3.23Å; E236-R453 IonicContact OE1-NE 3.68Å; E236-R453 PolarHBondContact OE1-NE 3.38Å; E236-R453 IonicContact OE1-NH2 3.47Å; E236-R453 PolarHBondContact OE1-NH2 3.26Å; E236-R453 IonicContact OE2-CZ 3.5Å; E236-R453 IonicContact OE2-NE 3.81Å; E236-R453 IonicContact OE2-NH2 2.7Å; E236-R453 PolarHBondContact OE2-NH2 3.26Å; L444-R453 HydrophobicContact CD1-CB 3.69Å; L444-R453 HydrophobicContact CD1-CG 3.84Å; Q445-R453 VanDerWaalsContact O-CD 3.29Å; Q445-R453 WeakPolarHBondContact O-CD 3.46Å; G446-R453 PolarHBondContact O-NH1 3.06Å; M448-R453 HydrophobicContact CB-CG 3.66Å; P449-R453 PolarHBondContact O-N 2.9Å; P449-R453 VanDerWaalsContact O-N 3.1Å; A450-R453 PolarHBondContact O-N 3.4Å; R453-G455 VanDerWaalsContact C-N 3.35Å; R453-G455 PolarHBondContact O-N 2.98Å; R453-I456 PolarHBondContact O-N 3.15Å; R453-F457 VanDerWaalsContact O-CB 3.31Å; R453-F457 WeakPolarHBondContact O-CB 3.42Å; R453-F457 PolarHBondContact O-N 3.03Å |
| 454 | T | 82.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.9 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | A450 V451 V452 F457 H458 | A450-T454 PolarHBondContact O-N 3.47Å; A450-T454 PolarHBondContact O-OG1 2.83Å; V451-T454 PolarHBondContact O-N 2.94Å; V452-T454 VanDerWaalsContact C-N 3.31Å; V452-T454 PolarHBondContact O-N 3.2Å; T454-F457 PolarHBondContact O-N 3.04Å; T454-H458 WeakPolarHBondContact O-CB 3.11Å; T454-H458 PolarHBondContact O-N 2.83Å |
| 455 | G | 87.9 | Confident | 87.3 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 43% | 0.433 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V451 V452 R453 H458 S459 | V451-G455 PolarHBondContact O-N 2.98Å; V451-G455 VanDerWaalsContact O-N 3.15Å; V452-G455 PolarHBondContact O-N 3.1Å; V452-G455 VanDerWaalsContact O-N 3.14Å; R453-G455 VanDerWaalsContact C-N 3.35Å; R453-G455 PolarHBondContact O-N 2.98Å; G455-H458 PolarHBondContact O-N 3.25Å; G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 2.8Å |
| 456 | I | 91.3 | Very high | 87.5 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -47 | 176.2 | -71.7 | 172.9 | 0 | 0 | 0 | 110.6 | A442 R443 L444 M448 V452 R453 H458 S459 F460 L468 | A442-I456 HydrophobicContact CB-CG2 3.82Å; R443-I456 WeakPolarHBondContact O-CD1 3.29Å; L444-I456 HydrophobicContact CB-CG2 4.49Å; L444-I456 HydrophobicContact CD1-CB 4.33Å; L444-I456 HydrophobicContact CD1-CG2 4.13Å; M448-I456 HydrophobicContact CE-CD1 3.4Å; M448-I456 VanDerWaalsContact CE-CD1 3.4Å; M448-I456 HydrophobicContact SD-CD1 4.39Å; V452-I456 HydrophobicContact CG1-CD1 3.84Å; V452-I456 HydrophobicContact CG1-CG1 4.4Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 2.88Å; R453-I456 PolarHBondContact O-N 3.15Å; I456-H458 PolarHBondContact O-N 2.76Å; I456-S459 WeakPolarHBondContact O-CB 3.23Å; I456-S459 PolarHBondContact O-N 2.77Å; I456-F460 PolarHBondContact O-N 3.2Å; I456-L468 HydrophobicContact CG2-CD1 3.94Å |
| 457 | F | 86.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 179.4 | 178.4 | -114.1 | 0 | 0 | 0 | 111.8 | Q240 R453 T454 S459 F460 Q461 L478 D479 | Q240-F457 HydrophobicContact CG-CE1 4.47Å; R453-F457 VanDerWaalsContact O-CB 3.31Å; R453-F457 WeakPolarHBondContact O-CB 3.42Å; R453-F457 PolarHBondContact O-N 3.03Å; T454-F457 PolarHBondContact O-N 3.04Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 3.4Å; F457-F460 CarbonylContact O-C 3.53Å; F457-F460 WeakPolarHBondContact O-CA 3.44Å; F457-F460 WeakPolarHBondContact O-CB 3.38Å; F457-F460 PolarHBondContact O-N 3.27Å; F457-F460 VanDerWaalsContact O-N 3.11Å; F457-Q461 HydrophobicContact CD1-CG 4.25Å; F457-Q461 HydrophobicContact CD2-CG 4.31Å; F457-Q461 HydrophobicContact CE1-CG 3.64Å; F457-Q461 HydrophobicContact CE2-CG 3.71Å; F457-Q461 HydrophobicContact CZ-CG 3.33Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.34Å; F457-Q461 PolarHBondContact O-N 2.92Å; F457-L478 HydrophobicContact CD1-CD2 4.13Å; F457-L478 HydrophobicContact CD2-CB 4.36Å; F457-L478 HydrophobicContact CD2-CD1 3.62Å; F457-L478 HydrophobicContact CD2-CD2 3.85Å; F457-L478 HydrophobicContact CD2-CG 4.15Å; F457-L478 HydrophobicContact CE1-CD2 4.08Å; F457-L478 HydrophobicContact CE2-CB 3.68Å; F457-L478 HydrophobicContact CE2-CD1 3.79Å; F457-L478 HydrophobicContact CE2-CD2 3.82Å; F457-L478 HydrophobicContact CE2-CG 3.96Å; F457-L478 HydrophobicContact CG-CD1 4.39Å; F457-L478 HydrophobicContact CG-CD2 4.01Å; F457-L478 HydrophobicContact CZ-CB 4.02Å; F457-L478 HydrophobicContact CZ-CD2 3.94Å; F457-L478 HydrophobicContact CZ-CG 4.41Å; F457-D479 WeakPolarHBondContact CE2-O 3.4Å; F457-D479 HydrophobicContact CZ-CB 4.39Å; F457-D479 WeakPolarHBondContact CZ-O 3.35Å |
| 458 | H | 87.3 | Confident | 88.8 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 175.2 | -168.1 | 55.8 | 0 | 0 | 0 | 112.7 | T454 G455 I456 F460 Q461 K462 | T454-H458 WeakPolarHBondContact O-CB 3.11Å; T454-H458 PolarHBondContact O-N 2.83Å; G455-H458 PolarHBondContact O-N 3.25Å; I456-H458 PolarHBondContact O-N 2.76Å; H458-F460 VanDerWaalsContact C-N 3.3Å; H458-F460 PolarHBondContact O-N 3.32Å; H458-Q461 PolarHBondContact O-N 2.94Å; H458-K462 WeakPolarHBondContact CE1-CE 3.41Å; H458-K462 WeakPolarHBondContact NE2-CE 3.39Å; H458-K462 PolarHBondContact NE2-NZ 2.77Å; H458-K462 VanDerWaalsContact NE2-NZ 3.17Å; H458-K462 WeakPolarHBondContact O-CB 3.38Å; H458-K462 WeakPolarHBondContact O-CG 3.35Å; H458-K462 PolarHBondContact O-N 3.48Å |
| 459 | S | 91.8 | Very high | 89.2 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | G455 I456 F457 K462 G463 T464 | G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 2.8Å; I456-S459 WeakPolarHBondContact O-CB 3.23Å; I456-S459 PolarHBondContact O-N 2.77Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 3.4Å; S459-K462 PolarHBondContact O-N 3.02Å; S459-G463 PolarHBondContact O-N 3.18Å; S459-G463 VanDerWaalsContact O-N 3.07Å; S459-T464 PolarHBondContact O-N 3.02Å; S459-T464 VanDerWaalsContact O-N 3.14Å; S459-T464 VanDerWaalsContact OG-CB 3.32Å; S459-T464 WeakPolarHBondContact OG-CB 3.29Å |
| 460 | F | 91.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -30.9 | 174.9 | -177.9 | -102.2 | 0 | 0 | 0 | 113.8 | A416 I456 F457 H458 V465 L468 R482 V483 | A416-F460 HydrophobicContact CB-CE2 3.8Å; A416-F460 HydrophobicContact CB-CZ 3.72Å; I456-F460 PolarHBondContact O-N 3.2Å; F457-F460 CarbonylContact O-C 3.53Å; F457-F460 WeakPolarHBondContact O-CA 3.44Å; F457-F460 WeakPolarHBondContact O-CB 3.38Å; F457-F460 PolarHBondContact O-N 3.27Å; F457-F460 VanDerWaalsContact O-N 3.11Å; H458-F460 VanDerWaalsContact C-N 3.3Å; H458-F460 PolarHBondContact O-N 3.32Å; F460-V465 WeakPolarHBondContact CD2-O 3.16Å; F460-L468 HydrophobicContact CB-CD2 4.39Å; F460-L468 HydrophobicContact CD1-CB 4.46Å; F460-L468 HydrophobicContact CD1-CD2 3.88Å; F460-L468 HydrophobicContact CD2-CB 3.56Å; F460-L468 HydrophobicContact CD2-CD2 4.36Å; F460-L468 HydrophobicContact CD2-CG 4.47Å; F460-L468 HydrophobicContact CE1-CB 4.43Å; F460-L468 HydrophobicContact CE1-CD2 4.18Å; F460-L468 HydrophobicContact CE2-CB 3.5Å; F460-L468 VanDerWaalsContact CE2-CB 3.5Å; F460-L468 HydrophobicContact CG-CB 4.02Å; F460-L468 HydrophobicContact CG-CD2 3.95Å; F460-L468 HydrophobicContact CG-CG 4.48Å; F460-L468 HydrophobicContact CZ-CB 3.94Å; F460-R482 PolarHBondContact O-NH2 3.46Å; F460-V483 HydrophobicContact CE1-CG2 3.89Å; F460-V483 HydrophobicContact CZ-CG2 3.77Å |
| 461 | Q | 86.8 | Confident | 90.4 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -76.2 | -29.1 | 173.5 | -75.6 | -173.1 | -61.6 | 0 | 0 | 112.9 | F457 H458 D479 R482 | F457-Q461 HydrophobicContact CD1-CG 4.25Å; F457-Q461 HydrophobicContact CD2-CG 4.31Å; F457-Q461 HydrophobicContact CE1-CG 3.64Å; F457-Q461 HydrophobicContact CE2-CG 3.71Å; F457-Q461 HydrophobicContact CZ-CG 3.33Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.34Å; F457-Q461 PolarHBondContact O-N 2.92Å; H458-Q461 PolarHBondContact O-N 2.94Å; Q461-D479 PolarHBondContact NE2-OD2 3.27Å; Q461-R482 VanDerWaalsContact C-NH2 3.26Å; Q461-R482 PolarHBondContact O-NE 3.31Å; Q461-R482 VanDerWaalsContact O-NE 3.13Å; Q461-R482 PolarHBondContact O-NH1 2.79Å; Q461-R482 PolarHBondContact O-NH2 2.93Å; Q461-R482 VanDerWaalsContact O-NH2 3.14Å |
| 462 | K | 88.8 | Confident | 90.7 | Very high | 135 Ų | 135 | 38 Ų | 38 | 59% | 0.587 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -82.6 | -25.3 | 177.8 | -77.7 | -177.8 | 162.7 | -178.5 | 0 | 113.5 | H458 S459 R482 | H458-K462 WeakPolarHBondContact CE1-CE 3.41Å; H458-K462 WeakPolarHBondContact NE2-CE 3.39Å; H458-K462 PolarHBondContact NE2-NZ 2.77Å; H458-K462 VanDerWaalsContact NE2-NZ 3.17Å; H458-K462 WeakPolarHBondContact O-CB 3.38Å; H458-K462 WeakPolarHBondContact O-CG 3.35Å; H458-K462 PolarHBondContact O-N 3.48Å; S459-K462 PolarHBondContact O-N 3.02Å; K462-R482 PolarHBondContact O-NH1 2.92Å |
| 463 | G | 89.6 | Confident | 90.1 | Very high | 27 Ų | 27 | 40 Ų | 40 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 11.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S459 V465 | S459-G463 PolarHBondContact O-N 3.18Å; S459-G463 VanDerWaalsContact O-N 3.07Å; G463-V465 PolarHBondContact O-N 3.1Å |
| 464 | T | 91.8 | Very high | 89.5 | Confident | 80 Ų | 80 | 38.5 Ų | 38.5 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -60.3 | -34.5 | 167.7 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | K440 S459 | K440-T464 VanDerWaalsContact CE-O 3.28Å; K440-T464 WeakPolarHBondContact CE-O 3.5Å; K440-T464 PolarHBondContact NZ-O 3.32Å; S459-T464 PolarHBondContact O-N 3.02Å; S459-T464 VanDerWaalsContact O-N 3.14Å; S459-T464 VanDerWaalsContact OG-CB 3.32Å; S459-T464 WeakPolarHBondContact OG-CB 3.29Å |
| 465 | V | 92.2 | Very high | 89.1 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 9% | 0.085 | 20% | 0.204 | C | C | . | . | trans | -130.7 | 132.4 | 173.7 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | A442 F460 G463 V467 | A442-V465 HydrophobicContact CB-CG1 3.96Å; F460-V465 WeakPolarHBondContact CD2-O 3.16Å; G463-V465 PolarHBondContact O-N 3.1Å; V465-V467 VanDerWaalsContact CG1-O 3.3Å; V465-V467 WeakPolarHBondContact CG1-O 3.32Å | ||
| 466 | N | 93.4 | Very high | 88.7 | Confident | 78 Ų | 78 | 36.1 Ų | 36.1 | 42% | 0.417 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -101.8 | -13.7 | -177.7 | -67.5 | -26.9 | 0 | 0 | 0 | 113.5 | A416 A417 | A416-N466 CarbonylContact C-O 3.45Å; A416-N466 WeakPolarHBondContact CA-O 3.32Å; A416-N466 WeakPolarHBondContact CB-O 3.3Å; A417-N466 PolarHBondContact N-O 2.95Å |
| 467 | V | 95.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.8 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | L405 A417 V419 V439 H441 A442 V465 | L405-V467 HydrophobicContact CD1-CG1 4.1Å; L405-V467 HydrophobicContact CD1-CG2 4.47Å; L405-V467 HydrophobicContact CD2-CG1 4.19Å; L405-V467 HydrophobicContact CD2-CG2 4.07Å; A417-V467 HydrophobicContact CB-CG2 4.41Å; A417-V467 WeakPolarHBondContact O-CA 3.4Å; V419-V467 HydrophobicContact CG2-CG1 4.21Å; V439-V467 HydrophobicContact CG1-CG2 4.38Å; H441-V467 CarbonylContact C-O 3.51Å; H441-V467 VanDerWaalsContact CA-O 3.24Å; H441-V467 WeakPolarHBondContact CA-O 3.45Å; H441-V467 HydrophobicContact CB-CB 3.83Å; H441-V467 HydrophobicContact CB-CG1 3.93Å; A442-V467 PolarHBondContact N-O 3.04Å; V465-V467 VanDerWaalsContact CG1-O 3.3Å; V465-V467 WeakPolarHBondContact CG1-O 3.32Å |
| 468 | L | 96.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.2 | 175.6 | -176.6 | 64.6 | 0 | 0 | 0 | 109.8 | A417 L418 V419 A442 L444 I456 F460 | A417-L468 PolarHBondContact O-N 3.27Å; L418-L468 HydrophobicContact CD1-CB 3.79Å; L418-L468 HydrophobicContact CD1-CD2 3.66Å; L418-L468 HydrophobicContact CD1-CG 3.86Å; V419-L468 PolarHBondContact N-O 3.25Å; A442-L468 HydrophobicContact CB-CD1 3.93Å; L444-L468 HydrophobicContact CB-CD1 3.91Å; L444-L468 HydrophobicContact CB-CG 4.5Å; L444-L468 HydrophobicContact CD2-CD2 4.29Å; I456-L468 HydrophobicContact CG2-CD1 3.94Å; F460-L468 HydrophobicContact CB-CD2 4.39Å; F460-L468 HydrophobicContact CD1-CB 4.46Å; F460-L468 HydrophobicContact CD1-CD2 3.88Å; F460-L468 HydrophobicContact CD2-CB 3.56Å; F460-L468 HydrophobicContact CD2-CD2 4.36Å; F460-L468 HydrophobicContact CD2-CG 4.47Å; F460-L468 HydrophobicContact CE1-CB 4.43Å; F460-L468 HydrophobicContact CE1-CD2 4.18Å; F460-L468 HydrophobicContact CE2-CB 3.5Å; F460-L468 VanDerWaalsContact CE2-CB 3.5Å; F460-L468 HydrophobicContact CG-CB 4.02Å; F460-L468 HydrophobicContact CG-CD2 3.95Å; F460-L468 HydrophobicContact CG-CG 4.48Å; F460-L468 HydrophobicContact CZ-CB 3.94Å |
| 469 | I | 97.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.5 | 175.9 | -44.9 | 171.2 | 0 | 0 | 0 | 108 | V419 V427 L430 L434 H441 A442 R443 L444 | V419-I469 HydrophobicContact CB-CG1 4.41Å; V419-I469 HydrophobicContact CB-CG2 4.4Å; V419-I469 HydrophobicContact CG1-CG2 4.46Å; V419-I469 CarbonylContact O-C 3.55Å; V419-I469 WeakPolarHBondContact O-CA 3.28Å; V427-I469 HydrophobicContact CB-CG2 4.28Å; V427-I469 HydrophobicContact CG1-CB 4.12Å; V427-I469 HydrophobicContact CG1-CG2 3.82Å; V427-I469 HydrophobicContact CG2-CG2 4.3Å; L430-I469 HydrophobicContact CD2-CD1 4.43Å; L430-I469 HydrophobicContact CD2-CG2 3.92Å; L430-I469 HydrophobicContact CG-CD1 4.19Å; L434-I469 HydrophobicContact CD1-CD1 3.8Å; H441-I469 HydrophobicContact CB-CD1 4.41Å; H441-I469 VanDerWaalsContact CD2-CD1 3.46Å; H441-I469 WeakPolarHBondContact CD2-CD1 3.39Å; A442-I469 PolarHBondContact O-N 3.38Å; R443-I469 CarbonylContact C-O 3.52Å; R443-I469 WeakPolarHBondContact CA-O 3.34Å; L444-I469 PolarHBondContact N-O 2.91Å |
| 470 | C | 96 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 161.6 | -172 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | L418 V419 F420 C421 L444 S475 | L418-C470 VanDerWaalsContact CD1-SG 3.55Å; V419-C470 PolarHBondContact O-N 3.09Å; F420-C470 WeakPolarHBondContact CA-O 3.42Å; C421-C470 PolarHBondContact N-O 3.33Å; L444-C470 HydrophobicContact CB-CB 4.06Å; L444-C470 WeakPolarHBondContact O-CA 3.16Å; L444-C470 WeakPolarHBondContact O-CB 3.3Å; C470-S475 VanDerWaalsContact SG-CB 3.59Å |
| 471 | T | 93.6 | Very high | 86.8 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | trans | -89.1 | 164.1 | 163 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | C421 V427 L444 I473 A474 S475 | C421-T471 WeakPolarHBondContact O-CA 3.48Å; V427-T471 HydrophobicContact CG2-CG2 3.83Å; L444-T471 PolarHBondContact O-N 2.87Å; T471-I473 PolarHBondContact O-N 3.26Å; T471-A474 PolarHBondContact O-N 3.2Å; T471-S475 PolarHBondContact O-N 3.46Å; T471-S475 PolarHBondContact O-OG 3.25Å | ||
| 472 | D | 86.7 | Confident | 86.9 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -50.9 | 177.6 | -66.6 | -62.1 | 0 | 0 | 0 | 111.6 | A474 S475 R476 R501 | D472-A474 PolarHBondContact O-N 3.07Å; D472-A474 VanDerWaalsContact O-N 3.11Å; D472-S475 PolarHBondContact O-N 3.06Å; D472-S475 PolarHBondContact O-OG 2.78Å; D472-R476 WeakPolarHBondContact O-CG 3.37Å; D472-R476 PolarHBondContact O-N 2.76Å; D472-R501 WeakPolarHBondContact OD1-CG 3.46Å; D472-R501 IonicContact OD1-CZ 3.89Å; D472-R501 IonicContact OD1-NE 3.95Å; D472-R501 PolarHBondContact OD1-NE 2.71Å; D472-R501 IonicContact OD1-NH2 3.29Å; D472-R501 IonicContact OD2-CZ 2.83Å; D472-R501 IonicContact OD2-NE 2.77Å; D472-R501 PolarHBondContact OD2-NE 3.35Å; D472-R501 IonicContact OD2-NH2 2.87Å; D472-R501 PolarHBondContact OD2-NH2 3.44Å |
| 473 | I | 76.8 | Confident | 87.1 | Confident | 109 Ų | 109 | 28.2 Ų | 28.2 | 56% | 0.559 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -58.6 | -33.4 | -175.5 | -143.7 | 161 | 0 | 0 | 0 | 112.4 | T471 S475 | T471-I473 PolarHBondContact O-N 3.26Å; I473-S475 VanDerWaalsContact C-N 3.34Å |
| 474 | A | 75.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -81.7 | -18.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L444 T471 D472 | L444-A474 HydrophobicContact CD2-CB 4.33Å; L444-A474 VanDerWaalsContact CD2-O 3.23Å; L444-A474 WeakPolarHBondContact CD2-O 3.21Å; L444-A474 HydrophobicContact CG-CB 3.98Å; L444-A474 WeakPolarHBondContact O-CB 3.3Å; T471-A474 PolarHBondContact O-N 3.2Å; D472-A474 PolarHBondContact O-N 3.07Å; D472-A474 VanDerWaalsContact O-N 3.11Å |
| 475 | S | 73 | Confident | 87.4 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -113.4 | -4.9 | -175.1 | 58.9 | 0 | 0 | 0 | 0 | 115 | F420 C470 T471 D472 I473 L478 R504 | F420-S475 WeakPolarHBondContact CE1-OG 3.24Å; C470-S475 VanDerWaalsContact SG-CB 3.59Å; T471-S475 PolarHBondContact O-N 3.46Å; T471-S475 PolarHBondContact O-OG 3.25Å; D472-S475 PolarHBondContact O-N 3.06Å; D472-S475 PolarHBondContact O-OG 2.78Å; I473-S475 VanDerWaalsContact C-N 3.34Å; S475-L478 WeakPolarHBondContact O-CB 3.08Å; S475-L478 WeakPolarHBondContact O-CG 3.42Å; S475-L478 PolarHBondContact O-N 3.1Å; S475-R504 PolarHBondContact O-NH1 2.99Å; S475-R504 PolarHBondContact O-NH2 3.47Å |
| 476 | R | 79.2 | Confident | 87.7 | Confident | 38 Ų | 38 | 23.9 Ų | 23.9 | 14% | 0.143 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 142.6 | 171.7 | -64 | -152 | 179.8 | 146.9 | -0 | 111.3 | T311 D314 D472 L478 D497 | T311-R476 VanDerWaalsContact CG2-NH1 3.33Å; T311-R476 WeakPolarHBondContact OG1-CD 3.4Å; T311-R476 PolarHBondContact OG1-NH1 3.21Å; D314-R476 IonicContact OD2-NH1 2.84Å; D472-R476 WeakPolarHBondContact O-CG 3.37Å; D472-R476 PolarHBondContact O-N 2.76Å; R476-L478 PolarHBondContact O-N 3.35Å; R476-L478 VanDerWaalsContact O-N 3.08Å; R476-D497 IonicContact NH2-OD1 3.67Å; R476-D497 PolarHBondContact NH2-OD1 3.02Å |
| 477 | G | 71.4 | Confident | 87.9 | Confident | 8 Ų | 8 | 20.1 Ų | 20.1 | 8% | 0.082 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | -18.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q240 E308 D479 | Q240-G477 PolarHBondContact OE1-O 3.4Å; E308-G477 VanDerWaalsContact OE1-CA 3.25Å; E308-G477 WeakPolarHBondContact OE1-CA 3.46Å; E308-G477 PolarHBondContact OE1-N 3.27Å; G477-D479 PolarHBondContact O-N 2.92Å |
| 478 | L | 81.5 | Confident | 88 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -64.1 | 131 | -171.3 | -61.2 | -173.6 | 0 | 0 | 0 | 114.4 | E236 L444 F457 S475 R476 T480 R504 | E236-L478 HydrophobicContact CB-CD2 3.44Å; E236-L478 VanDerWaalsContact CB-CD2 3.44Å; E236-L478 HydrophobicContact CG-CD2 4.15Å; L444-L478 HydrophobicContact CD2-CD1 3.72Å; F457-L478 HydrophobicContact CD1-CD2 4.13Å; F457-L478 HydrophobicContact CD2-CB 4.36Å; F457-L478 HydrophobicContact CD2-CD1 3.62Å; F457-L478 HydrophobicContact CD2-CD2 3.85Å; F457-L478 HydrophobicContact CD2-CG 4.15Å; F457-L478 HydrophobicContact CE1-CD2 4.08Å; F457-L478 HydrophobicContact CE2-CB 3.68Å; F457-L478 HydrophobicContact CE2-CD1 3.79Å; F457-L478 HydrophobicContact CE2-CD2 3.82Å; F457-L478 HydrophobicContact CE2-CG 3.96Å; F457-L478 HydrophobicContact CG-CD1 4.39Å; F457-L478 HydrophobicContact CG-CD2 4.01Å; F457-L478 HydrophobicContact CZ-CB 4.02Å; F457-L478 HydrophobicContact CZ-CD2 3.94Å; F457-L478 HydrophobicContact CZ-CG 4.41Å; S475-L478 WeakPolarHBondContact O-CB 3.08Å; S475-L478 WeakPolarHBondContact O-CG 3.42Å; S475-L478 PolarHBondContact O-N 3.1Å; R476-L478 PolarHBondContact O-N 3.35Å; R476-L478 VanDerWaalsContact O-N 3.08Å; L478-T480 HydrophobicContact CB-CG2 4.45Å; L478-T480 PolarHBondContact O-N 3.07Å; L478-T480 PolarHBondContact O-OG1 3.19Å; L478-R504 VanDerWaalsContact N-NH1 3.14Å; L478-R504 PolarHBondContact O-NH1 2.94Å | ||
| 479 | D | 82.9 | Confident | 88.1 | Confident | 60 Ų | 60 | 20.3 Ų | 20.3 | 32% | 0.321 | 10% | 0.101 | S | C | . | . | trans | -61.1 | 120.2 | 163.8 | 177.7 | 22 | 0 | 0 | 0 | 110.6 | F457 Q461 G477 S481 | F457-D479 WeakPolarHBondContact CE2-O 3.4Å; F457-D479 HydrophobicContact CZ-CB 4.39Å; F457-D479 WeakPolarHBondContact CZ-O 3.35Å; Q461-D479 PolarHBondContact NE2-OD2 3.27Å; G477-D479 PolarHBondContact O-N 2.92Å; D479-S481 WeakPolarHBondContact OD1-CB 3.2Å; D479-S481 PolarHBondContact OD1-N 2.92Å; D479-S481 PolarHBondContact OD1-OG 3.25Å; D479-S481 VanDerWaalsContact OD1-OG 3.07Å | ||
| 480 | T | 87.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | trans | -131 | 24.2 | -171.1 | 36.1 | 0 | 0 | 0 | 0 | 110.6 | L418 L478 R482 V483 R504 | L418-T480 HydrophobicContact CD2-CG2 3.99Å; L478-T480 HydrophobicContact CB-CG2 4.45Å; L478-T480 PolarHBondContact O-N 3.07Å; L478-T480 PolarHBondContact O-OG1 3.19Å; T480-R482 PolarHBondContact O-N 2.82Å; T480-V483 HydrophobicContact CG2-CG2 3.82Å; T480-V483 VanDerWaalsContact O-CB 3.31Å; T480-V483 WeakPolarHBondContact O-CB 3.38Å; T480-V483 WeakPolarHBondContact O-CG2 3.39Å; T480-V483 PolarHBondContact O-N 2.92Å; T480-R504 VanDerWaalsContact CB-O 3.32Å; T480-R504 WeakPolarHBondContact CB-O 3.24Å; T480-R504 HydrophobicContact CG2-CB 4.22Å; T480-R504 HydrophobicContact CG2-CG 4.48Å; T480-R504 WeakPolarHBondContact OG1-CD 3.43Å; T480-R504 PolarHBondContact OG1-O 3.24Å | ||
| 481 | S | 86.3 | Confident | 88.2 | Confident | 39 Ų | 39 | 21.9 Ų | 21.9 | 27% | 0.273 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | -36.3 | 179 | 45.1 | 0 | 0 | 0 | 0 | 114.8 | D479 G510 V511 | D479-S481 WeakPolarHBondContact OD1-CB 3.2Å; D479-S481 PolarHBondContact OD1-N 2.92Å; D479-S481 PolarHBondContact OD1-OG 3.25Å; D479-S481 VanDerWaalsContact OD1-OG 3.07Å; S481-G510 WeakPolarHBondContact O-CA 3.44Å; S481-V511 PolarHBondContact O-N 3Å |
| 482 | R | 89.1 | Confident | 88.2 | Confident | 86 Ų | 86 | 21.5 Ų | 21.5 | 33% | 0.325 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2.2 | -178.6 | -54.1 | -171 | -50.8 | 165.2 | 18.4 | 114.9 | A416 F460 Q461 K462 T480 R484 | A416-R482 WeakPolarHBondContact CB-O 3.4Å; A416-R482 PolarHBondContact N-O 3.14Å; F460-R482 PolarHBondContact O-NH2 3.46Å; Q461-R482 VanDerWaalsContact C-NH2 3.26Å; Q461-R482 PolarHBondContact O-NE 3.31Å; Q461-R482 VanDerWaalsContact O-NE 3.13Å; Q461-R482 PolarHBondContact O-NH1 2.79Å; Q461-R482 PolarHBondContact O-NH2 2.93Å; Q461-R482 VanDerWaalsContact O-NH2 3.14Å; K462-R482 PolarHBondContact O-NH1 2.92Å; T480-R482 PolarHBondContact O-N 2.82Å; R482-R484 PolarHBondContact O-N 3.4Å |
| 483 | V | 92.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.8 | 179.2 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | A416 L418 F460 T480 L485 V486 V505 | A416-V483 HydrophobicContact CB-CG2 4.46Å; A416-V483 WeakPolarHBondContact O-CA 3.17Å; L418-V483 HydrophobicContact CB-CG1 3.91Å; L418-V483 HydrophobicContact CB-CG2 4.37Å; F460-V483 HydrophobicContact CE1-CG2 3.89Å; F460-V483 HydrophobicContact CZ-CG2 3.77Å; T480-V483 HydrophobicContact CG2-CG2 3.82Å; T480-V483 VanDerWaalsContact O-CB 3.31Å; T480-V483 WeakPolarHBondContact O-CB 3.38Å; T480-V483 WeakPolarHBondContact O-CG2 3.39Å; T480-V483 PolarHBondContact O-N 2.92Å; V483-L485 VanDerWaalsContact CG1-O 3.31Å; V483-L485 WeakPolarHBondContact CG1-O 3.16Å; V483-V486 HydrophobicContact CG1-CG2 4.02Å; V483-V505 HydrophobicContact CB-CG1 4.16Å; V483-V505 HydrophobicContact CG1-CG1 3.63Å; V483-V505 WeakPolarHBondContact O-CG1 3.43Å |
| 484 | R | 93.1 | Very high | 89.2 | Confident | 30 Ų | 30 | 24.1 Ų | 24.1 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -26.2 | 175.5 | 179 | 178.1 | 160.8 | 124.1 | 4.6 | 111.4 | L408 E411 G414 A416 R482 V511 D513 G514 E515 | L408-R484 HydrophobicContact CD1-CB 4.22Å; L408-R484 HydrophobicContact CD1-CG 3.98Å; E411-R484 IonicContact OE2-CZ 3.49Å; E411-R484 IonicContact OE2-NE 3.55Å; E411-R484 IonicContact OE2-NH2 2.73Å; E411-R484 PolarHBondContact OE2-NH2 2.86Å; G414-R484 VanDerWaalsContact O-CD 3.29Å; G414-R484 WeakPolarHBondContact O-CD 3.49Å; A416-R484 PolarHBondContact O-N 3.11Å; R482-R484 PolarHBondContact O-N 3.4Å; R484-V511 HydrophobicContact CB-CG1 4.36Å; R484-V511 HydrophobicContact CG-CG1 4.35Å; R484-D513 VanDerWaalsContact CZ-CG 3.44Å; R484-D513 IonicContact CZ-OD1 3.41Å; R484-D513 IonicContact CZ-OD2 2.94Å; R484-D513 IonicContact NE-OD1 3.69Å; R484-D513 IonicContact NE-OD2 3.86Å; R484-D513 IonicContact NH1-OD1 3Å; R484-D513 PolarHBondContact NH1-OD1 3.37Å; R484-D513 IonicContact NH1-OD2 2.63Å; R484-D513 PolarHBondContact NH1-OD2 2.94Å; R484-D513 IonicContact NH2-OD2 3Å; R484-D513 PolarHBondContact NH2-OD2 2.95Å; R484-G514 CarbonylContact O-C 3.53Å; R484-G514 VanDerWaalsContact O-CA 3.31Å; R484-G514 WeakPolarHBondContact O-CA 3.28Å; R484-E515 PolarHBondContact O-N 2.9Å |
| 485 | L | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.1 | 178.6 | 176.7 | 63.5 | 0 | 0 | 0 | 110.6 | L408 A416 A417 L418 V483 V487 E515 L517 | L408-L485 HydrophobicContact CD1-CB 4.33Å; L408-L485 HydrophobicContact CD2-CB 3.89Å; L408-L485 HydrophobicContact CD2-CD2 4.21Å; A416-L485 PolarHBondContact O-N 2.83Å; A417-L485 CarbonylContact C-O 3.58Å; A417-L485 VanDerWaalsContact CA-O 3.23Å; A417-L485 WeakPolarHBondContact CA-O 3.39Å; A417-L485 HydrophobicContact CB-CB 4.3Å; A417-L485 HydrophobicContact CB-CD2 4.39Å; L418-L485 PolarHBondContact N-O 3.48Å; V483-L485 VanDerWaalsContact CG1-O 3.31Å; V483-L485 WeakPolarHBondContact CG1-O 3.16Å; L485-V487 HydrophobicContact CD1-CG2 4.04Å; L485-V487 HydrophobicContact CD2-CG2 3.73Å; L485-V487 HydrophobicContact CG-CG2 3.66Å; L485-E515 WeakPolarHBondContact CA-O 3.41Å; L485-E515 HydrophobicContact CD1-CG 3.73Å; L485-L517 HydrophobicContact CD1-CB 4.21Å |
| 486 | V | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.9 | 163.2 | 166.7 | 0 | 0 | 0 | 0 | 108.2 | L418 F420 V483 R501 R504 V505 E515 V516 L517 | L418-V486 HydrophobicContact CB-CG2 4.36Å; L418-V486 CarbonylContact O-C 3.59Å; L418-V486 WeakPolarHBondContact O-CA 3.28Å; F420-V486 HydrophobicContact CD2-CG1 3.93Å; F420-V486 HydrophobicContact CE2-CG1 3.95Å; V483-V486 HydrophobicContact CG1-CG2 4.02Å; V486-R501 HydrophobicContact CG1-CB 4.46Å; V486-R504 HydrophobicContact CG2-CB 3.81Å; V486-V505 HydrophobicContact CB-CG1 4.33Å; V486-V505 HydrophobicContact CG2-CB 4.4Å; V486-V505 HydrophobicContact CG2-CG1 3.57Å; V486-V505 HydrophobicContact CG2-CG2 4.2Å; V486-E515 PolarHBondContact N-O 3.28Å; V486-V516 HydrophobicContact CB-CG2 4.28Å; V486-V516 HydrophobicContact CG1-CG1 4.29Å; V486-V516 CarbonylContact O-C 3.53Å; V486-V516 WeakPolarHBondContact O-CA 3.19Å; V486-L517 PolarHBondContact O-N 3.39Å |
| 487 | V | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.2 | 173.3 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | L401 L418 V419 F420 L485 Y489 L517 F519 | L401-V487 HydrophobicContact CD1-CB 4.08Å; L401-V487 HydrophobicContact CD1-CG1 3.83Å; L401-V487 HydrophobicContact CD1-CG2 3.92Å; L418-V487 PolarHBondContact O-N 2.81Å; V419-V487 CarbonylContact C-O 3.52Å; V419-V487 WeakPolarHBondContact CA-O 3.1Å; V419-V487 HydrophobicContact CG1-CB 4.34Å; V419-V487 HydrophobicContact CG2-CB 4.3Å; V419-V487 HydrophobicContact CG2-CG2 4.46Å; F420-V487 PolarHBondContact N-O 3.26Å; L485-V487 HydrophobicContact CD1-CG2 4.04Å; L485-V487 HydrophobicContact CD2-CG2 3.73Å; L485-V487 HydrophobicContact CG-CG2 3.66Å; V487-Y489 VanDerWaalsContact C-N 3.27Å; V487-Y489 PolarHBondContact O-N 3.49Å; V487-L517 CarbonylContact C-O 3.57Å; V487-L517 WeakPolarHBondContact CA-O 3.48Å; V487-L517 HydrophobicContact CG1-CB 4.44Å; V487-L517 HydrophobicContact CG1-CD2 4.14Å; V487-L517 HydrophobicContact CG1-CG 4.38Å; V487-L517 HydrophobicContact CG2-CB 4.45Å; V487-L517 HydrophobicContact CG2-CD2 4.45Å; V487-F519 HydrophobicContact CG1-CE2 4.26Å; V487-F519 HydrophobicContact CG1-CZ 4.41Å |
| 488 | N | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 85.4 | 163.2 | -61 | -43.6 | 0 | 0 | 0 | 107.4 | R501 L517 S518 F519 | N488-R501 WeakPolarHBondContact OD1-CB 3.44Å; N488-R501 WeakPolarHBondContact OD1-CD 3.35Å; N488-L517 PolarHBondContact N-O 2.95Å; N488-S518 PolarHBondContact ND2-OG 3.02Å; N488-F519 PolarHBondContact O-N 2.87Å |
| 489 | Y | 98.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 27 Ų | 27 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -61.8 | -54.5 | 176 | -178.7 | -91.8 | 0 | 0 | 0 | 108.2 | K397 V398 L401 F420 T426 L430 V487 F519 | K397-Y489 HydrophobicContact CB-CD2 4.33Å; K397-Y489 HydrophobicContact CB-CE2 3.5Å; K397-Y489 VanDerWaalsContact CB-CE2 3.5Å; K397-Y489 WeakPolarHBondContact CB-OH 3.5Å; K397-Y489 HydrophobicContact CD-CE1 4.29Å; K397-Y489 VanDerWaalsContact CE-CE1 3.48Å; K397-Y489 WeakPolarHBondContact CE-O 3.48Å; K397-Y489 PolarHBondContact NZ-O 2.69Å; V398-Y489 WeakPolarHBondContact CG2-OH 3.4Å; L401-Y489 HydrophobicContact CB-CD2 4.48Å; L401-Y489 HydrophobicContact CD2-CD2 4.08Å; L401-Y489 HydrophobicContact CD2-CE2 4.43Å; F420-Y489 WeakPolarHBondContact O-CB 3.37Å; F420-Y489 PolarHBondContact O-N 2.76Å; T426-Y489 HydrophobicContact CG2-CD1 3.95Å; T426-Y489 HydrophobicContact CG2-CE1 3.79Å; L430-Y489 HydrophobicContact CD1-CD2 4.3Å; L430-Y489 HydrophobicContact CD1-CE2 3.78Å; L430-Y489 HydrophobicContact CD2-CD1 4.3Å; L430-Y489 HydrophobicContact CD2-CD2 3.91Å; L430-Y489 HydrophobicContact CD2-CE2 4.19Å; L430-Y489 HydrophobicContact CD2-CG 3.96Å; V487-Y489 VanDerWaalsContact C-N 3.27Å; V487-Y489 PolarHBondContact O-N 3.49Å; Y489-F519 HydrophobicContact CD2-CD2 4.01Å; Y489-F519 AromaticContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CE2-CE2 4.47Å |
| 490 | D | 97.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 24.5 Ų | 24.5 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -90 | 133.6 | 163.7 | -63.2 | -28.6 | 0 | 0 | 0 | 109.2 | K397 F420 N422 T426 R501 | K397-D490 IonicContact NZ-OD1 3.64Å; K397-D490 PolarHBondContact NZ-OD1 2.66Å; F420-D490 PolarHBondContact O-N 2.86Å; F420-D490 VanDerWaalsContact O-N 3.16Å; N422-D490 HydrophobicContact CB-CB 4.25Å; N422-D490 PolarHBondContact N-OD2 3.47Å; N422-D490 VanDerWaalsContact N-OD2 3.08Å; N422-D490 WeakPolarHBondContact OD1-CB 3.38Å; T426-D490 WeakPolarHBondContact CG2-OD2 3.25Å; D490-R501 PolarHBondContact O-NH1 3.28Å |
| 491 | F | 97.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -64 | 140.8 | 178.7 | -157.3 | -109.9 | 0 | 0 | 0 | 109.9 | F389 N422 V520 D525 L528 V529 I532 | F389-F491 AromaticContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CZ 4.21Å; F389-F491 AromaticContact CE1-CE2 3.83Å; F389-F491 HydrophobicContact CE1-CE2 3.83Å; F389-F491 AromaticContact CE1-CZ 3.97Å; F389-F491 HydrophobicContact CE1-CZ 3.97Å; N422-F491 PolarHBondContact ND2-O 3.41Å; N422-F491 VanDerWaalsContact ND2-O 3.14Å; N422-F491 PolarHBondContact OD1-O 2.99Å; F491-V520 HydrophobicContact CD2-CG2 3.93Å; F491-V520 HydrophobicContact CE2-CG2 3.89Å; F491-D525 HydrophobicContact CB-CB 4.22Å; F491-D525 HydrophobicContact CD1-CB 3.72Å; F491-D525 HydrophobicContact CE1-CB 4.41Å; F491-D525 HydrophobicContact CG-CB 4.12Å; F491-L528 HydrophobicContact CD1-CD2 4.11Å; F491-L528 HydrophobicContact CE1-CB 3.94Å; F491-L528 HydrophobicContact CE1-CD2 3.61Å; F491-L528 HydrophobicContact CE1-CG 3.83Å; F491-V529 HydrophobicContact CE1-CG2 3.64Å; F491-V529 HydrophobicContact CE2-CG2 3.87Å; F491-V529 HydrophobicContact CZ-CB 4.44Å; F491-V529 HydrophobicContact CZ-CG2 3.28Å; F491-I532 HydrophobicContact CZ-CD1 4.26Å |
| 492 | P | 95.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 150.3 | -179.4 | -22.4 | 35.7 | 0 | 0 | 0 | 111.9 | D497 Y498 L528 | P492-D497 HydrophobicContact CB-CB 3.99Å; P492-Y498 HydrophobicContact CG-CD2 4.03Å; P492-L528 WeakPolarHBondContact O-CD2 3.47Å |
| 493 | E | 92.2 | Very high | 93.5 | Very high | 149 Ų | 149 | 18.6 Ų | 18.6 | 70% | 0.696 | 10% | 0.095 | S | C | * | . | S | Bend | trans | -83.7 | -18 | -178.5 | -59 | -176.3 | 167.1 | 0 | 0 | 112.2 | N422 | N422-E493 WeakPolarHBondContact ND2-CG 3.34Å; N422-E493 PolarHBondContact ND2-OE1 3.37Å |
| 494 | S | 91.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 27% | 0.266 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -141.9 | 161.7 | -178.3 | 76.4 | 0 | 0 | 0 | 0 | 113 | T496 D497 Y498 | S494-T496 VanDerWaalsContact C-N 3.26Å; S494-T496 PolarHBondContact O-N 3.3Å; S494-T496 PolarHBondContact OG-N 3.17Å; S494-D497 PolarHBondContact O-N 3Å; S494-D497 VanDerWaalsContact OG-CG 3.22Å; S494-D497 PolarHBondContact OG-N 3.07Å; S494-D497 PolarHBondContact OG-OD2 3.5Å; S494-Y498 PolarHBondContact O-N 3.02Å; S494-Y498 VanDerWaalsContact O-N 3.07Å |
| 495 | H | 91.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 17.5 Ų | 17.5 | 14% | 0.144 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 171.2 | -63.2 | 103.9 | 0 | 0 | 0 | 112 | Y498 I499 L528 N531 L542 M545 | H495-Y498 PolarHBondContact O-N 3.35Å; H495-I499 PolarHBondContact O-N 3.18Å; H495-L528 HydrophobicContact CB-CD1 4.33Å; H495-L528 WeakPolarHBondContact CD2-CD1 3.45Å; H495-L528 VanDerWaalsContact CG-CD1 3.48Å; H495-L528 VanDerWaalsContact NE2-CD1 3.3Å; H495-L528 WeakPolarHBondContact NE2-CD1 3.23Å; H495-N531 WeakPolarHBondContact NE2-CB 3.38Å; H495-L542 HydrophobicContact CB-CB 4.31Å; H495-L542 HydrophobicContact CB-CD1 3.83Å; H495-M545 HydrophobicContact CB-CG 4.37Å; H495-M545 HydrophobicContact CB-SD 4.14Å |
| 496 | T | 87.1 | Confident | 92.7 | Very high | 44 Ų | 44 | 17.9 Ų | 17.9 | 27% | 0.27 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -61.7 | -50.6 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | T352 S494 Y498 I499 H500 M545 | T352-T496 HydrophobicContact CG2-CG2 4.09Å; S494-T496 VanDerWaalsContact C-N 3.26Å; S494-T496 PolarHBondContact O-N 3.3Å; S494-T496 PolarHBondContact OG-N 3.17Å; T496-Y498 VanDerWaalsContact C-N 3.33Å; T496-Y498 PolarHBondContact O-N 2.93Å; T496-I499 PolarHBondContact O-N 3.3Å; T496-H500 WeakPolarHBondContact CG2-CE1 3.22Å; T496-H500 PolarHBondContact O-CD2 3.02Å; T496-H500 VanDerWaalsContact O-CG 3.23Å; T496-H500 PolarHBondContact O-N 2.89Å; T496-M545 VanDerWaalsContact OG1-CE 3.3Å; T496-M545 WeakPolarHBondContact OG1-CE 3.47Å |
| 497 | D | 90.6 | Very high | 92 | Very high | 22 Ų | 22 | 20.9 Ų | 20.9 | 12% | 0.118 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 178.2 | -63.5 | -47.6 | 0 | 0 | 0 | 111.2 | R476 P492 S494 I499 H500 R501 | R476-D497 IonicContact NH2-OD1 3.67Å; R476-D497 PolarHBondContact NH2-OD1 3.02Å; P492-D497 HydrophobicContact CB-CB 3.99Å; S494-D497 PolarHBondContact O-N 3Å; S494-D497 VanDerWaalsContact OG-CG 3.22Å; S494-D497 PolarHBondContact OG-N 3.07Å; S494-D497 PolarHBondContact OG-OD2 3.5Å; D497-I499 PolarHBondContact O-N 3.25Å; D497-H500 PolarHBondContact O-N 3.14Å; D497-R501 WeakPolarHBondContact O-CB 3.4Å; D497-R501 VanDerWaalsContact O-CG 3.26Å; D497-R501 WeakPolarHBondContact O-CG 3.33Å; D497-R501 PolarHBondContact O-N 3.25Å |
| 498 | Y | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 175.4 | 177.6 | -92.4 | 0 | 0 | 0 | 112.3 | L381 Q387 F389 P492 S494 H495 T496 H500 R501 A502 I532 | L381-Y498 HydrophobicContact CD2-CD1 4.33Å; L381-Y498 HydrophobicContact CD2-CE1 3.71Å; Q387-Y498 PolarHBondContact OE1-OH 3.49Å; F389-Y498 AromaticContact CE1-CE2 3.79Å; F389-Y498 HydrophobicContact CE1-CE2 3.79Å; F389-Y498 AromaticContact CZ-CE2 3.75Å; F389-Y498 HydrophobicContact CZ-CE2 3.75Å; F389-Y498 AromaticContact CZ-CZ 3.64Å; F389-Y498 VanDerWaalsContact CZ-OH 3.24Å; F389-Y498 WeakPolarHBondContact CZ-OH 3.4Å; P492-Y498 HydrophobicContact CG-CD2 4.03Å; S494-Y498 PolarHBondContact O-N 3.02Å; S494-Y498 VanDerWaalsContact O-N 3.07Å; H495-Y498 PolarHBondContact O-N 3.35Å; T496-Y498 VanDerWaalsContact C-N 3.33Å; T496-Y498 PolarHBondContact O-N 2.93Å; Y498-H500 VanDerWaalsContact C-N 3.32Å; Y498-H500 PolarHBondContact O-N 2.82Å; Y498-R501 PolarHBondContact O-N 3.48Å; Y498-A502 HydrophobicContact CE1-CB 4.41Å; Y498-A502 VanDerWaalsContact O-CB 3.27Å; Y498-A502 WeakPolarHBondContact O-CB 3.37Å; Y498-A502 PolarHBondContact O-N 3.46Å; Y498-I532 HydrophobicContact CD1-CD1 3.88Å; Y498-I532 HydrophobicContact CD1-CG1 4.45Å; Y498-I532 HydrophobicContact CD2-CD1 3.92Å; Y498-I532 HydrophobicContact CE1-CD1 4.16Å; Y498-I532 HydrophobicContact CE1-CG2 4.39Å; Y498-I532 HydrophobicContact CE2-CD1 4.19Å; Y498-I532 HydrophobicContact CG-CD1 3.78Å |
| 499 | I | 90.4 | Very high | 89.4 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.6 | -72.4 | 177.2 | 0 | 0 | 0 | 110.9 | H495 T496 D497 A502 G503 L542 M545 | H495-I499 PolarHBondContact O-N 3.18Å; T496-I499 PolarHBondContact O-N 3.3Å; D497-I499 PolarHBondContact O-N 3.25Å; I499-A502 PolarHBondContact O-N 3.29Å; I499-G503 PolarHBondContact O-N 2.86Å; I499-L542 HydrophobicContact CD1-CD1 3.47Å; I499-L542 VanDerWaalsContact CD1-CD1 3.47Å; I499-L542 HydrophobicContact CD1-CG 4.34Å; I499-L542 HydrophobicContact CG1-CD1 3.71Å; I499-M545 HydrophobicContact CD1-CE 4.19Å; I499-M545 HydrophobicContact CD1-SD 3.83Å |
| 500 | H | 88.2 | Confident | 88.2 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | -179.6 | -68.1 | 170.7 | 0 | 0 | 0 | 112.9 | D310 A351 T496 D497 Y498 | D310-H500 IonicContact OD2-CE1 2.82Å; D310-H500 PolarHBondContact OD2-CE1 2.78Å; D310-H500 IonicContact OD2-ND1 3.98Å; D310-H500 IonicContact OD2-NE2 3.61Å; A351-H500 WeakPolarHBondContact CB-NE2 3.29Å; T496-H500 WeakPolarHBondContact CG2-CE1 3.22Å; T496-H500 PolarHBondContact O-CD2 3.02Å; T496-H500 VanDerWaalsContact O-CG 3.23Å; T496-H500 PolarHBondContact O-N 2.89Å; D497-H500 PolarHBondContact O-N 3.14Å; Y498-H500 VanDerWaalsContact C-N 3.32Å; Y498-H500 PolarHBondContact O-N 2.82Å |
| 501 | R | 93.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.8 | -48.9 | 174.8 | -66.1 | -175.6 | -171.9 | -176.4 | 2.7 | 110.9 | F420 N422 D472 V486 N488 D490 D497 Y498 G503 R504 | F420-R501 HydrophobicContact CB-CG 4.48Å; F420-R501 HydrophobicContact CD1-CG 3.68Å; F420-R501 HydrophobicContact CD2-CB 4.01Å; F420-R501 HydrophobicContact CD2-CG 3.9Å; F420-R501 HydrophobicContact CE1-CB 4.46Å; F420-R501 HydrophobicContact CE1-CG 3.66Å; F420-R501 HydrophobicContact CE2-CB 3.86Å; F420-R501 HydrophobicContact CE2-CG 3.92Å; F420-R501 HydrophobicContact CG-CB 4.4Å; F420-R501 HydrophobicContact CG-CG 3.78Å; F420-R501 HydrophobicContact CZ-CB 4.12Å; F420-R501 HydrophobicContact CZ-CG 3.81Å; N422-R501 PolarHBondContact OD1-NH2 3.26Å; D472-R501 WeakPolarHBondContact OD1-CG 3.46Å; D472-R501 IonicContact OD1-CZ 3.89Å; D472-R501 IonicContact OD1-NE 3.95Å; D472-R501 PolarHBondContact OD1-NE 2.71Å; D472-R501 IonicContact OD1-NH2 3.29Å; D472-R501 IonicContact OD2-CZ 2.83Å; D472-R501 IonicContact OD2-NE 2.77Å; D472-R501 PolarHBondContact OD2-NE 3.35Å; D472-R501 IonicContact OD2-NH2 2.87Å; D472-R501 PolarHBondContact OD2-NH2 3.44Å; V486-R501 HydrophobicContact CG1-CB 4.46Å; N488-R501 WeakPolarHBondContact OD1-CB 3.44Å; N488-R501 WeakPolarHBondContact OD1-CD 3.35Å; D490-R501 PolarHBondContact O-NH1 3.28Å; D497-R501 WeakPolarHBondContact O-CB 3.4Å; D497-R501 VanDerWaalsContact O-CG 3.26Å; D497-R501 WeakPolarHBondContact O-CG 3.33Å; D497-R501 PolarHBondContact O-N 3.25Å; Y498-R501 PolarHBondContact O-N 3.48Å; R501-G503 PolarHBondContact O-N 3.45Å; R501-R504 WeakPolarHBondContact O-CB 3.12Å; R501-R504 WeakPolarHBondContact O-CG 3.27Å; R501-R504 PolarHBondContact O-N 3.05Å; R501-R504 VanDerWaalsContact O-N 3.12Å |
| 502 | A | 92.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -34.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M382 Y498 I499 R504 V505 V516 | M382-A502 HydrophobicContact SD-CB 4.19Å; Y498-A502 HydrophobicContact CE1-CB 4.41Å; Y498-A502 VanDerWaalsContact O-CB 3.27Å; Y498-A502 WeakPolarHBondContact O-CB 3.37Å; Y498-A502 PolarHBondContact O-N 3.46Å; I499-A502 PolarHBondContact O-N 3.29Å; A502-R504 PolarHBondContact O-N 3.07Å; A502-V505 WeakPolarHBondContact O-CG2 3.48Å; A502-V505 PolarHBondContact O-N 3.44Å; A502-V516 HydrophobicContact CB-CG2 3.93Å |
| 503 | G | 89.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T198 I499 R501 | T198-G503 VanDerWaalsContact CG2-O 3.28Å; T198-G503 WeakPolarHBondContact CG2-O 2.96Å; I499-G503 PolarHBondContact O-N 2.86Å; R501-G503 PolarHBondContact O-N 3.45Å |
| 504 | R | 91.2 | Very high | 85.5 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.3 | 171.6 | -58.9 | -66.2 | 168.7 | -164.3 | -12.8 | 113.2 | L418 F420 S475 L478 T480 V486 R501 A502 | L418-R504 HydrophobicContact CD2-CB 3.81Å; L418-R504 HydrophobicContact CD2-CG 3.74Å; F420-R504 HydrophobicContact CE2-CG 4.28Å; F420-R504 HydrophobicContact CZ-CG 4Å; S475-R504 PolarHBondContact O-NH1 2.99Å; S475-R504 PolarHBondContact O-NH2 3.47Å; L478-R504 VanDerWaalsContact N-NH1 3.14Å; L478-R504 PolarHBondContact O-NH1 2.94Å; T480-R504 VanDerWaalsContact CB-O 3.32Å; T480-R504 WeakPolarHBondContact CB-O 3.24Å; T480-R504 HydrophobicContact CG2-CB 4.22Å; T480-R504 HydrophobicContact CG2-CG 4.48Å; T480-R504 WeakPolarHBondContact OG1-CD 3.43Å; T480-R504 PolarHBondContact OG1-O 3.24Å; V486-R504 HydrophobicContact CG2-CB 3.81Å; R501-R504 WeakPolarHBondContact O-CB 3.12Å; R501-R504 WeakPolarHBondContact O-CG 3.27Å; R501-R504 PolarHBondContact O-N 3.05Å; R501-R504 VanDerWaalsContact O-N 3.12Å; A502-R504 PolarHBondContact O-N 3.07Å |
| 505 | V | 90.6 | Very high | 85.6 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -113.3 | 167.2 | 171 | -73.8 | 0 | 0 | 0 | 0 | 110.6 | M382 V385 V483 V486 A502 R507 V516 | M382-V505 WeakPolarHBondContact CE-O 3.32Å; V385-V505 HydrophobicContact CG1-CG2 3.72Å; V385-V505 HydrophobicContact CG2-CG2 4.32Å; V483-V505 HydrophobicContact CB-CG1 4.16Å; V483-V505 HydrophobicContact CG1-CG1 3.63Å; V483-V505 WeakPolarHBondContact O-CG1 3.43Å; V486-V505 HydrophobicContact CB-CG1 4.33Å; V486-V505 HydrophobicContact CG2-CB 4.4Å; V486-V505 HydrophobicContact CG2-CG1 3.57Å; V486-V505 HydrophobicContact CG2-CG2 4.2Å; A502-V505 WeakPolarHBondContact O-CG2 3.48Å; A502-V505 PolarHBondContact O-N 3.44Å; V505-R507 VanDerWaalsContact C-N 3.28Å; V505-R507 PolarHBondContact O-N 3.42Å; V505-V516 HydrophobicContact CG2-CG2 3.67Å |
| 506 | G | 83.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 58.9 | 36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H384 | H384-G506 PolarHBondContact CD2-O 2.91Å; H384-G506 PolarHBondContact NE2-O 2.56Å |
| 507 | R | 81.5 | Confident | 86.4 | Confident | 63 Ų | 63 | 29.5 Ų | 29.5 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | trans | -83.2 | 160.2 | 177.5 | -62.9 | 179 | 65.1 | 105.2 | -3 | 110.8 | V505 G509 G510 | V505-R507 VanDerWaalsContact C-N 3.28Å; V505-R507 PolarHBondContact O-N 3.42Å; R507-G509 PolarHBondContact O-N 2.85Å; R507-G510 PolarHBondContact O-N 3.36Å | ||
| 508 | A | 70.5 | Confident | 86.8 | Confident | 48 Ų | 48 | 28.4 Ų | 28.4 | 40% | 0.397 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 128.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | F137 G510 | F137-A508 HydrophobicContact CD2-CB 4.36Å; F137-A508 HydrophobicContact CE2-CB 3.57Å; F137-A508 HydrophobicContact CZ-CB 4.32Å; A508-G510 PolarHBondContact O-N 2.91Å |
| 509 | G | 70.8 | Confident | 87 | Confident | 84 Ų | 84 | 28.4 Ų | 28.4 | 87% | 0.866 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 9.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R507 | R507-G509 PolarHBondContact O-N 2.85Š|
| 510 | G | 75 | Confident | 87.3 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -92.4 | -176.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S481 R507 A508 E512 | S481-G510 WeakPolarHBondContact O-CA 3.44Å; R507-G510 PolarHBondContact O-N 3.36Å; A508-G510 PolarHBondContact O-N 2.91Å; G510-E512 PolarHBondContact O-N 3.22Å |
| 511 | V | 79.6 | Confident | 87.7 | Confident | 47 Ų | 47 | 28.1 Ų | 28.1 | 29% | 0.285 | 18% | 0.176 | S | C | . | . | trans | -65.1 | 131.2 | 178.8 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | S481 R484 D513 | S481-V511 PolarHBondContact O-N 3Å; R484-V511 HydrophobicContact CB-CG1 4.36Å; R484-V511 HydrophobicContact CG-CG1 4.35Å; V511-D513 WeakPolarHBondContact CG1-OD1 3.36Å; V511-D513 PolarHBondContact O-N 2.82Å | ||
| 512 | E | 73.1 | Confident | 87.7 | Confident | 182 Ų | 182 | 31.8 Ų | 31.8 | 85% | 0.85 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.8 | -171 | -63.8 | -171 | 155.3 | 0 | 0 | 114.8 | G510 | G510-E512 PolarHBondContact O-N 3.22Š|
| 513 | D | 81.8 | Confident | 87.8 | Confident | 76 Ų | 76 | 34.5 Ų | 34.5 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 37.1 | -178.4 | 64.4 | -6.5 | 0 | 0 | 0 | 113.8 | R484 V511 E515 | R484-D513 VanDerWaalsContact CZ-CG 3.44Å; R484-D513 IonicContact CZ-OD1 3.41Å; R484-D513 IonicContact CZ-OD2 2.94Å; R484-D513 IonicContact NE-OD1 3.69Å; R484-D513 IonicContact NE-OD2 3.86Å; R484-D513 IonicContact NH1-OD1 3Å; R484-D513 PolarHBondContact NH1-OD1 3.37Å; R484-D513 IonicContact NH1-OD2 2.63Å; R484-D513 PolarHBondContact NH1-OD2 2.94Å; R484-D513 IonicContact NH2-OD2 3Å; R484-D513 PolarHBondContact NH2-OD2 2.95Å; V511-D513 WeakPolarHBondContact CG1-OD1 3.36Å; V511-D513 PolarHBondContact O-N 2.82Å; D513-E515 PolarHBondContact O-N 2.83Å |
| 514 | G | 89.4 | Confident | 88 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | trans | -57 | 133.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R484 | R484-G514 CarbonylContact O-C 3.53Å; R484-G514 VanDerWaalsContact O-CA 3.31Å; R484-G514 WeakPolarHBondContact O-CA 3.28Å | ||
| 515 | E | 93.8 | Very high | 88.2 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.1 | 174 | 66.8 | 174 | -165.6 | 0 | 0 | 113.2 | K386 R484 L485 V486 D513 | K386-E515 HydrophobicContact CB-CB 4.24Å; K386-E515 IonicContact NZ-OE2 3.21Å; K386-E515 PolarHBondContact NZ-OE2 2.92Å; K386-E515 CarbonylContact O-C 3.55Å; K386-E515 VanDerWaalsContact O-CA 3.29Å; K386-E515 WeakPolarHBondContact O-CA 3.25Å; R484-E515 PolarHBondContact O-N 2.9Å; L485-E515 WeakPolarHBondContact CA-O 3.41Å; L485-E515 HydrophobicContact CD1-CG 3.73Å; V486-E515 PolarHBondContact N-O 3.28Å; D513-E515 PolarHBondContact O-N 2.83Å |
| 516 | V | 97.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.2 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | V385 K386 Q387 T388 V486 A502 V505 | V385-V516 HydrophobicContact CG1-CG2 3.73Å; K386-V516 PolarHBondContact O-N 3.33Å; Q387-V516 CarbonylContact C-O 3.48Å; Q387-V516 WeakPolarHBondContact CA-O 3.47Å; Q387-V516 HydrophobicContact CB-CB 4.45Å; Q387-V516 HydrophobicContact CG-CB 4.05Å; Q387-V516 HydrophobicContact CG-CG2 4.24Å; T388-V516 PolarHBondContact N-O 3.08Å; V486-V516 HydrophobicContact CB-CG2 4.28Å; V486-V516 HydrophobicContact CG1-CG1 4.29Å; V486-V516 CarbonylContact O-C 3.53Å; V486-V516 WeakPolarHBondContact O-CA 3.19Å; A502-V516 HydrophobicContact CB-CG2 3.93Å; V505-V516 HydrophobicContact CG2-CG2 3.67Å |
| 517 | L | 98 | Very high | 88.9 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.3 | 171.6 | 176.1 | 66.2 | 0 | 0 | 0 | 109 | T388 Y404 L485 V486 V487 N488 F519 | T388-L517 HydrophobicContact CG2-CD1 4.12Å; T388-L517 CarbonylContact O-C 3.57Å; T388-L517 WeakPolarHBondContact O-CA 3.49Å; Y404-L517 HydrophobicContact CD1-CD2 3.73Å; Y404-L517 HydrophobicContact CD2-CD2 3.33Å; Y404-L517 HydrophobicContact CE1-CD1 4.19Å; Y404-L517 HydrophobicContact CE1-CD2 3.88Å; Y404-L517 HydrophobicContact CE2-CD1 4.19Å; Y404-L517 HydrophobicContact CE2-CD2 3.54Å; Y404-L517 HydrophobicContact CG-CD2 3.45Å; Y404-L517 VanDerWaalsContact CG-CD2 3.45Å; L485-L517 HydrophobicContact CD1-CB 4.21Å; V486-L517 PolarHBondContact O-N 3.39Å; V487-L517 CarbonylContact C-O 3.57Å; V487-L517 WeakPolarHBondContact CA-O 3.48Å; V487-L517 HydrophobicContact CG1-CB 4.44Å; V487-L517 HydrophobicContact CG1-CD2 4.14Å; V487-L517 HydrophobicContact CG1-CG 4.38Å; V487-L517 HydrophobicContact CG2-CB 4.45Å; V487-L517 HydrophobicContact CG2-CD2 4.45Å; N488-L517 PolarHBondContact N-O 2.95Å; L517-F519 HydrophobicContact CD1-CE1 4.28Å; L517-F519 HydrophobicContact CD2-CE1 3.66Å; L517-F519 HydrophobicContact CD2-CZ 3.95Å; L517-F519 HydrophobicContact CG-CD1 4.37Å; L517-F519 HydrophobicContact CG-CE1 3.94Å |
| 518 | S | 98.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.9 | 178.6 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | T388 F389 L390 N488 | T388-S518 PolarHBondContact O-N 3.36Å; F389-S518 WeakPolarHBondContact CA-O 3.46Å; L390-S518 PolarHBondContact N-O 3.3Å; N488-S518 PolarHBondContact ND2-OG 3.02Å |
| 519 | F | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.1 | 173.7 | -66.9 | -22.6 | 0 | 0 | 0 | 110.3 | L390 V392 K397 E400 L401 V487 N488 Y489 L517 | L390-F519 HydrophobicContact CB-CD1 4.47Å; L390-F519 HydrophobicContact CD2-CD1 4.37Å; L390-F519 HydrophobicContact CD2-CE1 4.13Å; V392-F519 HydrophobicContact CG1-CD1 4.12Å; V392-F519 HydrophobicContact CG2-CB 3.63Å; V392-F519 HydrophobicContact CG2-CD1 4.22Å; V392-F519 HydrophobicContact CG2-CG 3.92Å; K397-F519 HydrophobicContact CB-CD2 4.17Å; K397-F519 HydrophobicContact CB-CE2 4.37Å; K397-F519 HydrophobicContact CG-CD2 4.17Å; K397-F519 WeakPolarHBondContact O-CE2 3.18Å; E400-F519 HydrophobicContact CB-CE1 4.02Å; E400-F519 HydrophobicContact CB-CE2 4.4Å; E400-F519 HydrophobicContact CB-CZ 3.66Å; L401-F519 HydrophobicContact CB-CE2 4.1Å; L401-F519 HydrophobicContact CB-CZ 4.35Å; V487-F519 HydrophobicContact CG1-CE2 4.26Å; V487-F519 HydrophobicContact CG1-CZ 4.41Å; N488-F519 PolarHBondContact O-N 2.87Å; Y489-F519 HydrophobicContact CD2-CD2 4.01Å; Y489-F519 AromaticContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CE2-CE2 4.47Å; L517-F519 HydrophobicContact CD1-CE1 4.28Å; L517-F519 HydrophobicContact CD2-CE1 3.66Å; L517-F519 HydrophobicContact CD2-CZ 3.95Å; L517-F519 HydrophobicContact CG-CD1 4.37Å; L517-F519 HydrophobicContact CG-CE1 3.94Å |
| 520 | V | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 110.9 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | W116 F389 L390 K391 V392 F491 D525 V526 V529 | W116-V520 HydrophobicContact CE3-CB 4.31Å; W116-V520 HydrophobicContact CE3-CG1 4.16Å; W116-V520 HydrophobicContact CE3-CG2 4.5Å; W116-V520 HydrophobicContact CZ3-CB 4.18Å; W116-V520 HydrophobicContact CZ3-CG1 4.49Å; W116-V520 HydrophobicContact CZ3-CG2 4.02Å; F389-V520 HydrophobicContact CB-CG2 4.48Å; F389-V520 HydrophobicContact CD1-CG2 4.4Å; L390-V520 PolarHBondContact O-N 3.42Å; K391-V520 WeakPolarHBondContact CA-O 3.45Å; K391-V520 HydrophobicContact CD-CB 4.38Å; K391-V520 HydrophobicContact CD-CG1 4.16Å; K391-V520 VanDerWaalsContact CD-O 3.31Å; K391-V520 WeakPolarHBondContact CD-O 3.02Å; K391-V520 WeakPolarHBondContact CE-O 3.42Å; V392-V520 PolarHBondContact N-O 3.48Å; F491-V520 HydrophobicContact CD2-CG2 3.93Å; F491-V520 HydrophobicContact CE2-CG2 3.89Å; V520-D525 HydrophobicContact CG1-CB 3.82Å; V520-V526 HydrophobicContact CG1-CG2 4.38Å; V520-V529 HydrophobicContact CB-CG2 4.4Å; V520-V529 HydrophobicContact CG1-CG2 3.93Å; V520-V529 HydrophobicContact CG2-CG2 3.52Å |
| 521 | T | 95 | Very high | 93 | Very high | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | trans | -108.7 | -47.7 | -172.3 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | K391 D525 | K391-T521 WeakPolarHBondContact CE-O 3.25Å; K391-T521 VanDerWaalsContact NZ-C 3.34Å; K391-T521 PolarHBondContact NZ-O 3.38Å; T521-D525 PolarHBondContact N-OD2 3.25Å | ||
| 522 | H | 94.5 | Very high | 93.8 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -99.1 | 158.8 | -168 | -59.8 | -74.2 | 0 | 0 | 0 | 112.9 | K391 W524 D525 | K391-H522 PolarHBondContact NZ-O 2.93Å; H522-W524 VanDerWaalsContact C-N 3.27Å; H522-W524 HydrophobicContact CB-CD2 3.46Å; H522-W524 VanDerWaalsContact CB-CD2 3.46Å; H522-W524 HydrophobicContact CB-CE3 3.84Å; H522-W524 HydrophobicContact CB-CG 4.07Å; H522-W524 HydrophobicContact CB-CH2 3.71Å; H522-W524 HydrophobicContact CB-CZ2 3.31Å; H522-W524 HydrophobicContact CB-CZ3 3.94Å; H522-W524 AromaticContact CD2-CE2 3.82Å; H522-W524 AromaticContact CD2-CZ2 3.41Å; H522-W524 VanDerWaalsContact CD2-CZ2 3.41Å; H522-W524 WeakPolarHBondContact CD2-CZ2 3.33Å; H522-W524 AromaticContact CD2-NE1 3.96Å; H522-W524 AromaticContact CE1-CH2 3.9Å; H522-W524 AromaticContact CE1-CZ2 3.78Å; H522-W524 AromaticContact CG-CE2 3.43Å; H522-W524 VanDerWaalsContact CG-CE2 3.43Å; H522-W524 AromaticContact CG-CH2 3.48Å; H522-W524 VanDerWaalsContact CG-CH2 3.48Å; H522-W524 AromaticContact CG-CZ2 3.04Å; H522-W524 AromaticContact CG-NE1 3.9Å; H522-W524 AromaticContact ND1-CH2 3.27Å; H522-W524 VanDerWaalsContact ND1-CH2 3.27Å; H522-W524 WeakPolarHBondContact ND1-CH2 3.48Å; H522-W524 AromaticContact ND1-CZ2 3.31Å; H522-W524 VanDerWaalsContact ND1-CZ2 3.31Å; H522-W524 WeakPolarHBondContact ND1-CZ2 3.29Å; H522-W524 AromaticContact NE2-CZ2 3.87Å; H522-W524 PolarHBondContact O-N 2.96Å; H522-D525 IonicContact CD2-OD2 3.5Å; H522-D525 PolarHBondContact N-OD2 3.21Å; H522-D525 WeakPolarHBondContact O-CB 3.05Å; H522-D525 PolarHBondContact O-N 3.35Å |
| 523 | P | 94 | Very high | 94.8 | Very high | 59 Ų | 59 | 33.1 Ų | 33.1 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.6 | 175.9 | -24.8 | 35.7 | 0 | 0 | 0 | 114.3 | K117 V526 | K117-P523 HydrophobicContact CB-CB 4.43Å; K117-P523 HydrophobicContact CG-CB 4.41Å; P523-V526 WeakPolarHBondContact O-CB 3.3Å; P523-V526 PolarHBondContact O-N 3.09Å |
| 524 | W | 93.8 | Very high | 95.4 | Very high | 177 Ų | 177 | 30.8 Ų | 30.8 | 67% | 0.67 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -31 | 177.8 | 53.7 | 81.2 | 0 | 0 | 0 | 112.6 | H522 V526 | H522-W524 VanDerWaalsContact C-N 3.27Å; H522-W524 HydrophobicContact CB-CD2 3.46Å; H522-W524 VanDerWaalsContact CB-CD2 3.46Å; H522-W524 HydrophobicContact CB-CE3 3.84Å; H522-W524 HydrophobicContact CB-CG 4.07Å; H522-W524 HydrophobicContact CB-CH2 3.71Å; H522-W524 HydrophobicContact CB-CZ2 3.31Å; H522-W524 HydrophobicContact CB-CZ3 3.94Å; H522-W524 AromaticContact CD2-CE2 3.82Å; H522-W524 AromaticContact CD2-CZ2 3.41Å; H522-W524 VanDerWaalsContact CD2-CZ2 3.41Å; H522-W524 WeakPolarHBondContact CD2-CZ2 3.33Å; H522-W524 AromaticContact CD2-NE1 3.96Å; H522-W524 AromaticContact CE1-CH2 3.9Å; H522-W524 AromaticContact CE1-CZ2 3.78Å; H522-W524 AromaticContact CG-CE2 3.43Å; H522-W524 VanDerWaalsContact CG-CE2 3.43Å; H522-W524 AromaticContact CG-CH2 3.48Å; H522-W524 VanDerWaalsContact CG-CH2 3.48Å; H522-W524 AromaticContact CG-CZ2 3.04Å; H522-W524 AromaticContact CG-NE1 3.9Å; H522-W524 AromaticContact ND1-CH2 3.27Å; H522-W524 VanDerWaalsContact ND1-CH2 3.27Å; H522-W524 WeakPolarHBondContact ND1-CH2 3.48Å; H522-W524 AromaticContact ND1-CZ2 3.31Å; H522-W524 VanDerWaalsContact ND1-CZ2 3.31Å; H522-W524 WeakPolarHBondContact ND1-CZ2 3.29Å; H522-W524 AromaticContact NE2-CZ2 3.87Å; H522-W524 PolarHBondContact O-N 2.96Å; W524-V526 PolarHBondContact O-N 2.91Å |
| 525 | D | 95.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -30 | 173.5 | -55 | -23.1 | 0 | 0 | 0 | 111.9 | F491 V520 T521 H522 E527 L528 V529 | F491-D525 HydrophobicContact CB-CB 4.22Å; F491-D525 HydrophobicContact CD1-CB 3.72Å; F491-D525 HydrophobicContact CE1-CB 4.41Å; F491-D525 HydrophobicContact CG-CB 4.12Å; V520-D525 HydrophobicContact CG1-CB 3.82Å; T521-D525 PolarHBondContact N-OD2 3.25Å; H522-D525 IonicContact CD2-OD2 3.5Å; H522-D525 PolarHBondContact N-OD2 3.21Å; H522-D525 WeakPolarHBondContact O-CB 3.05Å; H522-D525 PolarHBondContact O-N 3.35Å; D525-E527 VanDerWaalsContact C-N 3.29Å; D525-E527 PolarHBondContact O-N 2.72Å; D525-L528 PolarHBondContact O-N 3.41Å; D525-V529 WeakPolarHBondContact O-CG2 3.44Å; D525-V529 PolarHBondContact O-N 3.16Å; D525-V529 VanDerWaalsContact O-N 3.11Å |
| 526 | V | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.8 | -33.4 | -170.4 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | W116 K117 V520 P523 W524 V529 Q530 | W116-V526 HydrophobicContact CB-CG1 3.85Å; W116-V526 HydrophobicContact CB-CG2 3.89Å; W116-V526 WeakPolarHBondContact O-CG2 3.45Å; K117-V526 HydrophobicContact CG-CB 4.11Å; K117-V526 HydrophobicContact CG-CG1 4.06Å; K117-V526 HydrophobicContact CG-CG2 4.22Å; V520-V526 HydrophobicContact CG1-CG2 4.38Å; P523-V526 WeakPolarHBondContact O-CB 3.3Å; P523-V526 PolarHBondContact O-N 3.09Å; W524-V526 PolarHBondContact O-N 2.91Å; V526-V529 PolarHBondContact O-N 3.22Å; V526-Q530 HydrophobicContact CG1-CG 4.21Å; V526-Q530 WeakPolarHBondContact O-CB 3.33Å; V526-Q530 VanDerWaalsContact O-CG 3.24Å; V526-Q530 WeakPolarHBondContact O-CG 3.44Å; V526-Q530 PolarHBondContact O-N 2.9Å |
| 527 | E | 94.4 | Very high | 95.3 | Very high | 119 Ų | 119 | 30.3 Ų | 30.3 | 56% | 0.556 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -65.6 | -45 | 178.9 | -176.7 | 172.4 | -179.7 | 0 | 0 | 111.3 | D525 V529 Q530 N531 | D525-E527 VanDerWaalsContact C-N 3.29Å; D525-E527 PolarHBondContact O-N 2.72Å; E527-V529 VanDerWaalsContact C-N 3.33Å; E527-V529 PolarHBondContact O-N 2.88Å; E527-Q530 PolarHBondContact O-N 3.21Å; E527-N531 PolarHBondContact O-N 2.9Å; E527-N531 PolarHBondContact O-ND2 3.36Å |
| 528 | L | 95.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 11% | 0.11 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.9 | -177.5 | 65.6 | 0 | 0 | 0 | 111.2 | F491 P492 H495 D525 N531 I532 | F491-L528 HydrophobicContact CD1-CD2 4.11Å; F491-L528 HydrophobicContact CE1-CB 3.94Å; F491-L528 HydrophobicContact CE1-CD2 3.61Å; F491-L528 HydrophobicContact CE1-CG 3.83Å; P492-L528 WeakPolarHBondContact O-CD2 3.47Å; H495-L528 HydrophobicContact CB-CD1 4.33Å; H495-L528 WeakPolarHBondContact CD2-CD1 3.45Å; H495-L528 VanDerWaalsContact CG-CD1 3.48Å; H495-L528 VanDerWaalsContact NE2-CD1 3.3Å; H495-L528 WeakPolarHBondContact NE2-CD1 3.23Å; D525-L528 PolarHBondContact O-N 3.41Å; L528-N531 PolarHBondContact O-N 3.27Å; L528-I532 HydrophobicContact CG-CD1 4.19Å; L528-I532 VanDerWaalsContact O-CG1 3.29Å; L528-I532 WeakPolarHBondContact O-CG1 3.39Å; L528-I532 PolarHBondContact O-N 3.03Å |
| 529 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | W116 F126 F389 F491 V520 D525 V526 E527 N531 I532 E533 | W116-V529 HydrophobicContact CE3-CG1 4.36Å; W116-V529 HydrophobicContact CZ3-CG1 4.21Å; F126-V529 HydrophobicContact CE1-CG1 3.59Å; F126-V529 HydrophobicContact CZ-CG1 3.75Å; F389-V529 HydrophobicContact CD1-CG1 4.25Å; F389-V529 HydrophobicContact CD1-CG2 4.27Å; F491-V529 HydrophobicContact CE1-CG2 3.64Å; F491-V529 HydrophobicContact CE2-CG2 3.87Å; F491-V529 HydrophobicContact CZ-CB 4.44Å; F491-V529 HydrophobicContact CZ-CG2 3.28Å; V520-V529 HydrophobicContact CB-CG2 4.4Å; V520-V529 HydrophobicContact CG1-CG2 3.93Å; V520-V529 HydrophobicContact CG2-CG2 3.52Å; D525-V529 WeakPolarHBondContact O-CG2 3.44Å; D525-V529 PolarHBondContact O-N 3.16Å; D525-V529 VanDerWaalsContact O-N 3.11Å; V526-V529 PolarHBondContact O-N 3.22Å; E527-V529 VanDerWaalsContact C-N 3.33Å; E527-V529 PolarHBondContact O-N 2.88Å; V529-N531 VanDerWaalsContact C-N 3.32Å; V529-N531 PolarHBondContact O-N 3.49Å; V529-I532 PolarHBondContact O-N 3.17Å; V529-E533 WeakPolarHBondContact O-CB 2.94Å; V529-E533 PolarHBondContact O-N 3.23Å |
| 530 | Q | 95.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 179.5 | -76.9 | 174.3 | -3.8 | 0 | 0 | 111.8 | L111 S113 V526 E527 T534 | L111-Q530 HydrophobicContact CD1-CB 3.73Å; L111-Q530 HydrophobicContact CD1-CG 3.73Å; S113-Q530 PolarHBondContact O-NE2 2.92Å; S113-Q530 WeakPolarHBondContact OG-CG 3.41Å; V526-Q530 HydrophobicContact CG1-CG 4.21Å; V526-Q530 WeakPolarHBondContact O-CB 3.33Å; V526-Q530 VanDerWaalsContact O-CG 3.24Å; V526-Q530 WeakPolarHBondContact O-CG 3.44Å; V526-Q530 PolarHBondContact O-N 2.9Å; E527-Q530 PolarHBondContact O-N 3.21Å; Q530-T534 VanDerWaalsContact O-CB 3.28Å; Q530-T534 WeakPolarHBondContact O-CB 3.36Å; Q530-T534 PolarHBondContact O-N 2.98Å; Q530-T534 PolarHBondContact O-OG1 2.82Å |
| 531 | N | 95.3 | Very high | 93.7 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 28% | 0.278 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 174.1 | -71.7 | -22.4 | 0 | 0 | 0 | 111.7 | H495 E527 L528 V529 T534 A535 P543 | H495-N531 WeakPolarHBondContact NE2-CB 3.38Å; E527-N531 PolarHBondContact O-N 2.9Å; E527-N531 PolarHBondContact O-ND2 3.36Å; L528-N531 PolarHBondContact O-N 3.27Å; V529-N531 VanDerWaalsContact C-N 3.32Å; V529-N531 PolarHBondContact O-N 3.49Å; N531-T534 PolarHBondContact O-N 2.68Å; N531-A535 WeakPolarHBondContact O-CB 3.36Å; N531-A535 PolarHBondContact O-N 3.2Å; N531-P543 HydrophobicContact CB-CG 3.76Å |
| 532 | I | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 175.9 | -68.1 | 163.5 | 0 | 0 | 0 | 110.9 | I128 L381 F389 F491 Y498 L528 V529 T534 A535 A536 L542 | I128-I532 HydrophobicContact CD1-CG2 4.21Å; L381-I532 HydrophobicContact CD1-CG2 3.87Å; L381-I532 HydrophobicContact CD2-CG2 3.98Å; F389-I532 HydrophobicContact CE1-CD1 4.21Å; F389-I532 HydrophobicContact CE1-CG2 4.38Å; F389-I532 HydrophobicContact CE2-CG2 4.2Å; F389-I532 HydrophobicContact CZ-CB 4.47Å; F389-I532 HydrophobicContact CZ-CD1 4.37Å; F389-I532 HydrophobicContact CZ-CG2 3.62Å; F491-I532 HydrophobicContact CZ-CD1 4.26Å; Y498-I532 HydrophobicContact CD1-CD1 3.88Å; Y498-I532 HydrophobicContact CD1-CG1 4.45Å; Y498-I532 HydrophobicContact CD2-CD1 3.92Å; Y498-I532 HydrophobicContact CE1-CD1 4.16Å; Y498-I532 HydrophobicContact CE1-CG2 4.39Å; Y498-I532 HydrophobicContact CE2-CD1 4.19Å; Y498-I532 HydrophobicContact CG-CD1 3.78Å; L528-I532 HydrophobicContact CG-CD1 4.19Å; L528-I532 VanDerWaalsContact O-CG1 3.29Å; L528-I532 WeakPolarHBondContact O-CG1 3.39Å; L528-I532 PolarHBondContact O-N 3.03Å; V529-I532 PolarHBondContact O-N 3.17Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.38Å; I532-A535 PolarHBondContact O-N 2.93Å; I532-A536 WeakPolarHBondContact O-CB 3.32Å; I532-A536 PolarHBondContact O-N 3.33Å; I532-L542 HydrophobicContact CB-CD2 4.39Å; I532-L542 HydrophobicContact CG1-CD2 3.9Å |
| 533 | E | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 177.8 | -169.1 | -172.4 | 160.1 | 0 | 0 | 111.1 | L111 C112 S113 F126 V529 A535 A536 R537 | L111-E533 VanDerWaalsContact CA-OE1 3.3Å; L111-E533 WeakPolarHBondContact CA-OE1 3.35Å; L111-E533 WeakPolarHBondContact CB-OE2 3.36Å; L111-E533 HydrophobicContact CD2-CB 4.31Å; L111-E533 HydrophobicContact CD2-CG 4.05Å; C112-E533 WeakPolarHBondContact CB-OE1 3.32Å; C112-E533 VanDerWaalsContact N-CD 3.34Å; C112-E533 PolarHBondContact N-OE1 2.91Å; C112-E533 PolarHBondContact N-OE2 2.63Å; C112-E533 VanDerWaalsContact N-OE2 3.17Å; S113-E533 WeakPolarHBondContact CB-OE2 3.17Å; S113-E533 PolarHBondContact N-OE2 3.34Å; S113-E533 PolarHBondContact OG-OE2 3.29Å; F126-E533 HydrophobicContact CD2-CG 4.45Å; F126-E533 HydrophobicContact CE2-CB 4.11Å; F126-E533 HydrophobicContact CE2-CG 3.95Å; F126-E533 HydrophobicContact CZ-CB 3.92Å; F126-E533 HydrophobicContact CZ-CG 4.1Å; V529-E533 WeakPolarHBondContact O-CB 2.94Å; V529-E533 PolarHBondContact O-N 3.23Å; E533-A535 PolarHBondContact O-N 3.3Å; E533-A536 WeakPolarHBondContact O-CB 3.43Å; E533-A536 PolarHBondContact O-N 3.39Å; E533-R537 VanDerWaalsContact O-CG 3.27Å; E533-R537 WeakPolarHBondContact O-CG 3.35Å; E533-R537 PolarHBondContact O-N 3.2Å; E533-R537 IonicContact OE1-CZ 2.83Å; E533-R537 VanDerWaalsContact OE1-CZ 3.29Å; E533-R537 IonicContact OE1-NE 2.65Å; E533-R537 PolarHBondContact OE1-NE 3.09Å; E533-R537 IonicContact OE1-NH2 3.71Å; E533-R537 PolarHBondContact OE1-NH2 3.4Å |
| 534 | T | 93.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 43 Ų | 43 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 178.2 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | P109 Q530 N531 I532 A536 R537 R538 | P109-T534 HydrophobicContact CG-CG2 4.22Å; Q530-T534 VanDerWaalsContact O-CB 3.28Å; Q530-T534 WeakPolarHBondContact O-CB 3.36Å; Q530-T534 PolarHBondContact O-N 2.98Å; Q530-T534 PolarHBondContact O-OG1 2.82Å; N531-T534 PolarHBondContact O-N 2.68Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.38Å; T534-A536 VanDerWaalsContact C-N 3.32Å; T534-A536 PolarHBondContact O-N 3.07Å; T534-R537 PolarHBondContact O-N 3.21Å; T534-R538 WeakPolarHBondContact O-CB 3.38Å; T534-R538 WeakPolarHBondContact O-CG 3.46Å; T534-R538 PolarHBondContact O-N 3.47Å |
| 535 | A | 93.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N531 I532 E533 R538 K539 T540 L542 | N531-A535 WeakPolarHBondContact O-CB 3.36Å; N531-A535 PolarHBondContact O-N 3.2Å; I532-A535 PolarHBondContact O-N 2.93Å; E533-A535 PolarHBondContact O-N 3.3Å; A535-R538 PolarHBondContact O-N 2.85Å; A535-K539 WeakPolarHBondContact O-CA 3.41Å; A535-K539 PolarHBondContact O-N 3.19Å; A535-T540 PolarHBondContact O-N 3.35Å; A535-L542 HydrophobicContact CB-CD2 3.72Å |
| 536 | A | 92.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -51.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I88 I128 L381 I532 E533 T534 R538 K539 | I88-A536 HydrophobicContact CD1-CB 4.14Å; I128-A536 HydrophobicContact CD1-CB 3.65Å; I128-A536 HydrophobicContact CG1-CB 4.15Å; I128-A536 HydrophobicContact CG2-CB 4.21Å; L381-A536 HydrophobicContact CD1-CB 3.62Å; I532-A536 WeakPolarHBondContact O-CB 3.32Å; I532-A536 PolarHBondContact O-N 3.33Å; E533-A536 WeakPolarHBondContact O-CB 3.43Å; E533-A536 PolarHBondContact O-N 3.39Å; T534-A536 VanDerWaalsContact C-N 3.32Å; T534-A536 PolarHBondContact O-N 3.07Å; A536-R538 VanDerWaalsContact C-N 3.26Å; A536-R538 PolarHBondContact O-N 3.4Å; A536-K539 PolarHBondContact O-N 3.35Å; A536-K539 VanDerWaalsContact O-N 3.15Å |
| 537 | R | 92.1 | Very high | 89.6 | Confident | 10 Ų | 10 | 41 Ų | 41 | 4% | 0.038 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -31.3 | -178.6 | -69 | -177.5 | 175.5 | -85.8 | 5.4 | 113.3 | I88 L95 Q97 A103 C112 E533 T534 | I88-R537 HydrophobicContact CD1-CG 4.4Å; I88-R537 HydrophobicContact CG1-CG 3.89Å; L95-R537 PolarHBondContact O-NH1 2.88Å; L95-R537 PolarHBondContact O-NH2 3.45Å; Q97-R537 PolarHBondContact NE2-O 2.89Å; A103-R537 PolarHBondContact N-O 2.88Å; C112-R537 PolarHBondContact SG-NH2 3.29Å; E533-R537 VanDerWaalsContact O-CG 3.27Å; E533-R537 WeakPolarHBondContact O-CG 3.35Å; E533-R537 PolarHBondContact O-N 3.2Å; E533-R537 IonicContact OE1-CZ 2.83Å; E533-R537 VanDerWaalsContact OE1-CZ 3.29Å; E533-R537 IonicContact OE1-NE 2.65Å; E533-R537 PolarHBondContact OE1-NE 3.09Å; E533-R537 IonicContact OE1-NH2 3.71Å; E533-R537 PolarHBondContact OE1-NH2 3.4Å; T534-R537 PolarHBondContact O-N 3.21Å |
| 538 | R | 90.8 | Very high | 88.5 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 26% | 0.26 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -93.4 | -10.1 | 178.1 | -67.5 | -179.5 | 172.8 | 165.6 | -1.6 | 113.7 | T102 A103 E107 T534 A535 A536 T540 | T102-R538 VanDerWaalsContact CG2-O 3.3Å; T102-R538 WeakPolarHBondContact CG2-O 2.91Å; A103-R538 HydrophobicContact CB-CG 4.12Å; E107-R538 PolarHBondContact O-NH2 2.9Å; T534-R538 WeakPolarHBondContact O-CB 3.38Å; T534-R538 WeakPolarHBondContact O-CG 3.46Å; T534-R538 PolarHBondContact O-N 3.47Å; A535-R538 PolarHBondContact O-N 2.85Å; A536-R538 VanDerWaalsContact C-N 3.26Å; A536-R538 PolarHBondContact O-N 3.4Å; R538-T540 HydrophobicContact CB-CG2 3.84Å; R538-T540 PolarHBondContact O-N 3.38Å |
| 539 | K | 89 | Confident | 87.3 | Confident | 88 Ų | 88 | 43.2 Ų | 43.2 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 40.6 | -172.2 | -57.7 | 175.8 | -178.2 | 165.8 | 0 | 112.2 | A99 T102 A535 A536 | A99-K539 PolarHBondContact O-NZ 3Å; T102-K539 HydrophobicContact CG2-CD 4.48Å; T102-K539 HydrophobicContact CG2-CG 4.43Å; A535-K539 WeakPolarHBondContact O-CA 3.41Å; A535-K539 PolarHBondContact O-N 3.19Å; A536-K539 PolarHBondContact O-N 3.35Å; A536-K539 VanDerWaalsContact O-N 3.15Å |
| 540 | T | 90.5 | Very high | 85.9 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | trans | -106.8 | 168.1 | 179 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | H380 A535 R538 | H380-T540 VanDerWaalsContact CD2-C 3.47Å; A535-T540 PolarHBondContact O-N 3.35Å; R538-T540 HydrophobicContact CB-CG2 3.84Å; R538-T540 PolarHBondContact O-N 3.38Å | ||
| 541 | S | 89.8 | Confident | 84.3 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 156 | 167.1 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | H379 H380 | H379-S541 CarbonylContact O-C 3.54Å; H379-S541 WeakPolarHBondContact O-CA 3.35Å; H380-S541 PolarHBondContact NE2-N 2.97Å |
| 542 | L | 89.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 142.7 | 172.5 | -67.4 | 177.2 | 0 | 0 | 0 | 110.8 | H379 L381 H495 I499 I532 A535 M545 | H379-L542 PolarHBondContact O-N 2.9Å; L381-L542 HydrophobicContact CD2-CD1 4.37Å; L381-L542 HydrophobicContact CD2-CD2 4.21Å; H495-L542 HydrophobicContact CB-CB 4.31Å; H495-L542 HydrophobicContact CB-CD1 3.83Å; I499-L542 HydrophobicContact CD1-CD1 3.47Å; I499-L542 VanDerWaalsContact CD1-CD1 3.47Å; I499-L542 HydrophobicContact CD1-CG 4.34Å; I499-L542 HydrophobicContact CG1-CD1 3.71Å; I532-L542 HydrophobicContact CB-CD2 4.39Å; I532-L542 HydrophobicContact CG1-CD2 3.9Å; A535-L542 HydrophobicContact CB-CD2 3.72Å; L542-M545 HydrophobicContact CB-CG 4.26Å; L542-M545 HydrophobicContact CB-SD 3.84Å; L542-M545 HydrophobicContact CD1-SD 4.28Å |
| 543 | P | 86.1 | Confident | 80.9 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 151.4 | -178.7 | 29.2 | -34.1 | 0 | 0 | 0 | 111.7 | N531 M545 | N531-P543 HydrophobicContact CB-CG 3.76Å; P543-M545 PolarHBondContact O-N 3.36Å |
| 544 | G | 78.9 | Confident | 78.6 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 90% | 0.897 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -2.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 545 | M | 80 | Confident | 76.2 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | trans | -84.8 | 127.1 | 176.7 | -54.7 | -166.5 | 87.3 | 0 | 0 | 110.8 | T352 H379 H495 T496 I499 L542 P543 | T352-M545 HydrophobicContact CG2-CE 3.76Å; H379-M545 HydrophobicContact CB-CB 4.05Å; H379-M545 HydrophobicContact CB-CG 4.35Å; H379-M545 HydrophobicContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CG-SD 3.56Å; H379-M545 WeakPolarHBondContact ND1-CB 3.4Å; H495-M545 HydrophobicContact CB-CG 4.37Å; H495-M545 HydrophobicContact CB-SD 4.14Å; T496-M545 VanDerWaalsContact OG1-CE 3.3Å; T496-M545 WeakPolarHBondContact OG1-CE 3.47Å; I499-M545 HydrophobicContact CD1-CE 4.19Å; I499-M545 HydrophobicContact CD1-SD 3.83Å; L542-M545 HydrophobicContact CB-CG 4.26Å; L542-M545 HydrophobicContact CB-SD 3.84Å; L542-M545 HydrophobicContact CD1-SD 4.28Å; P543-M545 PolarHBondContact O-N 3.36Å | ||
| 546 | K | 76.3 | Confident | 73.6 | Confident | 65 Ų | 65 | 81.1 Ų | 81.1 | 28% | 0.283 | 44% | 0.444 | S | S | . | . | trans | -62.9 | 154.5 | 179 | -68.3 | -172.8 | -177 | 160.4 | 0 | 111.5 | F353 D355 H379 | F353-K546 HydrophobicContact CB-CB 4.2Å; D355-K546 WeakPolarHBondContact OD1-CD 3.38Å; D355-K546 WeakPolarHBondContact OD1-CE 3.11Å; D355-K546 IonicContact OD1-NZ 3.89Å; D355-K546 PolarHBondContact OD1-NZ 2.69Å; H379-K546 PolarHBondContact CE1-O 3.06Å; H379-K546 PolarHBondContact ND1-O 3.33Å | ||
| 547 | S | 70.5 | Confident | 71.1 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -129.5 | -4.1 | 179.4 | 55 | 0 | 0 | 0 | 0 | 114.7 | F353 | F353-S547 WeakPolarHBondContact CE2-O 3.16Å; F353-S547 WeakPolarHBondContact CZ-O 3.06Å | ||
| 548 | E | 72.1 | Confident | 68.6 | Low | 146 Ų | 146 | 94.5 Ų | 94.5 | 68% | 0.682 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -148 | 156.2 | -172.4 | -64.5 | -178.9 | -178.6 | 0 | 0 | 109 | Q550 | E548-Q550 PolarHBondContact O-N 3.11Š|
| 549 | I | 69.5 | Low | 66.2 | Low | 41 Ų | 41 | 96.4 Ų | 96.4 | 21% | 0.21 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 122.7 | 173 | -56.7 | 174.3 | 0 | 0 | 0 | 107.3 | L193 L367 | L193-I549 HydrophobicContact CD1-CD1 3.64Å; L193-I549 HydrophobicContact CD1-CG1 3.66Å; L367-I549 HydrophobicContact CD1-CG2 4.16Å; L367-I549 HydrophobicContact CD2-CG2 4.41Å |
| 550 | Q | 66.5 | Low | 64 | Low | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -86.7 | 131.6 | 170.6 | -68.8 | -178.4 | -9.7 | 0 | 0 | 108.9 | E548 | E548-Q550 PolarHBondContact O-N 3.11Š|
| 551 | E | 62.5 | Low | 61.5 | Low | 162 Ų | 162 | 110 Ų | 110 | 76% | 0.757 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 144.6 | 166.7 | -69.7 | -173.6 | 172.3 | 0 | 0 | 109.7 | K553 | E551-K553 PolarHBondContact O-N 3.21Š|
| 552 | P | 63.5 | Low | 60.1 | Low | 57 Ų | 57 | 112.7 Ų | 112.7 | 37% | 0.37 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 128 | 176.2 | 22 | -30.1 | 0 | 0 | 0 | 109 | E359 A554 | E359-P552 HydrophobicContact CG-CB 4.28Å; P552-A554 PolarHBondContact O-N 3.09Å |
| 553 | K | 56.7 | Low | 58.5 | Low | 184 Ų | 184 | 118.4 Ų | 118.4 | 80% | 0.8 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -60 | 128.8 | 174.1 | -68.5 | -177.8 | 179.4 | 179.3 | 0 | 107.6 | E551 K555 | E551-K553 PolarHBondContact O-N 3.21Å; K553-K555 PolarHBondContact O-N 3.25Å; K553-K555 VanDerWaalsContact O-N 3.09Å |
| 554 | A | 46.7 | Very low | 57 | Low | 91 Ų | 91 | 121.8 Ų | 121.8 | 75% | 0.752 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 123 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108 | P552 V556 | P552-A554 PolarHBondContact O-N 3.09Å; A554-V556 PolarHBondContact O-N 2.92Å |
| 555 | K | 44.4 | Very low | 55.7 | Low | 198 Ų | 198 | 123.8 Ų | 123.8 | 86% | 0.861 | 63% | 0.629 | S | S | * | * | trans | -59.6 | 113.5 | 172.8 | -75.2 | -176.6 | 177.5 | -178.3 | 0 | 105.8 | K553 E557 | K553-K555 PolarHBondContact O-N 3.25Å; K553-K555 VanDerWaalsContact O-N 3.09Å; K555-E557 VanDerWaalsContact C-N 3.25Å; K555-E557 PolarHBondContact O-N 2.98Å | ||
| 556 | V | 38.1 | Very low | 54.2 | Low | 124 Ų | 124 | 129.6 Ų | 129.6 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | trans | -64.9 | 99.9 | 164.4 | -179 | 0 | 0 | 0 | 0 | 104.1 | A554 N558 | A554-V556 PolarHBondContact O-N 2.92Å; V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 2.87Å | ||
| 557 | E | 39.4 | Very low | 52.7 | Low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | trans | -60.4 | 102.7 | 164.7 | -76 | -179.3 | 166.3 | 0 | 0 | 105.5 | K555 T559 | K555-E557 VanDerWaalsContact C-N 3.25Å; K555-E557 PolarHBondContact O-N 2.98Å; E557-T559 PolarHBondContact O-N 2.95Å; E557-T559 PolarHBondContact O-OG1 3.44Å | ||
| 558 | N | 40.4 | Very low | 51.4 | Low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -66.8 | 89 | 159.8 | -79.4 | -10.3 | 0 | 0 | 0 | 105.6 | V556 E560 | V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 2.87Å; N558-E560 PolarHBondContact O-N 3.17Å | ||
| 559 | T | 40.2 | Very low | 49.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -67.5 | 84.8 | 163.2 | -24.7 | 0 | 0 | 0 | 0 | 106.2 | E557 Q561 | E557-T559 PolarHBondContact O-N 2.95Å; E557-T559 PolarHBondContact O-OG1 3.44Å; T559-Q561 PolarHBondContact O-N 2.92Å | ||
| 560 | E | 43.1 | Very low | 48.2 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | -69.7 | 102.8 | 159.2 | -75 | -177.7 | 171.3 | 0 | 0 | 106.3 | N558 | N558-E560 PolarHBondContact O-N 3.17Š| ||
| 561 | Q | 37.2 | Very low | 46.6 | Very low | 252 Ų | 252 | 150.8 Ų | 150.8 | 100% | 1.178 | 77% | 0.771 | S | S | * | * | trans | -87.9 | 0 | 161.5 | -81.2 | -174 | -11.9 | 0 | 0 | 109.8 | T559 | T559-Q561 PolarHBondContact O-N 2.92Š|
Retrieved 561 of 561 residues in 1245.1 ms
(Link to these results)