| 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 | 41.3 | Very low | 35.9 | Very low | 234 Ų | 234 | 147.5 Ų | 147.5 | 100% | 1.153 | 81% | 0.814 | S | S | * | * | 0 | 62.3 | 0 | -57.8 | -80.7 | -175.9 | 0 | 0 | 107.1 | |||||
| 2 | S | 40.2 | Very low | 35.4 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | 61.9 | 122.2 | 95.7 | -54 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 3 | K | 39.8 | Very low | 35.4 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | cis | -170.3 | 115.2 | -14.3 | -111.9 | 177.8 | -174.5 | -176 | 0 | 104.4 | ||||
| 4 | S | 37.5 | Very low | 35.1 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | 52.6 | 121.1 | 116.7 | 58.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 5 | V | 34.2 | Very low | 35.3 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -68.9 | 168.7 | 156 | -143.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | P | 34.8 | Very low | 35.2 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | -157.8 | -177.5 | 72.4 | 37.2 | -11.9 | 0 | 0 | 0 | 117.2 | |||||
| 7 | A | 32.8 | Very low | 35.1 | Very low | 93 Ų | 93 | 151.5 Ų | 151.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -67.1 | 161.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 8 | F | 34.4 | Very low | 34.9 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -145.8 | 123.7 | 162.2 | -144.5 | -103.6 | 0 | 0 | 0 | 111.3 | ||||
| 9 | L | 31.2 | Very low | 34.7 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -81.3 | -177.2 | 161.9 | -75.8 | 163.7 | 0 | 0 | 0 | 110 | ||||
| 10 | Q | 35.5 | Very low | 34.5 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 84 | 143.5 | 174.5 | -77.6 | -179.3 | -49.2 | 0 | 0 | 116 | ||||
| 11 | D | 33.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 63% | 0.626 | 80% | 0.803 | S | S | * | * | cis | -166.4 | 172.5 | -7.6 | -135.1 | -30.2 | 0 | 0 | 0 | 107 | ||||
| 12 | E | 29.4 | Very low | 33.8 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -38.1 | 143 | 170.6 | -61.4 | 177.8 | 91.6 | 0 | 0 | 116.9 | ||||
| 13 | S | 36.1 | Very low | 33.5 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -172 | 120 | 130.1 | 26.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 14 | D | 31.5 | Very low | 33.2 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -63.9 | 125.6 | 161.5 | -173.9 | 27 | 0 | 0 | 0 | 109.4 | ||||
| 15 | D | 37 | Very low | 32.8 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -136.1 | 92.9 | 164.4 | -98.1 | -32.8 | 0 | 0 | 0 | 111.4 | ||||
| 16 | R | 34.9 | Very low | 32.9 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -18.4 | 138.9 | 146.1 | -61.3 | 173.6 | 177.6 | 165.3 | -0.2 | 115.8 | ||||
| 17 | E | 32.4 | Very low | 33.1 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | -139.5 | 89.1 | 126.9 | -91.8 | -173.8 | 167.8 | 0 | 0 | 108.6 | |||||
| 18 | T | 31.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -90 | 106.1 | 158.1 | 37.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 19 | D | 31.7 | Very low | 33.4 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -98.7 | 93.9 | 167.2 | -89 | -18.8 | 0 | 0 | 0 | 110 | ||||
| 20 | T | 29.7 | Very low | 33.5 | Very low | 129 Ų | 129 | 153.4 Ų | 153.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -94.4 | 110.5 | 154.2 | 42.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | A | 33.9 | Very low | 33.7 | Very low | 105 Ų | 105 | 157.3 Ų | 157.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -108.3 | 110.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 22 | S | 28.6 | Very low | 33.7 | Very low | 112 Ų | 112 | 161.1 Ų | 161.1 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -112.3 | 118.1 | 166.7 | -56.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 23 | E | 33 | Very low | 34.2 | Very low | 197 Ų | 197 | 162.3 Ų | 162.3 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -147.5 | 114.2 | 155.9 | -81.4 | -153 | 142.6 | 0 | 0 | 109.7 | ||||
| 24 | S | 34.3 | Very low | 34.2 | Very low | 123 Ų | 123 | 162.3 Ų | 162.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -172.7 | 100 | 134.5 | 38.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 25 | S | 29.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 162 Ų | 162 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -75.2 | 141.5 | 165.7 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 26 | Y | 36.5 | Very low | 34.6 | Very low | 210 Ų | 210 | 159.8 Ų | 159.8 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -167.5 | 123 | 139.4 | -81.6 | -56.7 | 0 | 0 | 0 | 111.2 | ||||
| 27 | Q | 37.9 | Very low | 34.7 | Very low | 151 Ų | 151 | 155.7 Ų | 155.7 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | 69.9 | 103.6 | 139.9 | -53.9 | -85.9 | -11.9 | 0 | 0 | 118.6 | ||||
| 28 | L | 36.8 | Very low | 34.9 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | 77.3 | 101.4 | 89.7 | -105.2 | 100.3 | 0 | 0 | 0 | 116.1 | |||||
| 29 | R | 37.1 | Very low | 35.1 | Very low | 234 Ų | 234 | 154.2 Ų | 154.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | 159.2 | 134.5 | 111.5 | -89.6 | -174.5 | 172.1 | -173 | -1.4 | 113.3 | |||||
| 30 | R | 33.8 | Very low | 35.1 | Very low | 229 Ų | 229 | 153.9 Ų | 153.9 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -62.4 | 152.1 | 171.4 | -70.1 | 168.3 | 178.1 | 159.1 | 0.7 | 112.1 | ||||
| 31 | Y | 38.8 | Very low | 35.3 | Very low | 239 Ų | 239 | 155.7 Ų | 155.7 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | -159.3 | 140.4 | 121.1 | -93.8 | -70.2 | 0 | 0 | 0 | 111.6 | |||||
| 32 | K | 34.7 | Very low | 35.1 | Very low | 197 Ų | 197 | 157 Ų | 157 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -92.4 | 161.2 | -174.7 | -78.1 | 178.7 | 169.6 | -179.8 | 0 | 112.9 | ||||
| 33 | K | 38.6 | Very low | 35.2 | Very low | 201 Ų | 201 | 156.8 Ų | 156.8 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 124.7 | 144.1 | 148.7 | -71.9 | 175 | 179.1 | -175 | 0 | 110.2 | ||||
| 34 | S | 36.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | cis | -175 | 165.5 | -16.4 | -87.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 35 | P | 38.3 | Very low | 35 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -105.7 | 154.2 | -144.4 | 38.5 | -30.5 | 0 | 0 | 0 | 116.4 | ||||
| 36 | S | 38.5 | Very low | 35.1 | Very low | 108 Ų | 108 | 151.2 Ų | 151.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -156.6 | 128.6 | 159.4 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 37 | S | 37.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | 70.1 | 116.8 | 139.4 | -47.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 38 | L | 35.3 | Very low | 35.1 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | 75.8 | 127.1 | 137.8 | -61.2 | 174.1 | 0 | 0 | 0 | 120.6 | ||||
| 39 | T | 36.2 | Very low | 35 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | 70.2 | 129.2 | 144.2 | 56.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 40 | N | 31.9 | Very low | 34.7 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | 59 | 123.4 | 151.3 | -61.2 | -27.8 | 0 | 0 | 0 | 117 | ||||
| 41 | L | 35.1 | Very low | 34.9 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -177.2 | 99.2 | 131.2 | -91.1 | 144.5 | 0 | 0 | 0 | 107.8 | S43 | L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 2.96Å | ||
| 42 | S | 29.4 | Very low | 34.8 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -65 | 92.1 | 159.1 | -58.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 43 | S | 29.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -91.7 | 100.1 | 164.2 | 62.2 | 0 | 0 | 0 | 0 | 108.7 | L41 | L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 2.96Å | ||
| 44 | S | 31.9 | Very low | 35.1 | Very low | 113 Ų | 113 | 115.5 Ų | 115.5 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -119.3 | 90 | 155.5 | 83.1 | 0 | 0 | 0 | 0 | 109.4 | G46 | S44-G46 PolarHBondContact O-N 2.77Š| ||
| 45 | S | 31.6 | Very low | 35.4 | Very low | 122 Ų | 122 | 111.8 Ų | 111.8 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -52.9 | 120.5 | 151.4 | 43.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 46 | G | 32.9 | Very low | 36 | Very low | 64 Ų | 64 | 106.4 Ų | 106.4 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | trans | -159.4 | 71.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | S44 | S44-G46 PolarHBondContact O-N 2.77Š| ||
| 47 | M | 43 | Very low | 36.9 | Very low | 173 Ų | 173 | 102.5 Ų | 102.5 | 85% | 0.852 | 66% | 0.658 | S | S | * | * | trans | 68.6 | 108.4 | 141.1 | -54.9 | 178.6 | 76.7 | 0 | 0 | 119.7 | S49 | M47-S49 PolarHBondContact O-N 2.89Å; M47-S49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | T | 30 | Very low | 37.6 | Very low | 126 Ų | 126 | 100.4 Ų | 100.4 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | -54.5 | 105 | 149.9 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | L50 | T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.35Å | ||
| 49 | S | 34.2 | Very low | 38.6 | Very low | 100 Ų | 100 | 94 Ų | 94 | 70% | 0.699 | 61% | 0.605 | S | S | * | * | trans | -79.9 | 79.7 | 175.7 | -41.4 | 0 | 0 | 0 | 0 | 110.8 | M47 S51 | M47-S49 PolarHBondContact O-N 2.89Å; M47-S49 VanDerWaalsContact O-N 3.13Å; S49-S51 PolarHBondContact O-N 3.11Å | ||
| 50 | L | 31.7 | Very low | 39.3 | Very low | 160 Ų | 160 | 88.7 Ų | 88.7 | 84% | 0.838 | 57% | 0.573 | S | S | * | * | trans | -57.3 | 113.5 | 146 | -69.9 | 162.3 | 0 | 0 | 0 | 107.3 | T48 | T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.35Å | ||
| 51 | S | 37.2 | Very low | 40.3 | Very low | 84 Ų | 84 | 84.7 Ų | 84.7 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | trans | -161.6 | 113.6 | 152.7 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | S49 A53 | S49-S51 PolarHBondContact O-N 3.11Å; S51-A53 PolarHBondContact O-N 3.28Å | ||
| 52 | S | 36.5 | Very low | 41 | Very low | 72 Ų | 72 | 78.2 Ų | 78.2 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 18.2 | 163.6 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | K124 | S52-K124 PolarHBondContact O-NZ 2.93Š|
| 53 | A | 38.2 | Very low | 41.8 | Very low | 87 Ų | 87 | 73.8 Ų | 73.8 | 72% | 0.719 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -8.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S51 | S51-A53 PolarHBondContact O-N 3.28Š|
| 54 | S | 41.4 | Very low | 42.9 | Very low | 51 Ų | 51 | 71.2 Ų | 71.2 | 36% | 0.357 | 47% | 0.469 | S | S | . | . | trans | -80.2 | 130.7 | 175.2 | -164.4 | 0 | 0 | 0 | 0 | 110.4 | S56 K124 | S54-S56 PolarHBondContact O-N 2.61Å; S54-K124 PolarHBondContact O-NZ 2.77Å | ||
| 55 | G | 45 | Very low | 44 | Very low | 33 Ų | 33 | 67 Ų | 67 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | trans | -63.1 | 5.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K124 | G55-K124 PolarHBondContact O-N 3.22Š| ||
| 56 | S | 50.4 | Low | 44.9 | Very low | 15 Ų | 15 | 63.1 Ų | 63.1 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | trans | -63.8 | 137.7 | -177.2 | -147.5 | 0 | 0 | 0 | 0 | 113.3 | S54 M58 Y114 R250 | S54-S56 PolarHBondContact O-N 2.61Å; S56-M58 PolarHBondContact O-N 3.43Å; S56-M58 VanDerWaalsContact OG-CG 3.28Å; S56-M58 WeakPolarHBondContact OG-CG 3.42Å; S56-Y114 WeakPolarHBondContact O-CE1 3.28Å; S56-Y114 PolarHBondContact O-OH 2.74Å; S56-R250 VanDerWaalsContact CB-NH2 3.32Å; S56-R250 PolarHBondContact OG-NH2 2.92Å | ||
| 57 | V | 56.2 | Low | 46.1 | Very low | 25 Ų | 25 | 67.4 Ų | 67.4 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 1.2 | 164.6 | -66.1 | 0 | 0 | 0 | 0 | 114 | S59 V60 Y61 Y114 L116 D118 | V57-S59 PolarHBondContact O-N 3.37Å; V57-S59 VanDerWaalsContact O-N 3.14Å; V57-V60 WeakPolarHBondContact O-CA 3.06Å; V57-V60 VanDerWaalsContact O-CB 3.31Å; V57-V60 WeakPolarHBondContact O-CB 3.29Å; V57-V60 PolarHBondContact O-N 3.19Å; V57-Y61 HydrophobicContact CB-CD2 3.91Å; V57-Y61 HydrophobicContact CB-CE2 3.6Å; V57-Y61 HydrophobicContact CG2-CD2 3.79Å; V57-Y61 HydrophobicContact CG2-CE2 3.49Å; V57-Y61 VanDerWaalsContact CG2-CE2 3.49Å; V57-Y61 WeakPolarHBondContact O-CD2 3.28Å; V57-Y61 PolarHBondContact O-N 2.84Å; V57-Y114 HydrophobicContact CB-CE1 4.49Å; V57-Y114 HydrophobicContact CG1-CD1 3.84Å; V57-Y114 HydrophobicContact CG1-CE1 4.16Å; V57-L116 HydrophobicContact CB-CD2 4.46Å; V57-L116 HydrophobicContact CG1-CD2 3.71Å; V57-D118 HydrophobicContact CG1-CB 3.88Å |
| 58 | M | 53.3 | Low | 47.6 | Very low | 61 Ų | 61 | 61 Ų | 61 | 30% | 0.3 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.3 | -31.6 | -178.6 | -73.6 | -64.7 | 112.1 | 0 | 0 | 113.1 | S56 V60 Y61 S62 | S56-M58 PolarHBondContact O-N 3.43Å; S56-M58 VanDerWaalsContact OG-CG 3.28Å; S56-M58 WeakPolarHBondContact OG-CG 3.42Å; M58-V60 VanDerWaalsContact C-N 3.27Å; M58-V60 PolarHBondContact O-N 2.8Å; M58-Y61 PolarHBondContact O-N 2.74Å; M58-S62 WeakPolarHBondContact O-CB 2.97Å; M58-S62 PolarHBondContact O-N 3.01Å; M58-S62 PolarHBondContact O-OG 2.88Å |
| 59 | S | 54.7 | Low | 50.2 | Low | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.4 | -19.6 | 175.7 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | V57 Y114 W161 | V57-S59 PolarHBondContact O-N 3.37Å; V57-S59 VanDerWaalsContact O-N 3.14Å; S59-Y114 PolarHBondContact OG-OH 2.87Å; S59-W161 VanDerWaalsContact O-CH2 3.31Å; S59-W161 WeakPolarHBondContact O-CH2 3.17Å; S59-W161 WeakPolarHBondContact O-CZ2 3.47Å |
| 60 | V | 51 | Low | 52.8 | Low | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75.2 | -39.6 | 171.9 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | V57 M58 Y114 L116 K200 | V57-V60 WeakPolarHBondContact O-CA 3.06Å; V57-V60 VanDerWaalsContact O-CB 3.31Å; V57-V60 WeakPolarHBondContact O-CB 3.29Å; V57-V60 PolarHBondContact O-N 3.19Å; M58-V60 VanDerWaalsContact C-N 3.27Å; M58-V60 PolarHBondContact O-N 2.8Å; V60-Y114 HydrophobicContact CG2-CD1 4.25Å; V60-Y114 HydrophobicContact CG2-CD2 3.26Å; V60-Y114 HydrophobicContact CG2-CE1 4.32Å; V60-Y114 HydrophobicContact CG2-CE2 3.37Å; V60-Y114 HydrophobicContact CG2-CG 3.72Å; V60-L116 HydrophobicContact CG1-CD1 4.13Å; V60-K200 WeakPolarHBondContact O-CD 3.38Å; V60-K200 WeakPolarHBondContact O-CE 3.23Å; V60-K200 PolarHBondContact O-NZ 3.46Å |
| 61 | Y | 54 | Low | 55.7 | Low | 61 Ų | 61 | 53.8 Ų | 53.8 | 24% | 0.239 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -92.3 | -10.2 | -177.6 | -61.1 | -70.2 | 0 | 0 | 0 | 115.1 | V57 M58 G63 M368 | V57-Y61 HydrophobicContact CB-CD2 3.91Å; V57-Y61 HydrophobicContact CB-CE2 3.6Å; V57-Y61 HydrophobicContact CG2-CD2 3.79Å; V57-Y61 HydrophobicContact CG2-CE2 3.49Å; V57-Y61 VanDerWaalsContact CG2-CE2 3.49Å; V57-Y61 WeakPolarHBondContact O-CD2 3.28Å; V57-Y61 PolarHBondContact O-N 2.84Å; M58-Y61 PolarHBondContact O-N 2.74Å; Y61-G63 PolarHBondContact O-N 3.31Å; Y61-M368 HydrophobicContact CG-CE 4.29Å |
| 62 | S | 50.2 | Low | 58.5 | Low | 30 Ų | 30 | 50.7 Ų | 50.7 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | trans | -74.6 | 95.8 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 109.2 | M58 D64 F65 R168 | M58-S62 WeakPolarHBondContact O-CB 2.97Å; M58-S62 PolarHBondContact O-N 3.01Å; M58-S62 PolarHBondContact O-OG 2.88Å; S62-D64 PolarHBondContact O-N 3.3Å; S62-F65 WeakPolarHBondContact O-CE2 3.08Å; S62-F65 WeakPolarHBondContact O-CZ 3.31Å; S62-R168 PolarHBondContact OG-NH2 3.02Å | ||
| 63 | G | 45.5 | Very low | 61.4 | Low | 41 Ų | 41 | 49 Ų | 49 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | trans | -58.1 | 11.3 | -179 | 0 | 0 | 0 | 0 | 0 | 117.9 | Y61 F65 | Y61-G63 PolarHBondContact O-N 3.31Å; G63-F65 PolarHBondContact O-N 3.3Å | ||
| 64 | D | 51.7 | Low | 64.3 | Low | 54 Ų | 54 | 44.8 Ų | 44.8 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | trans | -100 | 71.6 | -178 | -175.4 | 27.8 | 0 | 0 | 0 | 110.1 | S62 G66 R168 K373 | S62-D64 PolarHBondContact O-N 3.3Å; D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 PolarHBondContact O-N 3.47Å; D64-R168 IonicContact OD2-CZ 2.94Å; D64-R168 IonicContact OD2-NE 3.34Å; D64-R168 IonicContact OD2-NH1 2.74Å; D64-R168 PolarHBondContact OD2-NH1 3.44Å; D64-K373 WeakPolarHBondContact OD1-CE 3.25Å; D64-K373 IonicContact OD1-NZ 3.89Å; D64-K373 PolarHBondContact OD1-NZ 3.27Å | ||
| 65 | F | 55 | Low | 67 | Low | 25 Ų | 25 | 43.7 Ų | 43.7 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | trans | -87.6 | 9.3 | -178.9 | -60.7 | -65.8 | 0 | 0 | 0 | 113.7 | S62 G63 W161 F171 K200 | S62-F65 WeakPolarHBondContact O-CE2 3.08Å; S62-F65 WeakPolarHBondContact O-CZ 3.31Å; G63-F65 PolarHBondContact O-N 3.3Å; F65-W161 HydrophobicContact CD1-CH2 4.09Å; F65-W161 AromaticContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CZ2 4.21Å; F65-F171 HydrophobicContact CB-CB 3.76Å; F65-F171 HydrophobicContact CB-CD1 3.69Å; F65-F171 HydrophobicContact CB-CE1 4.45Å; F65-F171 HydrophobicContact CB-CG 3.91Å; F65-F171 HydrophobicContact CD1-CB 3.45Å; F65-F171 VanDerWaalsContact CD1-CB 3.45Å; F65-F171 AromaticContact CD1-CD1 3.81Å; F65-F171 HydrophobicContact CD1-CD1 3.81Å; F65-F171 AromaticContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CE1 4.34Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CZ 4.45Å; F65-F171 HydrophobicContact CE1-CB 4.5Å; F65-F171 AromaticContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CE2 4.23Å; F65-F171 HydrophobicContact CE1-CG 4.2Å; F65-F171 HydrophobicContact CG-CB 4.05Å; F65-F171 AromaticContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD2 4.42Å; F65-F171 HydrophobicContact CG-CE1 4.4Å; F65-F171 AromaticContact CG-CG 3.91Å; F65-F171 HydrophobicContact CG-CG 3.91Å; F65-K200 HydrophobicContact CD2-CB 3.82Å; F65-K200 HydrophobicContact CD2-CD 4.01Å; F65-K200 HydrophobicContact CD2-CG 4.31Å; F65-K200 HydrophobicContact CE1-CD 4.08Å; F65-K200 HydrophobicContact CE2-CB 3.78Å; F65-K200 HydrophobicContact CE2-CD 3.07Å; F65-K200 HydrophobicContact CE2-CG 3.79Å; F65-K200 HydrophobicContact CG-CB 4.37Å; F65-K200 HydrophobicContact CZ-CB 4.26Å; F65-K200 HydrophobicContact CZ-CD 3.12Å; F65-K200 HydrophobicContact CZ-CG 4.22Å | ||
| 66 | G | 50.4 | Low | 69.5 | Low | 39 Ų | 39 | 42.1 Ų | 42.1 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | trans | 65.7 | 156.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D64 L68 | D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 PolarHBondContact O-N 3.47Å; G66-L68 PolarHBondContact O-N 2.79Å | ||
| 67 | N | 58.4 | Low | 71.6 | Confident | 155 Ų | 155 | 41.9 Ų | 41.9 | 83% | 0.829 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -75.7 | 22.8 | 177.3 | -71.9 | 6.8 | 0 | 0 | 0 | 112.8 | ||
| 68 | L | 74.4 | Confident | 73.4 | Confident | 38 Ų | 38 | 40.9 Ų | 40.9 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | trans | -73.6 | 135.2 | -178 | -162.4 | 71.9 | 0 | 0 | 0 | 109.7 | G66 V70 A98 A99 L172 R199 | G66-L68 PolarHBondContact O-N 2.79Å; L68-V70 PolarHBondContact O-N 3.06Å; L68-A98 HydrophobicContact CD2-CB 3.51Å; L68-A98 HydrophobicContact CG-CB 3.91Å; L68-A99 WeakPolarHBondContact CD1-O 3.48Å; L68-L172 HydrophobicContact CD2-CD2 3.39Å; L68-R199 PolarHBondContact O-NE 3.06Å | ||
| 69 | E | 84.2 | Confident | 75.3 | Confident | 110 Ų | 110 | 40.7 Ų | 40.7 | 51% | 0.514 | 24% | 0.235 | S | C | . | . | trans | -71.7 | 110.2 | 171.1 | -161.2 | -170.6 | 168.8 | 0 | 0 | 109.6 | K71 A98 R199 | E69-K71 VanDerWaalsContact CD-NZ 3.3Å; E69-K71 PolarHBondContact O-N 3.31Å; E69-K71 WeakPolarHBondContact OE1-CE 3.23Å; E69-K71 IonicContact OE1-NZ 3.03Å; E69-K71 PolarHBondContact OE1-NZ 3.3Å; E69-K71 WeakPolarHBondContact OE2-CE 3.37Å; E69-K71 IonicContact OE2-NZ 3.64Å; E69-K71 PolarHBondContact OE2-NZ 3.45Å; E69-A98 WeakPolarHBondContact O-CB 3.37Å; E69-R199 VanDerWaalsContact CA-NH2 3.34Å | ||
| 70 | V | 89.6 | Confident | 77.1 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | trans | -67.3 | 128.7 | 177.9 | 166.5 | 0 | 0 | 0 | 0 | 109.1 | L68 F171 L172 L197 R199 | L68-V70 PolarHBondContact O-N 3.06Å; V70-F171 HydrophobicContact CG2-CD1 4.25Å; V70-F171 HydrophobicContact CG2-CE1 4.13Å; V70-L172 WeakPolarHBondContact CG1-O 3.43Å; V70-L197 HydrophobicContact CG1-CB 3.91Å; V70-R199 HydrophobicContact CB-CG 3.63Å; V70-R199 HydrophobicContact CG2-CB 4.37Å; V70-R199 HydrophobicContact CG2-CG 3.55Å | ||
| 71 | K | 92 | Very high | 79.1 | Confident | 103 Ų | 103 | 41.9 Ų | 41.9 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | trans | -144.1 | 163.9 | 178.3 | -64.7 | -172.4 | -174.9 | 175.8 | 0 | 109.9 | E69 D96 | E69-K71 VanDerWaalsContact CD-NZ 3.3Å; E69-K71 PolarHBondContact O-N 3.31Å; E69-K71 WeakPolarHBondContact OE1-CE 3.23Å; E69-K71 IonicContact OE1-NZ 3.03Å; E69-K71 PolarHBondContact OE1-NZ 3.3Å; E69-K71 WeakPolarHBondContact OE2-CE 3.37Å; E69-K71 IonicContact OE2-NZ 3.64Å; E69-K71 PolarHBondContact OE2-NZ 3.45Å; K71-D96 CarbonylContact C-O 3.51Å | ||
| 72 | G | 96.3 | Very high | 81 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | trans | 91.4 | -174.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K95 D96 L197 | G72-K95 CarbonylContact C-O 3.43Å; G72-K95 WeakPolarHBondContact CA-O 3.36Å; G72-D96 WeakPolarHBondContact CA-O 3.37Å; G72-D96 PolarHBondContact N-O 2.82Å; G72-L197 WeakPolarHBondContact O-CB 3.38Å; G72-L197 PolarHBondContact O-N 3.13Å | ||
| 73 | S | 97.9 | Very high | 83.1 | Confident | 36 Ų | 36 | 48 Ų | 48 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.5 | -174.3 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | C94 K95 Y195 | S73-C94 CarbonylContact O-C 3.54Å; S73-C94 VanDerWaalsContact O-CA 3.26Å; S73-C94 WeakPolarHBondContact O-CA 3.4Å; S73-C94 WeakPolarHBondContact O-CB 3.2Å; S73-K95 PolarHBondContact N-O 2.84Å; S73-K95 PolarHBondContact O-N 3.19Å; S73-Y195 CarbonylContact C-O 3.54Å; S73-Y195 WeakPolarHBondContact CA-O 3.21Å; S73-Y195 WeakPolarHBondContact CB-O 3.29Å |
| 74 | V | 98.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.8 | 173 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | F76 L158 V175 Y195 L197 | V74-F76 HydrophobicContact CG1-CD1 4.06Å; V74-F76 HydrophobicContact CG1-CE1 4.13Å; V74-F76 HydrophobicContact CG2-CD1 4.28Å; V74-L158 HydrophobicContact CB-CD2 4.49Å; V74-L158 HydrophobicContact CG1-CD2 3.92Å; V74-L158 HydrophobicContact CG2-CD2 4.09Å; V74-V175 HydrophobicContact CG1-CG2 3.74Å; V74-Y195 PolarHBondContact N-O 2.98Å; V74-Y195 PolarHBondContact O-N 2.84Å; V74-L197 HydrophobicContact CB-CD2 4.25Å; V74-L197 HydrophobicContact CG1-CD2 3.81Å |
| 75 | Q | 98 | Very high | 87.5 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.2 | 175.4 | -161.8 | -175.4 | 25.7 | 0 | 0 | 109.9 | A92 Q93 L192 K193 W194 | Q75-A92 HydrophobicContact CB-CB 4.39Å; Q75-A92 PolarHBondContact O-N 3.28Å; Q75-Q93 HydrophobicContact CB-CG 3.98Å; Q75-Q93 PolarHBondContact N-O 2.97Å; Q75-Q93 PolarHBondContact O-N 2.95Å; Q75-L192 HydrophobicContact CG-CB 4Å; Q75-L192 HydrophobicContact CG-CD2 4.32Å; Q75-K193 VanDerWaalsContact CA-O 3.29Å; Q75-K193 WeakPolarHBondContact CA-O 3.44Å; Q75-W194 HydrophobicContact CB-CD2 3.73Å; Q75-W194 HydrophobicContact CB-CE3 3.67Å; Q75-W194 HydrophobicContact CB-CG 4.43Å; Q75-W194 HydrophobicContact CB-CH2 3.9Å; Q75-W194 HydrophobicContact CB-CZ2 3.95Å; Q75-W194 HydrophobicContact CB-CZ3 3.76Å; Q75-W194 HydrophobicContact CG-CD2 3.97Å; Q75-W194 HydrophobicContact CG-CE3 4.42Å; Q75-W194 HydrophobicContact CG-CG 4.26Å; Q75-W194 HydrophobicContact CG-CZ2 4.3Å |
| 76 | F | 97.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 167 | 175.9 | 69.7 | -85.1 | 0 | 0 | 0 | 111.9 | V74 L78 V89 F90 L156 L158 V175 L177 K193 Y195 | V74-F76 HydrophobicContact CG1-CD1 4.06Å; V74-F76 HydrophobicContact CG1-CE1 4.13Å; V74-F76 HydrophobicContact CG2-CD1 4.28Å; F76-L78 HydrophobicContact CD2-CD2 4.03Å; F76-L78 HydrophobicContact CD2-CG 4.31Å; F76-L78 HydrophobicContact CE2-CD1 4.45Å; F76-L78 HydrophobicContact CE2-CD2 4.02Å; F76-L78 HydrophobicContact CE2-CG 4.1Å; F76-V89 HydrophobicContact CD2-CG1 4.32Å; F76-F90 CarbonylContact C-O 3.51Å; F76-F90 WeakPolarHBondContact CA-O 3.39Å; F76-F90 WeakPolarHBondContact CB-O 3.15Å; F76-L156 HydrophobicContact CE2-CD2 4.24Å; F76-L158 HydrophobicContact CB-CD1 4.39Å; F76-L158 HydrophobicContact CD1-CD1 3.74Å; F76-L158 HydrophobicContact CD2-CD1 4.14Å; F76-L158 HydrophobicContact CE1-CD1 3.91Å; F76-L158 HydrophobicContact CE2-CD1 4.32Å; F76-L158 HydrophobicContact CG-CD1 3.84Å; F76-L158 HydrophobicContact CZ-CD1 4.2Å; F76-V175 HydrophobicContact CE1-CB 4.46Å; F76-V175 HydrophobicContact CE1-CG1 4.24Å; F76-V175 HydrophobicContact CZ-CG1 4.21Å; F76-L177 HydrophobicContact CE2-CD1 3.65Å; F76-L177 HydrophobicContact CZ-CD1 3.57Å; F76-L177 HydrophobicContact CZ-CG 4.32Å; F76-K193 PolarHBondContact N-O 2.97Å; F76-K193 VanDerWaalsContact N-O 3.09Å; F76-K193 PolarHBondContact O-N 3.23Å; F76-Y195 AromaticContact CD1-CD2 3.55Å; F76-Y195 HydrophobicContact CD1-CD2 3.55Å; F76-Y195 AromaticContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CG 4.42Å; F76-Y195 HydrophobicContact CE1-CD1 4.44Å; F76-Y195 AromaticContact CE1-CD2 3.11Å; F76-Y195 HydrophobicContact CE1-CD2 3.11Å; F76-Y195 AromaticContact CE1-CE2 3.54Å; F76-Y195 HydrophobicContact CE1-CE2 3.54Å; F76-Y195 AromaticContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE2-CE2 4.14Å; F76-Y195 HydrophobicContact CG-CD2 4.43Å; F76-Y195 HydrophobicContact CG-CE2 4.41Å; F76-Y195 AromaticContact CZ-CD2 3.68Å; F76-Y195 HydrophobicContact CZ-CD2 3.68Å; F76-Y195 AromaticContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CG 4.14Å |
| 77 | A | 94.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F90 L192 | A77-F90 PolarHBondContact N-O 2.96Å; A77-F90 PolarHBondContact O-N 2.82Å; A77-L192 HydrophobicContact CB-CD2 4.05Å |
| 78 | L | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.9 | 175.6 | -58.3 | -177.4 | 0 | 0 | 0 | 109.4 | F76 V89 L156 L177 L179 W182 W184 | F76-L78 HydrophobicContact CD2-CD2 4.03Å; F76-L78 HydrophobicContact CD2-CG 4.31Å; F76-L78 HydrophobicContact CE2-CD1 4.45Å; F76-L78 HydrophobicContact CE2-CD2 4.02Å; F76-L78 HydrophobicContact CE2-CG 4.1Å; L78-V89 HydrophobicContact CD2-CB 4.06Å; L78-V89 HydrophobicContact CD2-CG1 3.76Å; L78-V89 HydrophobicContact CD2-CG2 3.78Å; L78-L156 HydrophobicContact CD1-CD2 3.91Å; L78-L156 HydrophobicContact CD2-CD2 3.53Å; L78-L156 HydrophobicContact CG-CD2 4.34Å; L78-L177 HydrophobicContact CD1-CD1 3.86Å; L78-L179 HydrophobicContact CD1-CD2 4.05Å; L78-W182 HydrophobicContact CB-CZ2 4.34Å; L78-W182 HydrophobicContact CD1-CD2 4.35Å; L78-W182 HydrophobicContact CD1-CZ2 4.14Å; L78-W182 HydrophobicContact CG-CZ2 4.42Å; L78-W184 HydrophobicContact CB-CZ3 4.42Å |
| 79 | D | 92.5 | Very high | 94.2 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.2 | 167.4 | -163.5 | 22.1 | 0 | 0 | 0 | 109.9 | H88 K190 | D79-H88 PolarHBondContact N-O 2.91Å; D79-H88 VanDerWaalsContact N-O 3.08Å; D79-H88 PolarHBondContact O-N 2.86Å; D79-K190 WeakPolarHBondContact OD1-CE 3.27Å; D79-K190 IonicContact OD1-NZ 2.77Å; D79-K190 PolarHBondContact OD1-NZ 2.84Å |
| 80 | Y | 93.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.1 | 175.1 | -177.1 | -94.9 | 0 | 0 | 0 | 108.9 | E82 K85 E86 L87 I146 R148 L151 | Y80-E82 HydrophobicContact CE1-CB 4.49Å; Y80-E82 VanDerWaalsContact CE1-OE2 3.3Å; Y80-E82 WeakPolarHBondContact CE1-OE2 3.17Å; Y80-E82 PolarHBondContact O-N 2.81Å; Y80-K85 WeakPolarHBondContact OH-CA 3.27Å; Y80-E86 WeakPolarHBondContact CD2-O 3.42Å; Y80-L87 HydrophobicContact CD2-CB 4.37Å; Y80-I146 HydrophobicContact CE2-CG2 4.49Å; Y80-I146 VanDerWaalsContact CE2-O 3.23Å; Y80-I146 WeakPolarHBondContact CE2-O 3.2Å; Y80-I146 PolarHBondContact OH-O 2.84Å; Y80-I146 VanDerWaalsContact OH-O 3.07Å; Y80-R148 HydrophobicContact CD1-CB 4.42Å; Y80-R148 HydrophobicContact CD1-CG 4.21Å; Y80-R148 HydrophobicContact CE1-CB 3.73Å; Y80-R148 HydrophobicContact CE1-CG 4.01Å; Y80-R148 PolarHBondContact OH-N 2.84Å; Y80-L151 HydrophobicContact CD2-CD2 3.53Å; Y80-L151 HydrophobicContact CE2-CD2 4.11Å; Y80-L151 HydrophobicContact CG-CD2 4.06Å |
| 81 | V | 92.5 | Very high | 95.2 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 96.2 | -177.4 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | S83 L84 K85 E86 | V81-S83 VanDerWaalsContact C-N 3.31Å; V81-S83 PolarHBondContact O-N 2.81Å; V81-L84 HydrophobicContact CB-CB 4.41Å; V81-L84 HydrophobicContact CG1-CB 4.14Å; V81-L84 HydrophobicContact CG1-CD1 3.96Å; V81-L84 HydrophobicContact CG1-CG 3.91Å; V81-L84 PolarHBondContact O-N 3.16Å; V81-L84 VanDerWaalsContact O-N 3.1Å; V81-K85 PolarHBondContact O-N 3.02Å; V81-E86 PolarHBondContact N-O 3.44Å; V81-E86 PolarHBondContact O-N 2.82Å |
| 82 | E | 92.6 | Very high | 95.5 | Very high | 109 Ų | 109 | 34.9 Ų | 34.9 | 51% | 0.509 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -56.6 | -41.7 | -173.3 | -162.5 | 66.3 | -120.7 | 0 | 0 | 112.9 | Y80 L84 K85 R148 | Y80-E82 HydrophobicContact CE1-CB 4.49Å; Y80-E82 VanDerWaalsContact CE1-OE2 3.3Å; Y80-E82 WeakPolarHBondContact CE1-OE2 3.17Å; Y80-E82 PolarHBondContact O-N 2.81Å; E82-L84 PolarHBondContact O-N 3.09Å; E82-K85 PolarHBondContact O-N 2.83Å; E82-K85 VanDerWaalsContact O-N 3.17Å; E82-R148 WeakPolarHBondContact OE2-CD 3.04Å; E82-R148 IonicContact OE2-NE 3.73Å |
| 83 | S | 95.1 | Very high | 95.6 | Very high | 110 Ų | 110 | 37 Ų | 37 | 77% | 0.769 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -63.4 | -27 | -179.3 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | V81 | V81-S83 VanDerWaalsContact C-N 3.31Å; V81-S83 PolarHBondContact O-N 2.81Å |
| 84 | L | 94.7 | Very high | 95.6 | Very high | 90 Ų | 90 | 35.4 Ų | 35.4 | 47% | 0.471 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -99.5 | -11.7 | 179.4 | -62.4 | -179.2 | 0 | 0 | 0 | 112.7 | V81 E82 E86 | V81-L84 HydrophobicContact CB-CB 4.41Å; V81-L84 HydrophobicContact CG1-CB 4.14Å; V81-L84 HydrophobicContact CG1-CD1 3.96Å; V81-L84 HydrophobicContact CG1-CG 3.91Å; V81-L84 PolarHBondContact O-N 3.16Å; V81-L84 VanDerWaalsContact O-N 3.1Å; E82-L84 PolarHBondContact O-N 3.09Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 HydrophobicContact CB-CB 4.11Å; L84-E86 HydrophobicContact CB-CG 3.95Å |
| 85 | K | 94 | Very high | 95.6 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 46% | 0.457 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 49.1 | -167.1 | -59 | -179.6 | 169.3 | -167.2 | 0 | 111.7 | Y80 V81 E82 I146 E147 | Y80-K85 WeakPolarHBondContact OH-CA 3.27Å; V81-K85 PolarHBondContact O-N 3.02Å; E82-K85 PolarHBondContact O-N 2.83Å; E82-K85 VanDerWaalsContact O-N 3.17Å; K85-I146 CarbonylContact C-O 3.54Å; K85-I146 PolarHBondContact O-N 3.44Å; K85-E147 HydrophobicContact CD-CG 4.35Å; K85-E147 IonicContact NZ-OE1 3.38Å; K85-E147 PolarHBondContact NZ-OE1 3.11Å |
| 86 | E | 94.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135 | -175.8 | -72.7 | -179.3 | 171.5 | 0 | 0 | 112.5 | Y80 V81 L84 H88 Y144 K145 | Y80-E86 WeakPolarHBondContact CD2-O 3.42Å; V81-E86 PolarHBondContact N-O 3.44Å; V81-E86 PolarHBondContact O-N 2.82Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 HydrophobicContact CB-CB 4.11Å; L84-E86 HydrophobicContact CB-CG 3.95Å; E86-H88 IonicContact OE2-CD2 2.79Å; E86-H88 IonicContact OE2-CE1 2.83Å; E86-H88 IonicContact OE2-NE2 3.77Å; E86-H88 PolarHBondContact OE2-NE2 2.91Å; E86-Y144 CarbonylContact C-O 3.47Å; E86-Y144 WeakPolarHBondContact CA-O 3.48Å; E86-K145 HydrophobicContact CG-CG 3.87Å; E86-K145 VanDerWaalsContact OE1-CE 3.31Å; E86-K145 WeakPolarHBondContact OE1-CE 3.33Å |
| 87 | L | 94 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.6 | 159.7 | 172.8 | 72.5 | 0 | 0 | 0 | 108.9 | Y80 V89 L115 R143 Y144 I146 L151 L179 W184 | Y80-L87 HydrophobicContact CD2-CB 4.37Å; L87-V89 HydrophobicContact CD2-CG2 4.03Å; L87-V89 HydrophobicContact CG-CG2 4.17Å; L87-L115 HydrophobicContact CD2-CD1 4.31Å; L87-L115 HydrophobicContact CD2-CD2 3.8Å; L87-R143 WeakPolarHBondContact O-CA 3.28Å; L87-Y144 HydrophobicContact CD2-CD2 4.26Å; L87-Y144 PolarHBondContact N-O 3.17Å; L87-Y144 PolarHBondContact O-N 3.08Å; L87-I146 HydrophobicContact CB-CG2 4.06Å; L87-L151 HydrophobicContact CB-CD1 4.05Å; L87-L151 HydrophobicContact CD1-CD1 4.32Å; L87-L151 HydrophobicContact CD2-CD1 3.93Å; L87-L151 HydrophobicContact CG-CD1 4.31Å; L87-L179 HydrophobicContact CD2-CD1 4.29Å; L87-W184 HydrophobicContact CD1-CH2 3.51Å; L87-W184 HydrophobicContact CD1-CZ3 3.72Å |
| 88 | H | 95.2 | Very high | 95.5 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.1 | 173.8 | -73.8 | -159.5 | 0 | 0 | 0 | 109.1 | D79 E86 I141 | D79-H88 PolarHBondContact N-O 2.91Å; D79-H88 VanDerWaalsContact N-O 3.08Å; D79-H88 PolarHBondContact O-N 2.86Å; E86-H88 IonicContact OE2-CD2 2.79Å; E86-H88 IonicContact OE2-CE1 2.83Å; E86-H88 IonicContact OE2-NE2 3.77Å; E86-H88 PolarHBondContact OE2-NE2 2.91Å; H88-I141 HydrophobicContact CB-CG2 3.77Å |
| 89 | V | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 102 | 172.6 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | F76 L78 L87 V91 T113 L142 Y144 L156 L158 | F76-V89 HydrophobicContact CD2-CG1 4.32Å; L78-V89 HydrophobicContact CD2-CB 4.06Å; L78-V89 HydrophobicContact CD2-CG1 3.76Å; L78-V89 HydrophobicContact CD2-CG2 3.78Å; L87-V89 HydrophobicContact CD2-CG2 4.03Å; L87-V89 HydrophobicContact CG-CG2 4.17Å; V89-V91 HydrophobicContact CG1-CG2 4.19Å; V89-V91 PolarHBondContact O-N 2.81Å; V89-T113 HydrophobicContact CG1-CG2 4.2Å; V89-L142 HydrophobicContact CB-CB 4.3Å; V89-L142 PolarHBondContact N-O 2.86Å; V89-L142 PolarHBondContact O-N 2.93Å; V89-Y144 HydrophobicContact CG2-CD2 4.34Å; V89-Y144 HydrophobicContact CG2-CE2 4.28Å; V89-L156 HydrophobicContact CG1-CD2 4.38Å; V89-L156 HydrophobicContact CG2-CD1 4.18Å; V89-L156 HydrophobicContact CG2-CD2 4.3Å; V89-L158 HydrophobicContact CG1-CD1 4.39Å |
| 90 | F | 96.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 106 | 178.8 | 178 | -132 | 0 | 0 | 0 | 110.1 | F76 A77 A92 N139 I141 L192 | F76-F90 CarbonylContact C-O 3.51Å; F76-F90 WeakPolarHBondContact CA-O 3.39Å; F76-F90 WeakPolarHBondContact CB-O 3.15Å; A77-F90 PolarHBondContact N-O 2.96Å; A77-F90 PolarHBondContact O-N 2.82Å; F90-A92 HydrophobicContact CE1-CB 4.38Å; F90-A92 HydrophobicContact CZ-CB 4.5Å; F90-N139 HydrophobicContact CE2-CB 4.37Å; F90-I141 HydrophobicContact CB-CG1 4.32Å; F90-I141 HydrophobicContact CD2-CG1 3.7Å; F90-I141 HydrophobicContact CE2-CG1 4.5Å; F90-I141 HydrophobicContact CG-CG1 4.37Å; F90-L192 HydrophobicContact CD1-CD2 3.61Å; F90-L192 HydrophobicContact CD1-CG 4.26Å; F90-L192 HydrophobicContact CE1-CD1 4.01Å; F90-L192 HydrophobicContact CE1-CD2 3.78Å; F90-L192 HydrophobicContact CE1-CG 4.15Å |
| 91 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 107.7 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | V89 V111 T127 Y138 N139 E140 L142 L158 | V89-V91 HydrophobicContact CG1-CG2 4.19Å; V89-V91 PolarHBondContact O-N 2.81Å; V91-V111 HydrophobicContact CG1-CB 4.15Å; V91-V111 HydrophobicContact CG1-CG1 4.3Å; V91-V111 HydrophobicContact CG1-CG2 3.83Å; V91-V111 HydrophobicContact CG2-CG1 4.33Å; V91-T127 HydrophobicContact CB-CG2 4.11Å; V91-T127 HydrophobicContact CG1-CG2 4.14Å; V91-T127 HydrophobicContact CG2-CG2 4.35Å; V91-Y138 HydrophobicContact CG1-CD2 3.86Å; V91-Y138 HydrophobicContact CG1-CE2 4.46Å; V91-Y138 HydrophobicContact CG1-CG 4.45Å; V91-N139 WeakPolarHBondContact O-CA 3.23Å; V91-N139 PolarHBondContact O-N 2.99Å; V91-N139 VanDerWaalsContact O-N 3.15Å; V91-E140 PolarHBondContact N-O 2.83Å; V91-E140 PolarHBondContact O-N 3.38Å; V91-E140 VanDerWaalsContact O-N 3.08Å; V91-L142 HydrophobicContact CG2-CD1 4.1Å; V91-L142 HydrophobicContact CG2-CG 4.39Å; V91-L158 HydrophobicContact CG2-CD1 4.39Å |
| 92 | A | 97.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -64.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q75 F90 Y138 N139 L192 | Q75-A92 HydrophobicContact CB-CB 4.39Å; Q75-A92 PolarHBondContact O-N 3.28Å; F90-A92 HydrophobicContact CE1-CB 4.38Å; F90-A92 HydrophobicContact CZ-CB 4.5Å; A92-Y138 PolarHBondContact O-N 3.32Å; A92-N139 PolarHBondContact O-N 2.95Å; A92-N139 VanDerWaalsContact O-N 3.08Å; A92-L192 HydrophobicContact CB-CD1 3.92Å; A92-L192 HydrophobicContact CB-CD2 3.62Å; A92-L192 HydrophobicContact CB-CG 4.43Å |
| 93 | Q | 98.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 165 | -171.6 | 55 | -178.8 | -2.3 | 0 | 0 | 112.2 | Q75 P136 V137 W194 | Q75-Q93 HydrophobicContact CB-CG 3.98Å; Q75-Q93 PolarHBondContact N-O 2.97Å; Q75-Q93 PolarHBondContact O-N 2.95Å; Q93-P136 CarbonylContact C-O 3.53Å; Q93-P136 WeakPolarHBondContact CA-O 3.39Å; Q93-P136 VanDerWaalsContact CB-O 3.28Å; Q93-P136 WeakPolarHBondContact CB-O 3.26Å; Q93-V137 HydrophobicContact CB-CB 4.48Å; Q93-V137 HydrophobicContact CB-CG2 4.16Å; Q93-W194 HydrophobicContact CG-CH2 3.7Å; Q93-W194 HydrophobicContact CG-CZ2 4.1Å; Q93-W194 VanDerWaalsContact NE2-CZ2 3.35Å |
| 94 | C | 98.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 160.8 | 164.4 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | S73 L97 N135 P136 | S73-C94 CarbonylContact O-C 3.54Å; S73-C94 VanDerWaalsContact O-CA 3.26Å; S73-C94 WeakPolarHBondContact O-CA 3.4Å; S73-C94 WeakPolarHBondContact O-CB 3.2Å; C94-L97 HydrophobicContact CB-CD1 3.76Å; C94-L97 HydrophobicContact CB-CD2 3.75Å; C94-L97 HydrophobicContact CB-CG 3.77Å; C94-N135 CarbonylContact O-C 3.49Å; C94-N135 VanDerWaalsContact O-CA 3.3Å; C94-N135 WeakPolarHBondContact O-CA 3.47Å; C94-P136 HydrophobicContact CB-CG 3.75Å; C94-P136 PolarHBondContact N-O 2.92Å |
| 95 | K | 97.9 | Very high | 94.2 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 47% | 0.47 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.7 | 177.4 | -165.1 | -167 | 172.8 | -169.2 | 0 | 111.1 | G72 S73 L97 N135 W194 | G72-K95 CarbonylContact C-O 3.43Å; G72-K95 WeakPolarHBondContact CA-O 3.36Å; S73-K95 PolarHBondContact N-O 2.84Å; S73-K95 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact C-N 3.27Å; K95-L97 PolarHBondContact O-N 2.63Å; K95-N135 VanDerWaalsContact CA-OD1 3.26Å; K95-N135 WeakPolarHBondContact CA-OD1 3.12Å; K95-N135 WeakPolarHBondContact CG-OD1 3.31Å; K95-W194 HydrophobicContact CB-CH2 3.71Å; K95-W194 HydrophobicContact CB-CZ3 3.7Å |
| 96 | D | 97.2 | Very high | 94.1 | Very high | 91 Ų | 91 | 52.4 Ų | 52.4 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 55.3 | 38 | 172.1 | -54.6 | -40.6 | 0 | 0 | 0 | 113.6 | K71 G72 L134 N135 | K71-D96 CarbonylContact C-O 3.51Å; G72-D96 WeakPolarHBondContact CA-O 3.37Å; G72-D96 PolarHBondContact N-O 2.82Å; D96-L134 PolarHBondContact N-O 2.83Å; D96-N135 PolarHBondContact N-OD1 3.24Å |
| 97 | L | 97.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | trans | -62.1 | 153.1 | 179 | -65.4 | -178.8 | 0 | 0 | 0 | 111.8 | C94 K95 P109 L134 P136 V160 L172 L197 | C94-L97 HydrophobicContact CB-CD1 3.76Å; C94-L97 HydrophobicContact CB-CD2 3.75Å; C94-L97 HydrophobicContact CB-CG 3.77Å; K95-L97 VanDerWaalsContact C-N 3.27Å; K95-L97 PolarHBondContact O-N 2.63Å; L97-P109 HydrophobicContact CD1-CB 3.58Å; L97-P109 HydrophobicContact CD1-CG 3.96Å; L97-L134 HydrophobicContact CB-CB 4.37Å; L97-L134 WeakPolarHBondContact CB-O 3.45Å; L97-L134 VanDerWaalsContact CG-O 3.3Å; L97-L134 WeakPolarHBondContact CG-O 3.43Å; L97-L134 PolarHBondContact N-O 3.09Å; L97-L134 WeakPolarHBondContact O-CD2 3.26Å; L97-P136 HydrophobicContact CD1-CG 3.85Å; L97-V160 HydrophobicContact CD1-CG1 3.93Å; L97-V160 HydrophobicContact CD2-CG1 4.12Å; L97-L172 HydrophobicContact CD1-CD1 4.28Å; L97-L197 HydrophobicContact CD2-CD1 3.31Å | ||
| 98 | A | 94.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | trans | -62 | 139.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | L68 E69 A100 S107 L172 | L68-A98 HydrophobicContact CD2-CB 3.51Å; L68-A98 HydrophobicContact CG-CB 3.91Å; E69-A98 WeakPolarHBondContact O-CB 3.37Å; A98-A100 PolarHBondContact O-N 2.92Å; A98-S107 PolarHBondContact O-OG 3.45Å; A98-L172 HydrophobicContact CB-CD2 4.32Å | ||
| 99 | A | 93.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | trans | -84.9 | 109.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | L68 D101 L134 | L68-A99 WeakPolarHBondContact CD1-O 3.48Å; A99-D101 VanDerWaalsContact C-N 3.33Å; A99-L134 HydrophobicContact CB-CD1 4.27Å; A99-L134 HydrophobicContact CB-CD2 4.01Å | ||
| 100 | A | 89.1 | Confident | 94.5 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -68.3 | -34.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A98 R106 S107 H162 | A98-A100 PolarHBondContact O-N 2.92Å; A100-R106 PolarHBondContact N-O 2.97Å; A100-S107 PolarHBondContact N-OG 3.19Å; A100-H162 HydrophobicContact CB-CB 3.77Å |
| 101 | D | 87.9 | Confident | 94.5 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -94.7 | 90.3 | 166.1 | -174 | -18 | 0 | 0 | 0 | 108.9 | A99 K103 K104 Q105 R106 | A99-D101 VanDerWaalsContact C-N 3.33Å; D101-K103 PolarHBondContact O-N 3.38Å; D101-K103 PolarHBondContact OD1-N 3.43Å; D101-K104 HydrophobicContact CB-CB 4.42Å; D101-K104 CarbonylContact O-C 3.56Å; D101-K104 PolarHBondContact O-N 3.45Å; D101-K104 PolarHBondContact OD1-N 2.96Å; D101-K104 VanDerWaalsContact OD2-CD 3.23Å; D101-K104 WeakPolarHBondContact OD2-CD 3.36Å; D101-K104 WeakPolarHBondContact OD2-CG 3.42Å; D101-Q105 WeakPolarHBondContact O-CA 3.3Å; D101-Q105 PolarHBondContact O-N 3.38Å; D101-R106 HydrophobicContact CB-CG 4.2Å; D101-R106 PolarHBondContact N-O 2.89Å; D101-R106 VanDerWaalsContact N-O 3.07Å; D101-R106 PolarHBondContact O-N 2.99Å; D101-R106 IonicContact OD2-NE 2.92Å |
| 102 | V | 85.3 | Confident | 94.4 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 58% | 0.582 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -34.6 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | Q105 | V102-Q105 PolarHBondContact O-NE2 2.85Š|
| 103 | K | 87.8 | Confident | 94.3 | Very high | 201 Ų | 201 | 49.5 Ų | 49.5 | 87% | 0.874 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -38.2 | -179.9 | -68.8 | -173.6 | 177.5 | -175.6 | 0 | 111.6 | D101 | D101-K103 PolarHBondContact O-N 3.38Å; D101-K103 PolarHBondContact OD1-N 3.43Å |
| 104 | K | 91.5 | Very high | 93.9 | Very high | 125 Ų | 125 | 46.6 Ų | 46.6 | 54% | 0.543 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.9 | -177.8 | -58.9 | -175.4 | -169.6 | 163.8 | 0 | 114 | D101 R106 | D101-K104 HydrophobicContact CB-CB 4.42Å; D101-K104 CarbonylContact O-C 3.56Å; D101-K104 PolarHBondContact O-N 3.45Å; D101-K104 PolarHBondContact OD1-N 2.96Å; D101-K104 VanDerWaalsContact OD2-CD 3.23Å; D101-K104 WeakPolarHBondContact OD2-CD 3.36Å; D101-K104 WeakPolarHBondContact OD2-CG 3.42Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 HydrophobicContact CB-CG 3.9Å; K104-R106 VanDerWaalsContact CD-NH2 3.34Å; K104-R106 PolarHBondContact O-N 3.13Å |
| 105 | Q | 92.6 | Very high | 93.5 | Very high | 121 Ų | 121 | 46.7 Ų | 46.7 | 57% | 0.565 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 47.5 | -179 | -68.4 | -64.8 | -47.2 | 0 | 0 | 112.9 | D101 V102 | D101-Q105 WeakPolarHBondContact O-CA 3.3Å; D101-Q105 PolarHBondContact O-N 3.38Å; V102-Q105 PolarHBondContact O-NE2 2.85Å |
| 106 | R | 93.4 | Very high | 92.9 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -145.9 | 158.6 | -176 | 71.9 | -170.9 | -172.8 | -178.5 | 6.9 | 113.3 | A100 D101 K104 | A100-R106 PolarHBondContact N-O 2.97Å; D101-R106 HydrophobicContact CB-CG 4.2Å; D101-R106 PolarHBondContact N-O 2.89Å; D101-R106 VanDerWaalsContact N-O 3.07Å; D101-R106 PolarHBondContact O-N 2.99Å; D101-R106 IonicContact OD2-NE 2.92Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 HydrophobicContact CB-CG 3.9Å; K104-R106 VanDerWaalsContact CD-NH2 3.34Å; K104-R106 PolarHBondContact O-N 3.13Å |
| 107 | S | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -135.9 | 160.8 | 172.7 | -73 | 0 | 0 | 0 | 0 | 109.6 | A98 A100 P109 K132 T133 H162 | A98-S107 PolarHBondContact O-OG 3.45Å; A100-S107 PolarHBondContact N-OG 3.19Å; S107-P109 WeakPolarHBondContact O-CD 3.31Å; S107-K132 CarbonylContact O-C 3.51Å; S107-K132 VanDerWaalsContact O-CA 3.26Å; S107-K132 WeakPolarHBondContact O-CA 3.2Å; S107-K132 PolarHBondContact O-N 2.87Å; S107-T133 PolarHBondContact O-N 3.2Å; S107-T133 VanDerWaalsContact O-O 3.04Å; S107-H162 WeakPolarHBondContact CA-ND1 3.09Å | ||
| 108 | D | 96.7 | Very high | 90.7 | Very high | 35 Ų | 35 | 42 Ų | 42 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | trans | -106.3 | 71.6 | 165.7 | -63.1 | -21.2 | 0 | 0 | 0 | 108.7 | V129 V130 K131 K132 H162 R163 | D108-V129 HydrophobicContact CB-CG1 3.95Å; D108-V130 CarbonylContact C-O 3.52Å; D108-V130 VanDerWaalsContact CA-O 3.3Å; D108-V130 WeakPolarHBondContact CA-O 3.45Å; D108-K131 WeakPolarHBondContact OD1-CA 2.81Å; D108-K132 PolarHBondContact OD1-N 2.79Å; D108-H162 PolarHBondContact N-CE1 2.86Å; D108-H162 PolarHBondContact N-ND1 3.45Å; D108-R163 HydrophobicContact CB-CB 4.4Å; D108-R163 PolarHBondContact O-N 2.85Å | ||
| 109 | P | 97.7 | Very high | 89 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 150 | -170.3 | 31.2 | -41.1 | 0 | 0 | 0 | 114.1 | L97 S107 V130 T133 P136 Y138 V160 W161 L172 | L97-P109 HydrophobicContact CD1-CB 3.58Å; L97-P109 HydrophobicContact CD1-CG 3.96Å; S107-P109 WeakPolarHBondContact O-CD 3.31Å; P109-V130 WeakPolarHBondContact CD-O 3.35Å; P109-V130 PolarHBondContact O-N 3.39Å; P109-T133 VanDerWaalsContact CD-O 3.27Å; P109-T133 WeakPolarHBondContact CD-O 3.49Å; P109-T133 HydrophobicContact CG-CG2 4.01Å; P109-P136 HydrophobicContact CB-CG 4.04Å; P109-P136 HydrophobicContact CG-CB 3.7Å; P109-P136 HydrophobicContact CG-CG 3.5Å; P109-Y138 WeakPolarHBondContact CB-OH 3.4Å; P109-Y138 PolarHBondContact O-OH 3.47Å; P109-V160 HydrophobicContact CB-CG1 4.37Å; P109-W161 CarbonylContact C-O 3.37Å; P109-W161 WeakPolarHBondContact CA-O 3.46Å; P109-L172 HydrophobicContact CB-CD1 4.15Å |
| 110 | Y | 97.9 | Very high | 87.2 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 155.8 | 164.9 | 67.6 | -77.6 | 0 | 0 | 0 | 110.1 | K112 K126 L128 V129 Y138 W161 R163 N169 | Y110-K112 HydrophobicContact CD2-CG 4.16Å; Y110-K112 HydrophobicContact CE2-CD 3.7Å; Y110-K112 HydrophobicContact CE2-CG 3.66Å; Y110-K112 WeakPolarHBondContact OH-CE 3.33Å; Y110-K112 PolarHBondContact OH-NZ 3.15Å; Y110-K126 HydrophobicContact CD2-CB 4.48Å; Y110-L128 WeakPolarHBondContact CB-O 3.39Å; Y110-V129 HydrophobicContact CD1-CG2 3.95Å; Y110-V129 HydrophobicContact CG-CG2 3.99Å; Y110-Y138 WeakPolarHBondContact CA-OH 3.3Å; Y110-Y138 PolarHBondContact N-OH 2.87Å; Y110-W161 HydrophobicContact CD1-CB 3.99Å; Y110-W161 WeakPolarHBondContact CD1-O 3.28Å; Y110-W161 HydrophobicContact CE1-CB 3.38Å; Y110-W161 HydrophobicContact CE1-CG 4.44Å; Y110-W161 HydrophobicContact CE2-CB 4.03Å; Y110-W161 HydrophobicContact CE2-CG 4.38Å; Y110-W161 AromaticContact CZ-CG 3.99Å; Y110-W161 PolarHBondContact N-O 2.95Å; Y110-W161 PolarHBondContact O-N 2.86Å; Y110-R163 HydrophobicContact CD1-CB 4.11Å; Y110-R163 HydrophobicContact CE1-CB 4Å; Y110-N169 PolarHBondContact OH-ND2 2.86Å |
| 111 | V | 97.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.6 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | V91 T113 K126 T127 Y138 L158 S159 V160 | V91-V111 HydrophobicContact CG1-CB 4.15Å; V91-V111 HydrophobicContact CG1-CG1 4.3Å; V91-V111 HydrophobicContact CG1-CG2 3.83Å; V91-V111 HydrophobicContact CG2-CG1 4.33Å; V111-T113 HydrophobicContact CG1-CG2 4.45Å; V111-K126 CarbonylContact O-C 3.5Å; V111-K126 WeakPolarHBondContact O-CA 3.44Å; V111-K126 WeakPolarHBondContact O-CB 3.44Å; V111-T127 HydrophobicContact CB-CG2 3.94Å; V111-T127 PolarHBondContact N-OG1 3.38Å; V111-T127 PolarHBondContact O-N 2.72Å; V111-Y138 HydrophobicContact CG2-CD2 4.35Å; V111-Y138 HydrophobicContact CG2-CE2 3.71Å; V111-L158 HydrophobicContact CG1-CD1 4.07Å; V111-L158 HydrophobicContact CG1-CD2 3.55Å; V111-L158 HydrophobicContact CG1-CG 3.56Å; V111-S159 CarbonylContact C-O 3.57Å; V111-S159 WeakPolarHBondContact CA-O 3.41Å; V111-V160 HydrophobicContact CG2-CG2 4.23Å |
| 112 | K | 95.3 | Very high | 84.9 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.4 | 168.5 | -79.5 | 164.1 | 161.8 | 156.3 | 0 | 108.9 | Y110 Y114 K124 K125 K126 L158 S159 W161 | Y110-K112 HydrophobicContact CD2-CG 4.16Å; Y110-K112 HydrophobicContact CE2-CD 3.7Å; Y110-K112 HydrophobicContact CE2-CG 3.66Å; Y110-K112 WeakPolarHBondContact OH-CE 3.33Å; Y110-K112 PolarHBondContact OH-NZ 3.15Å; K112-Y114 HydrophobicContact CB-CE2 4.32Å; K112-K124 HydrophobicContact CB-CG 4.5Å; K112-K124 HydrophobicContact CD-CD 4.01Å; K112-K124 HydrophobicContact CG-CD 3.98Å; K112-K124 HydrophobicContact CG-CG 4.26Å; K112-K125 WeakPolarHBondContact CA-O 3.35Å; K112-K126 HydrophobicContact CG-CB 4.07Å; K112-L158 CarbonylContact O-C 3.48Å; K112-L158 WeakPolarHBondContact O-CA 3.31Å; K112-S159 PolarHBondContact N-O 3.03Å; K112-S159 PolarHBondContact O-N 2.89Å; K112-W161 HydrophobicContact CD-CD2 4.37Å; K112-W161 HydrophobicContact CD-CG 4.14Å |
| 113 | T | 94.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 154.1 | 169.8 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | V89 V111 K125 L142 Y144 L156 N157 L158 | V89-T113 HydrophobicContact CG1-CG2 4.2Å; V111-T113 HydrophobicContact CG1-CG2 4.45Å; T113-K125 PolarHBondContact N-O 2.84Å; T113-K125 PolarHBondContact O-N 3.31Å; T113-L142 HydrophobicContact CG2-CD1 3.82Å; T113-L142 WeakPolarHBondContact OG1-CD1 3.25Å; T113-Y144 WeakPolarHBondContact CB-OH 3.49Å; T113-Y144 PolarHBondContact O-OH 3.13Å; T113-Y144 WeakPolarHBondContact OG1-CE2 3.33Å; T113-Y144 PolarHBondContact OG1-OH 2.97Å; T113-L156 HydrophobicContact CG2-CD1 4.45Å; T113-N157 CarbonylContact C-O 3.51Å; T113-N157 VanDerWaalsContact CA-O 3.23Å; T113-N157 WeakPolarHBondContact CA-O 3.25Å; T113-L158 HydrophobicContact CG2-CB 4.06Å; T113-L158 HydrophobicContact CG2-CD1 4.01Å; T113-L158 HydrophobicContact CG2-CG 3.84Å |
| 114 | Y | 91.2 | Very high | 84.3 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144 | 172.6 | -68.1 | -89.2 | 0 | 0 | 0 | 109.8 | S56 V57 S59 V60 K112 K124 Y144 L156 N157 | S56-Y114 WeakPolarHBondContact O-CE1 3.28Å; S56-Y114 PolarHBondContact O-OH 2.74Å; V57-Y114 HydrophobicContact CB-CE1 4.49Å; V57-Y114 HydrophobicContact CG1-CD1 3.84Å; V57-Y114 HydrophobicContact CG1-CE1 4.16Å; S59-Y114 PolarHBondContact OG-OH 2.87Å; V60-Y114 HydrophobicContact CG2-CD1 4.25Å; V60-Y114 HydrophobicContact CG2-CD2 3.26Å; V60-Y114 HydrophobicContact CG2-CE1 4.32Å; V60-Y114 HydrophobicContact CG2-CE2 3.37Å; V60-Y114 HydrophobicContact CG2-CG 3.72Å; K112-Y114 HydrophobicContact CB-CE2 4.32Å; Y114-K124 HydrophobicContact CD1-CB 4.18Å; Y114-K124 HydrophobicContact CE1-CB 3.51Å; Y114-K124 HydrophobicContact CE1-CD 4.27Å; Y114-K124 HydrophobicContact CE1-CG 3.88Å; Y114-K124 HydrophobicContact CE2-CD 4.23Å; Y114-K124 HydrophobicContact CE2-CG 4.01Å; Y114-K124 WeakPolarHBondContact OH-CD 3.21Å; Y114-Y144 PolarHBondContact N-OH 2.95Å; Y114-L156 WeakPolarHBondContact O-CA 3.2Å; Y114-N157 PolarHBondContact N-O 2.84Å; Y114-N157 PolarHBondContact O-N 2.88Å |
| 115 | L | 90.1 | Very high | 84.4 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.6 | 160.2 | -65.1 | -179.7 | 0 | 0 | 0 | 108.1 | L87 D118 Y144 I146 K155 L156 L179 | L87-L115 HydrophobicContact CD2-CD1 4.31Å; L87-L115 HydrophobicContact CD2-CD2 3.8Å; L115-D118 PolarHBondContact O-N 3.21Å; L115-Y144 HydrophobicContact CD1-CD1 3.76Å; L115-Y144 HydrophobicContact CD1-CD2 4.29Å; L115-Y144 HydrophobicContact CD1-CE1 4.42Å; L115-Y144 HydrophobicContact CD1-CG 3.69Å; L115-Y144 HydrophobicContact CG-CD1 3.96Å; L115-Y144 HydrophobicContact CG-CD2 4.33Å; L115-Y144 HydrophobicContact CG-CE1 4.13Å; L115-Y144 HydrophobicContact CG-CE2 4.49Å; L115-Y144 HydrophobicContact CG-CG 4.08Å; L115-I146 HydrophobicContact CD1-CD1 3.93Å; L115-I146 HydrophobicContact CD1-CG2 4.24Å; L115-K155 WeakPolarHBondContact CA-O 3.47Å; L115-L156 HydrophobicContact CD2-CB 4.36Å; L115-L156 HydrophobicContact CD2-CD1 3.98Å; L115-L179 HydrophobicContact CD2-CD1 3.71Å |
| 116 | L | 85.5 | Confident | 84.6 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.1 | -175.9 | -56.8 | 178.3 | 0 | 0 | 0 | 109.8 | V57 V60 Q154 K155 N157 | V57-L116 HydrophobicContact CB-CD2 4.46Å; V57-L116 HydrophobicContact CG1-CD2 3.71Å; V60-L116 HydrophobicContact CG1-CD1 4.13Å; L116-Q154 VanDerWaalsContact C-OE1 3.22Å; L116-Q154 CarbonylContact O-C 3.38Å; L116-Q154 VanDerWaalsContact O-CA 3.27Å; L116-Q154 WeakPolarHBondContact O-CA 3.31Å; L116-Q154 PolarHBondContact O-OE1 2.89Å; L116-K155 PolarHBondContact N-O 2.8Å; L116-K155 PolarHBondContact O-N 2.83Å; L116-N157 HydrophobicContact CD1-CB 3.74Å; L116-N157 HydrophobicContact CG-CB 4.34Å |
| 117 | P | 78.5 | Confident | 84.8 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 26% | 0.26 | 20% | 0.201 | S | C | . | . | S | Bend | cis | -72.1 | 135.9 | -6.2 | 29.4 | -33.4 | 0 | 0 | 0 | 111.3 | K119 Q154 | P117-K119 HydrophobicContact CB-CG 4.11Å; P117-K119 HydrophobicContact CG-CD 3.98Å; P117-K119 HydrophobicContact CG-CG 3.97Å; P117-K119 PolarHBondContact O-N 2.82Å; P117-Q154 PolarHBondContact O-NE2 2.87Å; P117-Q154 PolarHBondContact O-OE1 2.93Å |
| 118 | D | 69.2 | Low | 84.9 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | trans | -72.4 | 71.4 | 177 | -174.7 | 11.6 | 0 | 0 | 0 | 110.6 | V57 L115 G120 K121 M122 | V57-D118 HydrophobicContact CG1-CB 3.88Å; L115-D118 PolarHBondContact O-N 3.21Å; D118-G120 PolarHBondContact O-N 3.4Å; D118-K121 PolarHBondContact OD1-N 2.84Å; D118-M122 PolarHBondContact OD1-N 3.47Å | ||
| 119 | K | 58.5 | Low | 84.9 | Confident | 173 Ų | 173 | 46.6 Ų | 46.6 | 75% | 0.752 | 24% | 0.236 | S | C | * | . | trans | -75 | -9.7 | -179 | -71.5 | -178.9 | 174.2 | 176.5 | 0 | 112.7 | P117 | P117-K119 HydrophobicContact CB-CG 4.11Å; P117-K119 HydrophobicContact CG-CD 3.98Å; P117-K119 HydrophobicContact CG-CG 3.97Å; P117-K119 PolarHBondContact O-N 2.82Å | ||
| 120 | G | 55.6 | Low | 84.9 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -127.8 | 10.6 | -164 | 0 | 0 | 0 | 0 | 0 | 116.7 | D118 M122 | D118-G120 PolarHBondContact O-N 3.4Å; G120-M122 PolarHBondContact O-N 2.86Å |
| 121 | K | 59.4 | Low | 84.9 | Confident | 178 Ų | 178 | 55 Ų | 55 | 77% | 0.774 | 28% | 0.277 | S | S | * | . | trans | 56.4 | 27.8 | -172 | -50.6 | 172.6 | -178.5 | 168.4 | 0 | 112.1 | D118 G123 | D118-K121 PolarHBondContact OD1-N 2.84Å; K121-G123 PolarHBondContact O-N 2.74Å; K121-G123 VanDerWaalsContact O-N 3.16Å | ||
| 122 | M | 70.5 | Confident | 84.8 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -63.5 | -26.8 | -179.5 | -61.2 | 100.3 | 171.5 | 0 | 0 | 110.5 | D118 G120 K125 Y144 I146 | D118-M122 PolarHBondContact OD1-N 3.47Å; G120-M122 PolarHBondContact O-N 2.86Å; M122-K125 WeakPolarHBondContact O-CE 3.14Å; M122-Y144 HydrophobicContact CB-CD1 3.96Å; M122-I146 HydrophobicContact CE-CD1 4.04Å; M122-I146 HydrophobicContact CE-CG1 4.19Å | ||
| 123 | G | 72.8 | Confident | 84.9 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | trans | 72.3 | 151.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K121 K125 Y144 | K121-G123 PolarHBondContact O-N 2.74Å; K121-G123 VanDerWaalsContact O-N 3.16Å; G123-K125 PolarHBondContact O-N 3.06Å; G123-Y144 VanDerWaalsContact O-CE1 3.31Å; G123-Y144 WeakPolarHBondContact O-CE1 3.36Å | ||
| 124 | K | 87.1 | Confident | 85.1 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 15% | 0.148 | 32% | 0.321 | C | S | . | . | trans | -48.3 | 131.2 | 172.5 | -175.7 | -178.4 | 77.1 | -144.4 | 0 | 112.8 | S52 S54 G55 K112 Y114 | S52-K124 PolarHBondContact O-NZ 2.93Å; S54-K124 PolarHBondContact O-NZ 2.77Å; G55-K124 PolarHBondContact O-N 3.22Å; K112-K124 HydrophobicContact CB-CG 4.5Å; K112-K124 HydrophobicContact CD-CD 4.01Å; K112-K124 HydrophobicContact CG-CD 3.98Å; K112-K124 HydrophobicContact CG-CG 4.26Å; Y114-K124 HydrophobicContact CD1-CB 4.18Å; Y114-K124 HydrophobicContact CE1-CB 3.51Å; Y114-K124 HydrophobicContact CE1-CD 4.27Å; Y114-K124 HydrophobicContact CE1-CG 3.88Å; Y114-K124 HydrophobicContact CE2-CD 4.23Å; Y114-K124 HydrophobicContact CE2-CG 4.01Å; Y114-K124 WeakPolarHBondContact OH-CD 3.21Å | ||
| 125 | K | 93.6 | Very high | 85.4 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 153.2 | 161.9 | -50.5 | -65 | 167.5 | 173.1 | 0 | 109.5 | K112 T113 M122 G123 L142 R143 Y144 | K112-K125 WeakPolarHBondContact CA-O 3.35Å; T113-K125 PolarHBondContact N-O 2.84Å; T113-K125 PolarHBondContact O-N 3.31Å; M122-K125 WeakPolarHBondContact O-CE 3.14Å; G123-K125 PolarHBondContact O-N 3.06Å; K125-L142 HydrophobicContact CB-CB 3.84Å; K125-L142 HydrophobicContact CB-CD1 4.16Å; K125-L142 HydrophobicContact CB-CD2 4.3Å; K125-L142 HydrophobicContact CB-CG 4.32Å; K125-R143 WeakPolarHBondContact CE-O 3.39Å; K125-Y144 HydrophobicContact CB-CE2 4.32Å; K125-Y144 HydrophobicContact CG-CD1 4.27Å; K125-Y144 HydrophobicContact CG-CD2 4.36Å; K125-Y144 HydrophobicContact CG-CE1 3.7Å; K125-Y144 HydrophobicContact CG-CE2 3.78Å; K125-Y144 VanDerWaalsContact CG-CZ 3.4Å; K125-Y144 WeakPolarHBondContact CG-OH 3.48Å; K125-Y144 PolarHBondContact N-OH 2.59Å |
| 126 | K | 95.7 | Very high | 85.8 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 152.5 | 179.3 | 65.4 | 174.5 | -174.6 | 173.8 | 0 | 111.3 | Y110 V111 K112 L142 | Y110-K126 HydrophobicContact CD2-CB 4.48Å; V111-K126 CarbonylContact O-C 3.5Å; V111-K126 WeakPolarHBondContact O-CA 3.44Å; V111-K126 WeakPolarHBondContact O-CB 3.44Å; K112-K126 HydrophobicContact CG-CB 4.07Å; K126-L142 VanDerWaalsContact O-CD2 3.3Å; K126-L142 WeakPolarHBondContact O-CD2 3.37Å |
| 127 | T | 98 | Very high | 86.4 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 172.7 | 168.4 | 65 | 0 | 0 | 0 | 0 | 111.1 | V91 V111 Y138 E140 L142 | V91-T127 HydrophobicContact CB-CG2 4.11Å; V91-T127 HydrophobicContact CG1-CG2 4.14Å; V91-T127 HydrophobicContact CG2-CG2 4.35Å; V111-T127 HydrophobicContact CB-CG2 3.94Å; V111-T127 PolarHBondContact N-OG1 3.38Å; V111-T127 PolarHBondContact O-N 2.72Å; T127-Y138 HydrophobicContact CG2-CD1 4.16Å; T127-Y138 HydrophobicContact CG2-CG 4.14Å; T127-Y138 WeakPolarHBondContact OG1-CD1 3.33Å; T127-Y138 WeakPolarHBondContact OG1-CE1 3.42Å; T127-E140 VanDerWaalsContact CA-OE2 3.28Å; T127-E140 WeakPolarHBondContact CA-OE2 3.43Å; T127-E140 WeakPolarHBondContact CB-OE1 3.32Å; T127-E140 HydrophobicContact CG2-CB 4.22Å; T127-L142 HydrophobicContact CG2-CD1 4.3Å; T127-L142 HydrophobicContact CG2-CD2 4.36Å |
| 128 | L | 97.1 | Very high | 87.3 | Confident | 128 Ų | 128 | 69.5 Ų | 69.5 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 161.6 | 161 | -61.7 | 178.1 | 0 | 0 | 0 | 111 | Y110 Y138 E140 | Y110-L128 WeakPolarHBondContact CB-O 3.39Å; L128-Y138 WeakPolarHBondContact O-CE1 2.97Å; L128-E140 WeakPolarHBondContact CB-OE1 3.21Å; L128-E140 PolarHBondContact N-OE1 3.49Å; L128-E140 PolarHBondContact N-OE2 3.35Å |
| 129 | V | 97.7 | Very high | 88.7 | Confident | 42 Ų | 42 | 72.1 Ų | 72.1 | 26% | 0.255 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 121.7 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | D108 Y110 R163 | D108-V129 HydrophobicContact CB-CG1 3.95Å; Y110-V129 HydrophobicContact CD1-CG2 3.95Å; Y110-V129 HydrophobicContact CG-CG2 3.99Å; V129-R163 HydrophobicContact CG1-CB 3.91Å; V129-R163 HydrophobicContact CG2-CB 4.17Å |
| 130 | V | 97.9 | Very high | 90.5 | Very high | 44 Ų | 44 | 66.1 Ų | 66.1 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 122.6 | 173 | -173.4 | 0 | 0 | 0 | 0 | 107.5 | D108 P109 T133 P136 Y138 | D108-V130 CarbonylContact C-O 3.52Å; D108-V130 VanDerWaalsContact CA-O 3.3Å; D108-V130 WeakPolarHBondContact CA-O 3.45Å; P109-V130 WeakPolarHBondContact CD-O 3.35Å; P109-V130 PolarHBondContact O-N 3.39Å; V130-T133 HydrophobicContact CB-CG2 4.11Å; V130-T133 HydrophobicContact CG1-CG2 3.57Å; V130-P136 HydrophobicContact CB-CB 3.85Å; V130-P136 HydrophobicContact CG1-CB 4.22Å; V130-P136 HydrophobicContact CG2-CB 3.99Å; V130-Y138 HydrophobicContact CG2-CD1 3.79Å; V130-Y138 HydrophobicContact CG2-CE1 3.67Å |
| 131 | K | 97 | Very high | 92.5 | Very high | 143 Ų | 143 | 68 Ų | 68 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 147.4 | -172.7 | -64.1 | -179.1 | -178.8 | 174.2 | 0 | 111.8 | D108 T133 | D108-K131 WeakPolarHBondContact OD1-CA 2.81Å; K131-T133 PolarHBondContact O-N 3.35Å |
| 132 | K | 95.8 | Very high | 94.2 | Very high | 135 Ų | 135 | 60 Ų | 60 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 54.1 | 44.3 | 166.1 | -56.1 | 172.9 | -175.9 | 170.9 | 0 | 114.1 | S107 D108 | S107-K132 CarbonylContact O-C 3.51Å; S107-K132 VanDerWaalsContact O-CA 3.26Å; S107-K132 WeakPolarHBondContact O-CA 3.2Å; S107-K132 PolarHBondContact O-N 2.87Å; D108-K132 PolarHBondContact OD1-N 2.79Å |
| 133 | T | 97.7 | Very high | 95.4 | Very high | 34 Ų | 34 | 63.9 Ų | 63.9 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | trans | -142.1 | 151.1 | 178.8 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | S107 P109 V130 K131 N135 P136 | S107-T133 PolarHBondContact O-N 3.2Å; S107-T133 VanDerWaalsContact O-O 3.04Å; P109-T133 VanDerWaalsContact CD-O 3.27Å; P109-T133 WeakPolarHBondContact CD-O 3.49Å; P109-T133 HydrophobicContact CG-CG2 4.01Å; V130-T133 HydrophobicContact CB-CG2 4.11Å; V130-T133 HydrophobicContact CG1-CG2 3.57Å; K131-T133 PolarHBondContact O-N 3.35Å; T133-N135 PolarHBondContact OG1-N 2.84Å; T133-N135 PolarHBondContact OG1-O 3.06Å; T133-P136 HydrophobicContact CG2-CB 3.85Å | ||
| 134 | L | 97.7 | Very high | 96.4 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 18% | 0.183 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -102.6 | -5.1 | 167.7 | -54.6 | -177.7 | 0 | 0 | 0 | 112 | D96 L97 A99 P136 | D96-L134 PolarHBondContact N-O 2.83Å; L97-L134 HydrophobicContact CB-CB 4.37Å; L97-L134 WeakPolarHBondContact CB-O 3.45Å; L97-L134 VanDerWaalsContact CG-O 3.3Å; L97-L134 WeakPolarHBondContact CG-O 3.43Å; L97-L134 PolarHBondContact N-O 3.09Å; L97-L134 WeakPolarHBondContact O-CD2 3.26Å; A99-L134 HydrophobicContact CB-CD1 4.27Å; A99-L134 HydrophobicContact CB-CD2 4.01Å; L134-P136 VanDerWaalsContact C-CD 3.44Å |
| 135 | N | 98.2 | Very high | 96.6 | Very high | 77 Ų | 77 | 69.3 Ų | 69.3 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -129.6 | 63 | -178.1 | -57.6 | -71.3 | 0 | 0 | 0 | 110 | C94 K95 D96 T133 | C94-N135 CarbonylContact O-C 3.49Å; C94-N135 VanDerWaalsContact O-CA 3.3Å; C94-N135 WeakPolarHBondContact O-CA 3.47Å; K95-N135 VanDerWaalsContact CA-OD1 3.26Å; K95-N135 WeakPolarHBondContact CA-OD1 3.12Å; K95-N135 WeakPolarHBondContact CG-OD1 3.31Å; D96-N135 PolarHBondContact N-OD1 3.24Å; T133-N135 PolarHBondContact OG1-N 2.84Å; T133-N135 PolarHBondContact OG1-O 3.06Å |
| 136 | P | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | trans | -69.1 | 141.3 | -179 | 31.2 | -38 | 0 | 0 | 0 | 111.6 | Q93 C94 L97 P109 V130 T133 L134 Y138 | Q93-P136 CarbonylContact C-O 3.53Å; Q93-P136 WeakPolarHBondContact CA-O 3.39Å; Q93-P136 VanDerWaalsContact CB-O 3.28Å; Q93-P136 WeakPolarHBondContact CB-O 3.26Å; C94-P136 HydrophobicContact CB-CG 3.75Å; C94-P136 PolarHBondContact N-O 2.92Å; L97-P136 HydrophobicContact CD1-CG 3.85Å; P109-P136 HydrophobicContact CB-CG 4.04Å; P109-P136 HydrophobicContact CG-CB 3.7Å; P109-P136 HydrophobicContact CG-CG 3.5Å; V130-P136 HydrophobicContact CB-CB 3.85Å; V130-P136 HydrophobicContact CG1-CB 4.22Å; V130-P136 HydrophobicContact CG2-CB 3.99Å; T133-P136 HydrophobicContact CG2-CB 3.85Å; L134-P136 VanDerWaalsContact C-CD 3.44Å; P136-Y138 HydrophobicContact CB-CE1 4.08Å; P136-Y138 HydrophobicContact CB-CE2 3.82Å; P136-Y138 HydrophobicContact CG-CE2 3.63Å; P136-Y138 VanDerWaalsContact CG-OH 3.28Å; P136-Y138 WeakPolarHBondContact CG-OH 3.37Å | ||
| 137 | V | 98.4 | Very high | 96.1 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.2 | 167.7 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | Q93 N139 | Q93-V137 HydrophobicContact CB-CB 4.48Å; Q93-V137 HydrophobicContact CB-CG2 4.16Å; V137-N139 WeakPolarHBondContact CG1-ND2 3.38Å |
| 138 | Y | 98 | Very high | 95.7 | Very high | 20 Ų | 20 | 67.9 Ų | 67.9 | 8% | 0.078 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -52.9 | -177.5 | -55.8 | -78.6 | 0 | 0 | 0 | 111.2 | V91 A92 P109 Y110 V111 T127 L128 V130 P136 E140 | V91-Y138 HydrophobicContact CG1-CD2 3.86Å; V91-Y138 HydrophobicContact CG1-CE2 4.46Å; V91-Y138 HydrophobicContact CG1-CG 4.45Å; A92-Y138 PolarHBondContact O-N 3.32Å; P109-Y138 WeakPolarHBondContact CB-OH 3.4Å; P109-Y138 PolarHBondContact O-OH 3.47Å; Y110-Y138 WeakPolarHBondContact CA-OH 3.3Å; Y110-Y138 PolarHBondContact N-OH 2.87Å; V111-Y138 HydrophobicContact CG2-CD2 4.35Å; V111-Y138 HydrophobicContact CG2-CE2 3.71Å; T127-Y138 HydrophobicContact CG2-CD1 4.16Å; T127-Y138 HydrophobicContact CG2-CG 4.14Å; T127-Y138 WeakPolarHBondContact OG1-CD1 3.33Å; T127-Y138 WeakPolarHBondContact OG1-CE1 3.42Å; L128-Y138 WeakPolarHBondContact O-CE1 2.97Å; V130-Y138 HydrophobicContact CG2-CD1 3.79Å; V130-Y138 HydrophobicContact CG2-CE1 3.67Å; P136-Y138 HydrophobicContact CB-CE1 4.08Å; P136-Y138 HydrophobicContact CB-CE2 3.82Å; P136-Y138 HydrophobicContact CG-CE2 3.63Å; P136-Y138 VanDerWaalsContact CG-OH 3.28Å; P136-Y138 WeakPolarHBondContact CG-OH 3.37Å; Y138-E140 VanDerWaalsContact C-N 3.28Å; Y138-E140 PolarHBondContact O-N 2.87Å |
| 139 | N | 97 | Very high | 95.3 | Very high | 103 Ų | 103 | 67.8 Ų | 67.8 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 45.6 | -171.4 | -61.2 | -35.5 | 0 | 0 | 0 | 112.9 | F90 V91 A92 V137 | F90-N139 HydrophobicContact CE2-CB 4.37Å; V91-N139 WeakPolarHBondContact O-CA 3.23Å; V91-N139 PolarHBondContact O-N 2.99Å; V91-N139 VanDerWaalsContact O-N 3.15Å; A92-N139 PolarHBondContact O-N 2.95Å; A92-N139 VanDerWaalsContact O-N 3.08Å; V137-N139 WeakPolarHBondContact CG1-ND2 3.38Å |
| 140 | E | 97.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 70.8 Ų | 70.8 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.8 | -176.8 | -70.1 | -177.3 | -123.2 | 0 | 0 | 111.9 | V91 T127 L128 Y138 | V91-E140 PolarHBondContact N-O 2.83Å; V91-E140 PolarHBondContact O-N 3.38Å; V91-E140 VanDerWaalsContact O-N 3.08Å; T127-E140 VanDerWaalsContact CA-OE2 3.28Å; T127-E140 WeakPolarHBondContact CA-OE2 3.43Å; T127-E140 WeakPolarHBondContact CB-OE1 3.32Å; T127-E140 HydrophobicContact CG2-CB 4.22Å; L128-E140 WeakPolarHBondContact CB-OE1 3.21Å; L128-E140 PolarHBondContact N-OE1 3.49Å; L128-E140 PolarHBondContact N-OE2 3.35Å; Y138-E140 VanDerWaalsContact C-N 3.28Å; Y138-E140 PolarHBondContact O-N 2.87Å |
| 141 | I | 96.6 | Very high | 94.4 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 114.1 | 173.9 | -58.2 | 174 | 0 | 0 | 0 | 109.5 | H88 F90 R143 | H88-I141 HydrophobicContact CB-CG2 3.77Å; F90-I141 HydrophobicContact CB-CG1 4.32Å; F90-I141 HydrophobicContact CD2-CG1 3.7Å; F90-I141 HydrophobicContact CE2-CG1 4.5Å; F90-I141 HydrophobicContact CG-CG1 4.37Å; I141-R143 HydrophobicContact CG2-CG 3.92Å |
| 142 | L | 96.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.3 | 173.9 | -53.3 | -177.1 | 0 | 0 | 0 | 109.5 | V89 V91 T113 K125 K126 T127 | V89-L142 HydrophobicContact CB-CB 4.3Å; V89-L142 PolarHBondContact N-O 2.86Å; V89-L142 PolarHBondContact O-N 2.93Å; V91-L142 HydrophobicContact CG2-CD1 4.1Å; V91-L142 HydrophobicContact CG2-CG 4.39Å; T113-L142 HydrophobicContact CG2-CD1 3.82Å; T113-L142 WeakPolarHBondContact OG1-CD1 3.25Å; K125-L142 HydrophobicContact CB-CB 3.84Å; K125-L142 HydrophobicContact CB-CD1 4.16Å; K125-L142 HydrophobicContact CB-CD2 4.3Å; K125-L142 HydrophobicContact CB-CG 4.32Å; K126-L142 VanDerWaalsContact O-CD2 3.3Å; K126-L142 WeakPolarHBondContact O-CD2 3.37Å; T127-L142 HydrophobicContact CG2-CD1 4.3Å; T127-L142 HydrophobicContact CG2-CD2 4.36Å |
| 143 | R | 94.9 | Very high | 93.5 | Very high | 126 Ų | 126 | 64.4 Ų | 64.4 | 48% | 0.475 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.1 | -171.4 | -57.4 | -178.4 | -177.8 | -176.4 | 2.4 | 112.7 | L87 K125 I141 | L87-R143 WeakPolarHBondContact O-CA 3.28Å; K125-R143 WeakPolarHBondContact CE-O 3.39Å; I141-R143 HydrophobicContact CG2-CG 3.92Å |
| 144 | Y | 93.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.3 | 171.3 | -69.3 | -87.1 | 0 | 0 | 0 | 110 | E86 L87 V89 T113 Y114 L115 M122 G123 K125 I146 | E86-Y144 CarbonylContact C-O 3.47Å; E86-Y144 WeakPolarHBondContact CA-O 3.48Å; L87-Y144 HydrophobicContact CD2-CD2 4.26Å; L87-Y144 PolarHBondContact N-O 3.17Å; L87-Y144 PolarHBondContact O-N 3.08Å; V89-Y144 HydrophobicContact CG2-CD2 4.34Å; V89-Y144 HydrophobicContact CG2-CE2 4.28Å; T113-Y144 WeakPolarHBondContact CB-OH 3.49Å; T113-Y144 PolarHBondContact O-OH 3.13Å; T113-Y144 WeakPolarHBondContact OG1-CE2 3.33Å; T113-Y144 PolarHBondContact OG1-OH 2.97Å; Y114-Y144 PolarHBondContact N-OH 2.95Å; L115-Y144 HydrophobicContact CD1-CD1 3.76Å; L115-Y144 HydrophobicContact CD1-CD2 4.29Å; L115-Y144 HydrophobicContact CD1-CE1 4.42Å; L115-Y144 HydrophobicContact CD1-CG 3.69Å; L115-Y144 HydrophobicContact CG-CD1 3.96Å; L115-Y144 HydrophobicContact CG-CD2 4.33Å; L115-Y144 HydrophobicContact CG-CE1 4.13Å; L115-Y144 HydrophobicContact CG-CE2 4.49Å; L115-Y144 HydrophobicContact CG-CG 4.08Å; M122-Y144 HydrophobicContact CB-CD1 3.96Å; G123-Y144 VanDerWaalsContact O-CE1 3.31Å; G123-Y144 WeakPolarHBondContact O-CE1 3.36Å; K125-Y144 HydrophobicContact CB-CE2 4.32Å; K125-Y144 HydrophobicContact CG-CD1 4.27Å; K125-Y144 HydrophobicContact CG-CD2 4.36Å; K125-Y144 HydrophobicContact CG-CE1 3.7Å; K125-Y144 HydrophobicContact CG-CE2 3.78Å; K125-Y144 VanDerWaalsContact CG-CZ 3.4Å; K125-Y144 WeakPolarHBondContact CG-OH 3.48Å; K125-Y144 PolarHBondContact N-OH 2.59Å; Y144-I146 PolarHBondContact O-N 3.1Å |
| 145 | K | 91.1 | Very high | 92.8 | Very high | 162 Ų | 162 | 65.1 Ų | 65.1 | 70% | 0.704 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 109.1 | 169.1 | -68.3 | -174.1 | 177.2 | -169.7 | 0 | 108.7 | E86 | E86-K145 HydrophobicContact CG-CG 3.87Å; E86-K145 VanDerWaalsContact OE1-CE 3.31Å; E86-K145 WeakPolarHBondContact OE1-CE 3.33Å |
| 146 | I | 90 | Very high | 92.5 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -156 | 135.5 | -176.5 | -176.3 | 167.3 | 0 | 0 | 0 | 108.3 | Y80 K85 L87 L115 M122 Y144 F150 L151 Q154 | Y80-I146 HydrophobicContact CE2-CG2 4.49Å; Y80-I146 VanDerWaalsContact CE2-O 3.23Å; Y80-I146 WeakPolarHBondContact CE2-O 3.2Å; Y80-I146 PolarHBondContact OH-O 2.84Å; Y80-I146 VanDerWaalsContact OH-O 3.07Å; K85-I146 CarbonylContact C-O 3.54Å; K85-I146 PolarHBondContact O-N 3.44Å; L87-I146 HydrophobicContact CB-CG2 4.06Å; L115-I146 HydrophobicContact CD1-CD1 3.93Å; L115-I146 HydrophobicContact CD1-CG2 4.24Å; M122-I146 HydrophobicContact CE-CD1 4.04Å; M122-I146 HydrophobicContact CE-CG1 4.19Å; Y144-I146 PolarHBondContact O-N 3.1Å; I146-F150 HydrophobicContact CD1-CB 4.14Å; I146-F150 HydrophobicContact CG1-CB 3.96Å; I146-L151 HydrophobicContact CD1-CB 4.46Å; I146-L151 HydrophobicContact CD1-CD1 4.34Å; I146-L151 HydrophobicContact CG2-CD1 3.89Å; I146-Q154 HydrophobicContact CD1-CG 3.89Å | ||
| 147 | E | 90.1 | Very high | 92.3 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | trans | -76.1 | 147.8 | 175.7 | -49.2 | -165.1 | 136.8 | 0 | 0 | 111.1 | K85 Q149 F150 L151 | K85-E147 HydrophobicContact CD-CG 4.35Å; K85-E147 IonicContact NZ-OE1 3.38Å; K85-E147 PolarHBondContact NZ-OE1 3.11Å; E147-Q149 HydrophobicContact CB-CG 4.09Å; E147-Q149 PolarHBondContact O-N 3.34Å; E147-Q149 VanDerWaalsContact O-N 3.09Å; E147-Q149 PolarHBondContact OE2-NE2 2.9Å; E147-F150 HydrophobicContact CB-CD2 3.9Å; E147-F150 HydrophobicContact CB-CE2 4.36Å; E147-F150 HydrophobicContact CG-CD2 4.3Å; E147-F150 HydrophobicContact CG-CE2 4.45Å; E147-F150 PolarHBondContact O-N 3Å; E147-L151 PolarHBondContact O-N 3.41Å | ||
| 148 | R | 89 | Confident | 92.2 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54 | -35.9 | -175.4 | -159.8 | 176.5 | -149.3 | -135.2 | 1.7 | 113.2 | Y80 E82 F150 L151 D185 | Y80-R148 HydrophobicContact CD1-CB 4.42Å; Y80-R148 HydrophobicContact CD1-CG 4.21Å; Y80-R148 HydrophobicContact CE1-CB 3.73Å; Y80-R148 HydrophobicContact CE1-CG 4.01Å; Y80-R148 PolarHBondContact OH-N 2.84Å; E82-R148 WeakPolarHBondContact OE2-CD 3.04Å; E82-R148 IonicContact OE2-NE 3.73Å; R148-F150 VanDerWaalsContact C-N 3.33Å; R148-F150 PolarHBondContact O-N 3.36Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 2.85Å; R148-D185 IonicContact NH2-OD1 3.57Å |
| 149 | Q | 88.3 | Confident | 92 | Very high | 126 Ų | 126 | 56.9 Ų | 56.9 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62 | -38.2 | 177.1 | 61.1 | -179.1 | -1.2 | 0 | 0 | 113 | E147 | E147-Q149 HydrophobicContact CB-CG 4.09Å; E147-Q149 PolarHBondContact O-N 3.34Å; E147-Q149 VanDerWaalsContact O-N 3.09Å; E147-Q149 PolarHBondContact OE2-NE2 2.9Å |
| 150 | F | 88.4 | Confident | 92 | Very high | 106 Ų | 106 | 52 Ų | 52 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -82.7 | -27.3 | 178.4 | -60.8 | -64 | 0 | 0 | 0 | 111.8 | I146 E147 R148 K152 T153 Q154 | I146-F150 HydrophobicContact CD1-CB 4.14Å; I146-F150 HydrophobicContact CG1-CB 3.96Å; E147-F150 HydrophobicContact CB-CD2 3.9Å; E147-F150 HydrophobicContact CB-CE2 4.36Å; E147-F150 HydrophobicContact CG-CD2 4.3Å; E147-F150 HydrophobicContact CG-CE2 4.45Å; E147-F150 PolarHBondContact O-N 3Å; R148-F150 VanDerWaalsContact C-N 3.33Å; R148-F150 PolarHBondContact O-N 3.36Å; F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 2.77Å; F150-T153 WeakPolarHBondContact O-CB 3.44Å; F150-T153 PolarHBondContact O-N 3.05Å; F150-T153 PolarHBondContact O-OG1 2.8Å; F150-Q154 WeakPolarHBondContact O-CG 3.14Å |
| 151 | L | 88.8 | Confident | 91.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56 | -40.4 | 179.7 | -172.5 | 67.4 | 0 | 0 | 0 | 112.6 | Y80 L87 I146 E147 R148 T153 Q154 L179 W184 | Y80-L151 HydrophobicContact CD2-CD2 3.53Å; Y80-L151 HydrophobicContact CE2-CD2 4.11Å; Y80-L151 HydrophobicContact CG-CD2 4.06Å; L87-L151 HydrophobicContact CB-CD1 4.05Å; L87-L151 HydrophobicContact CD1-CD1 4.32Å; L87-L151 HydrophobicContact CD2-CD1 3.93Å; L87-L151 HydrophobicContact CG-CD1 4.31Å; I146-L151 HydrophobicContact CD1-CB 4.46Å; I146-L151 HydrophobicContact CD1-CD1 4.34Å; I146-L151 HydrophobicContact CG2-CD1 3.89Å; E147-L151 PolarHBondContact O-N 3.41Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 2.85Å; L151-T153 PolarHBondContact O-N 3.41Å; L151-Q154 WeakPolarHBondContact O-CB 3.44Å; L151-Q154 PolarHBondContact O-N 3.01Å; L151-L179 HydrophobicContact CD1-CD1 3.63Å; L151-L179 HydrophobicContact CG-CD1 4.21Å; L151-L179 WeakPolarHBondContact O-CB 3.16Å; L151-W184 HydrophobicContact CD1-CH2 4.47Å; L151-W184 HydrophobicContact CD1-CZ2 4.46Å; L151-W184 HydrophobicContact CD2-CD2 4.38Å; L151-W184 HydrophobicContact CD2-CE3 4.44Å; L151-W184 HydrophobicContact CD2-CH2 3.52Å; L151-W184 HydrophobicContact CD2-CZ2 3.38Å; L151-W184 HydrophobicContact CD2-CZ3 4.04Å; L151-W184 HydrophobicContact CG-CH2 4.16Å; L151-W184 HydrophobicContact CG-CZ2 3.78Å |
| 152 | K | 86.2 | Confident | 91.7 | Very high | 106 Ų | 106 | 47 Ų | 47 | 46% | 0.461 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -10.8 | 178.2 | -66 | -171.2 | 176.1 | -170 | 0 | 114 | F150 Q154 E180 | F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 2.77Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; K152-E180 WeakPolarHBondContact O-CA 3.35Å; K152-E180 WeakPolarHBondContact O-CB 3.44Å |
| 153 | T | 87 | Confident | 91.5 | Very high | 81 Ų | 81 | 52 Ų | 52 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8 | 177.1 | 71.4 | 0 | 0 | 0 | 0 | 112.7 | F150 L151 | F150-T153 WeakPolarHBondContact O-CB 3.44Å; F150-T153 PolarHBondContact O-N 3.05Å; F150-T153 PolarHBondContact O-OG1 2.8Å; L151-T153 PolarHBondContact O-N 3.41Å |
| 154 | Q | 89.1 | Confident | 91.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | trans | -117.8 | 156 | -169.9 | -59 | -69 | -50.9 | 0 | 0 | 111.2 | L116 P117 I146 F150 L151 K152 L179 | L116-Q154 VanDerWaalsContact C-OE1 3.22Å; L116-Q154 CarbonylContact O-C 3.38Å; L116-Q154 VanDerWaalsContact O-CA 3.27Å; L116-Q154 WeakPolarHBondContact O-CA 3.31Å; L116-Q154 PolarHBondContact O-OE1 2.89Å; P117-Q154 PolarHBondContact O-NE2 2.87Å; P117-Q154 PolarHBondContact O-OE1 2.93Å; I146-Q154 HydrophobicContact CD1-CG 3.89Å; F150-Q154 WeakPolarHBondContact O-CG 3.14Å; L151-Q154 WeakPolarHBondContact O-CB 3.44Å; L151-Q154 PolarHBondContact O-N 3.01Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; Q154-L179 HydrophobicContact CB-CD1 4.17Å; Q154-L179 WeakPolarHBondContact O-CB 3.36Å; Q154-L179 PolarHBondContact O-N 3.34Å | ||
| 155 | K | 91.7 | Very high | 90.8 | Very high | 79 Ų | 79 | 52.4 Ų | 52.4 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.3 | 162.3 | -60.9 | -173.3 | 175.4 | -177 | 0 | 108.6 | L115 L116 E176 L177 | L115-K155 WeakPolarHBondContact CA-O 3.47Å; L116-K155 PolarHBondContact N-O 2.8Å; L116-K155 PolarHBondContact O-N 2.83Å; K155-E176 HydrophobicContact CB-CG 4.34Å; K155-E176 HydrophobicContact CD-CG 4.47Å; K155-E176 WeakPolarHBondContact CD-OE1 3.28Å; K155-E176 IonicContact NZ-OE1 3.82Å; K155-L177 CarbonylContact C-O 3.57Å; K155-L177 VanDerWaalsContact CA-O 3.3Å; K155-L177 WeakPolarHBondContact CA-O 3.42Å |
| 156 | L | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.7 | 168.9 | 177.6 | 70.3 | 0 | 0 | 0 | 108.6 | F76 L78 V89 T113 Y114 L115 E176 L177 L179 | F76-L156 HydrophobicContact CE2-CD2 4.24Å; L78-L156 HydrophobicContact CD1-CD2 3.91Å; L78-L156 HydrophobicContact CD2-CD2 3.53Å; L78-L156 HydrophobicContact CG-CD2 4.34Å; V89-L156 HydrophobicContact CG1-CD2 4.38Å; V89-L156 HydrophobicContact CG2-CD1 4.18Å; V89-L156 HydrophobicContact CG2-CD2 4.3Å; T113-L156 HydrophobicContact CG2-CD1 4.45Å; Y114-L156 WeakPolarHBondContact O-CA 3.2Å; L115-L156 HydrophobicContact CD2-CB 4.36Å; L115-L156 HydrophobicContact CD2-CD1 3.98Å; L156-E176 WeakPolarHBondContact O-CA 3.39Å; L156-L177 HydrophobicContact CB-CB 4.47Å; L156-L177 PolarHBondContact N-O 3.47Å; L156-L177 PolarHBondContact O-N 2.97Å; L156-L179 HydrophobicContact CB-CD1 4.26Å; L156-L179 HydrophobicContact CB-CD2 3.99Å; L156-L179 HydrophobicContact CB-CG 4.25Å |
| 157 | N | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 119 | 165 | 178 | -88.4 | 0 | 0 | 0 | 108.8 | T113 Y114 L116 E174 | T113-N157 CarbonylContact C-O 3.51Å; T113-N157 VanDerWaalsContact CA-O 3.23Å; T113-N157 WeakPolarHBondContact CA-O 3.25Å; Y114-N157 PolarHBondContact N-O 2.84Å; Y114-N157 PolarHBondContact O-N 2.88Å; L116-N157 HydrophobicContact CD1-CB 3.74Å; L116-N157 HydrophobicContact CG-CB 4.34Å; N157-E174 PolarHBondContact ND2-OE2 3.32Å |
| 158 | L | 95.6 | Very high | 89 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.2 | 172.9 | -176.5 | 159 | 0 | 0 | 0 | 108.4 | V74 F76 V89 V91 V111 K112 T113 V160 E174 V175 | V74-L158 HydrophobicContact CB-CD2 4.49Å; V74-L158 HydrophobicContact CG1-CD2 3.92Å; V74-L158 HydrophobicContact CG2-CD2 4.09Å; F76-L158 HydrophobicContact CB-CD1 4.39Å; F76-L158 HydrophobicContact CD1-CD1 3.74Å; F76-L158 HydrophobicContact CD2-CD1 4.14Å; F76-L158 HydrophobicContact CE1-CD1 3.91Å; F76-L158 HydrophobicContact CE2-CD1 4.32Å; F76-L158 HydrophobicContact CG-CD1 3.84Å; F76-L158 HydrophobicContact CZ-CD1 4.2Å; V89-L158 HydrophobicContact CG1-CD1 4.39Å; V91-L158 HydrophobicContact CG2-CD1 4.39Å; V111-L158 HydrophobicContact CG1-CD1 4.07Å; V111-L158 HydrophobicContact CG1-CD2 3.55Å; V111-L158 HydrophobicContact CG1-CG 3.56Å; K112-L158 CarbonylContact O-C 3.48Å; K112-L158 WeakPolarHBondContact O-CA 3.31Å; T113-L158 HydrophobicContact CG2-CB 4.06Å; T113-L158 HydrophobicContact CG2-CD1 4.01Å; T113-L158 HydrophobicContact CG2-CG 3.84Å; L158-V160 HydrophobicContact CD2-CG2 4.45Å; L158-E174 CarbonylContact O-C 3.52Å; L158-E174 WeakPolarHBondContact O-CA 3.49Å; L158-E174 WeakPolarHBondContact O-CB 3.48Å; L158-V175 PolarHBondContact N-O 2.99Å; L158-V175 PolarHBondContact O-N 3.05Å |
| 159 | S | 94.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.9 | -177.8 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | V111 K112 W161 G173 | V111-S159 CarbonylContact C-O 3.57Å; V111-S159 WeakPolarHBondContact CA-O 3.41Å; K112-S159 PolarHBondContact N-O 3.03Å; K112-S159 PolarHBondContact O-N 2.89Å; S159-W161 VanDerWaalsContact CB-NE1 3.29Å; S159-W161 PolarHBondContact OG-NE1 3.01Å; S159-G173 CarbonylContact C-O 3.47Å; S159-G173 WeakPolarHBondContact CA-O 3.32Å |
| 160 | V | 96.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.1 | 178.6 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | L97 P109 V111 L158 L172 G173 L197 | L97-V160 HydrophobicContact CD1-CG1 3.93Å; L97-V160 HydrophobicContact CD2-CG1 4.12Å; P109-V160 HydrophobicContact CB-CG1 4.37Å; V111-V160 HydrophobicContact CG2-CG2 4.23Å; L158-V160 HydrophobicContact CD2-CG2 4.45Å; V160-L172 HydrophobicContact CB-CB 4.17Å; V160-L172 HydrophobicContact CG1-CB 4.16Å; V160-L172 HydrophobicContact CG1-CD1 4.21Å; V160-L172 PolarHBondContact O-N 2.79Å; V160-G173 PolarHBondContact N-O 2.94Å; V160-L197 HydrophobicContact CB-CD1 4.39Å; V160-L197 HydrophobicContact CG2-CD1 4Å; V160-L197 HydrophobicContact CG2-CD2 3.66Å |
| 161 | W | 94.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.5 | -172.3 | -63.7 | 76.7 | 0 | 0 | 0 | 111 | S59 F65 P109 Y110 K112 S159 N169 S170 F171 | S59-W161 VanDerWaalsContact O-CH2 3.31Å; S59-W161 WeakPolarHBondContact O-CH2 3.17Å; S59-W161 WeakPolarHBondContact O-CZ2 3.47Å; F65-W161 HydrophobicContact CD1-CH2 4.09Å; F65-W161 AromaticContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CZ2 4.21Å; P109-W161 CarbonylContact C-O 3.37Å; P109-W161 WeakPolarHBondContact CA-O 3.46Å; Y110-W161 HydrophobicContact CD1-CB 3.99Å; Y110-W161 WeakPolarHBondContact CD1-O 3.28Å; Y110-W161 HydrophobicContact CE1-CB 3.38Å; Y110-W161 HydrophobicContact CE1-CG 4.44Å; Y110-W161 HydrophobicContact CE2-CB 4.03Å; Y110-W161 HydrophobicContact CE2-CG 4.38Å; Y110-W161 AromaticContact CZ-CG 3.99Å; Y110-W161 PolarHBondContact N-O 2.95Å; Y110-W161 PolarHBondContact O-N 2.86Å; K112-W161 HydrophobicContact CD-CD2 4.37Å; K112-W161 HydrophobicContact CD-CG 4.14Å; S159-W161 VanDerWaalsContact CB-NE1 3.29Å; S159-W161 PolarHBondContact OG-NE1 3.01Å; W161-N169 HydrophobicContact CE3-CB 4.26Å; W161-S170 CarbonylContact C-O 3.45Å; W161-S170 VanDerWaalsContact CA-O 3.32Å; W161-S170 WeakPolarHBondContact CA-O 3.23Å; W161-F171 HydrophobicContact CD2-CD2 4.35Å; W161-F171 AromaticContact CE2-CD2 3.96Å; W161-F171 HydrophobicContact CE3-CB 4.18Å; W161-F171 HydrophobicContact CH2-CB 4.45Å; W161-F171 HydrophobicContact CH2-CD2 4.21Å; W161-F171 AromaticContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ3-CB 4.09Å |
| 162 | H | 93.4 | Very high | 89.1 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.4 | 164.7 | 173.1 | 76.9 | 0 | 0 | 0 | 109.6 | A100 S107 D108 D164 N169 S170 L172 | A100-H162 HydrophobicContact CB-CB 3.77Å; S107-H162 WeakPolarHBondContact CA-ND1 3.09Å; D108-H162 PolarHBondContact N-CE1 2.86Å; D108-H162 PolarHBondContact N-ND1 3.45Å; H162-D164 PolarHBondContact O-N 2.92Å; H162-N169 CarbonylContact O-C 3.44Å; H162-N169 WeakPolarHBondContact O-CA 3.24Å; H162-N169 WeakPolarHBondContact O-CB 3.43Å; H162-S170 PolarHBondContact N-O 3.27Å; H162-S170 PolarHBondContact O-N 3.5Å; H162-S170 VanDerWaalsContact O-N 3.11Å; H162-L172 HydrophobicContact CB-CD1 4.15Å; H162-L172 HydrophobicContact CB-CD2 4.12Å; H162-L172 HydrophobicContact CB-CG 4.22Å |
| 163 | R | 93.5 | Very high | 89.4 | Confident | 118 Ų | 118 | 47.2 Ų | 47.2 | 45% | 0.445 | 22% | 0.222 | S | C | . | . | trans | -80.1 | 115.9 | 168.9 | 179.5 | 175.7 | 173.7 | -155 | 1.2 | 109.8 | D108 Y110 V129 N169 | D108-R163 HydrophobicContact CB-CB 4.4Å; D108-R163 PolarHBondContact O-N 2.85Å; Y110-R163 HydrophobicContact CD1-CB 4.11Å; Y110-R163 HydrophobicContact CE1-CB 4Å; V129-R163 HydrophobicContact CG1-CB 3.91Å; V129-R163 HydrophobicContact CG2-CB 4.17Å; R163-N169 WeakPolarHBondContact CA-OD1 3.21Å | ||
| 164 | D | 87 | Confident | 89.8 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 21% | 0.214 | 20% | 0.203 | C | C | . | . | trans | -98 | 139.4 | 168.4 | -159.8 | -51.5 | 0 | 0 | 0 | 108.9 | H162 F166 K167 N169 | H162-D164 PolarHBondContact O-N 2.92Å; D164-F166 PolarHBondContact OD1-N 2.99Å; D164-K167 HydrophobicContact CB-CB 4.06Å; D164-K167 PolarHBondContact OD1-N 3Å; D164-N169 PolarHBondContact N-OD1 3.2Å; D164-N169 VanDerWaalsContact N-OD1 3.07Å | ||
| 165 | T | 84.9 | Confident | 90.1 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 58% | 0.583 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -82.2 | -32.6 | -178.4 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 166 | F | 79.6 | Confident | 90.1 | Very high | 196 Ų | 196 | 45.6 Ų | 45.6 | 86% | 0.86 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -116.9 | -9.2 | -172.8 | -57.5 | -71 | 0 | 0 | 0 | 113 | D164 | D164-F166 PolarHBondContact OD1-N 2.99Š|
| 167 | K | 77.1 | Confident | 90.1 | Very high | 161 Ų | 161 | 46.6 Ų | 46.6 | 70% | 0.7 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -123.4 | 179.8 | 177.8 | -52 | 179.6 | -179.2 | 174.6 | 0 | 111.4 | D164 | D164-K167 HydrophobicContact CB-CB 4.06Å; D164-K167 PolarHBondContact OD1-N 3Å |
| 168 | R | 77.4 | Confident | 90 | Very high | 125 Ų | 125 | 49.2 Ų | 49.2 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 138.2 | 167.3 | -171.6 | -175 | -175.6 | 147.2 | 14.4 | 109.5 | S62 D64 S170 | S62-R168 PolarHBondContact OG-NH2 3.02Å; D64-R168 IonicContact OD2-CZ 2.94Å; D64-R168 IonicContact OD2-NE 3.34Å; D64-R168 IonicContact OD2-NH1 2.74Å; D64-R168 PolarHBondContact OD2-NH1 3.44Å; R168-S170 PolarHBondContact O-N 2.73Å |
| 169 | N | 86.3 | Confident | 89.9 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 131.9 | 171.8 | -65 | -23.2 | 0 | 0 | 0 | 110.8 | Y110 W161 H162 R163 D164 | Y110-N169 PolarHBondContact OH-ND2 2.86Å; W161-N169 HydrophobicContact CE3-CB 4.26Å; H162-N169 CarbonylContact O-C 3.44Å; H162-N169 WeakPolarHBondContact O-CA 3.24Å; H162-N169 WeakPolarHBondContact O-CB 3.43Å; R163-N169 WeakPolarHBondContact CA-OD1 3.21Å; D164-N169 PolarHBondContact N-OD1 3.2Å; D164-N169 VanDerWaalsContact N-OD1 3.07Å |
| 170 | S | 87.2 | Confident | 89.7 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 147.2 | 178.8 | -40.9 | 0 | 0 | 0 | 0 | 110.4 | W161 H162 R168 | W161-S170 CarbonylContact C-O 3.45Å; W161-S170 VanDerWaalsContact CA-O 3.32Å; W161-S170 WeakPolarHBondContact CA-O 3.23Å; H162-S170 PolarHBondContact N-O 3.27Å; H162-S170 PolarHBondContact O-N 3.5Å; H162-S170 VanDerWaalsContact O-N 3.11Å; R168-S170 PolarHBondContact O-N 2.73Å |
| 171 | F | 90 | Very high | 89.3 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.8 | 177.7 | 173.5 | -95.9 | 0 | 0 | 0 | 110.6 | F65 V70 W161 G173 E174 K200 | F65-F171 HydrophobicContact CB-CB 3.76Å; F65-F171 HydrophobicContact CB-CD1 3.69Å; F65-F171 HydrophobicContact CB-CE1 4.45Å; F65-F171 HydrophobicContact CB-CG 3.91Å; F65-F171 HydrophobicContact CD1-CB 3.45Å; F65-F171 VanDerWaalsContact CD1-CB 3.45Å; F65-F171 AromaticContact CD1-CD1 3.81Å; F65-F171 HydrophobicContact CD1-CD1 3.81Å; F65-F171 AromaticContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CE1 4.34Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CZ 4.45Å; F65-F171 HydrophobicContact CE1-CB 4.5Å; F65-F171 AromaticContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CE2 4.23Å; F65-F171 HydrophobicContact CE1-CG 4.2Å; F65-F171 HydrophobicContact CG-CB 4.05Å; F65-F171 AromaticContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD2 4.42Å; F65-F171 HydrophobicContact CG-CE1 4.4Å; F65-F171 AromaticContact CG-CG 3.91Å; F65-F171 HydrophobicContact CG-CG 3.91Å; V70-F171 HydrophobicContact CG2-CD1 4.25Å; V70-F171 HydrophobicContact CG2-CE1 4.13Å; W161-F171 HydrophobicContact CD2-CD2 4.35Å; W161-F171 AromaticContact CE2-CD2 3.96Å; W161-F171 HydrophobicContact CE3-CB 4.18Å; W161-F171 HydrophobicContact CH2-CB 4.45Å; W161-F171 HydrophobicContact CH2-CD2 4.21Å; W161-F171 AromaticContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ3-CB 4.09Å; F171-G173 WeakPolarHBondContact CE2-O 3.46Å; F171-G173 VanDerWaalsContact CZ-CA 3.43Å; F171-E174 HydrophobicContact CE2-CB 3.93Å; F171-E174 HydrophobicContact CE2-CG 4.41Å; F171-E174 HydrophobicContact CZ-CB 3.72Å; F171-E174 HydrophobicContact CZ-CG 3.84Å; F171-K200 HydrophobicContact CE1-CB 4.27Å; F171-K200 HydrophobicContact CZ-CB 4.1Å |
| 172 | L | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -6.7 | -176.6 | -56.8 | -177.3 | 0 | 0 | 0 | 112.5 | L68 V70 L97 A98 P109 V160 H162 | L68-L172 HydrophobicContact CD2-CD2 3.39Å; V70-L172 WeakPolarHBondContact CG1-O 3.43Å; L97-L172 HydrophobicContact CD1-CD1 4.28Å; A98-L172 HydrophobicContact CB-CD2 4.32Å; P109-L172 HydrophobicContact CB-CD1 4.15Å; V160-L172 HydrophobicContact CB-CB 4.17Å; V160-L172 HydrophobicContact CG1-CB 4.16Å; V160-L172 HydrophobicContact CG1-CD1 4.21Å; V160-L172 PolarHBondContact O-N 2.79Å; H162-L172 HydrophobicContact CB-CD1 4.15Å; H162-L172 HydrophobicContact CB-CD2 4.12Å; H162-L172 HydrophobicContact CB-CG 4.22Å |
| 173 | G | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.4 | 166.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S159 V160 F171 K198 | S159-G173 CarbonylContact C-O 3.47Å; S159-G173 WeakPolarHBondContact CA-O 3.32Å; V160-G173 PolarHBondContact N-O 2.94Å; F171-G173 WeakPolarHBondContact CE2-O 3.46Å; F171-G173 VanDerWaalsContact CZ-CA 3.43Å; G173-K198 WeakPolarHBondContact CA-O 2.9Å |
| 174 | E | 94.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 166.1 | 176.9 | 71.8 | -173.1 | 176.4 | 0 | 0 | 113.8 | N157 L158 F171 K198 K200 | N157-E174 PolarHBondContact ND2-OE2 3.32Å; L158-E174 CarbonylContact O-C 3.52Å; L158-E174 WeakPolarHBondContact O-CA 3.49Å; L158-E174 WeakPolarHBondContact O-CB 3.48Å; F171-E174 HydrophobicContact CE2-CB 3.93Å; F171-E174 HydrophobicContact CE2-CG 4.41Å; F171-E174 HydrophobicContact CZ-CB 3.72Å; F171-E174 HydrophobicContact CZ-CG 3.84Å; E174-K198 PolarHBondContact N-O 3.44Å; E174-K198 PolarHBondContact O-N 2.99Å; E174-K200 WeakPolarHBondContact OE1-CB 2.94Å; E174-K200 VanDerWaalsContact OE1-CG 3.25Å; E174-K200 WeakPolarHBondContact OE1-CG 3.43Å; E174-K200 IonicContact OE1-NZ 3.79Å; E174-K200 PolarHBondContact OE1-NZ 3.09Å; E174-K200 VanDerWaalsContact OE1-NZ 3.16Å; E174-K200 IonicContact OE2-NZ 3.9Å; E174-K200 PolarHBondContact OE2-NZ 3.31Å |
| 175 | V | 94.8 | Very high | 88.3 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 9% | 0.085 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.8 | 169.5 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | V74 F76 L158 L177 Y195 L197 | V74-V175 HydrophobicContact CG1-CG2 3.74Å; F76-V175 HydrophobicContact CE1-CB 4.46Å; F76-V175 HydrophobicContact CE1-CG1 4.24Å; F76-V175 HydrophobicContact CZ-CG1 4.21Å; L158-V175 PolarHBondContact N-O 2.99Å; L158-V175 PolarHBondContact O-N 3.05Å; V175-L177 HydrophobicContact CG1-CD2 4.22Å; V175-L177 HydrophobicContact CG1-CG 4.26Å; V175-Y195 HydrophobicContact CG1-CD1 3.91Å; V175-Y195 HydrophobicContact CG1-CG 4.05Å; V175-L197 HydrophobicContact CG2-CD2 4.15Å |
| 176 | E | 93.2 | Very high | 88.4 | Confident | 96 Ų | 96 | 61.4 Ų | 61.4 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.6 | 171.5 | -171.3 | 169.3 | 107.7 | 0 | 0 | 109 | K155 L156 | K155-E176 HydrophobicContact CB-CG 4.34Å; K155-E176 HydrophobicContact CD-CG 4.47Å; K155-E176 WeakPolarHBondContact CD-OE1 3.28Å; K155-E176 IonicContact NZ-OE1 3.82Å; L156-E176 WeakPolarHBondContact O-CA 3.39Å |
| 177 | L | 92.6 | Very high | 88.5 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.4 | 175.3 | -62.5 | -179.3 | 0 | 0 | 0 | 109.4 | F76 L78 K155 L156 V175 W182 Y195 | F76-L177 HydrophobicContact CE2-CD1 3.65Å; F76-L177 HydrophobicContact CZ-CD1 3.57Å; F76-L177 HydrophobicContact CZ-CG 4.32Å; L78-L177 HydrophobicContact CD1-CD1 3.86Å; K155-L177 CarbonylContact C-O 3.57Å; K155-L177 VanDerWaalsContact CA-O 3.3Å; K155-L177 WeakPolarHBondContact CA-O 3.42Å; L156-L177 HydrophobicContact CB-CB 4.47Å; L156-L177 PolarHBondContact N-O 3.47Å; L156-L177 PolarHBondContact O-N 2.97Å; V175-L177 HydrophobicContact CG1-CD2 4.22Å; V175-L177 HydrophobicContact CG1-CG 4.26Å; L177-W182 HydrophobicContact CD1-CE3 4.23Å; L177-W182 HydrophobicContact CD1-CH2 4.23Å; L177-W182 HydrophobicContact CD1-CZ3 3.8Å; L177-W182 HydrophobicContact CD2-CZ3 4.26Å; L177-Y195 HydrophobicContact CD1-CE1 4.39Å; L177-Y195 HydrophobicContact CD2-CD1 4.37Å; L177-Y195 HydrophobicContact CD2-CE1 3.88Å |
| 178 | D | 92.3 | Very high | 88.8 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.5 | 171 | -162.9 | -37.1 | 0 | 0 | 0 | 109.6 | E180 T181 W182 | D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 WeakPolarHBondContact OD1-CB 3.48Å; D178-E180 PolarHBondContact OD1-N 3.33Å; D178-T181 PolarHBondContact O-OG1 2.65Å; D178-W182 PolarHBondContact O-N 2.98Å |
| 179 | L | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -82.7 | -10.4 | -176 | -57 | -174.6 | 0 | 0 | 0 | 112.7 | L78 L87 L115 L151 Q154 L156 W184 | L78-L179 HydrophobicContact CD1-CD2 4.05Å; L87-L179 HydrophobicContact CD2-CD1 4.29Å; L115-L179 HydrophobicContact CD2-CD1 3.71Å; L151-L179 HydrophobicContact CD1-CD1 3.63Å; L151-L179 HydrophobicContact CG-CD1 4.21Å; L151-L179 WeakPolarHBondContact O-CB 3.16Å; Q154-L179 HydrophobicContact CB-CD1 4.17Å; Q154-L179 WeakPolarHBondContact O-CB 3.36Å; Q154-L179 PolarHBondContact O-N 3.34Å; L156-L179 HydrophobicContact CB-CD1 4.26Å; L156-L179 HydrophobicContact CB-CD2 3.99Å; L156-L179 HydrophobicContact CB-CG 4.25Å; L179-W184 HydrophobicContact CB-CZ2 4.09Å; L179-W184 HydrophobicContact CD2-CH2 4.25Å; L179-W184 HydrophobicContact CD2-CZ2 4.04Å; L179-W184 HydrophobicContact CG-CZ2 4.45Å; L179-W184 PolarHBondContact O-NE1 3.25Å |
| 180 | E | 89.9 | Confident | 88.9 | Confident | 134 Ų | 134 | 57.7 Ų | 57.7 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -66.5 | -48.8 | 170.9 | -169.8 | 176.9 | 178.8 | 0 | 0 | 110.7 | K152 D178 W182 | K152-E180 WeakPolarHBondContact O-CA 3.35Å; K152-E180 WeakPolarHBondContact O-CB 3.44Å; D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 WeakPolarHBondContact OD1-CB 3.48Å; D178-E180 PolarHBondContact OD1-N 3.33Å; E180-W182 VanDerWaalsContact C-N 3.33Å |
| 181 | T | 89.5 | Confident | 89 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 70% | 0.699 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -88.7 | -2.4 | -176.1 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | D178 D183 | D178-T181 PolarHBondContact O-OG1 2.65Å; T181-D183 PolarHBondContact O-N 3.33Å |
| 182 | W | 89.7 | Confident | 89.2 | Confident | 31 Ų | 31 | 65 Ų | 65 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | trans | -70.4 | 120.5 | 178.2 | -170.7 | -97.1 | 0 | 0 | 0 | 111 | L78 L177 D178 E180 W184 N189 Y195 | L78-W182 HydrophobicContact CB-CZ2 4.34Å; L78-W182 HydrophobicContact CD1-CD2 4.35Å; L78-W182 HydrophobicContact CD1-CZ2 4.14Å; L78-W182 HydrophobicContact CG-CZ2 4.42Å; L177-W182 HydrophobicContact CD1-CE3 4.23Å; L177-W182 HydrophobicContact CD1-CH2 4.23Å; L177-W182 HydrophobicContact CD1-CZ3 3.8Å; L177-W182 HydrophobicContact CD2-CZ3 4.26Å; D178-W182 PolarHBondContact O-N 2.98Å; E180-W182 VanDerWaalsContact C-N 3.33Å; W182-W184 HydrophobicContact CB-CZ2 4.31Å; W182-W184 AromaticContact CD1-CD2 3.61Å; W182-W184 AromaticContact CD1-CE2 3.59Å; W182-W184 AromaticContact CD1-CE3 3.84Å; W182-W184 AromaticContact CD1-CH2 3.97Å; W182-W184 AromaticContact CD1-CZ2 3.78Å; W182-W184 HydrophobicContact CG-CZ2 4.28Å; W182-W184 PolarHBondContact O-N 2.82Å; W182-W184 PolarHBondContact O-NE1 3.34Å; W182-N189 HydrophobicContact CH2-CB 4.29Å; W182-N189 HydrophobicContact CZ2-CB 3.52Å; W182-Y195 WeakPolarHBondContact CH2-OH 3.46Å | ||
| 183 | D | 87.8 | Confident | 89.3 | Confident | 85 Ų | 85 | 68 Ų | 68 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | trans | -75.2 | 99 | 174.2 | -179.9 | -3.4 | 0 | 0 | 0 | 110 | T181 D185 S186 N189 | T181-D183 PolarHBondContact O-N 3.33Å; D183-D185 VanDerWaalsContact C-N 3.29Å; D183-D185 PolarHBondContact O-N 2.92Å; D183-D185 PolarHBondContact OD1-N 3.13Å; D183-S186 VanDerWaalsContact CG-CB 3.48Å; D183-S186 PolarHBondContact OD1-N 3.17Å; D183-S186 VanDerWaalsContact OD2-CB 3.25Å; D183-S186 WeakPolarHBondContact OD2-CB 3.48Å; D183-N189 WeakPolarHBondContact O-CB 3.32Å; D183-N189 PolarHBondContact O-ND2 2.77Å | ||
| 184 | W | 86.3 | Confident | 89.4 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -72.7 | -19.4 | -179.2 | -66.2 | 94.3 | 0 | 0 | 0 | 114 | L78 L87 L151 L179 W182 | L78-W184 HydrophobicContact CB-CZ3 4.42Å; L87-W184 HydrophobicContact CD1-CH2 3.51Å; L87-W184 HydrophobicContact CD1-CZ3 3.72Å; L151-W184 HydrophobicContact CD1-CH2 4.47Å; L151-W184 HydrophobicContact CD1-CZ2 4.46Å; L151-W184 HydrophobicContact CD2-CD2 4.38Å; L151-W184 HydrophobicContact CD2-CE3 4.44Å; L151-W184 HydrophobicContact CD2-CH2 3.52Å; L151-W184 HydrophobicContact CD2-CZ2 3.38Å; L151-W184 HydrophobicContact CD2-CZ3 4.04Å; L151-W184 HydrophobicContact CG-CH2 4.16Å; L151-W184 HydrophobicContact CG-CZ2 3.78Å; L179-W184 HydrophobicContact CB-CZ2 4.09Å; L179-W184 HydrophobicContact CD2-CH2 4.25Å; L179-W184 HydrophobicContact CD2-CZ2 4.04Å; L179-W184 HydrophobicContact CG-CZ2 4.45Å; L179-W184 PolarHBondContact O-NE1 3.25Å; W182-W184 HydrophobicContact CB-CZ2 4.31Å; W182-W184 AromaticContact CD1-CD2 3.61Å; W182-W184 AromaticContact CD1-CE2 3.59Å; W182-W184 AromaticContact CD1-CE3 3.84Å; W182-W184 AromaticContact CD1-CH2 3.97Å; W182-W184 AromaticContact CD1-CZ2 3.78Å; W182-W184 HydrophobicContact CG-CZ2 4.28Å; W182-W184 PolarHBondContact O-N 2.82Å; W182-W184 PolarHBondContact O-NE1 3.34Å |
| 185 | D | 83.9 | Confident | 89.5 | Confident | 127 Ų | 127 | 74 Ų | 74 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -97.9 | -16.1 | -174.5 | -58.9 | -33.1 | 0 | 0 | 0 | 111.4 | R148 D183 K187 | R148-D185 IonicContact NH2-OD1 3.57Å; D183-D185 VanDerWaalsContact C-N 3.29Å; D183-D185 PolarHBondContact O-N 2.92Å; D183-D185 PolarHBondContact OD1-N 3.13Å; D185-K187 PolarHBondContact O-N 2.64Å |
| 186 | S | 85.3 | Confident | 89.7 | Confident | 25 Ų | 25 | 77.3 Ų | 77.3 | 18% | 0.175 | 38% | 0.378 | C | S | . | . | trans | -61.9 | 116.8 | 170.6 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | D183 Q188 N189 | D183-S186 VanDerWaalsContact CG-CB 3.48Å; D183-S186 PolarHBondContact OD1-N 3.17Å; D183-S186 VanDerWaalsContact OD2-CB 3.25Å; D183-S186 WeakPolarHBondContact OD2-CB 3.48Å; S186-Q188 PolarHBondContact O-N 3.34Å; S186-Q188 VanDerWaalsContact O-N 3.12Å; S186-Q188 PolarHBondContact OG-N 3.35Å; S186-N189 PolarHBondContact O-N 3.03Å | ||
| 187 | K | 83.1 | Confident | 89.8 | Confident | 175 Ų | 175 | 73.5 Ų | 73.5 | 76% | 0.761 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -30.3 | 171.2 | -69 | -175.7 | 179.4 | 178.9 | 0 | 112.7 | D185 | D185-K187 PolarHBondContact O-N 2.64Š|
| 188 | Q | 82.5 | Confident | 89.8 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -36.4 | 178.9 | -62.2 | -178.6 | 3.5 | 0 | 0 | 111.5 | S186 K190 Q191 K193 | S186-Q188 PolarHBondContact O-N 3.34Å; S186-Q188 VanDerWaalsContact O-N 3.12Å; S186-Q188 PolarHBondContact OG-N 3.35Å; Q188-K190 PolarHBondContact O-N 3.03Å; Q188-Q191 WeakPolarHBondContact O-CB 3.49Å; Q188-Q191 PolarHBondContact O-N 2.98Å; Q188-Q191 VanDerWaalsContact O-N 3.1Å; Q188-K193 WeakPolarHBondContact O-CE 3.32Å |
| 189 | N | 81.7 | Confident | 89.5 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.4 | -179.1 | -77.4 | -8.5 | 0 | 0 | 0 | 113.5 | W182 D183 S186 Q191 K193 | W182-N189 HydrophobicContact CH2-CB 4.29Å; W182-N189 HydrophobicContact CZ2-CB 3.52Å; D183-N189 WeakPolarHBondContact O-CB 3.32Å; D183-N189 PolarHBondContact O-ND2 2.77Å; S186-N189 PolarHBondContact O-N 3.03Å; N189-Q191 VanDerWaalsContact C-N 3.32Å; N189-K193 PolarHBondContact OD1-NZ 3.44Å |
| 190 | K | 83.6 | Confident | 88.5 | Confident | 103 Ų | 103 | 85.5 Ų | 85.5 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.4 | 170.8 | -58.5 | -168.6 | -179.4 | -133 | 0 | 113.5 | D79 Q188 | D79-K190 WeakPolarHBondContact OD1-CE 3.27Å; D79-K190 IonicContact OD1-NZ 2.77Å; D79-K190 PolarHBondContact OD1-NZ 2.84Å; Q188-K190 PolarHBondContact O-N 3.03Å |
| 191 | Q | 89.5 | Confident | 86.6 | Confident | 125 Ų | 125 | 84.3 Ų | 84.3 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -86.7 | 156.4 | 178 | -65.6 | 178.1 | 3.7 | 0 | 0 | 111.3 | Q188 N189 K193 | Q188-Q191 WeakPolarHBondContact O-CB 3.49Å; Q188-Q191 PolarHBondContact O-N 2.98Å; Q188-Q191 VanDerWaalsContact O-N 3.1Å; N189-Q191 VanDerWaalsContact C-N 3.32Å; Q191-K193 PolarHBondContact O-N 3.27Å |
| 192 | L | 94 | Very high | 84.5 | Confident | 69 Ų | 69 | 81.4 Ų | 81.4 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | trans | -62.6 | 117.8 | 174.8 | -77 | 175.4 | 0 | 0 | 0 | 111 | Q75 A77 F90 A92 | Q75-L192 HydrophobicContact CG-CB 4Å; Q75-L192 HydrophobicContact CG-CD2 4.32Å; A77-L192 HydrophobicContact CB-CD2 4.05Å; F90-L192 HydrophobicContact CD1-CD2 3.61Å; F90-L192 HydrophobicContact CD1-CG 4.26Å; F90-L192 HydrophobicContact CE1-CD1 4.01Å; F90-L192 HydrophobicContact CE1-CD2 3.78Å; F90-L192 HydrophobicContact CE1-CG 4.15Å; A92-L192 HydrophobicContact CB-CD1 3.92Å; A92-L192 HydrophobicContact CB-CD2 3.62Å; A92-L192 HydrophobicContact CB-CG 4.43Å | ||
| 193 | K | 94.7 | Very high | 82.2 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.4 | 176.7 | -71.7 | -177.9 | 177.4 | -179.9 | 0 | 110.9 | Q75 F76 Q188 N189 Q191 Y195 | Q75-K193 VanDerWaalsContact CA-O 3.29Å; Q75-K193 WeakPolarHBondContact CA-O 3.44Å; F76-K193 PolarHBondContact N-O 2.97Å; F76-K193 VanDerWaalsContact N-O 3.09Å; F76-K193 PolarHBondContact O-N 3.23Å; Q188-K193 WeakPolarHBondContact O-CE 3.32Å; N189-K193 PolarHBondContact OD1-NZ 3.44Å; Q191-K193 PolarHBondContact O-N 3.27Å; K193-Y195 HydrophobicContact CB-CD2 4.41Å; K193-Y195 HydrophobicContact CB-CE2 3.61Å; K193-Y195 WeakPolarHBondContact O-CD2 3.37Å; K193-Y195 WeakPolarHBondContact O-CE2 3.4Å |
| 194 | W | 97 | Very high | 79.6 | Confident | 110 Ų | 110 | 85.6 Ų | 85.6 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.7 | 172.3 | -73.9 | 101.8 | 0 | 0 | 0 | 110.4 | Q75 Q93 K95 | Q75-W194 HydrophobicContact CB-CD2 3.73Å; Q75-W194 HydrophobicContact CB-CE3 3.67Å; Q75-W194 HydrophobicContact CB-CG 4.43Å; Q75-W194 HydrophobicContact CB-CH2 3.9Å; Q75-W194 HydrophobicContact CB-CZ2 3.95Å; Q75-W194 HydrophobicContact CB-CZ3 3.76Å; Q75-W194 HydrophobicContact CG-CD2 3.97Å; Q75-W194 HydrophobicContact CG-CE3 4.42Å; Q75-W194 HydrophobicContact CG-CG 4.26Å; Q75-W194 HydrophobicContact CG-CZ2 4.3Å; Q93-W194 HydrophobicContact CG-CH2 3.7Å; Q93-W194 HydrophobicContact CG-CZ2 4.1Å; Q93-W194 VanDerWaalsContact NE2-CZ2 3.35Å; K95-W194 HydrophobicContact CB-CH2 3.71Å; K95-W194 HydrophobicContact CB-CZ3 3.7Å |
| 195 | Y | 96.9 | Very high | 77.1 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 15% | 0.145 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.4 | 175.9 | -65.1 | -92.4 | 0 | 0 | 0 | 109.6 | S73 V74 F76 V175 L177 W182 K193 | S73-Y195 CarbonylContact C-O 3.54Å; S73-Y195 WeakPolarHBondContact CA-O 3.21Å; S73-Y195 WeakPolarHBondContact CB-O 3.29Å; V74-Y195 PolarHBondContact N-O 2.98Å; V74-Y195 PolarHBondContact O-N 2.84Å; F76-Y195 AromaticContact CD1-CD2 3.55Å; F76-Y195 HydrophobicContact CD1-CD2 3.55Å; F76-Y195 AromaticContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CG 4.42Å; F76-Y195 HydrophobicContact CE1-CD1 4.44Å; F76-Y195 AromaticContact CE1-CD2 3.11Å; F76-Y195 HydrophobicContact CE1-CD2 3.11Å; F76-Y195 AromaticContact CE1-CE2 3.54Å; F76-Y195 HydrophobicContact CE1-CE2 3.54Å; F76-Y195 AromaticContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE2-CE2 4.14Å; F76-Y195 HydrophobicContact CG-CD2 4.43Å; F76-Y195 HydrophobicContact CG-CE2 4.41Å; F76-Y195 AromaticContact CZ-CD2 3.68Å; F76-Y195 HydrophobicContact CZ-CD2 3.68Å; F76-Y195 AromaticContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CG 4.14Å; V175-Y195 HydrophobicContact CG1-CD1 3.91Å; V175-Y195 HydrophobicContact CG1-CG 4.05Å; L177-Y195 HydrophobicContact CD1-CE1 4.39Å; L177-Y195 HydrophobicContact CD2-CD1 4.37Å; L177-Y195 HydrophobicContact CD2-CE1 3.88Å; W182-Y195 WeakPolarHBondContact CH2-OH 3.46Å; K193-Y195 HydrophobicContact CB-CD2 4.41Å; K193-Y195 HydrophobicContact CB-CE2 3.61Å; K193-Y195 WeakPolarHBondContact O-CD2 3.37Å; K193-Y195 WeakPolarHBondContact O-CE2 3.4Å |
| 196 | P | 97.3 | Very high | 74.9 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.6 | 174.2 | 28.3 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 197 | L | 96.4 | Very high | 72.7 | Confident | 15 Ų | 15 | 94.7 Ų | 94.7 | 8% | 0.079 | 48% | 0.481 | C | S | . | . | trans | -75 | 136.3 | 177.3 | -68.1 | 174 | 0 | 0 | 0 | 110.4 | V70 G72 V74 L97 V160 V175 | V70-L197 HydrophobicContact CG1-CB 3.91Å; G72-L197 WeakPolarHBondContact O-CB 3.38Å; G72-L197 PolarHBondContact O-N 3.13Å; V74-L197 HydrophobicContact CB-CD2 4.25Å; V74-L197 HydrophobicContact CG1-CD2 3.81Å; L97-L197 HydrophobicContact CD2-CD1 3.31Å; V160-L197 HydrophobicContact CB-CD1 4.39Å; V160-L197 HydrophobicContact CG2-CD1 4Å; V160-L197 HydrophobicContact CG2-CD2 3.66Å; V175-L197 HydrophobicContact CG2-CD2 4.15Å | ||
| 198 | K | 92.7 | Very high | 70.9 | Confident | 145 Ų | 145 | 93 Ų | 93 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | B | Isolated β-bridge | trans | -111.7 | 149.6 | 177.8 | -62.6 | 180 | -178 | 177.8 | 0 | 110.5 | G173 E174 | G173-K198 WeakPolarHBondContact CA-O 2.9Å; E174-K198 PolarHBondContact N-O 3.44Å; E174-K198 PolarHBondContact O-N 2.99Å |
| 199 | R | 85 | Confident | 69.7 | Low | 149 Ų | 149 | 90.6 Ų | 90.6 | 56% | 0.562 | 47% | 0.474 | S | S | * | . | trans | -61.5 | 145.5 | 163 | -78.3 | -164.8 | 178.1 | 135 | -8.4 | 108.4 | L68 E69 V70 T201 | L68-R199 PolarHBondContact O-NE 3.06Å; E69-R199 VanDerWaalsContact CA-NH2 3.34Å; V70-R199 HydrophobicContact CB-CG 3.63Å; V70-R199 HydrophobicContact CG2-CB 4.37Å; V70-R199 HydrophobicContact CG2-CG 3.55Å; R199-T201 PolarHBondContact O-N 2.85Å | ||
| 200 | K | 71.3 | Confident | 69 | Low | 34 Ų | 34 | 94.8 Ų | 94.8 | 15% | 0.148 | 50% | 0.497 | C | S | . | . | trans | -73.6 | 107.3 | 164.2 | -171.6 | 173.7 | -137 | 104.5 | 0 | 107.8 | V60 F65 F171 E174 | V60-K200 WeakPolarHBondContact O-CD 3.38Å; V60-K200 WeakPolarHBondContact O-CE 3.23Å; V60-K200 PolarHBondContact O-NZ 3.46Å; F65-K200 HydrophobicContact CD2-CB 3.82Å; F65-K200 HydrophobicContact CD2-CD 4.01Å; F65-K200 HydrophobicContact CD2-CG 4.31Å; F65-K200 HydrophobicContact CE1-CD 4.08Å; F65-K200 HydrophobicContact CE2-CB 3.78Å; F65-K200 HydrophobicContact CE2-CD 3.07Å; F65-K200 HydrophobicContact CE2-CG 3.79Å; F65-K200 HydrophobicContact CG-CB 4.37Å; F65-K200 HydrophobicContact CZ-CB 4.26Å; F65-K200 HydrophobicContact CZ-CD 3.12Å; F65-K200 HydrophobicContact CZ-CG 4.22Å; F171-K200 HydrophobicContact CE1-CB 4.27Å; F171-K200 HydrophobicContact CZ-CB 4.1Å; E174-K200 WeakPolarHBondContact OE1-CB 2.94Å; E174-K200 VanDerWaalsContact OE1-CG 3.25Å; E174-K200 WeakPolarHBondContact OE1-CG 3.43Å; E174-K200 IonicContact OE1-NZ 3.79Å; E174-K200 PolarHBondContact OE1-NZ 3.09Å; E174-K200 VanDerWaalsContact OE1-NZ 3.16Å; E174-K200 IonicContact OE2-NZ 3.9Å; E174-K200 PolarHBondContact OE2-NZ 3.31Å | ||
| 201 | T | 50.8 | Low | 69.1 | Low | 109 Ų | 109 | 90.7 Ų | 90.7 | 67% | 0.669 | 48% | 0.478 | S | S | * | . | trans | -66.6 | 132 | 161.3 | -43.8 | 0 | 0 | 0 | 0 | 106 | R199 | R199-T201 PolarHBondContact O-N 2.85Š| ||
| 202 | A | 44.9 | Very low | 69.2 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 44% | 0.438 | 45% | 0.451 | S | S | . | . | trans | -45 | 139.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | V204 L370 | A202-V204 VanDerWaalsContact C-N 3.35Å; A202-V204 PolarHBondContact O-N 2.83Å; A202-L370 HydrophobicContact CB-CD1 4.33Å | ||
| 203 | P | 41.3 | Very low | 69.3 | Low | 79 Ų | 79 | 85.6 Ų | 85.6 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | trans | -54.4 | 106.9 | -178.6 | -15.2 | 26.4 | 0 | 0 | 0 | 107 | A205 L206 | P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 3.05Å; P203-L206 HydrophobicContact CB-CB 4.4Å | ||
| 204 | V | 34.1 | Very low | 69.5 | Low | 125 Ų | 125 | 82.5 Ų | 82.5 | 76% | 0.758 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -54 | 111.7 | 159 | 172.8 | 0 | 0 | 0 | 0 | 102.2 | A202 L206 | A202-V204 VanDerWaalsContact C-N 3.35Å; A202-V204 PolarHBondContact O-N 2.83Å; V204-L206 PolarHBondContact O-N 2.84Å |
| 205 | A | 32.5 | Very low | 69.6 | Low | 79 Ų | 79 | 80.2 Ų | 80.2 | 65% | 0.653 | 43% | 0.433 | S | S | * | . | trans | 0.5 | 90.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P203 E207 | P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 3.05Å; A205-E207 PolarHBondContact O-N 2.87Å | ||
| 206 | L | 38.2 | Very low | 69.6 | Low | 126 Ų | 126 | 78.5 Ų | 78.5 | 66% | 0.66 | 43% | 0.426 | S | S | * | . | trans | -68.9 | 88.4 | 167 | -148 | 99.6 | 0 | 0 | 0 | 104.1 | P203 V204 T208 | P203-L206 HydrophobicContact CB-CB 4.4Å; V204-L206 PolarHBondContact O-N 2.84Å; L206-T208 PolarHBondContact O-N 3.46Å | ||
| 207 | E | 38.7 | Very low | 69.7 | Low | 157 Ų | 157 | 74.5 Ų | 74.5 | 73% | 0.734 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | 131.4 | 168.4 | -60.2 | -166.8 | 157 | 0 | 0 | 106.9 | A205 | A205-E207 PolarHBondContact O-N 2.87Š|
| 208 | T | 46.3 | Very low | 69.8 | Low | 140 Ų | 140 | 73.8 Ų | 73.8 | 86% | 0.859 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 29.4 | 159.6 | 62.7 | 0 | 0 | 0 | 0 | 121.1 | L206 N210 | L206-T208 PolarHBondContact O-N 3.46Å; T208-N210 PolarHBondContact O-N 2.96Å |
| 209 | E | 56 | Low | 70 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | trans | -84.8 | 95.9 | 145 | -84.4 | -169 | -178.4 | 0 | 0 | 108.6 | R211 | E209-R211 WeakPolarHBondContact O-CG 3.37Å; E209-R211 PolarHBondContact O-N 3Å; E209-R211 IonicContact OE2-CZ 2.82Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 2.93Å; E209-R211 IonicContact OE2-NH2 3.25Å; E209-R211 PolarHBondContact OE2-NH2 2.86Å | ||
| 210 | N | 68.6 | Low | 70.6 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | trans | -54.8 | 107 | 172 | -176.9 | 4.5 | 0 | 0 | 0 | 109.2 | T208 G212 | T208-N210 PolarHBondContact O-N 2.96Å; N210-G212 VanDerWaalsContact C-N 3.32Å; N210-G212 WeakPolarHBondContact OD1-CA 3.33Å; N210-G212 PolarHBondContact OD1-N 2.92Å | ||
| 211 | R | 84.8 | Confident | 71.7 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 6% | 0.06 | 35% | 0.35 | C | S | . | . | trans | -96.2 | 10.5 | 176 | -60.6 | -53.4 | -173.1 | 117 | -9 | 112.2 | E209 P247 L319 L366 M368 | E209-R211 WeakPolarHBondContact O-CG 3.37Å; E209-R211 PolarHBondContact O-N 3Å; E209-R211 IonicContact OE2-CZ 2.82Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 2.93Å; E209-R211 IonicContact OE2-NH2 3.25Å; E209-R211 PolarHBondContact OE2-NH2 2.86Å; R211-P247 VanDerWaalsContact O-CD 3.29Å; R211-P247 WeakPolarHBondContact O-CD 3.3Å; R211-L319 WeakPolarHBondContact CD-O 3.27Å; R211-L319 PolarHBondContact NH1-O 2.88Å; R211-L366 HydrophobicContact CB-CB 3.84Å; R211-L366 WeakPolarHBondContact CB-O 3.21Å; R211-L366 WeakPolarHBondContact O-CD1 3.42Å; R211-M368 PolarHBondContact NH1-SD 3.49Å | ||
| 212 | G | 91.7 | Very high | 73.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | trans | 81.7 | -177.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N210 L244 D245 L366 | N210-G212 VanDerWaalsContact C-N 3.32Å; N210-G212 WeakPolarHBondContact OD1-CA 3.33Å; N210-G212 PolarHBondContact OD1-N 2.92Å; G212-L244 CarbonylContact C-O 3.49Å; G212-L244 WeakPolarHBondContact CA-O 3.36Å; G212-D245 WeakPolarHBondContact CA-O 2.97Å; G212-L366 WeakPolarHBondContact O-CB 3.48Å; G212-L366 PolarHBondContact O-N 3.22Å | ||
| 213 | E | 96.6 | Very high | 75.6 | Confident | 86 Ų | 86 | 59.2 Ų | 59.2 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 156.5 | 179.2 | -58.4 | 178.8 | 164.9 | 0 | 0 | 109.4 | C243 L244 T363 L364 | E213-C243 CarbonylContact O-C 3.46Å; E213-C243 WeakPolarHBondContact O-CA 3.23Å; E213-C243 WeakPolarHBondContact O-CB 3.38Å; E213-L244 HydrophobicContact CB-CB 4.45Å; E213-L244 PolarHBondContact N-O 3.49Å; E213-L244 PolarHBondContact O-N 3.18Å; E213-T363 HydrophobicContact CB-CG2 3.7Å; E213-T363 HydrophobicContact CG-CG2 4.41Å; E213-T363 VanDerWaalsContact OE2-CG2 3.23Å; E213-T363 WeakPolarHBondContact OE2-CG2 3.21Å; E213-L364 CarbonylContact C-O 3.39Å; E213-L364 WeakPolarHBondContact CA-O 3.19Å |
| 214 | M | 98.2 | Very high | 77.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.3 | 170.5 | 178.7 | -177.3 | -66.3 | 0 | 0 | 109.4 | L216 V240 V258 L306 V308 L322 T363 L364 L366 | M214-L216 HydrophobicContact CG-CD2 4.11Å; M214-L216 HydrophobicContact SD-CD2 4.38Å; M214-V240 HydrophobicContact SD-CG1 4.21Å; M214-V258 HydrophobicContact CE-CG1 3.91Å; M214-V258 HydrophobicContact CE-CG2 3.87Å; M214-L306 HydrophobicContact CE-CB 4.44Å; M214-L306 HydrophobicContact SD-CB 4.3Å; M214-L306 HydrophobicContact SD-CD1 3.97Å; M214-V308 HydrophobicContact CE-CG2 3.39Å; M214-L322 HydrophobicContact CB-CD1 3.98Å; M214-L322 HydrophobicContact CG-CD1 4.39Å; M214-L322 HydrophobicContact SD-CD1 4.03Å; M214-T363 WeakPolarHBondContact O-CA 3.17Å; M214-L364 PolarHBondContact N-O 3.03Å; M214-L364 PolarHBondContact O-N 3.47Å; M214-L366 HydrophobicContact CB-CD2 4.01Å; M214-L366 HydrophobicContact CB-CG 4.42Å; M214-L366 HydrophobicContact CE-CD2 4.22Å |
| 215 | K | 98.5 | Very high | 78.6 | Confident | 62 Ų | 62 | 57.5 Ų | 57.5 | 27% | 0.27 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.6 | 170 | -172.7 | 177.8 | 178.3 | 177.8 | 0 | 109.2 | K241 E242 E361 A362 | K215-K241 HydrophobicContact CG-CD 4.32Å; K215-K241 WeakPolarHBondContact O-CB 3.44Å; K215-K241 PolarHBondContact O-N 2.91Å; K215-E242 HydrophobicContact CB-CG 3.89Å; K215-E242 HydrophobicContact CD-CG 4.27Å; K215-E242 WeakPolarHBondContact CD-OE1 3.29Å; K215-E242 PolarHBondContact N-O 3.03Å; K215-E242 IonicContact NZ-OE1 3.73Å; K215-E242 PolarHBondContact O-N 3.27Å; K215-E361 WeakPolarHBondContact CE-OE1 3.17Å; K215-E361 IonicContact NZ-OE1 3.92Å; K215-A362 WeakPolarHBondContact CA-O 3.47Å |
| 216 | L | 98.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 164.7 | -177.6 | 69.8 | 149.7 | 0 | 0 | 0 | 111.5 | M214 L218 W239 L306 L322 I324 L348 E361 A362 L364 | M214-L216 HydrophobicContact CG-CD2 4.11Å; M214-L216 HydrophobicContact SD-CD2 4.38Å; L216-L218 HydrophobicContact CD1-CD2 3.97Å; L216-L218 HydrophobicContact CD1-CG 4.36Å; L216-W239 CarbonylContact C-O 3.58Å; L216-W239 WeakPolarHBondContact CA-O 3.45Å; L216-W239 WeakPolarHBondContact CB-O 3.22Å; L216-L306 HydrophobicContact CD1-CD1 3.72Å; L216-L322 HydrophobicContact CD2-CD1 3.92Å; L216-I324 HydrophobicContact CD1-CD1 3.49Å; L216-I324 VanDerWaalsContact CD1-CD1 3.49Å; L216-I324 HydrophobicContact CD2-CD1 4.4Å; L216-L348 HydrophobicContact CD1-CD2 4.32Å; L216-L348 HydrophobicContact CG-CD2 4.36Å; L216-E361 WeakPolarHBondContact O-CA 3.11Å; L216-A362 PolarHBondContact N-O 2.97Å; L216-A362 PolarHBondContact O-N 3.33Å; L216-A362 VanDerWaalsContact O-O 3.13Å; L216-L364 HydrophobicContact CD2-CD1 4.24Å |
| 217 | A | 98.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | W239 W359 V360 E361 | A217-W239 HydrophobicContact CB-CB 4.4Å; A217-W239 HydrophobicContact CB-CE3 4.23Å; A217-W239 PolarHBondContact N-O 2.99Å; A217-W239 PolarHBondContact O-N 2.79Å; A217-W359 HydrophobicContact CB-CE3 3.64Å; A217-W359 HydrophobicContact CB-CZ3 4.21Å; A217-W359 WeakPolarHBondContact O-CZ3 3.2Å; A217-V360 CarbonylContact C-O 3.53Å; A217-V360 WeakPolarHBondContact CA-O 3.37Å; A217-V360 WeakPolarHBondContact CB-O 3.29Å; A217-E361 HydrophobicContact CB-CB 4.1Å |
| 218 | L | 98.4 | Very high | 82 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.7 | 176.1 | -57.4 | -176.1 | 0 | 0 | 0 | 110.3 | L216 H237 I238 I324 L348 W349 M352 W359 V360 | L216-L218 HydrophobicContact CD1-CD2 3.97Å; L216-L218 HydrophobicContact CD1-CG 4.36Å; L218-H237 WeakPolarHBondContact CA-O 3.31Å; L218-I238 HydrophobicContact CD2-CB 4.07Å; L218-I238 HydrophobicContact CD2-CG1 3.78Å; L218-I238 HydrophobicContact CD2-CG2 3.83Å; L218-I324 HydrophobicContact CD1-CG2 3.85Å; L218-L348 HydrophobicContact CD1-CD2 4Å; L218-L348 HydrophobicContact CD1-CG 4Å; L218-L348 HydrophobicContact CG-CD2 4.22Å; L218-L348 HydrophobicContact CG-CG 4.41Å; L218-W349 HydrophobicContact CD1-CE3 3.87Å; L218-W349 HydrophobicContact CD1-CZ3 4.19Å; L218-M352 HydrophobicContact CB-CB 4.23Å; L218-M352 HydrophobicContact CB-CG 3.94Å; L218-M352 HydrophobicContact CB-SD 3.61Å; L218-M352 HydrophobicContact CD1-SD 4.22Å; L218-W359 WeakPolarHBondContact O-CA 3.16Å; L218-V360 HydrophobicContact CB-CG2 4.1Å; L218-V360 PolarHBondContact N-O 3.35Å; L218-V360 WeakPolarHBondContact O-CG2 3.37Å; L218-V360 PolarHBondContact O-N 3.07Å |
| 219 | Q | 97.9 | Very high | 82.9 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 133.5 | 171.9 | 179.6 | -173.2 | 43.6 | 0 | 0 | 109 | V221 H237 N357 W359 | Q219-V221 HydrophobicContact CG-CG2 3.83Å; Q219-H237 HydrophobicContact CB-CB 4.24Å; Q219-H237 PolarHBondContact N-O 2.63Å; Q219-H237 PolarHBondContact O-N 3.2Å; Q219-N357 PolarHBondContact NE2-O 2.82Å; Q219-W359 HydrophobicContact CB-CD2 3.73Å; Q219-W359 HydrophobicContact CB-CE3 3.72Å; Q219-W359 HydrophobicContact CB-CG 4.24Å; Q219-W359 HydrophobicContact CB-CH2 4.33Å; Q219-W359 HydrophobicContact CB-CZ2 4.3Å; Q219-W359 HydrophobicContact CB-CZ3 4.03Å |
| 220 | Y | 96.4 | Very high | 83.3 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.6 | 167.2 | 177.3 | -118.5 | 0 | 0 | 0 | 109.5 | P222 E235 V236 F294 L299 N357 | Y220-P222 HydrophobicContact CD1-CG 4.08Å; Y220-P222 HydrophobicContact CE1-CB 4.32Å; Y220-P222 HydrophobicContact CE1-CG 3.69Å; Y220-E235 CarbonylContact C-O 3.53Å; Y220-E235 WeakPolarHBondContact CA-O 3.41Å; Y220-E235 WeakPolarHBondContact CD2-O 3.2Å; Y220-V236 HydrophobicContact CD2-CG2 3.97Å; Y220-F294 HydrophobicContact CE2-CB 4.21Å; Y220-L299 HydrophobicContact CD1-CD1 3.85Å; Y220-L299 HydrophobicContact CD2-CD1 4.11Å; Y220-L299 HydrophobicContact CD2-CD2 3.95Å; Y220-L299 HydrophobicContact CE1-CD1 3.68Å; Y220-L299 HydrophobicContact CE2-CD1 3.96Å; Y220-L299 HydrophobicContact CE2-CD2 4.09Å; Y220-L299 HydrophobicContact CE2-CG 4.39Å; Y220-L299 HydrophobicContact CG-CD1 4.06Å; Y220-L299 HydrophobicContact CG-CD2 4.45Å; Y220-N357 PolarHBondContact O-N 3.09Å |
| 221 | V | 95.4 | Very high | 83 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 98.6 | -179.6 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | Q219 G234 E235 | Q219-V221 HydrophobicContact CG-CG2 3.83Å; V221-G234 CarbonylContact O-C 3.16Å; V221-G234 WeakPolarHBondContact O-CA 3.34Å; V221-E235 HydrophobicContact CB-CB 4.44Å; V221-E235 PolarHBondContact N-O 3.28Å; V221-E235 PolarHBondContact O-N 2.92Å |
| 222 | P | 92.4 | Very high | 82.8 | Confident | 30 Ų | 30 | 66 Ų | 66 | 20% | 0.195 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 139.3 | 173.1 | -17.7 | 28.5 | 0 | 0 | 0 | 110.5 | Y220 P231 P356 | Y220-P222 HydrophobicContact CD1-CG 4.08Å; Y220-P222 HydrophobicContact CE1-CB 4.32Å; Y220-P222 HydrophobicContact CE1-CG 3.69Å; P222-P231 HydrophobicContact CB-CB 3.97Å; P222-P231 HydrophobicContact CB-CG 3.92Å; P222-P356 HydrophobicContact CG-CB 4.03Å |
| 223 | E | 85 | Confident | 82.8 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | trans | -61.3 | 135 | 174.3 | -81 | -177.2 | -151.5 | 0 | 0 | 110.3 | S225 P231 T233 | E223-S225 PolarHBondContact O-N 3.39Å; E223-S225 VanDerWaalsContact O-N 3.11Å; E223-P231 VanDerWaalsContact O-CB 3.28Å; E223-P231 WeakPolarHBondContact O-CB 3.37Å; E223-P231 WeakPolarHBondContact O-CG 3.08Å; E223-T233 VanDerWaalsContact CB-O 3.29Å; E223-T233 WeakPolarHBondContact CB-O 3.23Å; E223-T233 PolarHBondContact N-O 2.94Å; E223-T233 PolarHBondContact OE1-OG1 2.78Å; E223-T233 PolarHBondContact OE2-OG1 3.4Å | ||
| 224 | P | 72.9 | Confident | 82.6 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 77% | 0.773 | 35% | 0.351 | S | S | * | . | trans | -65.2 | 115.6 | 173.3 | 25.5 | -31.2 | 0 | 0 | 0 | 109.2 | P226 | P224-P226 VanDerWaalsContact O-CD 3.28Å; P224-P226 WeakPolarHBondContact O-CD 3.39Å | ||
| 225 | S | 65 | Low | 82.5 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | trans | -76.1 | 122.2 | 176.1 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | E223 G227 K229 | E223-S225 PolarHBondContact O-N 3.39Å; E223-S225 VanDerWaalsContact O-N 3.11Å; S225-G227 VanDerWaalsContact C-N 3.3Å; S225-G227 PolarHBondContact O-N 3.11Å; S225-G227 PolarHBondContact OG-O 3.33Å; S225-K229 WeakPolarHBondContact CB-O 3.19Å; S225-K229 PolarHBondContact OG-O 3.17Å | ||
| 226 | P | 59.1 | Low | 82.4 | Confident | 140 Ų | 140 | 63.6 Ų | 63.6 | 91% | 0.909 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -71.2 | 90.1 | 167.8 | 26.1 | -29.5 | 0 | 0 | 0 | 109.1 | P224 | P224-P226 VanDerWaalsContact O-CD 3.28Å; P224-P226 WeakPolarHBondContact O-CD 3.39Å |
| 227 | G | 64 | Low | 82.4 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 121.1 | 173.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S225 K229 | S225-G227 VanDerWaalsContact C-N 3.3Å; S225-G227 PolarHBondContact O-N 3.11Å; S225-G227 PolarHBondContact OG-O 3.33Å; G227-K229 PolarHBondContact O-N 2.96Å |
| 228 | K | 57.7 | Low | 82.4 | Confident | 224 Ų | 224 | 65 Ų | 65 | 97% | 0.974 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -62.7 | 17.3 | 179.4 | -71.3 | -174.2 | 176.8 | -179.1 | 0 | 115.4 | ||
| 229 | K | 64.8 | Low | 82.4 | Confident | 174 Ų | 174 | 68.8 Ų | 68.8 | 76% | 0.757 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -88.5 | 144.3 | 175 | -67 | -173.6 | 177.6 | -177.9 | 0 | 108.8 | S225 G227 | S225-K229 WeakPolarHBondContact CB-O 3.19Å; S225-K229 PolarHBondContact OG-O 3.17Å; G227-K229 PolarHBondContact O-N 2.96Å |
| 230 | L | 64.7 | Low | 82.4 | Confident | 149 Ų | 149 | 67.6 Ų | 67.6 | 78% | 0.78 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 149.3 | 172.1 | -93.5 | 78.1 | 0 | 0 | 0 | 110 | T232 | L230-T232 PolarHBondContact O-N 3.29Š|
| 231 | P | 63.2 | Low | 82.5 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 29% | 0.286 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 127.5 | 167.9 | -26.8 | 35.4 | 0 | 0 | 0 | 110.4 | P222 E223 | P222-P231 HydrophobicContact CB-CB 3.97Å; P222-P231 HydrophobicContact CB-CG 3.92Å; E223-P231 VanDerWaalsContact O-CB 3.28Å; E223-P231 WeakPolarHBondContact O-CB 3.37Å; E223-P231 WeakPolarHBondContact O-CG 3.08Å |
| 232 | T | 80 | Confident | 82.7 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 63% | 0.632 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -81.2 | -27.5 | 177.2 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | L230 | L230-T232 PolarHBondContact O-N 3.29Š|
| 233 | T | 90.8 | Very high | 82.9 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 16% | 0.16 | 36% | 0.363 | C | S | . | . | trans | -148.6 | 172.1 | -174.1 | 40.4 | 0 | 0 | 0 | 0 | 109.7 | E223 F294 R295 | E223-T233 VanDerWaalsContact CB-O 3.29Å; E223-T233 WeakPolarHBondContact CB-O 3.23Å; E223-T233 PolarHBondContact N-O 2.94Å; E223-T233 PolarHBondContact OE1-OG1 2.78Å; E223-T233 PolarHBondContact OE2-OG1 3.4Å; T233-F294 CarbonylContact C-O 3.28Å; T233-F294 VanDerWaalsContact C-O 3.28Å; T233-F294 WeakPolarHBondContact CA-O 3.49Å; T233-R295 HydrophobicContact CG2-CG 4.26Å | ||
| 234 | G | 93.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V221 G293 F294 | V221-G234 CarbonylContact O-C 3.16Å; V221-G234 WeakPolarHBondContact O-CA 3.34Å; G234-G293 PolarHBondContact O-N 3.38Å; G234-F294 PolarHBondContact N-O 2.83Å; G234-F294 PolarHBondContact O-N 3.25Å |
| 235 | E | 95.8 | Very high | 84.5 | Confident | 71 Ų | 71 | 65 Ų | 65 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.5 | -179.9 | -59.6 | 178.3 | 165.6 | 0 | 0 | 110.5 | Y220 V221 H237 V290 Y291 D292 | Y220-E235 CarbonylContact C-O 3.53Å; Y220-E235 WeakPolarHBondContact CA-O 3.41Å; Y220-E235 WeakPolarHBondContact CD2-O 3.2Å; V221-E235 HydrophobicContact CB-CB 4.44Å; V221-E235 PolarHBondContact N-O 3.28Å; V221-E235 PolarHBondContact O-N 2.92Å; E235-H237 IonicContact OE2-CD2 3.53Å; E235-H237 IonicContact OE2-CE1 3.23Å; E235-H237 IonicContact OE2-NE2 2.98Å; E235-H237 PolarHBondContact OE2-NE2 3.17Å; E235-V290 HydrophobicContact CB-CG1 4.17Å; E235-V290 HydrophobicContact CG-CG1 4.45Å; E235-Y291 CarbonylContact C-O 3.5Å; E235-Y291 VanDerWaalsContact CA-O 3.27Å; E235-Y291 WeakPolarHBondContact CA-O 3.45Å; E235-D292 HydrophobicContact CG-CB 4.36Å |
| 236 | V | 96.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.3 | 166.3 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | Y220 I238 Y291 F294 L299 W349 M352 | Y220-V236 HydrophobicContact CD2-CG2 3.97Å; V236-I238 HydrophobicContact CG1-CD1 3.88Å; V236-I238 HydrophobicContact CG1-CG1 4.19Å; V236-Y291 PolarHBondContact N-O 2.74Å; V236-Y291 PolarHBondContact O-N 3.04Å; V236-F294 HydrophobicContact CB-CD2 4.13Å; V236-F294 HydrophobicContact CB-CE2 3.73Å; V236-F294 HydrophobicContact CB-CZ 4.01Å; V236-F294 HydrophobicContact CG2-CD1 3.96Å; V236-F294 HydrophobicContact CG2-CD2 3.63Å; V236-F294 HydrophobicContact CG2-CE1 3.94Å; V236-F294 HydrophobicContact CG2-CE2 3.61Å; V236-F294 HydrophobicContact CG2-CG 3.79Å; V236-F294 HydrophobicContact CG2-CZ 3.75Å; V236-L299 HydrophobicContact CG2-CD2 3.84Å; V236-W349 HydrophobicContact CG1-CH2 4.37Å; V236-W349 HydrophobicContact CG1-CZ3 4.42Å; V236-M352 HydrophobicContact CG1-SD 4.08Å |
| 237 | H | 98.1 | Very high | 87 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 15% | 0.148 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.9 | 177.8 | -68.2 | -126.5 | 0 | 0 | 0 | 109.1 | L218 Q219 E235 W359 | L218-H237 WeakPolarHBondContact CA-O 3.31Å; Q219-H237 HydrophobicContact CB-CB 4.24Å; Q219-H237 PolarHBondContact N-O 2.63Å; Q219-H237 PolarHBondContact O-N 3.2Å; E235-H237 IonicContact OE2-CD2 3.53Å; E235-H237 IonicContact OE2-CE1 3.23Å; E235-H237 IonicContact OE2-NE2 2.98Å; E235-H237 PolarHBondContact OE2-NE2 3.17Å; H237-W359 HydrophobicContact CB-CH2 3.58Å; H237-W359 HydrophobicContact CB-CZ2 4.13Å; H237-W359 HydrophobicContact CB-CZ3 4.18Å |
| 238 | I | 98.5 | Very high | 88 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 106.4 | -179 | -55.8 | 98.2 | 0 | 0 | 0 | 108.7 | L218 V236 V240 I262 T288 M289 Y291 V304 L306 | L218-I238 HydrophobicContact CD2-CB 4.07Å; L218-I238 HydrophobicContact CD2-CG1 3.78Å; L218-I238 HydrophobicContact CD2-CG2 3.83Å; V236-I238 HydrophobicContact CG1-CD1 3.88Å; V236-I238 HydrophobicContact CG1-CG1 4.19Å; I238-V240 HydrophobicContact CG2-CG2 4.27Å; I238-I262 HydrophobicContact CD1-CD1 4.37Å; I238-T288 CarbonylContact O-C 3.35Å; I238-T288 WeakPolarHBondContact O-CA 3.37Å; I238-M289 PolarHBondContact N-O 3.35Å; I238-M289 PolarHBondContact O-N 3.37Å; I238-Y291 HydrophobicContact CD1-CD2 3.5Å; I238-Y291 HydrophobicContact CD1-CE2 3.86Å; I238-V304 HydrophobicContact CD1-CG2 4.48Å; I238-V304 HydrophobicContact CG1-CG1 4.28Å; I238-V304 HydrophobicContact CG1-CG2 4.2Å; I238-L306 HydrophobicContact CG2-CD1 4.15Å; I238-L306 HydrophobicContact CG2-CD2 4.29Å |
| 239 | W | 98.6 | Very high | 88.6 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 30% | 0.295 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 100.6 | 177.9 | -177.4 | 15.2 | 0 | 0 | 0 | 110.7 | L216 A217 K241 W359 | L216-W239 CarbonylContact C-O 3.58Å; L216-W239 WeakPolarHBondContact CA-O 3.45Å; L216-W239 WeakPolarHBondContact CB-O 3.22Å; A217-W239 HydrophobicContact CB-CB 4.4Å; A217-W239 HydrophobicContact CB-CE3 4.23Å; A217-W239 PolarHBondContact N-O 2.99Å; A217-W239 PolarHBondContact O-N 2.79Å; W239-K241 HydrophobicContact CD2-CG 4.11Å; W239-K241 HydrophobicContact CG-CG 4.25Å; W239-K241 HydrophobicContact CZ2-CG 4.43Å; W239-K241 PolarHBondContact O-N 2.87Å; W239-W359 HydrophobicContact CB-CE3 4.37Å; W239-W359 HydrophobicContact CB-CH2 3.78Å; W239-W359 HydrophobicContact CB-CZ3 3.53Å; W239-W359 HydrophobicContact CE3-CE3 4.49Å |
| 240 | V | 98.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 109.5 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | M214 I238 V258 F285 N286 H287 M289 L306 | M214-V240 HydrophobicContact SD-CG1 4.21Å; I238-V240 HydrophobicContact CG2-CG2 4.27Å; V240-V258 HydrophobicContact CG1-CB 4.37Å; V240-V258 HydrophobicContact CG1-CG1 4.47Å; V240-V258 HydrophobicContact CG1-CG2 4.02Å; V240-V258 HydrophobicContact CG2-CG1 4.46Å; V240-F285 HydrophobicContact CG1-CB 4.25Å; V240-F285 HydrophobicContact CG1-CD2 3.88Å; V240-F285 HydrophobicContact CG1-CG 4.32Å; V240-N286 WeakPolarHBondContact O-CA 3.28Å; V240-N286 PolarHBondContact O-N 3.36Å; V240-H287 PolarHBondContact N-O 3.16Å; V240-H287 PolarHBondContact O-N 2.77Å; V240-M289 HydrophobicContact CG2-CE 4.01Å; V240-L306 HydrophobicContact CG2-CD2 3.93Å |
| 241 | K | 98.4 | Very high | 89 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -65.3 | -175.7 | -57.8 | -170.6 | -179.6 | -168.3 | 0 | 111.2 | K215 W239 V284 F285 N286 E361 | K215-K241 HydrophobicContact CG-CD 4.32Å; K215-K241 WeakPolarHBondContact O-CB 3.44Å; K215-K241 PolarHBondContact O-N 2.91Å; W239-K241 HydrophobicContact CD2-CG 4.11Å; W239-K241 HydrophobicContact CG-CG 4.25Å; W239-K241 HydrophobicContact CZ2-CG 4.43Å; W239-K241 PolarHBondContact O-N 2.87Å; K241-V284 CarbonylContact O-C 3.36Å; K241-F285 PolarHBondContact O-N 3.25Å; K241-N286 PolarHBondContact O-N 3.37Å; K241-E361 IonicContact NZ-OE1 3.74Å; K241-E361 PolarHBondContact NZ-OE1 2.77Å; K241-E361 IonicContact NZ-OE2 3.33Å; K241-E361 PolarHBondContact NZ-OE2 3.29Å |
| 242 | E | 98.2 | Very high | 89.7 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 161.3 | -175.3 | 61.7 | -170.9 | 147.6 | 0 | 0 | 111.6 | K215 P283 V284 | K215-E242 HydrophobicContact CB-CG 3.89Å; K215-E242 HydrophobicContact CD-CG 4.27Å; K215-E242 WeakPolarHBondContact CD-OE1 3.29Å; K215-E242 PolarHBondContact N-O 3.03Å; K215-E242 IonicContact NZ-OE1 3.73Å; K215-E242 PolarHBondContact O-N 3.27Å; E242-P283 CarbonylContact C-O 3.59Å; E242-P283 WeakPolarHBondContact CA-O 3.45Å; E242-P283 WeakPolarHBondContact CB-O 3.48Å; E242-V284 HydrophobicContact CB-CB 4.46Å; E242-V284 HydrophobicContact CB-CG2 4.14Å |
| 243 | C | 98 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 150.8 | 161.3 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | E213 L246 N282 P283 | E213-C243 CarbonylContact O-C 3.46Å; E213-C243 WeakPolarHBondContact O-CA 3.23Å; E213-C243 WeakPolarHBondContact O-CB 3.38Å; C243-L246 HydrophobicContact CB-CD1 3.82Å; C243-L246 HydrophobicContact CB-CD2 3.79Å; C243-L246 HydrophobicContact CB-CG 3.75Å; C243-N282 CarbonylContact O-C 3.47Å; C243-N282 WeakPolarHBondContact O-CA 3.09Å; C243-P283 HydrophobicContact CB-CG 3.96Å; C243-P283 PolarHBondContact N-O 2.96Å; C243-P283 WeakPolarHBondContact O-CD 3.2Å |
| 244 | L | 96.4 | Very high | 89.7 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.4 | 179.3 | -57.8 | 172.5 | 0 | 0 | 0 | 109.5 | G212 E213 L246 N282 | G212-L244 CarbonylContact C-O 3.49Å; G212-L244 WeakPolarHBondContact CA-O 3.36Å; E213-L244 HydrophobicContact CB-CB 4.45Å; E213-L244 PolarHBondContact N-O 3.49Å; E213-L244 PolarHBondContact O-N 3.18Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 2.98Å; L244-N282 VanDerWaalsContact CA-OD1 3.28Å; L244-N282 WeakPolarHBondContact CA-OD1 3.08Å |
| 245 | D | 93.6 | Very high | 89.6 | Confident | 101 Ų | 101 | 44.2 Ų | 44.2 | 54% | 0.54 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 51 | 40.8 | 172.3 | -63.5 | -32.2 | 0 | 0 | 0 | 115.5 | G212 N282 | G212-D245 WeakPolarHBondContact CA-O 2.97Å; D245-N282 PolarHBondContact N-OD1 3.05Å |
| 246 | L | 93.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -61.4 | 138.9 | 176.1 | -67.3 | 180 | 0 | 0 | 0 | 111.7 | C243 L244 L248 L254 S256 T281 P283 V308 L319 L366 | C243-L246 HydrophobicContact CB-CD1 3.82Å; C243-L246 HydrophobicContact CB-CD2 3.79Å; C243-L246 HydrophobicContact CB-CG 3.75Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 2.98Å; L246-L248 PolarHBondContact O-N 3.14Å; L246-L254 HydrophobicContact CB-CD1 3.64Å; L246-L254 HydrophobicContact CD1-CD1 4.49Å; L246-S256 WeakPolarHBondContact CD1-OG 3.42Å; L246-T281 WeakPolarHBondContact CB-O 3.47Å; L246-T281 WeakPolarHBondContact CG-O 3.33Å; L246-T281 PolarHBondContact N-O 2.84Å; L246-T281 WeakPolarHBondContact O-CG2 3.27Å; L246-P283 HydrophobicContact CD1-CG 3.55Å; L246-V308 HydrophobicContact CD1-CG1 3.96Å; L246-V308 HydrophobicContact CD2-CG1 4.16Å; L246-L319 HydrophobicContact CB-CD1 4.33Å; L246-L319 HydrophobicContact CD1-CD1 4.01Å; L246-L366 HydrophobicContact CD2-CD1 3.42Å; L246-L366 VanDerWaalsContact CD2-CD1 3.42Å | ||
| 247 | P | 84.4 | Confident | 89.6 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | trans | -73.9 | 130.5 | -175.6 | 28.7 | -35.7 | 0 | 0 | 0 | 112.3 | R211 L249 | R211-P247 VanDerWaalsContact O-CD 3.29Å; R211-P247 WeakPolarHBondContact O-CD 3.3Å; P247-L249 VanDerWaalsContact C-N 3.35Å; P247-L249 HydrophobicContact CB-CD2 3.89Å; P247-L249 HydrophobicContact CB-CG 4.09Å; P247-L249 HydrophobicContact CG-CD1 4.47Å; P247-L249 HydrophobicContact CG-CD2 4.28Å; P247-L249 HydrophobicContact CG-CG 4.15Å; P247-L249 PolarHBondContact O-N 3.02Å | ||
| 248 | L | 84.2 | Confident | 89.6 | Confident | 85 Ų | 85 | 40 Ų | 40 | 45% | 0.445 | 21% | 0.213 | S | C | . | . | trans | -75.3 | 84.9 | 167.2 | -102.3 | 74.9 | 0 | 0 | 0 | 110.5 | L246 S252 L254 T281 | L246-L248 PolarHBondContact O-N 3.14Å; L248-S252 WeakPolarHBondContact CD2-O 3.45Å; L248-L254 HydrophobicContact CD1-CD1 3.94Å; L248-L254 HydrophobicContact CD1-CD2 4.39Å; L248-L254 HydrophobicContact CD1-CG 3.75Å; L248-L254 HydrophobicContact CG-CD2 4.4Å; L248-L254 HydrophobicContact CG-CG 4.23Å; L248-T281 HydrophobicContact CD1-CG2 3.13Å | ||
| 249 | L | 70.6 | Confident | 89.4 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 37% | 0.372 | 23% | 0.226 | S | C | . | . | trans | -82.7 | -27.6 | 179.5 | -58.5 | -179.4 | 0 | 0 | 0 | 112.9 | P247 Q317 L319 | P247-L249 VanDerWaalsContact C-N 3.35Å; P247-L249 HydrophobicContact CB-CD2 3.89Å; P247-L249 HydrophobicContact CB-CG 4.09Å; P247-L249 HydrophobicContact CG-CD1 4.47Å; P247-L249 HydrophobicContact CG-CD2 4.28Å; P247-L249 HydrophobicContact CG-CG 4.15Å; P247-L249 PolarHBondContact O-N 3.02Å; L249-Q317 VanDerWaalsContact CB-CD 3.45Å; L249-Q317 HydrophobicContact CD1-CG 4.25Å; L249-L319 HydrophobicContact CD1-CD2 3.95Å; L249-L319 HydrophobicContact CG-CD2 4.28Å | ||
| 250 | R | 69.5 | Low | 89.3 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -147.5 | 144.2 | 176 | -69.4 | 178.8 | -166.3 | 162.2 | 6.3 | 111.4 | S56 Y312 Q317 | S56-R250 VanDerWaalsContact CB-NH2 3.32Å; S56-R250 PolarHBondContact OG-NH2 2.92Å; R250-Y312 HydrophobicContact CB-CD2 4.33Å; R250-Y312 HydrophobicContact CB-CE2 4.44Å; R250-Q317 VanDerWaalsContact CB-OE1 3.32Å; R250-Q317 VanDerWaalsContact CG-OE1 3.23Å |
| 251 | G | 69.6 | Low | 89.1 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 37% | 0.371 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 78.1 | -173.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 252 | S | 76.5 | Confident | 89 | Confident | 86 Ų | 86 | 39.4 Ų | 39.4 | 60% | 0.601 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -96.9 | -11.5 | 177 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | L248 | L248-S252 WeakPolarHBondContact CD2-O 3.45Š|
| 253 | H | 82.3 | Confident | 88.7 | Confident | 103 Ų | 103 | 37.2 Ų | 37.2 | 48% | 0.477 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -149.2 | 148.5 | -173.8 | -58.8 | -56.4 | 0 | 0 | 0 | 109.4 | ||
| 254 | L | 89.1 | Confident | 88.4 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | -96.1 | 144.3 | 172.4 | -60.4 | 176.4 | 0 | 0 | 0 | 111 | L246 L248 G278 K279 T281 D310 L319 | L246-L254 HydrophobicContact CB-CD1 3.64Å; L246-L254 HydrophobicContact CD1-CD1 4.49Å; L248-L254 HydrophobicContact CD1-CD1 3.94Å; L248-L254 HydrophobicContact CD1-CD2 4.39Å; L248-L254 HydrophobicContact CD1-CG 3.75Å; L248-L254 HydrophobicContact CG-CD2 4.4Å; L248-L254 HydrophobicContact CG-CG 4.23Å; L254-G278 CarbonylContact O-C 3.58Å; L254-G278 WeakPolarHBondContact O-CA 3.2Å; L254-K279 PolarHBondContact O-N 3.38Å; L254-T281 HydrophobicContact CD1-CG2 4.3Å; L254-D310 HydrophobicContact CD2-CB 4.01Å; L254-L319 HydrophobicContact CD1-CD1 4.14Å; L254-L319 HydrophobicContact CD2-CD1 4.48Å; L254-L319 HydrophobicContact CD2-CD2 4.49Å | ||
| 255 | N | 92.1 | Very high | 88.1 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 76.6 | 165.2 | -59.3 | -72.2 | 0 | 0 | 0 | 108.5 | V277 G278 D310 H311 | N255-V277 CarbonylContact C-O 3.52Å; N255-G278 WeakPolarHBondContact OD1-CA 3.21Å; N255-D310 PolarHBondContact N-OD1 3.46Å; N255-H311 HydrophobicContact CB-CB 4.23Å; N255-H311 WeakPolarHBondContact O-CB 3.45Å; N255-H311 PolarHBondContact O-N 2.72Å |
| 256 | S | 94.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 144.4 | -167.3 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | L246 A276 V277 F285 W309 | L246-S256 WeakPolarHBondContact CD1-OG 3.42Å; S256-A276 CarbonylContact O-C 3.46Å; S256-A276 VanDerWaalsContact O-CA 3.3Å; S256-A276 WeakPolarHBondContact O-CA 3.48Å; S256-V277 PolarHBondContact N-O 3.21Å; S256-V277 PolarHBondContact O-N 3.37Å; S256-F285 WeakPolarHBondContact O-CE1 3.32Å; S256-W309 CarbonylContact C-O 3.48Å; S256-W309 WeakPolarHBondContact CA-O 3.44Å |
| 257 | F | 96.7 | Very high | 87.1 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.1 | 169.4 | 66.9 | -80.7 | 0 | 0 | 0 | 110.1 | K259 A276 W309 H311 N316 | F257-K259 HydrophobicContact CD2-CG 4.2Å; F257-K259 HydrophobicContact CE2-CD 4.24Å; F257-K259 HydrophobicContact CE2-CG 3.84Å; F257-A276 HydrophobicContact CB-CB 4.18Å; F257-W309 HydrophobicContact CD1-CB 4.03Å; F257-W309 WeakPolarHBondContact CD1-O 3.46Å; F257-W309 HydrophobicContact CE1-CB 3.53Å; F257-W309 HydrophobicContact CE2-CB 4.08Å; F257-W309 HydrophobicContact CE2-CG 4.34Å; F257-W309 HydrophobicContact CG-CB 4.49Å; F257-W309 HydrophobicContact CZ-CB 3.56Å; F257-W309 HydrophobicContact CZ-CG 4.08Å; F257-W309 PolarHBondContact N-O 2.79Å; F257-W309 PolarHBondContact O-N 2.87Å; F257-H311 HydrophobicContact CD1-CB 4.33Å; F257-H311 HydrophobicContact CE1-CB 4.1Å; F257-N316 HydrophobicContact CZ-CB 4.45Å |
| 258 | V | 97.4 | Very high | 87 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.9 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | M214 V240 K273 T274 F285 L306 T307 V308 | M214-V258 HydrophobicContact CE-CG1 3.91Å; M214-V258 HydrophobicContact CE-CG2 3.87Å; V240-V258 HydrophobicContact CG1-CB 4.37Å; V240-V258 HydrophobicContact CG1-CG1 4.47Å; V240-V258 HydrophobicContact CG1-CG2 4.02Å; V240-V258 HydrophobicContact CG2-CG1 4.46Å; V258-K273 CarbonylContact O-C 3.57Å; V258-K273 WeakPolarHBondContact O-CA 3.26Å; V258-K273 WeakPolarHBondContact O-CB 3.49Å; V258-T274 HydrophobicContact CB-CG2 3.92Å; V258-T274 PolarHBondContact N-OG1 2.85Å; V258-T274 PolarHBondContact O-N 2.86Å; V258-F285 HydrophobicContact CG2-CD2 3.98Å; V258-F285 HydrophobicContact CG2-CE1 4.36Å; V258-F285 HydrophobicContact CG2-CE2 3.56Å; V258-F285 HydrophobicContact CG2-CZ 3.77Å; V258-L306 HydrophobicContact CG1-CB 4.37Å; V258-L306 HydrophobicContact CG1-CD2 3.82Å; V258-T307 CarbonylContact C-O 3.6Å; V258-T307 VanDerWaalsContact CA-O 3.31Å; V258-T307 WeakPolarHBondContact CA-O 3.36Å; V258-V308 HydrophobicContact CG2-CG2 4.22Å |
| 259 | K | 95.9 | Very high | 87 | Confident | 65 Ų | 65 | 56 Ų | 56 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.8 | 166.8 | -56.7 | 177.8 | -171.8 | 166 | 0 | 108.7 | F257 Q272 K273 L306 T307 | F257-K259 HydrophobicContact CD2-CG 4.2Å; F257-K259 HydrophobicContact CE2-CD 4.24Å; F257-K259 HydrophobicContact CE2-CG 3.84Å; K259-Q272 CarbonylContact C-O 3.6Å; K259-Q272 WeakPolarHBondContact CA-O 3.31Å; K259-K273 HydrophobicContact CG-CB 4.19Å; K259-L306 WeakPolarHBondContact O-CA 3.36Å; K259-T307 PolarHBondContact N-O 3.46Å; K259-T307 PolarHBondContact O-N 3.19Å; K259-T307 PolarHBondContact O-OG1 3.36Å |
| 260 | C | 96.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.3 | 173.8 | -174 | 0 | 0 | 0 | 0 | 109.4 | Q272 M289 Y291 E305 L306 | C260-Q272 PolarHBondContact N-O 2.76Å; C260-Q272 PolarHBondContact O-N 2.96Å; C260-M289 HydrophobicContact CB-CE 4.15Å; C260-M289 HydrophobicContact CB-SD 3.2Å; C260-M289 WeakPolarHBondContact CB-SD 3.45Å; C260-Y291 VanDerWaalsContact C-OH 3.22Å; C260-Y291 HydrophobicContact CB-CE2 4.45Å; C260-Y291 PolarHBondContact O-OH 3.38Å; C260-Y291 PolarHBondContact SG-OH 2.91Å; C260-E305 CarbonylContact C-O 3.46Å; C260-E305 WeakPolarHBondContact CA-O 3.41Å; C260-L306 HydrophobicContact CB-CD2 3.67Å |
| 261 | T | 94.5 | Very high | 88.8 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141.3 | 169.9 | -49.2 | 0 | 0 | 0 | 0 | 108.2 | L263 D265 R271 E305 | T261-L263 HydrophobicContact CG2-CD2 4.38Å; T261-D265 VanDerWaalsContact CG2-O 3.31Å; T261-D265 WeakPolarHBondContact CG2-O 2.96Å; T261-R271 HydrophobicContact CG2-CG 4.12Å; T261-E305 PolarHBondContact N-O 3.28Å; T261-E305 PolarHBondContact O-N 2.71Å |
| 262 | I | 94.7 | Very high | 90.1 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.1 | 169.2 | -57.3 | -58.9 | 0 | 0 | 0 | 107.8 | I238 D265 Y291 F294 A302 V304 | I238-I262 HydrophobicContact CD1-CD1 4.37Å; I262-D265 CarbonylContact O-C 3.49Å; I262-D265 WeakPolarHBondContact O-CA 3.31Å; I262-D265 PolarHBondContact O-N 2.94Å; I262-Y291 HydrophobicContact CB-CD1 4.27Å; I262-Y291 HydrophobicContact CB-CE1 4.33Å; I262-Y291 HydrophobicContact CD1-CD1 4.39Å; I262-Y291 HydrophobicContact CD1-CD2 4.04Å; I262-Y291 HydrophobicContact CD1-CE2 4.19Å; I262-Y291 HydrophobicContact CD1-CG 4.14Å; I262-Y291 HydrophobicContact CG1-CD1 3.33Å; I262-Y291 HydrophobicContact CG1-CD2 3.84Å; I262-Y291 HydrophobicContact CG1-CE1 3.51Å; I262-Y291 HydrophobicContact CG1-CE2 4.02Å; I262-Y291 HydrophobicContact CG1-CG 3.48Å; I262-Y291 VanDerWaalsContact CG1-CG 3.48Å; I262-F294 HydrophobicContact CB-CZ 4.39Å; I262-F294 HydrophobicContact CD1-CZ 4.15Å; I262-F294 HydrophobicContact CG1-CZ 4Å; I262-F294 HydrophobicContact CG2-CE1 3.93Å; I262-F294 HydrophobicContact CG2-CZ 3.61Å; I262-A302 HydrophobicContact CG2-CB 4.2Å; I262-V304 HydrophobicContact CD1-CB 4.27Å; I262-V304 HydrophobicContact CD1-CG2 3.49Å; I262-V304 VanDerWaalsContact CD1-CG2 3.49Å |
| 263 | L | 93.6 | Very high | 91 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 141.2 | 172.5 | -58.4 | 176.3 | 0 | 0 | 0 | 108.9 | T261 T266 A302 C303 E305 W338 A372 | T261-L263 HydrophobicContact CG2-CD2 4.38Å; L263-T266 HydrophobicContact CD2-CG2 3.72Å; L263-A302 VanDerWaalsContact O-CA 3.31Å; L263-A302 WeakPolarHBondContact O-CA 3.38Å; L263-C303 HydrophobicContact CB-CB 4.33Å; L263-C303 PolarHBondContact N-O 3.31Å; L263-C303 PolarHBondContact O-N 2.87Å; L263-C303 VanDerWaalsContact O-N 3.09Å; L263-E305 HydrophobicContact CD1-CB 4.11Å; L263-E305 HydrophobicContact CG-CB 4.33Å; L263-W338 HydrophobicContact CB-CD2 4.03Å; L263-W338 HydrophobicContact CB-CE3 3.76Å; L263-W338 HydrophobicContact CB-CH2 4.13Å; L263-W338 HydrophobicContact CB-CZ2 4.43Å; L263-W338 HydrophobicContact CB-CZ3 3.83Å; L263-W338 HydrophobicContact CD1-CB 3.64Å; L263-W338 HydrophobicContact CD1-CD2 3.8Å; L263-W338 HydrophobicContact CD1-CE3 3.86Å; L263-W338 HydrophobicContact CD1-CG 3.73Å; L263-W338 HydrophobicContact CG-CE3 4.47Å; L263-A372 HydrophobicContact CD1-CB 4.36Å |
| 264 | P | 91.8 | Very high | 91.8 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | S | Bend | cis | -85.4 | -2.3 | 12.9 | 33.2 | -36.7 | 0 | 0 | 0 | 116.2 | T266 Y332 W338 | P264-T266 PolarHBondContact O-N 3.19Å; P264-Y332 HydrophobicContact CG-CD2 4.28Å; P264-Y332 HydrophobicContact CG-CE2 3.89Å; P264-W338 HydrophobicContact CB-CH2 4.16Å; P264-W338 HydrophobicContact CB-CZ2 3.88Å |
| 265 | D | 89.4 | Confident | 92.1 | Very high | 78 Ų | 78 | 66.4 Ų | 66.4 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | trans | -72.5 | 89.2 | -179.3 | -174.5 | 6.3 | 0 | 0 | 0 | 112.9 | T261 I262 S267 S270 | T261-D265 VanDerWaalsContact CG2-O 3.31Å; T261-D265 WeakPolarHBondContact CG2-O 2.96Å; I262-D265 CarbonylContact O-C 3.49Å; I262-D265 WeakPolarHBondContact O-CA 3.31Å; I262-D265 PolarHBondContact O-N 2.94Å; D265-S267 VanDerWaalsContact C-N 3.25Å; D265-S267 PolarHBondContact O-N 3.24Å; D265-S267 WeakPolarHBondContact OD1-CA 3.5Å; D265-S267 WeakPolarHBondContact OD1-CB 3.16Å; D265-S267 PolarHBondContact OD1-N 3.03Å; D265-S267 PolarHBondContact OD1-OG 3.23Å; D265-S267 PolarHBondContact OD2-OG 2.86Å; D265-S270 PolarHBondContact O-OG 2.71Å; D265-S270 VanDerWaalsContact OD2-CB 3.27Å; D265-S270 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 266 | T | 82.8 | Confident | 92.2 | Very high | 38 Ų | 38 | 66.6 Ų | 66.6 | 23% | 0.233 | 31% | 0.31 | C | S | . | . | trans | -83.2 | 5.5 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 114 | L263 P264 R271 L374 | L263-T266 HydrophobicContact CD2-CG2 3.72Å; P264-T266 PolarHBondContact O-N 3.19Å; T266-R271 PolarHBondContact O-NE 3.39Å; T266-R271 PolarHBondContact O-NH2 2.96Å; T266-L374 WeakPolarHBondContact OG1-CD2 3.3Å | ||
| 267 | S | 83.6 | Confident | 92.3 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | trans | -57.3 | 153.2 | -178.1 | 78.4 | 0 | 0 | 0 | 0 | 111.4 | D265 K269 S270 R271 | D265-S267 VanDerWaalsContact C-N 3.25Å; D265-S267 PolarHBondContact O-N 3.24Å; D265-S267 WeakPolarHBondContact OD1-CA 3.5Å; D265-S267 WeakPolarHBondContact OD1-CB 3.16Å; D265-S267 PolarHBondContact OD1-N 3.03Å; D265-S267 PolarHBondContact OD1-OG 3.23Å; D265-S267 PolarHBondContact OD2-OG 2.86Å; S267-K269 PolarHBondContact O-N 3.34Å; S267-S270 PolarHBondContact O-OG 3.07Å; S267-S270 PolarHBondContact OG-N 3.32Å; S267-S270 PolarHBondContact OG-OG 2.88Å; S267-R271 WeakPolarHBondContact O-CG 3.14Å | ||
| 268 | R | 81.5 | Confident | 91.9 | Very high | 227 Ų | 227 | 69.3 Ų | 69.3 | 86% | 0.857 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.4 | 176.7 | -74.1 | -171 | 179.7 | 141.1 | 0.6 | 112.9 | ||
| 269 | K | 83.2 | Confident | 91.6 | Very high | 206 Ų | 206 | 77.3 Ų | 77.3 | 90% | 0.896 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -30.3 | -175.8 | -66.2 | -175.3 | 179.3 | -178.1 | 0 | 111.9 | S267 | S267-K269 PolarHBondContact O-N 3.34Š|
| 270 | S | 86.4 | Confident | 91.5 | Very high | 15 Ų | 15 | 76.3 Ų | 76.3 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -29.3 | 177 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | D265 S267 Q272 Y291 | D265-S270 PolarHBondContact O-OG 2.71Å; D265-S270 VanDerWaalsContact OD2-CB 3.27Å; D265-S270 WeakPolarHBondContact OD2-CB 3.48Å; S267-S270 PolarHBondContact O-OG 3.07Å; S267-S270 PolarHBondContact OG-N 3.32Å; S267-S270 PolarHBondContact OG-OG 2.88Å; S270-Q272 PolarHBondContact O-N 3.49Å; S270-Y291 WeakPolarHBondContact O-CE1 3.46Å; S270-Y291 PolarHBondContact O-OH 3.02Å |
| 271 | R | 92.8 | Very high | 91.3 | Very high | 127 Ų | 127 | 78.4 Ų | 78.4 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | trans | -66.8 | 124.8 | -172.1 | -61 | 178.1 | -166.9 | -152.3 | -3.6 | 112.8 | T261 T266 S267 | T261-R271 HydrophobicContact CG2-CG 4.12Å; T266-R271 PolarHBondContact O-NE 3.39Å; T266-R271 PolarHBondContact O-NH2 2.96Å; S267-R271 WeakPolarHBondContact O-CG 3.14Å | ||
| 272 | Q | 96.6 | Very high | 91.4 | Very high | 63 Ų | 63 | 80.8 Ų | 80.8 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 160.1 | 172.5 | -61.9 | -173.6 | 48.9 | 0 | 0 | 110.9 | K259 C260 S270 M289 V290 Y291 | K259-Q272 CarbonylContact C-O 3.6Å; K259-Q272 WeakPolarHBondContact CA-O 3.31Å; C260-Q272 PolarHBondContact N-O 2.76Å; C260-Q272 PolarHBondContact O-N 2.96Å; S270-Q272 PolarHBondContact O-N 3.49Å; Q272-M289 HydrophobicContact CB-CB 4.3Å; Q272-M289 HydrophobicContact CB-CG 4.08Å; Q272-M289 HydrophobicContact CB-SD 3.64Å; Q272-V290 PolarHBondContact NE2-O 3.21Å; Q272-Y291 HydrophobicContact CG-CE2 4.49Å |
| 273 | K | 95.9 | Very high | 91.6 | Very high | 140 Ų | 140 | 80 Ų | 80 | 61% | 0.609 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.5 | 177.2 | 67.9 | 176.9 | -176.7 | 176.1 | 0 | 112.3 | V258 K259 | V258-K273 CarbonylContact O-C 3.57Å; V258-K273 WeakPolarHBondContact O-CA 3.26Å; V258-K273 WeakPolarHBondContact O-CB 3.49Å; K259-K273 HydrophobicContact CG-CB 4.19Å |
| 274 | T | 97.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 83.3 Ų | 83.3 | 5% | 0.049 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 167.1 | 171.4 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | V258 F285 H287 M289 | V258-T274 HydrophobicContact CB-CG2 3.92Å; V258-T274 PolarHBondContact N-OG1 2.85Å; V258-T274 PolarHBondContact O-N 2.86Å; T274-F285 HydrophobicContact CG2-CB 4.22Å; T274-F285 HydrophobicContact CG2-CD1 4.2Å; T274-F285 HydrophobicContact CG2-CG 4.25Å; T274-F285 WeakPolarHBondContact OG1-CD1 3.46Å; T274-H287 HydrophobicContact CG2-CB 3.82Å; T274-M289 HydrophobicContact CG2-CE 3.38Å |
| 275 | R | 96.1 | Very high | 92.1 | Very high | 217 Ų | 217 | 81.5 Ų | 81.5 | 82% | 0.819 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 150.3 | 160.9 | -66.6 | -177.1 | 177.2 | -177.1 | -0 | 109.5 | ||
| 276 | A | 94.9 | Very high | 92.5 | Very high | 64 Ų | 64 | 82.4 Ų | 82.4 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 134 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S256 F257 | S256-A276 CarbonylContact O-C 3.46Å; S256-A276 VanDerWaalsContact O-CA 3.3Å; S256-A276 WeakPolarHBondContact O-CA 3.48Å; F257-A276 HydrophobicContact CB-CB 4.18Å |
| 277 | V | 95.8 | Very high | 93.2 | Very high | 38 Ų | 38 | 83.7 Ų | 83.7 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.7 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | N255 S256 T280 P283 F285 | N255-V277 CarbonylContact C-O 3.52Å; S256-V277 PolarHBondContact N-O 3.21Å; S256-V277 PolarHBondContact O-N 3.37Å; V277-T280 HydrophobicContact CG1-CG2 4.11Å; V277-P283 HydrophobicContact CB-CB 3.79Å; V277-P283 HydrophobicContact CG1-CB 3.77Å; V277-F285 HydrophobicContact CB-CD1 4.44Å; V277-F285 HydrophobicContact CB-CE1 4.12Å; V277-F285 HydrophobicContact CG2-CD1 3.65Å; V277-F285 HydrophobicContact CG2-CE1 3.82Å |
| 278 | G | 90.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 84.5 Ų | 84.5 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 160.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L254 N255 T280 | L254-G278 CarbonylContact O-C 3.58Å; L254-G278 WeakPolarHBondContact O-CA 3.2Å; N255-G278 WeakPolarHBondContact OD1-CA 3.21Å; G278-T280 PolarHBondContact O-N 3.26Å |
| 279 | K | 89.4 | Confident | 94.7 | Very high | 169 Ų | 169 | 73.7 Ų | 73.7 | 74% | 0.735 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 63 | 31 | 165.6 | -53.8 | 177.9 | -177.6 | 177.7 | 0 | 115.6 | L254 | L254-K279 PolarHBondContact O-N 3.38Š|
| 280 | T | 93.8 | Very high | 95.3 | Very high | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | trans | -152.1 | 148.2 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | V277 G278 N282 P283 | V277-T280 HydrophobicContact CG1-CG2 4.11Å; G278-T280 PolarHBondContact O-N 3.26Å; T280-N282 VanDerWaalsContact C-N 3.32Å; T280-N282 PolarHBondContact OG1-N 2.87Å; T280-N282 PolarHBondContact OG1-O 2.78Å; T280-P283 HydrophobicContact CG2-CB 4.03Å | ||
| 281 | T | 93.8 | Very high | 95.8 | Very high | 44 Ų | 44 | 66.7 Ų | 66.7 | 27% | 0.27 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -83 | -13.2 | 165.9 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | L246 L248 L254 P283 | L246-T281 WeakPolarHBondContact CB-O 3.47Å; L246-T281 WeakPolarHBondContact CG-O 3.33Å; L246-T281 PolarHBondContact N-O 2.84Å; L246-T281 WeakPolarHBondContact O-CG2 3.27Å; L248-T281 HydrophobicContact CD1-CG2 3.13Å; L254-T281 HydrophobicContact CD1-CG2 4.3Å; T281-P283 VanDerWaalsContact O-CD 3.23Å; T281-P283 WeakPolarHBondContact O-CD 3.39Å |
| 282 | N | 96.6 | Very high | 95.7 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -118.3 | 66 | -178.4 | -59.9 | -66.3 | 0 | 0 | 0 | 110 | C243 L244 D245 T280 V284 | C243-N282 CarbonylContact O-C 3.47Å; C243-N282 WeakPolarHBondContact O-CA 3.09Å; L244-N282 VanDerWaalsContact CA-OD1 3.28Å; L244-N282 WeakPolarHBondContact CA-OD1 3.08Å; D245-N282 PolarHBondContact N-OD1 3.05Å; T280-N282 VanDerWaalsContact C-N 3.32Å; T280-N282 PolarHBondContact OG1-N 2.87Å; T280-N282 PolarHBondContact OG1-O 2.78Å; N282-V284 PolarHBondContact O-N 2.89Å |
| 283 | P | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -72.3 | 128.4 | -176.8 | 30.1 | -35.7 | 0 | 0 | 0 | 111.4 | E242 C243 L246 V277 T280 T281 F285 | E242-P283 CarbonylContact C-O 3.59Å; E242-P283 WeakPolarHBondContact CA-O 3.45Å; E242-P283 WeakPolarHBondContact CB-O 3.48Å; C243-P283 HydrophobicContact CB-CG 3.96Å; C243-P283 PolarHBondContact N-O 2.96Å; C243-P283 WeakPolarHBondContact O-CD 3.2Å; L246-P283 HydrophobicContact CD1-CG 3.55Å; V277-P283 HydrophobicContact CB-CB 3.79Å; V277-P283 HydrophobicContact CG1-CB 3.77Å; T280-P283 HydrophobicContact CG2-CB 4.03Å; T281-P283 VanDerWaalsContact O-CD 3.23Å; T281-P283 WeakPolarHBondContact O-CD 3.39Å; P283-F285 HydrophobicContact CB-CE1 4.2Å; P283-F285 HydrophobicContact CB-CE2 3.97Å; P283-F285 HydrophobicContact CB-CZ 3.71Å; P283-F285 HydrophobicContact CG-CE2 3.69Å; P283-F285 HydrophobicContact CG-CZ 3.64Å | ||
| 284 | V | 98.2 | Very high | 95.3 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 112.9 | 170.1 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | K241 E242 N282 N286 | K241-V284 CarbonylContact O-C 3.36Å; E242-V284 HydrophobicContact CB-CB 4.46Å; E242-V284 HydrophobicContact CB-CG2 4.14Å; N282-V284 PolarHBondContact O-N 2.89Å; V284-N286 WeakPolarHBondContact CG1-ND2 3.41Å |
| 285 | F | 98 | Very high | 95 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -44.1 | -178.8 | -62.9 | -70.6 | 0 | 0 | 0 | 112.7 | V240 K241 S256 V258 T274 V277 P283 H287 | V240-F285 HydrophobicContact CG1-CB 4.25Å; V240-F285 HydrophobicContact CG1-CD2 3.88Å; V240-F285 HydrophobicContact CG1-CG 4.32Å; K241-F285 PolarHBondContact O-N 3.25Å; S256-F285 WeakPolarHBondContact O-CE1 3.32Å; V258-F285 HydrophobicContact CG2-CD2 3.98Å; V258-F285 HydrophobicContact CG2-CE1 4.36Å; V258-F285 HydrophobicContact CG2-CE2 3.56Å; V258-F285 HydrophobicContact CG2-CZ 3.77Å; T274-F285 HydrophobicContact CG2-CB 4.22Å; T274-F285 HydrophobicContact CG2-CD1 4.2Å; T274-F285 HydrophobicContact CG2-CG 4.25Å; T274-F285 WeakPolarHBondContact OG1-CD1 3.46Å; V277-F285 HydrophobicContact CB-CD1 4.44Å; V277-F285 HydrophobicContact CB-CE1 4.12Å; V277-F285 HydrophobicContact CG2-CD1 3.65Å; V277-F285 HydrophobicContact CG2-CE1 3.82Å; P283-F285 HydrophobicContact CB-CE1 4.2Å; P283-F285 HydrophobicContact CB-CE2 3.97Å; P283-F285 HydrophobicContact CB-CZ 3.71Å; P283-F285 HydrophobicContact CG-CE2 3.69Å; P283-F285 HydrophobicContact CG-CZ 3.64Å; F285-H287 VanDerWaalsContact C-N 3.29Å; F285-H287 HydrophobicContact CB-CB 4.47Å; F285-H287 PolarHBondContact O-N 2.95Å |
| 286 | N | 97.5 | Very high | 94.5 | Very high | 98 Ų | 98 | 58.5 Ų | 58.5 | 52% | 0.524 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.1 | 56.3 | -172.8 | -77.2 | -29.9 | 0 | 0 | 0 | 113 | V240 K241 V284 | V240-N286 WeakPolarHBondContact O-CA 3.28Å; V240-N286 PolarHBondContact O-N 3.36Å; K241-N286 PolarHBondContact O-N 3.37Å; V284-N286 WeakPolarHBondContact CG1-ND2 3.41Å |
| 287 | H | 98.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.9 | -173.8 | -172.5 | 76.9 | 0 | 0 | 0 | 110.9 | V240 T274 F285 | V240-H287 PolarHBondContact N-O 3.16Å; V240-H287 PolarHBondContact O-N 2.77Å; T274-H287 HydrophobicContact CG2-CB 3.82Å; F285-H287 VanDerWaalsContact C-N 3.29Å; F285-H287 HydrophobicContact CB-CB 4.47Å; F285-H287 PolarHBondContact O-N 2.95Å |
| 288 | T | 98.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.9 | 176.2 | -52.5 | 0 | 0 | 0 | 0 | 110 | I238 V290 W359 | I238-T288 CarbonylContact O-C 3.35Å; I238-T288 WeakPolarHBondContact O-CA 3.37Å; T288-V290 HydrophobicContact CG2-CG2 4.14Å; T288-W359 HydrophobicContact CG2-CH2 4.07Å |
| 289 | M | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133 | 171.8 | -57.1 | -179.7 | -145.9 | 0 | 0 | 107.9 | I238 V240 C260 Q272 T274 Y291 | I238-M289 PolarHBondContact N-O 3.35Å; I238-M289 PolarHBondContact O-N 3.37Å; V240-M289 HydrophobicContact CG2-CE 4.01Å; C260-M289 HydrophobicContact CB-CE 4.15Å; C260-M289 HydrophobicContact CB-SD 3.2Å; C260-M289 WeakPolarHBondContact CB-SD 3.45Å; Q272-M289 HydrophobicContact CB-CB 4.3Å; Q272-M289 HydrophobicContact CB-CG 4.08Å; Q272-M289 HydrophobicContact CB-SD 3.64Å; T274-M289 HydrophobicContact CG2-CE 3.38Å; M289-Y291 HydrophobicContact CB-CE2 4.23Å |
| 290 | V | 96.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.6 | -176.2 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | E235 Q272 T288 | E235-V290 HydrophobicContact CB-CG1 4.17Å; E235-V290 HydrophobicContact CG-CG1 4.45Å; Q272-V290 PolarHBondContact NE2-O 3.21Å; T288-V290 HydrophobicContact CG2-CG2 4.14Å |
| 291 | Y | 95.5 | Very high | 94.6 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 7% | 0.071 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.8 | 175.4 | -69.2 | -100.9 | 0 | 0 | 0 | 108.8 | E235 V236 I238 C260 I262 S270 Q272 M289 | E235-Y291 CarbonylContact C-O 3.5Å; E235-Y291 VanDerWaalsContact CA-O 3.27Å; E235-Y291 WeakPolarHBondContact CA-O 3.45Å; V236-Y291 PolarHBondContact N-O 2.74Å; V236-Y291 PolarHBondContact O-N 3.04Å; I238-Y291 HydrophobicContact CD1-CD2 3.5Å; I238-Y291 HydrophobicContact CD1-CE2 3.86Å; C260-Y291 VanDerWaalsContact C-OH 3.22Å; C260-Y291 HydrophobicContact CB-CE2 4.45Å; C260-Y291 PolarHBondContact O-OH 3.38Å; C260-Y291 PolarHBondContact SG-OH 2.91Å; I262-Y291 HydrophobicContact CB-CD1 4.27Å; I262-Y291 HydrophobicContact CB-CE1 4.33Å; I262-Y291 HydrophobicContact CD1-CD1 4.39Å; I262-Y291 HydrophobicContact CD1-CD2 4.04Å; I262-Y291 HydrophobicContact CD1-CE2 4.19Å; I262-Y291 HydrophobicContact CD1-CG 4.14Å; I262-Y291 HydrophobicContact CG1-CD1 3.33Å; I262-Y291 HydrophobicContact CG1-CD2 3.84Å; I262-Y291 HydrophobicContact CG1-CE1 3.51Å; I262-Y291 HydrophobicContact CG1-CE2 4.02Å; I262-Y291 HydrophobicContact CG1-CG 3.48Å; I262-Y291 VanDerWaalsContact CG1-CG 3.48Å; S270-Y291 WeakPolarHBondContact O-CE1 3.46Å; S270-Y291 PolarHBondContact O-OH 3.02Å; Q272-Y291 HydrophobicContact CG-CE2 4.49Å; M289-Y291 HydrophobicContact CB-CE2 4.23Å |
| 292 | D | 92.8 | Very high | 94.7 | Very high | 126 Ų | 126 | 53.4 Ų | 53.4 | 67% | 0.674 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 173.7 | -178 | 56.8 | 29.7 | 0 | 0 | 0 | 112 | E235 F294 | E235-D292 HydrophobicContact CG-CB 4.36Å; D292-F294 PolarHBondContact O-N 3.21Å |
| 293 | G | 91.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.9 | 10.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G234 R295 | G234-G293 PolarHBondContact O-N 3.38Å; G293-R295 PolarHBondContact O-N 2.82Å |
| 294 | F | 92.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121.2 | 177.1 | -75 | -97.4 | 0 | 0 | 0 | 110.9 | Y220 T233 G234 V236 I262 D292 D298 L299 A302 | Y220-F294 HydrophobicContact CE2-CB 4.21Å; T233-F294 CarbonylContact C-O 3.28Å; T233-F294 VanDerWaalsContact C-O 3.28Å; T233-F294 WeakPolarHBondContact CA-O 3.49Å; G234-F294 PolarHBondContact N-O 2.83Å; G234-F294 PolarHBondContact O-N 3.25Å; V236-F294 HydrophobicContact CB-CD2 4.13Å; V236-F294 HydrophobicContact CB-CE2 3.73Å; V236-F294 HydrophobicContact CB-CZ 4.01Å; V236-F294 HydrophobicContact CG2-CD1 3.96Å; V236-F294 HydrophobicContact CG2-CD2 3.63Å; V236-F294 HydrophobicContact CG2-CE1 3.94Å; V236-F294 HydrophobicContact CG2-CE2 3.61Å; V236-F294 HydrophobicContact CG2-CG 3.79Å; V236-F294 HydrophobicContact CG2-CZ 3.75Å; I262-F294 HydrophobicContact CB-CZ 4.39Å; I262-F294 HydrophobicContact CD1-CZ 4.15Å; I262-F294 HydrophobicContact CG1-CZ 4Å; I262-F294 HydrophobicContact CG2-CE1 3.93Å; I262-F294 HydrophobicContact CG2-CZ 3.61Å; D292-F294 PolarHBondContact O-N 3.21Å; F294-D298 HydrophobicContact CD1-CB 4.27Å; F294-L299 HydrophobicContact CB-CD2 4.36Å; F294-L299 HydrophobicContact CD1-CD2 3.95Å; F294-L299 HydrophobicContact CG-CD2 4.37Å; F294-A302 HydrophobicContact CE1-CB 3.85Å |
| 295 | R | 90.2 | Very high | 94.6 | Very high | 136 Ų | 136 | 48.3 Ų | 48.3 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | trans | -79.5 | 157.8 | 163.5 | -53.4 | -179.2 | -178.7 | -173.5 | 0 | 109.8 | T233 G293 E297 D298 L299 | T233-R295 HydrophobicContact CG2-CG 4.26Å; G293-R295 PolarHBondContact O-N 2.82Å; R295-E297 HydrophobicContact CB-CG 3.98Å; R295-E297 WeakPolarHBondContact CB-OE2 3.35Å; R295-E297 WeakPolarHBondContact CD-OE1 3.43Å; R295-E297 IonicContact NH1-OE1 3.84Å; R295-E297 PolarHBondContact O-N 3.48Å; R295-D298 VanDerWaalsContact CB-OD2 3.23Å; R295-D298 WeakPolarHBondContact CB-OD2 3.39Å; R295-D298 VanDerWaalsContact CG-OD2 3.31Å; R295-D298 WeakPolarHBondContact CG-OD2 3.28Å; R295-D298 PolarHBondContact N-OD2 3.34Å; R295-D298 WeakPolarHBondContact O-CB 3.12Å; R295-D298 PolarHBondContact O-N 2.79Å; R295-L299 PolarHBondContact O-N 3.21Å | ||
| 296 | P | 86.4 | Confident | 94.5 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -38.2 | 175.1 | -27.6 | 36.1 | 0 | 0 | 0 | 113.3 | D298 L299 | P296-D298 VanDerWaalsContact C-N 3.35Å; P296-L299 PolarHBondContact O-N 3.42Å |
| 297 | E | 90.7 | Very high | 94.4 | Very high | 102 Ų | 102 | 43.1 Ų | 43.1 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -32.5 | 175.1 | 59.7 | -91.2 | -151 | 0 | 0 | 113.5 | R295 L299 M300 | R295-E297 HydrophobicContact CB-CG 3.98Å; R295-E297 WeakPolarHBondContact CB-OE2 3.35Å; R295-E297 WeakPolarHBondContact CD-OE1 3.43Å; R295-E297 IonicContact NH1-OE1 3.84Å; R295-E297 PolarHBondContact O-N 3.48Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.94Å; E297-M300 PolarHBondContact O-N 3.49Å |
| 298 | D | 93.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 40 Ų | 40 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.9 | -27.3 | -179.2 | -61.7 | -39.1 | 0 | 0 | 0 | 111.4 | F294 R295 P296 M300 E301 A302 Y332 | F294-D298 HydrophobicContact CD1-CB 4.27Å; R295-D298 VanDerWaalsContact CB-OD2 3.23Å; R295-D298 WeakPolarHBondContact CB-OD2 3.39Å; R295-D298 VanDerWaalsContact CG-OD2 3.31Å; R295-D298 WeakPolarHBondContact CG-OD2 3.28Å; R295-D298 PolarHBondContact N-OD2 3.34Å; R295-D298 WeakPolarHBondContact O-CB 3.12Å; R295-D298 PolarHBondContact O-N 2.79Å; P296-D298 VanDerWaalsContact C-N 3.35Å; D298-M300 PolarHBondContact O-N 2.98Å; D298-E301 PolarHBondContact O-N 3.4Å; D298-A302 WeakPolarHBondContact O-CB 3.49Å; D298-A302 PolarHBondContact O-N 3.4Å; D298-Y332 PolarHBondContact OD1-OH 3.44Å |
| 299 | L | 94.2 | Very high | 94 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -28.2 | 175.9 | -64.6 | 175.1 | 0 | 0 | 0 | 112.7 | Y220 V236 F294 R295 P296 E297 F326 W349 M352 V353 | Y220-L299 HydrophobicContact CD1-CD1 3.85Å; Y220-L299 HydrophobicContact CD2-CD1 4.11Å; Y220-L299 HydrophobicContact CD2-CD2 3.95Å; Y220-L299 HydrophobicContact CE1-CD1 3.68Å; Y220-L299 HydrophobicContact CE2-CD1 3.96Å; Y220-L299 HydrophobicContact CE2-CD2 4.09Å; Y220-L299 HydrophobicContact CE2-CG 4.39Å; Y220-L299 HydrophobicContact CG-CD1 4.06Å; Y220-L299 HydrophobicContact CG-CD2 4.45Å; V236-L299 HydrophobicContact CG2-CD2 3.84Å; F294-L299 HydrophobicContact CB-CD2 4.36Å; F294-L299 HydrophobicContact CD1-CD2 3.95Å; F294-L299 HydrophobicContact CG-CD2 4.37Å; R295-L299 PolarHBondContact O-N 3.21Å; P296-L299 PolarHBondContact O-N 3.42Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.94Å; L299-F326 WeakPolarHBondContact O-CD2 3.43Å; L299-F326 VanDerWaalsContact O-CE2 3.26Å; L299-F326 WeakPolarHBondContact O-CE2 3.36Å; L299-W349 HydrophobicContact CD2-CZ2 4.42Å; L299-W349 PolarHBondContact O-NE1 3.46Å; L299-M352 HydrophobicContact CD2-CE 4.43Å; L299-V353 HydrophobicContact CB-CG2 4.21Å; L299-V353 HydrophobicContact CD1-CG1 4.38Å; L299-V353 HydrophobicContact CD1-CG2 4.34Å |
| 300 | M | 93.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 39.5 Ų | 39.5 | 44% | 0.443 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -78.4 | -24.2 | 177.4 | -58.3 | -57 | -56.6 | 0 | 0 | 112.4 | E297 D298 F326 | E297-M300 PolarHBondContact O-N 3.49Å; D298-M300 PolarHBondContact O-N 2.98Å; M300-F326 HydrophobicContact CE-CD1 4.08Å; M300-F326 HydrophobicContact CE-CD2 3.98Å; M300-F326 HydrophobicContact CE-CE1 3.76Å; M300-F326 HydrophobicContact CE-CE2 3.69Å; M300-F326 HydrophobicContact CE-CG 4.18Å; M300-F326 HydrophobicContact CE-CZ 3.57Å; M300-F326 HydrophobicContact CG-CE2 4.48Å; M300-F326 HydrophobicContact SD-CD2 4.1Å; M300-F326 HydrophobicContact SD-CE1 4.19Å; M300-F326 HydrophobicContact SD-CE2 3.33Å; M300-F326 WeakPolarHBondContact SD-CE2 3.4Å; M300-F326 HydrophobicContact SD-CZ 3.38Å; M300-F326 WeakPolarHBondContact SD-CZ 3.25Å |
| 301 | E | 94.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -109.3 | -14.6 | -169.3 | -59 | -67.5 | 178.8 | 0 | 0 | 113.1 | D298 S331 Y332 | D298-E301 PolarHBondContact O-N 3.4Å; E301-S331 PolarHBondContact O-OG 2.79Å; E301-S331 VanDerWaalsContact OE2-CA 3.24Å; E301-S331 WeakPolarHBondContact OE2-CA 3.35Å; E301-Y332 HydrophobicContact CB-CD1 4.28Å; E301-Y332 HydrophobicContact CB-CD2 3.94Å; E301-Y332 HydrophobicContact CB-CE1 3.95Å; E301-Y332 HydrophobicContact CB-CE2 3.57Å; E301-Y332 HydrophobicContact CB-CG 4.29Å; E301-Y332 HydrophobicContact CG-CD1 4.08Å; E301-Y332 HydrophobicContact CG-CE1 3.97Å; E301-Y332 HydrophobicContact CG-CE2 4.4Å; E301-Y332 HydrophobicContact CG-CG 4.37Å; E301-Y332 PolarHBondContact OE2-N 3.38Å |
| 302 | A | 95.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -95.1 | 156.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | I262 L263 F294 D298 M339 | I262-A302 HydrophobicContact CG2-CB 4.2Å; L263-A302 VanDerWaalsContact O-CA 3.31Å; L263-A302 WeakPolarHBondContact O-CA 3.38Å; F294-A302 HydrophobicContact CE1-CB 3.85Å; D298-A302 WeakPolarHBondContact O-CB 3.49Å; D298-A302 PolarHBondContact O-N 3.4Å; A302-M339 WeakPolarHBondContact O-CE 3.42Å | ||
| 303 | C | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.2 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | L263 E305 W338 M339 | L263-C303 HydrophobicContact CB-CB 4.33Å; L263-C303 PolarHBondContact N-O 3.31Å; L263-C303 PolarHBondContact O-N 2.87Å; L263-C303 VanDerWaalsContact O-N 3.09Å; C303-E305 PolarHBondContact O-N 2.83Å; C303-W338 HydrophobicContact CB-CE3 3.98Å; C303-W338 HydrophobicContact CB-CZ3 3.88Å; C303-M339 HydrophobicContact CB-SD 3.72Å |
| 304 | V | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.4 | 171.1 | 173.2 | 0 | 0 | 0 | 0 | 109.1 | I238 I262 L306 R323 I324 W349 | I238-V304 HydrophobicContact CD1-CG2 4.48Å; I238-V304 HydrophobicContact CG1-CG1 4.28Å; I238-V304 HydrophobicContact CG1-CG2 4.2Å; I262-V304 HydrophobicContact CD1-CB 4.27Å; I262-V304 HydrophobicContact CD1-CG2 3.49Å; I262-V304 VanDerWaalsContact CD1-CG2 3.49Å; V304-L306 HydrophobicContact CG1-CD1 4.05Å; V304-L306 HydrophobicContact CG1-CG 3.86Å; V304-R323 CarbonylContact O-C 3.44Å; V304-R323 VanDerWaalsContact O-CA 3.3Å; V304-R323 WeakPolarHBondContact O-CA 3.38Å; V304-I324 HydrophobicContact CB-CB 4.32Å; V304-I324 PolarHBondContact N-O 2.9Å; V304-I324 PolarHBondContact O-N 2.81Å; V304-W349 HydrophobicContact CB-CZ3 4.32Å; V304-W349 HydrophobicContact CG2-CE3 4.43Å; V304-W349 HydrophobicContact CG2-CH2 3.83Å; V304-W349 HydrophobicContact CG2-CZ3 3.41Å; V304-W349 VanDerWaalsContact CG2-CZ3 3.41Å |
| 305 | E | 96.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 54 Ų | 54 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115.7 | 170.2 | -173 | 178.7 | 87.3 | 0 | 0 | 110.4 | C260 T261 L263 C303 T307 R323 L369 | C260-E305 CarbonylContact C-O 3.46Å; C260-E305 WeakPolarHBondContact CA-O 3.41Å; T261-E305 PolarHBondContact N-O 3.28Å; T261-E305 PolarHBondContact O-N 2.71Å; L263-E305 HydrophobicContact CD1-CB 4.11Å; L263-E305 HydrophobicContact CG-CB 4.33Å; C303-E305 PolarHBondContact O-N 2.83Å; E305-T307 HydrophobicContact CG-CG2 4.14Å; E305-R323 HydrophobicContact CB-CG 4.28Å; E305-R323 HydrophobicContact CG-CG 4.04Å; E305-R323 IonicContact OE2-CZ 3.51Å; E305-R323 IonicContact OE2-NE 3.68Å; E305-R323 PolarHBondContact OE2-NE 2.93Å; E305-R323 IonicContact OE2-NH2 3.78Å; E305-R323 PolarHBondContact OE2-NH2 3.39Å; E305-L369 HydrophobicContact CG-CD1 3.95Å |
| 306 | L | 97.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.8 | 175.2 | -72.1 | 163 | 0 | 0 | 0 | 109.8 | M214 L216 I238 V240 V258 K259 C260 V304 G321 L322 I324 | M214-L306 HydrophobicContact CE-CB 4.44Å; M214-L306 HydrophobicContact SD-CB 4.3Å; M214-L306 HydrophobicContact SD-CD1 3.97Å; L216-L306 HydrophobicContact CD1-CD1 3.72Å; I238-L306 HydrophobicContact CG2-CD1 4.15Å; I238-L306 HydrophobicContact CG2-CD2 4.29Å; V240-L306 HydrophobicContact CG2-CD2 3.93Å; V258-L306 HydrophobicContact CG1-CB 4.37Å; V258-L306 HydrophobicContact CG1-CD2 3.82Å; K259-L306 WeakPolarHBondContact O-CA 3.36Å; C260-L306 HydrophobicContact CB-CD2 3.67Å; V304-L306 HydrophobicContact CG1-CD1 4.05Å; V304-L306 HydrophobicContact CG1-CG 3.86Å; L306-G321 CarbonylContact O-C 3.46Å; L306-G321 WeakPolarHBondContact O-CA 3.23Å; L306-L322 HydrophobicContact CB-CB 4.47Å; L306-L322 PolarHBondContact N-O 2.71Å; L306-L322 PolarHBondContact O-N 2.94Å; L306-I324 HydrophobicContact CD1-CD1 4.12Å |
| 307 | T | 94.9 | Very high | 89.3 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.3 | -179 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | V258 K259 E305 W309 F318 L369 | V258-T307 CarbonylContact C-O 3.6Å; V258-T307 VanDerWaalsContact CA-O 3.31Å; V258-T307 WeakPolarHBondContact CA-O 3.36Å; K259-T307 PolarHBondContact N-O 3.46Å; K259-T307 PolarHBondContact O-N 3.19Å; K259-T307 PolarHBondContact O-OG1 3.36Å; E305-T307 HydrophobicContact CG-CG2 4.14Å; T307-W309 VanDerWaalsContact CB-NE1 3.29Å; T307-W309 VanDerWaalsContact O-CD1 3.23Å; T307-W309 PolarHBondContact OG1-NE1 3.16Å; T307-F318 HydrophobicContact CG2-CE2 3.77Å; T307-L369 HydrophobicContact CG2-CD1 3.97Å |
| 308 | V | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.5 | 178.4 | -166.7 | 0 | 0 | 0 | 0 | 109.7 | M214 L246 V258 L319 G320 L366 | M214-V308 HydrophobicContact CE-CG2 3.39Å; L246-V308 HydrophobicContact CD1-CG1 3.96Å; L246-V308 HydrophobicContact CD2-CG1 4.16Å; V258-V308 HydrophobicContact CG2-CG2 4.22Å; V308-L319 HydrophobicContact CB-CB 4.32Å; V308-L319 HydrophobicContact CG1-CB 4.35Å; V308-L319 HydrophobicContact CG1-CD1 4.08Å; V308-L319 PolarHBondContact O-N 2.83Å; V308-G320 PolarHBondContact N-O 2.8Å; V308-L366 HydrophobicContact CG2-CD1 3.87Å; V308-L366 HydrophobicContact CG2-CD2 3.89Å |
| 309 | W | 93.3 | Very high | 89 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138 | -176.7 | -61 | 81.2 | 0 | 0 | 0 | 110.8 | S256 F257 T307 N316 Q317 F318 | S256-W309 CarbonylContact C-O 3.48Å; S256-W309 WeakPolarHBondContact CA-O 3.44Å; F257-W309 HydrophobicContact CD1-CB 4.03Å; F257-W309 WeakPolarHBondContact CD1-O 3.46Å; F257-W309 HydrophobicContact CE1-CB 3.53Å; F257-W309 HydrophobicContact CE2-CB 4.08Å; F257-W309 HydrophobicContact CE2-CG 4.34Å; F257-W309 HydrophobicContact CG-CB 4.49Å; F257-W309 HydrophobicContact CZ-CB 3.56Å; F257-W309 HydrophobicContact CZ-CG 4.08Å; F257-W309 PolarHBondContact N-O 2.79Å; F257-W309 PolarHBondContact O-N 2.87Å; T307-W309 VanDerWaalsContact CB-NE1 3.29Å; T307-W309 VanDerWaalsContact O-CD1 3.23Å; T307-W309 PolarHBondContact OG1-NE1 3.16Å; W309-N316 HydrophobicContact CE3-CB 3.78Å; W309-N316 HydrophobicContact CZ3-CB 4.48Å; W309-Q317 CarbonylContact C-O 3.55Å; W309-Q317 VanDerWaalsContact CA-O 3.25Å; W309-Q317 WeakPolarHBondContact CA-O 3.17Å; W309-F318 HydrophobicContact CD2-CB 4.48Å; W309-F318 HydrophobicContact CD2-CD2 4.32Å; W309-F318 AromaticContact CE2-CD2 3.95Å; W309-F318 HydrophobicContact CE3-CB 3.99Å; W309-F318 HydrophobicContact CH2-CB 4.07Å; W309-F318 HydrophobicContact CH2-CD2 4.25Å; W309-F318 AromaticContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ3-CB 3.78Å |
| 310 | D | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.9 | 164.8 | 173.4 | 42.2 | 0 | 0 | 0 | 110.5 | L254 N255 Y312 N316 Q317 L319 | L254-D310 HydrophobicContact CD2-CB 4.01Å; N255-D310 PolarHBondContact N-OD1 3.46Å; D310-Y312 PolarHBondContact O-N 2.87Å; D310-N316 CarbonylContact O-C 3.57Å; D310-N316 VanDerWaalsContact O-CA 3.28Å; D310-N316 WeakPolarHBondContact O-CA 3.31Å; D310-Q317 HydrophobicContact CB-CB 4.32Å; D310-Q317 PolarHBondContact N-O 2.96Å; D310-Q317 PolarHBondContact O-N 3.35Å; D310-L319 HydrophobicContact CB-CD1 4.1Å; D310-L319 HydrophobicContact CB-CD2 4.03Å; D310-L319 HydrophobicContact CB-CG 4.2Å |
| 311 | H | 86.8 | Confident | 88.8 | Confident | 92 Ų | 92 | 38.2 Ų | 38.2 | 43% | 0.426 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 99.9 | 173.2 | -176.4 | -98.6 | 0 | 0 | 0 | 110.6 | N255 F257 N316 | N255-H311 HydrophobicContact CB-CB 4.23Å; N255-H311 WeakPolarHBondContact O-CB 3.45Å; N255-H311 PolarHBondContact O-N 2.72Å; F257-H311 HydrophobicContact CD1-CB 4.33Å; F257-H311 HydrophobicContact CE1-CB 4.1Å; H311-N316 PolarHBondContact CD2-OD1 2.9Å |
| 312 | Y | 73.8 | Confident | 88.9 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 27% | 0.271 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 101.1 | -178.1 | -170.4 | -95.9 | 0 | 0 | 0 | 112.6 | R250 D310 L314 T315 | R250-Y312 HydrophobicContact CB-CD2 4.33Å; R250-Y312 HydrophobicContact CB-CE2 4.44Å; D310-Y312 PolarHBondContact O-N 2.87Å; Y312-L314 PolarHBondContact O-N 2.86Å; Y312-T315 CarbonylContact C-O 3.54Å; Y312-T315 WeakPolarHBondContact CA-O 3.47Å; Y312-T315 PolarHBondContact N-O 2.85Å; Y312-T315 PolarHBondContact O-N 2.74Å; Y312-T315 PolarHBondContact O-OG1 2.85Å |
| 313 | K | 76 | Confident | 88.9 | Confident | 159 Ų | 159 | 35.4 Ų | 35.4 | 69% | 0.691 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | -101.8 | -179.6 | -58 | -177.7 | 179.8 | -175.4 | 0 | 112.2 | ||
| 314 | L | 76.8 | Confident | 89 | Confident | 167 Ų | 167 | 35.4 Ų | 35.4 | 87% | 0.874 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 0.5 | -178.1 | -62.5 | 173.1 | 0 | 0 | 0 | 112.7 | Y312 | Y312-L314 PolarHBondContact O-N 2.86Š|
| 315 | T | 74.8 | Confident | 89 | Confident | 68 Ų | 68 | 35.4 Ų | 35.4 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.5 | -176.6 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | Y312 | Y312-T315 CarbonylContact C-O 3.54Å; Y312-T315 WeakPolarHBondContact CA-O 3.47Å; Y312-T315 PolarHBondContact N-O 2.85Å; Y312-T315 PolarHBondContact O-N 2.74Å; Y312-T315 PolarHBondContact O-OG1 2.85Å |
| 316 | N | 82.8 | Confident | 89 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 37% | 0.369 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 138.3 | 170.3 | -60.4 | -44.5 | 0 | 0 | 0 | 109.9 | F257 W309 D310 H311 | F257-N316 HydrophobicContact CZ-CB 4.45Å; W309-N316 HydrophobicContact CE3-CB 3.78Å; W309-N316 HydrophobicContact CZ3-CB 4.48Å; D310-N316 CarbonylContact O-C 3.57Å; D310-N316 VanDerWaalsContact O-CA 3.28Å; D310-N316 WeakPolarHBondContact O-CA 3.31Å; H311-N316 PolarHBondContact CD2-OD1 2.9Å |
| 317 | Q | 83.3 | Confident | 88.8 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.6 | 173.9 | 177.8 | 167.7 | 36.4 | 0 | 0 | 109.9 | L249 R250 W309 D310 L319 | L249-Q317 VanDerWaalsContact CB-CD 3.45Å; L249-Q317 HydrophobicContact CD1-CG 4.25Å; R250-Q317 VanDerWaalsContact CB-OE1 3.32Å; R250-Q317 VanDerWaalsContact CG-OE1 3.23Å; W309-Q317 CarbonylContact C-O 3.55Å; W309-Q317 VanDerWaalsContact CA-O 3.25Å; W309-Q317 WeakPolarHBondContact CA-O 3.17Å; D310-Q317 HydrophobicContact CB-CB 4.32Å; D310-Q317 PolarHBondContact N-O 2.96Å; D310-Q317 PolarHBondContact O-N 3.35Å; Q317-L319 HydrophobicContact CG-CD2 4.42Å |
| 318 | F | 87.5 | Confident | 88.7 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 9% | 0.088 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.6 | 174.1 | -179.5 | -108.9 | 0 | 0 | 0 | 110.2 | T307 W309 G320 M368 L369 | T307-F318 HydrophobicContact CG2-CE2 3.77Å; W309-F318 HydrophobicContact CD2-CB 4.48Å; W309-F318 HydrophobicContact CD2-CD2 4.32Å; W309-F318 AromaticContact CE2-CD2 3.95Å; W309-F318 HydrophobicContact CE3-CB 3.99Å; W309-F318 HydrophobicContact CH2-CB 4.07Å; W309-F318 HydrophobicContact CH2-CD2 4.25Å; W309-F318 AromaticContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ3-CB 3.78Å; F318-G320 VanDerWaalsContact CE2-C 3.5Å; F318-G320 WeakPolarHBondContact CE2-O 3.39Å; F318-G320 WeakPolarHBondContact CZ-O 3.4Å; F318-M368 HydrophobicContact CD1-CE 3.98Å; F318-M368 HydrophobicContact CD1-SD 3.92Å; F318-M368 HydrophobicContact CE1-CE 3.98Å; F318-M368 HydrophobicContact CE1-SD 3.71Å; F318-L369 HydrophobicContact CZ-CB 4.36Å; F318-L369 HydrophobicContact CZ-CG 4.34Å |
| 319 | L | 88.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -42.1 | -179.6 | -59.2 | -176.2 | 0 | 0 | 0 | 111.5 | R211 L246 L249 L254 V308 D310 Q317 | R211-L319 WeakPolarHBondContact CD-O 3.27Å; R211-L319 PolarHBondContact NH1-O 2.88Å; L246-L319 HydrophobicContact CB-CD1 4.33Å; L246-L319 HydrophobicContact CD1-CD1 4.01Å; L249-L319 HydrophobicContact CD1-CD2 3.95Å; L249-L319 HydrophobicContact CG-CD2 4.28Å; L254-L319 HydrophobicContact CD1-CD1 4.14Å; L254-L319 HydrophobicContact CD2-CD1 4.48Å; L254-L319 HydrophobicContact CD2-CD2 4.49Å; V308-L319 HydrophobicContact CB-CB 4.32Å; V308-L319 HydrophobicContact CG1-CB 4.35Å; V308-L319 HydrophobicContact CG1-CD1 4.08Å; V308-L319 PolarHBondContact O-N 2.83Å; D310-L319 HydrophobicContact CB-CD1 4.1Å; D310-L319 HydrophobicContact CB-CD2 4.03Å; D310-L319 HydrophobicContact CB-CG 4.2Å; Q317-L319 HydrophobicContact CG-CD2 4.42Å |
| 320 | G | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V308 F318 R367 | V308-G320 PolarHBondContact N-O 2.8Å; F318-G320 VanDerWaalsContact CE2-C 3.5Å; F318-G320 WeakPolarHBondContact CE2-O 3.39Å; F318-G320 WeakPolarHBondContact CZ-O 3.4Å; G320-R367 CarbonylContact C-O 3.59Å; G320-R367 WeakPolarHBondContact CA-O 3.44Å |
| 321 | G | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 176.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L306 R367 | L306-G321 CarbonylContact O-C 3.46Å; L306-G321 WeakPolarHBondContact O-CA 3.23Å; G321-R367 PolarHBondContact N-O 2.83Å; G321-R367 WeakPolarHBondContact O-CG 3.15Å; G321-R367 PolarHBondContact O-N 2.83Å |
| 322 | L | 96.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.3 | 178.1 | -58.1 | 174.2 | 0 | 0 | 0 | 109.6 | M214 L216 L306 I324 E345 L364 P365 L366 | M214-L322 HydrophobicContact CB-CD1 3.98Å; M214-L322 HydrophobicContact CG-CD1 4.39Å; M214-L322 HydrophobicContact SD-CD1 4.03Å; L216-L322 HydrophobicContact CD2-CD1 3.92Å; L306-L322 HydrophobicContact CB-CB 4.47Å; L306-L322 PolarHBondContact N-O 2.71Å; L306-L322 PolarHBondContact O-N 2.94Å; L322-I324 HydrophobicContact CB-CD1 4.31Å; L322-I324 HydrophobicContact CB-CG1 4.11Å; L322-I324 HydrophobicContact CD1-CD1 4.23Å; L322-E345 WeakPolarHBondContact CA-OE1 3.37Å; L322-L364 HydrophobicContact CD1-CB 3.81Å; L322-L364 HydrophobicContact CD1-CD1 4.07Å; L322-L364 HydrophobicContact CD2-CB 3.79Å; L322-L364 HydrophobicContact CG-CB 4.47Å; L322-P365 WeakPolarHBondContact CD2-O 3.34Å; L322-L366 HydrophobicContact CD2-CD2 4.27Å; L322-L366 HydrophobicContact CG-CD2 3.99Å |
| 323 | R | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 112.7 | 166.3 | -71.7 | 167.5 | 167.3 | 173.4 | -9 | 109.7 | V304 E305 D337 W338 D340 S341 E345 L369 L370 | V304-R323 CarbonylContact O-C 3.44Å; V304-R323 VanDerWaalsContact O-CA 3.3Å; V304-R323 WeakPolarHBondContact O-CA 3.38Å; E305-R323 HydrophobicContact CB-CG 4.28Å; E305-R323 HydrophobicContact CG-CG 4.04Å; E305-R323 IonicContact OE2-CZ 3.51Å; E305-R323 IonicContact OE2-NE 3.68Å; E305-R323 PolarHBondContact OE2-NE 2.93Å; E305-R323 IonicContact OE2-NH2 3.78Å; E305-R323 PolarHBondContact OE2-NH2 3.39Å; R323-D337 PolarHBondContact NH1-O 2.89Å; R323-W338 WeakPolarHBondContact CD-O 3.28Å; R323-D340 WeakPolarHBondContact CD-OD1 3.04Å; R323-D340 IonicContact NE-OD1 3.75Å; R323-D340 IonicContact NH1-OD1 2.84Å; R323-D340 PolarHBondContact NH1-OD1 2.91Å; R323-D340 IonicContact NH1-OD2 2.59Å; R323-D340 PolarHBondContact NH1-OD2 2.86Å; R323-S341 WeakPolarHBondContact O-CB 3.22Å; R323-S341 PolarHBondContact O-OG 3.15Å; R323-E345 PolarHBondContact N-OE1 3.08Å; R323-E345 WeakPolarHBondContact O-CB 3.46Å; R323-E345 VanDerWaalsContact O-OE2 3.06Å; R323-L369 HydrophobicContact CG-CD1 4.07Å; R323-L369 HydrophobicContact CG-CD2 4.18Å; R323-L370 VanDerWaalsContact CZ-O 3.32Å; R323-L370 PolarHBondContact NH1-O 3.07Å; R323-L370 PolarHBondContact NH2-O 3.34Å |
| 324 | I | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 106 | -168.2 | -47.1 | 174.1 | 0 | 0 | 0 | 107.5 | L216 L218 V304 L306 L322 E345 L348 W349 L364 | L216-I324 HydrophobicContact CD1-CD1 3.49Å; L216-I324 VanDerWaalsContact CD1-CD1 3.49Å; L216-I324 HydrophobicContact CD2-CD1 4.4Å; L218-I324 HydrophobicContact CD1-CG2 3.85Å; V304-I324 HydrophobicContact CB-CB 4.32Å; V304-I324 PolarHBondContact N-O 2.9Å; V304-I324 PolarHBondContact O-N 2.81Å; L306-I324 HydrophobicContact CD1-CD1 4.12Å; L322-I324 HydrophobicContact CB-CD1 4.31Å; L322-I324 HydrophobicContact CB-CG1 4.11Å; L322-I324 HydrophobicContact CD1-CD1 4.23Å; I324-E345 HydrophobicContact CG1-CG 4.44Å; I324-E345 WeakPolarHBondContact CG2-O 3.11Å; I324-L348 HydrophobicContact CD1-CD2 4.16Å; I324-L348 HydrophobicContact CG2-CB 4.42Å; I324-L348 HydrophobicContact CG2-CD2 4.15Å; I324-L348 HydrophobicContact CG2-CG 4.42Å; I324-W349 HydrophobicContact CG2-CB 4.09Å; I324-W349 HydrophobicContact CG2-CE3 4.02Å; I324-L364 HydrophobicContact CD1-CD1 3.96Å; I324-L364 HydrophobicContact CG1-CD1 4.27Å |
| 325 | G | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | -170.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G327 S341 V346 | G325-G327 VanDerWaalsContact C-N 3.28Å; G325-G327 PolarHBondContact O-N 3.33Å; G325-S341 PolarHBondContact N-OG 2.79Å; G325-S341 VanDerWaalsContact N-OG 3.17Å; G325-S341 WeakPolarHBondContact O-CB 3.35Å; G325-S341 PolarHBondContact O-OG 2.86Å; G325-V346 WeakPolarHBondContact O-CA 3.3Å; G325-V346 WeakPolarHBondContact O-CG2 3.3Å |
| 326 | F | 96.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | trans | -75.4 | -7.5 | -179.9 | -78 | -82.5 | 0 | 0 | 0 | 115.3 | L299 M300 T328 M339 W349 E350 V353 | L299-F326 WeakPolarHBondContact O-CD2 3.43Å; L299-F326 VanDerWaalsContact O-CE2 3.26Å; L299-F326 WeakPolarHBondContact O-CE2 3.36Å; M300-F326 HydrophobicContact CE-CD1 4.08Å; M300-F326 HydrophobicContact CE-CD2 3.98Å; M300-F326 HydrophobicContact CE-CE1 3.76Å; M300-F326 HydrophobicContact CE-CE2 3.69Å; M300-F326 HydrophobicContact CE-CG 4.18Å; M300-F326 HydrophobicContact CE-CZ 3.57Å; M300-F326 HydrophobicContact CG-CE2 4.48Å; M300-F326 HydrophobicContact SD-CD2 4.1Å; M300-F326 HydrophobicContact SD-CE1 4.19Å; M300-F326 HydrophobicContact SD-CE2 3.33Å; M300-F326 WeakPolarHBondContact SD-CE2 3.4Å; M300-F326 HydrophobicContact SD-CZ 3.38Å; M300-F326 WeakPolarHBondContact SD-CZ 3.25Å; F326-T328 VanDerWaalsContact C-N 3.25Å; F326-T328 HydrophobicContact CB-CG2 3.87Å; F326-T328 PolarHBondContact O-N 2.73Å; F326-T328 VanDerWaalsContact O-N 3.17Å; F326-M339 HydrophobicContact CB-CE 4.16Å; F326-W349 AromaticContact CD2-CD1 3.38Å; F326-W349 AromaticContact CD2-NE1 3.44Å; F326-W349 AromaticContact CE2-CD1 3.37Å; F326-W349 AromaticContact CE2-NE1 3.39Å; F326-W349 AromaticContact CG-CD1 3.98Å; F326-W349 AromaticContact CZ-CD1 4Å; F326-E350 HydrophobicContact CD1-CG 3.97Å; F326-E350 HydrophobicContact CE1-CG 3.54Å; F326-E350 HydrophobicContact CZ-CG 4.37Å; F326-V353 HydrophobicContact CE2-CG2 4.24Å; F326-V353 HydrophobicContact CZ-CG2 4.26Å | ||
| 327 | G | 93.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | trans | 62.3 | 26 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G325 G329 M339 | G325-G327 VanDerWaalsContact C-N 3.28Å; G325-G327 PolarHBondContact O-N 3.33Å; G327-G329 VanDerWaalsContact C-N 3.25Å; G327-G329 PolarHBondContact O-N 3.05Å; G327-M339 CarbonylContact C-O 3.4Å; G327-M339 WeakPolarHBondContact CA-O 3.45Å | ||
| 328 | T | 93.8 | Very high | 91.9 | Very high | 80 Ų | 80 | 40.6 Ų | 40.6 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | trans | -74.3 | -7.4 | -173.2 | 58 | 0 | 0 | 0 | 0 | 114.8 | F326 K330 M339 | F326-T328 VanDerWaalsContact C-N 3.25Å; F326-T328 HydrophobicContact CB-CG2 3.87Å; F326-T328 PolarHBondContact O-N 2.73Å; F326-T328 VanDerWaalsContact O-N 3.17Å; T328-K330 PolarHBondContact O-N 2.66Å; T328-K330 PolarHBondContact OG1-N 2.83Å; T328-K330 PolarHBondContact OG1-O 2.84Å; T328-M339 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 329 | G | 90.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 66.5 | 4.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.6 | G327 V336 M339 | G327-G329 VanDerWaalsContact C-N 3.25Å; G327-G329 PolarHBondContact O-N 3.05Å; G329-V336 PolarHBondContact O-N 2.8Å; G329-M339 WeakPolarHBondContact CA-O 3.26Å; G329-M339 PolarHBondContact N-O 3.18Å |
| 330 | K | 92 | Very high | 92.2 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.7 | -176.9 | -66.7 | -177.6 | -178.3 | -176.9 | 0 | 111.1 | T328 T334 E335 | T328-K330 PolarHBondContact O-N 2.66Å; T328-K330 PolarHBondContact OG1-N 2.83Å; T328-K330 PolarHBondContact OG1-O 2.84Å; K330-T334 CarbonylContact C-O 3.55Å; K330-T334 WeakPolarHBondContact CA-O 3.18Å; K330-E335 HydrophobicContact CD-CG 4.37Å; K330-E335 HydrophobicContact CG-CG 4.02Å; K330-E335 IonicContact NZ-OE1 3.93Å |
| 331 | S | 92.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.8 | 171.4 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | E301 G333 T334 W338 | E301-S331 PolarHBondContact O-OG 2.79Å; E301-S331 VanDerWaalsContact OE2-CA 3.24Å; E301-S331 WeakPolarHBondContact OE2-CA 3.35Å; S331-G333 PolarHBondContact O-N 3Å; S331-T334 PolarHBondContact N-O 3.26Å; S331-T334 WeakPolarHBondContact O-CB 3.37Å; S331-T334 PolarHBondContact O-N 3.07Å; S331-W338 VanDerWaalsContact OG-CH2 3.26Å; S331-W338 WeakPolarHBondContact OG-CH2 3.17Å |
| 332 | Y | 93.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 45.7 Ų | 45.7 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 45.5 | -173.9 | -60.5 | -83.6 | 0 | 0 | 0 | 112.3 | P264 D298 E301 T334 | P264-Y332 HydrophobicContact CG-CD2 4.28Å; P264-Y332 HydrophobicContact CG-CE2 3.89Å; D298-Y332 PolarHBondContact OD1-OH 3.44Å; E301-Y332 HydrophobicContact CB-CD1 4.28Å; E301-Y332 HydrophobicContact CB-CD2 3.94Å; E301-Y332 HydrophobicContact CB-CE1 3.95Å; E301-Y332 HydrophobicContact CB-CE2 3.57Å; E301-Y332 HydrophobicContact CB-CG 4.29Å; E301-Y332 HydrophobicContact CG-CD1 4.08Å; E301-Y332 HydrophobicContact CG-CE1 3.97Å; E301-Y332 HydrophobicContact CG-CE2 4.4Å; E301-Y332 HydrophobicContact CG-CG 4.37Å; E301-Y332 PolarHBondContact OE2-N 3.38Å; Y332-T334 PolarHBondContact O-N 3.46Å |
| 333 | G | 90.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 73% | 0.732 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 0.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S331 | S331-G333 PolarHBondContact O-N 3Š|
| 334 | T | 90.5 | Very high | 92.2 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.6 | -179 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | K330 S331 Y332 V336 | K330-T334 CarbonylContact C-O 3.55Å; K330-T334 WeakPolarHBondContact CA-O 3.18Å; S331-T334 PolarHBondContact N-O 3.26Å; S331-T334 WeakPolarHBondContact O-CB 3.37Å; S331-T334 PolarHBondContact O-N 3.07Å; Y332-T334 PolarHBondContact O-N 3.46Å; T334-V336 PolarHBondContact O-N 3.26Å |
| 335 | E | 90.3 | Very high | 92.2 | Very high | 152 Ų | 152 | 56.2 Ų | 56.2 | 71% | 0.71 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 130.9 | 171.9 | -72.5 | -178.1 | 174.8 | 0 | 0 | 111.1 | K330 | K330-E335 HydrophobicContact CD-CG 4.37Å; K330-E335 HydrophobicContact CG-CG 4.02Å; K330-E335 IonicContact NZ-OE1 3.93Å |
| 336 | V | 86.8 | Confident | 92.2 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | trans | -137.8 | 145.1 | -175.6 | -67 | 0 | 0 | 0 | 0 | 111.4 | G329 T334 W338 M339 | G329-V336 PolarHBondContact O-N 2.8Å; T334-V336 PolarHBondContact O-N 3.26Å; V336-W338 VanDerWaalsContact C-N 3.29Å; V336-W338 HydrophobicContact CB-CD2 4.09Å; V336-W338 HydrophobicContact CB-CG 4.3Å; V336-W338 HydrophobicContact CB-CZ2 4Å; V336-W338 HydrophobicContact CG1-CZ2 3.81Å; V336-W338 HydrophobicContact CG2-CD2 3.92Å; V336-W338 HydrophobicContact CG2-CE3 4.21Å; V336-W338 HydrophobicContact CG2-CG 4.5Å; V336-W338 HydrophobicContact CG2-CH2 4.18Å; V336-W338 HydrophobicContact CG2-CZ2 3.82Å; V336-W338 HydrophobicContact CG2-CZ3 4.33Å; V336-W338 PolarHBondContact O-N 2.94Å; V336-M339 HydrophobicContact CG2-CB 3.63Å | ||
| 337 | D | 83.4 | Confident | 92.3 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.8 | -178 | 63.1 | -4.2 | 0 | 0 | 0 | 114 | R323 | R323-D337 PolarHBondContact NH1-O 2.89Š|
| 338 | W | 88.8 | Confident | 92.5 | Very high | 20 Ų | 20 | 57.3 Ų | 57.3 | 8% | 0.076 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -7.1 | -174.8 | 54.1 | -103.5 | 0 | 0 | 0 | 114.7 | L263 P264 C303 R323 S331 V336 D340 A372 | L263-W338 HydrophobicContact CB-CD2 4.03Å; L263-W338 HydrophobicContact CB-CE3 3.76Å; L263-W338 HydrophobicContact CB-CH2 4.13Å; L263-W338 HydrophobicContact CB-CZ2 4.43Å; L263-W338 HydrophobicContact CB-CZ3 3.83Å; L263-W338 HydrophobicContact CD1-CB 3.64Å; L263-W338 HydrophobicContact CD1-CD2 3.8Å; L263-W338 HydrophobicContact CD1-CE3 3.86Å; L263-W338 HydrophobicContact CD1-CG 3.73Å; L263-W338 HydrophobicContact CG-CE3 4.47Å; P264-W338 HydrophobicContact CB-CH2 4.16Å; P264-W338 HydrophobicContact CB-CZ2 3.88Å; C303-W338 HydrophobicContact CB-CE3 3.98Å; C303-W338 HydrophobicContact CB-CZ3 3.88Å; R323-W338 WeakPolarHBondContact CD-O 3.28Å; S331-W338 VanDerWaalsContact OG-CH2 3.26Å; S331-W338 WeakPolarHBondContact OG-CH2 3.17Å; V336-W338 VanDerWaalsContact C-N 3.29Å; V336-W338 HydrophobicContact CB-CD2 4.09Å; V336-W338 HydrophobicContact CB-CG 4.3Å; V336-W338 HydrophobicContact CB-CZ2 4Å; V336-W338 HydrophobicContact CG1-CZ2 3.81Å; V336-W338 HydrophobicContact CG2-CD2 3.92Å; V336-W338 HydrophobicContact CG2-CE3 4.21Å; V336-W338 HydrophobicContact CG2-CG 4.5Å; V336-W338 HydrophobicContact CG2-CH2 4.18Å; V336-W338 HydrophobicContact CG2-CZ2 3.82Å; V336-W338 HydrophobicContact CG2-CZ3 4.33Å; V336-W338 PolarHBondContact O-N 2.94Å; W338-D340 PolarHBondContact O-N 2.93Å; W338-D340 VanDerWaalsContact O-N 3.13Å; W338-A372 HydrophobicContact CB-CB 3.87Å; W338-A372 HydrophobicContact CG-CB 4.04Å |
| 339 | M | 91.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | trans | -89.7 | 56.8 | 172.2 | -155.6 | 56.4 | 158.5 | 0 | 0 | 109.4 | A302 C303 F326 G327 T328 G329 V336 | A302-M339 WeakPolarHBondContact O-CE 3.42Å; C303-M339 HydrophobicContact CB-SD 3.72Å; F326-M339 HydrophobicContact CB-CE 4.16Å; G327-M339 CarbonylContact C-O 3.4Å; G327-M339 WeakPolarHBondContact CA-O 3.45Å; T328-M339 WeakPolarHBondContact OG1-CG 3.4Å; G329-M339 WeakPolarHBondContact CA-O 3.26Å; G329-M339 PolarHBondContact N-O 3.18Å; V336-M339 HydrophobicContact CG2-CB 3.63Å | ||
| 340 | D | 91.4 | Very high | 93.1 | Very high | 52 Ų | 52 | 56.2 Ų | 56.2 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -114.9 | 27 | -168 | 73.7 | -23.2 | 0 | 0 | 0 | 112.8 | R323 W338 R367 | R323-D340 WeakPolarHBondContact CD-OD1 3.04Å; R323-D340 IonicContact NE-OD1 3.75Å; R323-D340 IonicContact NH1-OD1 2.84Å; R323-D340 PolarHBondContact NH1-OD1 2.91Å; R323-D340 IonicContact NH1-OD2 2.59Å; R323-D340 PolarHBondContact NH1-OD2 2.86Å; W338-D340 PolarHBondContact O-N 2.93Å; W338-D340 VanDerWaalsContact O-N 3.13Å; D340-R367 PolarHBondContact O-NH2 3.41Å; D340-R367 IonicContact OD1-CZ 2.79Å; D340-R367 IonicContact OD1-NH1 2.91Å; D340-R367 IonicContact OD1-NH2 3.16Å; D340-R367 PolarHBondContact OD1-NH2 3.08Å; D340-R367 IonicContact OD2-CZ 3.31Å; D340-R367 IonicContact OD2-NH1 3.95Å; D340-R367 PolarHBondContact OD2-NH1 3.08Å; D340-R367 IonicContact OD2-NH2 3.94Å | ||
| 341 | S | 94 | Very high | 93.3 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -56.3 | 136.9 | -177.4 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | R323 G325 E345 | R323-S341 WeakPolarHBondContact O-CB 3.22Å; R323-S341 PolarHBondContact O-OG 3.15Å; G325-S341 PolarHBondContact N-OG 2.79Å; G325-S341 VanDerWaalsContact N-OG 3.17Å; G325-S341 WeakPolarHBondContact O-CB 3.35Å; G325-S341 PolarHBondContact O-OG 2.86Å; S341-E345 VanDerWaalsContact CA-OE2 3.23Å; S341-E345 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 342 | T | 92.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | trans | -70.1 | 165.5 | 171.1 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | E344 E345 V346 | T342-E344 PolarHBondContact O-N 3.44Å; T342-E345 PolarHBondContact N-OE2 2.81Å; T342-E345 WeakPolarHBondContact O-CB 3.3Å; T342-E345 PolarHBondContact O-N 2.92Å; T342-E345 VanDerWaalsContact O-N 3.09Å; T342-E345 WeakPolarHBondContact OG1-CG 3.4Å; T342-E345 PolarHBondContact OG1-N 2.92Å; T342-V346 WeakPolarHBondContact O-CG2 3.42Å; T342-V346 PolarHBondContact O-N 3.19Å | ||
| 343 | S | 94.4 | Very high | 93.7 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 76% | 0.762 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.8 | -34.3 | 178.4 | -49.5 | 0 | 0 | 0 | 0 | 113.5 | A347 | S343-A347 VanDerWaalsContact O-CB 3.32Å; S343-A347 WeakPolarHBondContact O-CB 3.23Å; S343-A347 PolarHBondContact O-N 3.03Å |
| 344 | E | 95.6 | Very high | 93.9 | Very high | 110 Ų | 110 | 55.1 Ų | 55.1 | 51% | 0.514 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.6 | -40.1 | 176.6 | -61.8 | 178.6 | 172.3 | 0 | 0 | 112 | T342 A347 L348 L364 P365 | T342-E344 PolarHBondContact O-N 3.44Å; E344-A347 PolarHBondContact O-N 3.1Å; E344-L348 PolarHBondContact O-N 3.23Å; E344-L348 VanDerWaalsContact O-N 3.13Å; E344-L364 HydrophobicContact CB-CD2 3.63Å; E344-P365 VanDerWaalsContact OE2-CD 3.29Å; E344-P365 WeakPolarHBondContact OE2-CD 3.41Å |
| 345 | E | 97.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 173.9 | -70.7 | 171.8 | 151.8 | 0 | 0 | 110.6 | L322 R323 I324 S341 T342 L348 W349 L364 R367 | L322-E345 WeakPolarHBondContact CA-OE1 3.37Å; R323-E345 PolarHBondContact N-OE1 3.08Å; R323-E345 WeakPolarHBondContact O-CB 3.46Å; R323-E345 VanDerWaalsContact O-OE2 3.06Å; I324-E345 HydrophobicContact CG1-CG 4.44Å; I324-E345 WeakPolarHBondContact CG2-O 3.11Å; S341-E345 VanDerWaalsContact CA-OE2 3.23Å; S341-E345 WeakPolarHBondContact CA-OE2 3.45Å; T342-E345 PolarHBondContact N-OE2 2.81Å; T342-E345 WeakPolarHBondContact O-CB 3.3Å; T342-E345 PolarHBondContact O-N 2.92Å; T342-E345 VanDerWaalsContact O-N 3.09Å; T342-E345 WeakPolarHBondContact OG1-CG 3.4Å; T342-E345 PolarHBondContact OG1-N 2.92Å; E345-L348 PolarHBondContact O-N 3.29Å; E345-W349 PolarHBondContact O-N 2.94Å; E345-L364 HydrophobicContact CG-CD1 4.06Å; E345-R367 IonicContact OE1-CZ 2.87Å; E345-R367 IonicContact OE1-NE 2.91Å; E345-R367 PolarHBondContact OE1-NE 2.81Å; E345-R367 IonicContact OE1-NH2 3.68Å; E345-R367 IonicContact OE2-CZ 3.52Å; E345-R367 IonicContact OE2-NE 2.71Å; E345-R367 PolarHBondContact OE2-NE 2.85Å; E345-R367 IonicContact OE2-NH2 3.4Å; E345-R367 PolarHBondContact OE2-NH2 3.19Å |
| 346 | V | 97.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 111 | G325 T342 L348 W349 E350 | G325-V346 WeakPolarHBondContact O-CA 3.3Å; G325-V346 WeakPolarHBondContact O-CG2 3.3Å; T342-V346 WeakPolarHBondContact O-CG2 3.42Å; T342-V346 PolarHBondContact O-N 3.19Å; V346-L348 VanDerWaalsContact C-N 3.27Å; V346-L348 PolarHBondContact O-N 3.33Å; V346-W349 PolarHBondContact O-N 3.07Å; V346-W349 VanDerWaalsContact O-N 3.08Å; V346-E350 HydrophobicContact CG1-CG 4.01Å; V346-E350 WeakPolarHBondContact O-CB 3.17Å; V346-E350 WeakPolarHBondContact O-CG 3.41Å; V346-E350 PolarHBondContact O-N 3.09Å |
| 347 | A | 97.9 | Very high | 94.7 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 44% | 0.438 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.1 | -37.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S343 E344 K351 | S343-A347 VanDerWaalsContact O-CB 3.32Å; S343-A347 WeakPolarHBondContact O-CB 3.23Å; S343-A347 PolarHBondContact O-N 3.03Å; E344-A347 PolarHBondContact O-N 3.1Å; A347-K351 VanDerWaalsContact O-CB 3.23Å; A347-K351 WeakPolarHBondContact O-CB 3.49Å; A347-K351 PolarHBondContact O-N 3.07Å |
| 348 | L | 98.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 174.6 | 179.4 | 63.6 | 0 | 0 | 0 | 111.7 | L216 L218 I324 E344 E345 V346 K351 M352 V360 A362 L364 | L216-L348 HydrophobicContact CD1-CD2 4.32Å; L216-L348 HydrophobicContact CG-CD2 4.36Å; L218-L348 HydrophobicContact CD1-CD2 4Å; L218-L348 HydrophobicContact CD1-CG 4Å; L218-L348 HydrophobicContact CG-CD2 4.22Å; L218-L348 HydrophobicContact CG-CG 4.41Å; I324-L348 HydrophobicContact CD1-CD2 4.16Å; I324-L348 HydrophobicContact CG2-CB 4.42Å; I324-L348 HydrophobicContact CG2-CD2 4.15Å; I324-L348 HydrophobicContact CG2-CG 4.42Å; E344-L348 PolarHBondContact O-N 3.23Å; E344-L348 VanDerWaalsContact O-N 3.13Å; E345-L348 PolarHBondContact O-N 3.29Å; V346-L348 VanDerWaalsContact C-N 3.27Å; V346-L348 PolarHBondContact O-N 3.33Å; L348-K351 PolarHBondContact O-N 3.04Å; L348-M352 PolarHBondContact O-N 3.17Å; L348-M352 VanDerWaalsContact O-N 3.1Å; L348-V360 HydrophobicContact CD1-CB 4.29Å; L348-V360 HydrophobicContact CD1-CG2 3.84Å; L348-A362 HydrophobicContact CD1-CB 3.88Å; L348-A362 HydrophobicContact CD2-CB 4.08Å; L348-A362 HydrophobicContact CG-CB 4.38Å; L348-L364 HydrophobicContact CD2-CD1 3.82Å |
| 349 | W | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 179.1 | -167.7 | -105.9 | 0 | 0 | 0 | 111.8 | L218 V236 L299 V304 I324 F326 E345 V346 K351 M352 V353 | L218-W349 HydrophobicContact CD1-CE3 3.87Å; L218-W349 HydrophobicContact CD1-CZ3 4.19Å; V236-W349 HydrophobicContact CG1-CH2 4.37Å; V236-W349 HydrophobicContact CG1-CZ3 4.42Å; L299-W349 HydrophobicContact CD2-CZ2 4.42Å; L299-W349 PolarHBondContact O-NE1 3.46Å; V304-W349 HydrophobicContact CB-CZ3 4.32Å; V304-W349 HydrophobicContact CG2-CE3 4.43Å; V304-W349 HydrophobicContact CG2-CH2 3.83Å; V304-W349 HydrophobicContact CG2-CZ3 3.41Å; V304-W349 VanDerWaalsContact CG2-CZ3 3.41Å; I324-W349 HydrophobicContact CG2-CB 4.09Å; I324-W349 HydrophobicContact CG2-CE3 4.02Å; F326-W349 AromaticContact CD2-CD1 3.38Å; F326-W349 AromaticContact CD2-NE1 3.44Å; F326-W349 AromaticContact CE2-CD1 3.37Å; F326-W349 AromaticContact CE2-NE1 3.39Å; F326-W349 AromaticContact CG-CD1 3.98Å; F326-W349 AromaticContact CZ-CD1 4Å; E345-W349 PolarHBondContact O-N 2.94Å; V346-W349 PolarHBondContact O-N 3.07Å; V346-W349 VanDerWaalsContact O-N 3.08Å; W349-K351 VanDerWaalsContact C-N 3.3Å; W349-K351 PolarHBondContact O-N 2.91Å; W349-M352 HydrophobicContact CD2-CE 3.96Å; W349-M352 HydrophobicContact CE3-CE 3.75Å; W349-M352 HydrophobicContact CE3-SD 4.48Å; W349-M352 HydrophobicContact CH2-CE 3.78Å; W349-M352 HydrophobicContact CZ2-CE 3.98Å; W349-M352 HydrophobicContact CZ3-CE 3.64Å; W349-M352 HydrophobicContact CZ3-SD 4.28Å; W349-M352 WeakPolarHBondContact O-CB 3.42Å; W349-M352 PolarHBondContact O-N 3.33Å; W349-M352 VanDerWaalsContact O-N 3.11Å; W349-V353 WeakPolarHBondContact O-CG2 3.26Å; W349-V353 PolarHBondContact O-N 2.86Å |
| 350 | E | 97.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 55.2 Ų | 55.2 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 177 | -74.9 | -175.6 | 163.3 | 0 | 0 | 111.8 | F326 V346 M352 V353 N354 | F326-E350 HydrophobicContact CD1-CG 3.97Å; F326-E350 HydrophobicContact CE1-CG 3.54Å; F326-E350 HydrophobicContact CZ-CG 4.37Å; V346-E350 HydrophobicContact CG1-CG 4.01Å; V346-E350 WeakPolarHBondContact O-CB 3.17Å; V346-E350 WeakPolarHBondContact O-CG 3.41Å; V346-E350 PolarHBondContact O-N 3.09Å; E350-M352 VanDerWaalsContact C-N 3.3Å; E350-M352 PolarHBondContact O-N 2.98Å; E350-V353 PolarHBondContact O-N 2.92Å; E350-N354 WeakPolarHBondContact O-CB 3.3Å; E350-N354 VanDerWaalsContact O-CG 3.3Å; E350-N354 PolarHBondContact O-N 2.78Å; E350-N354 PolarHBondContact O-ND2 2.92Å |
| 351 | K | 97.7 | Very high | 96.4 | Very high | 117 Ų | 117 | 56.9 Ų | 56.9 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 178 | -165.4 | -177.1 | 175.5 | 177.4 | 0 | 111.8 | A347 L348 W349 S355 V360 | A347-K351 VanDerWaalsContact O-CB 3.23Å; A347-K351 WeakPolarHBondContact O-CB 3.49Å; A347-K351 PolarHBondContact O-N 3.07Å; L348-K351 PolarHBondContact O-N 3.04Å; W349-K351 VanDerWaalsContact C-N 3.3Å; W349-K351 PolarHBondContact O-N 2.91Å; K351-S355 VanDerWaalsContact O-CB 3.25Å; K351-S355 WeakPolarHBondContact O-CB 3.08Å; K351-S355 PolarHBondContact O-N 3.49Å; K351-S355 VanDerWaalsContact O-N 3.13Å; K351-S355 PolarHBondContact O-OG 3.29Å; K351-V360 HydrophobicContact CB-CG1 4.32Å; K351-V360 HydrophobicContact CD-CB 4.1Å; K351-V360 HydrophobicContact CD-CG1 4Å; K351-V360 HydrophobicContact CG-CB 4.23Å; K351-V360 HydrophobicContact CG-CG1 3.75Å |
| 352 | M | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 175.6 | -177.2 | -160.1 | 63.9 | 0 | 0 | 110.9 | L218 V236 L299 L348 W349 E350 N354 S355 V360 | L218-M352 HydrophobicContact CB-CB 4.23Å; L218-M352 HydrophobicContact CB-CG 3.94Å; L218-M352 HydrophobicContact CB-SD 3.61Å; L218-M352 HydrophobicContact CD1-SD 4.22Å; V236-M352 HydrophobicContact CG1-SD 4.08Å; L299-M352 HydrophobicContact CD2-CE 4.43Å; L348-M352 PolarHBondContact O-N 3.17Å; L348-M352 VanDerWaalsContact O-N 3.1Å; W349-M352 HydrophobicContact CD2-CE 3.96Å; W349-M352 HydrophobicContact CE3-CE 3.75Å; W349-M352 HydrophobicContact CE3-SD 4.48Å; W349-M352 HydrophobicContact CH2-CE 3.78Å; W349-M352 HydrophobicContact CZ2-CE 3.98Å; W349-M352 HydrophobicContact CZ3-CE 3.64Å; W349-M352 HydrophobicContact CZ3-SD 4.28Å; W349-M352 WeakPolarHBondContact O-CB 3.42Å; W349-M352 PolarHBondContact O-N 3.33Å; W349-M352 VanDerWaalsContact O-N 3.11Å; E350-M352 VanDerWaalsContact C-N 3.3Å; E350-M352 PolarHBondContact O-N 2.98Å; M352-N354 VanDerWaalsContact C-N 3.29Å; M352-N354 PolarHBondContact O-N 2.91Å; M352-S355 CarbonylContact O-C 3.6Å; M352-S355 PolarHBondContact O-N 3.46Å; M352-S355 VanDerWaalsContact O-N 3.15Å; M352-V360 HydrophobicContact CB-CG2 3.53Å; M352-V360 HydrophobicContact CG-CG2 4.23Å |
| 353 | V | 95.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | -178.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | L299 F326 W349 E350 S355 | L299-V353 HydrophobicContact CB-CG2 4.21Å; L299-V353 HydrophobicContact CD1-CG1 4.38Å; L299-V353 HydrophobicContact CD1-CG2 4.34Å; F326-V353 HydrophobicContact CE2-CG2 4.24Å; F326-V353 HydrophobicContact CZ-CG2 4.26Å; W349-V353 WeakPolarHBondContact O-CG2 3.26Å; W349-V353 PolarHBondContact O-N 2.86Å; E350-V353 PolarHBondContact O-N 2.92Å; V353-S355 VanDerWaalsContact C-N 3.31Å; V353-S355 PolarHBondContact O-N 2.87Å |
| 354 | N | 95.7 | Very high | 97 | Very high | 128 Ų | 128 | 52.5 Ų | 52.5 | 68% | 0.684 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -78.7 | -9.9 | -179.9 | -69 | -40.7 | 0 | 0 | 0 | 114.3 | E350 M352 P356 | E350-N354 WeakPolarHBondContact O-CB 3.3Å; E350-N354 VanDerWaalsContact O-CG 3.3Å; E350-N354 PolarHBondContact O-N 2.78Å; E350-N354 PolarHBondContact O-ND2 2.92Å; M352-N354 VanDerWaalsContact C-N 3.29Å; M352-N354 PolarHBondContact O-N 2.91Å; N354-P356 VanDerWaalsContact C-CD 3.48Å |
| 355 | S | 95.6 | Very high | 97 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -126.4 | 65.4 | -178.9 | -45.9 | 0 | 0 | 0 | 0 | 112.2 | K351 M352 V353 T358 | K351-S355 VanDerWaalsContact O-CB 3.25Å; K351-S355 WeakPolarHBondContact O-CB 3.08Å; K351-S355 PolarHBondContact O-N 3.49Å; K351-S355 VanDerWaalsContact O-N 3.13Å; K351-S355 PolarHBondContact O-OG 3.29Å; M352-S355 CarbonylContact O-C 3.6Å; M352-S355 PolarHBondContact O-N 3.46Å; M352-S355 VanDerWaalsContact O-N 3.15Å; V353-S355 VanDerWaalsContact C-N 3.31Å; V353-S355 PolarHBondContact O-N 2.87Å; S355-T358 VanDerWaalsContact O-CB 3.31Å; S355-T358 WeakPolarHBondContact O-CB 3.33Å; S355-T358 PolarHBondContact O-N 2.98Å; S355-T358 VanDerWaalsContact O-N 3.16Å |
| 356 | P | 93.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 148.5 | 179.2 | -23.3 | 33.1 | 0 | 0 | 0 | 112.5 | P222 N354 T358 | P222-P356 HydrophobicContact CG-CB 4.03Å; N354-P356 VanDerWaalsContact C-CD 3.48Å; P356-T358 PolarHBondContact O-N 3.47Å; P356-T358 VanDerWaalsContact O-N 3.09Å; P356-T358 PolarHBondContact O-OG1 2.99Å |
| 357 | N | 94.9 | Very high | 96.5 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 12 | -176.7 | -53.4 | -64.3 | 0 | 0 | 0 | 114.8 | Q219 Y220 | Q219-N357 PolarHBondContact NE2-O 2.82Å; Y220-N357 PolarHBondContact O-N 3.09Å |
| 358 | T | 97.8 | Very high | 95.7 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 27% | 0.274 | S | S | . | . | trans | -117 | 132.9 | 179 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | S355 P356 V360 | S355-T358 VanDerWaalsContact O-CB 3.31Å; S355-T358 WeakPolarHBondContact O-CB 3.33Å; S355-T358 PolarHBondContact O-N 2.98Å; S355-T358 VanDerWaalsContact O-N 3.16Å; P356-T358 PolarHBondContact O-N 3.47Å; P356-T358 VanDerWaalsContact O-N 3.09Å; P356-T358 PolarHBondContact O-OG1 2.99Å; T358-V360 PolarHBondContact O-N 3.36Å | ||
| 359 | W | 98.2 | Very high | 94.8 | Very high | 96 Ų | 96 | 52.2 Ų | 52.2 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | trans | -72.5 | 124.6 | 170 | -74.7 | 98.9 | 0 | 0 | 0 | 110.2 | A217 L218 Q219 H237 W239 T288 | A217-W359 HydrophobicContact CB-CE3 3.64Å; A217-W359 HydrophobicContact CB-CZ3 4.21Å; A217-W359 WeakPolarHBondContact O-CZ3 3.2Å; L218-W359 WeakPolarHBondContact O-CA 3.16Å; Q219-W359 HydrophobicContact CB-CD2 3.73Å; Q219-W359 HydrophobicContact CB-CE3 3.72Å; Q219-W359 HydrophobicContact CB-CG 4.24Å; Q219-W359 HydrophobicContact CB-CH2 4.33Å; Q219-W359 HydrophobicContact CB-CZ2 4.3Å; Q219-W359 HydrophobicContact CB-CZ3 4.03Å; H237-W359 HydrophobicContact CB-CH2 3.58Å; H237-W359 HydrophobicContact CB-CZ2 4.13Å; H237-W359 HydrophobicContact CB-CZ3 4.18Å; W239-W359 HydrophobicContact CB-CE3 4.37Å; W239-W359 HydrophobicContact CB-CH2 3.78Å; W239-W359 HydrophobicContact CB-CZ3 3.53Å; W239-W359 HydrophobicContact CE3-CE3 4.49Å; T288-W359 HydrophobicContact CG2-CH2 4.07Å | ||
| 360 | V | 98.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.3 | 172.7 | -60.7 | 0 | 0 | 0 | 0 | 109 | A217 L218 L348 K351 M352 T358 | A217-V360 CarbonylContact C-O 3.53Å; A217-V360 WeakPolarHBondContact CA-O 3.37Å; A217-V360 WeakPolarHBondContact CB-O 3.29Å; L218-V360 HydrophobicContact CB-CG2 4.1Å; L218-V360 PolarHBondContact N-O 3.35Å; L218-V360 WeakPolarHBondContact O-CG2 3.37Å; L218-V360 PolarHBondContact O-N 3.07Å; L348-V360 HydrophobicContact CD1-CB 4.29Å; L348-V360 HydrophobicContact CD1-CG2 3.84Å; K351-V360 HydrophobicContact CB-CG1 4.32Å; K351-V360 HydrophobicContact CD-CB 4.1Å; K351-V360 HydrophobicContact CD-CG1 4Å; K351-V360 HydrophobicContact CG-CB 4.23Å; K351-V360 HydrophobicContact CG-CG1 3.75Å; M352-V360 HydrophobicContact CB-CG2 3.53Å; M352-V360 HydrophobicContact CG-CG2 4.23Å; T358-V360 PolarHBondContact O-N 3.36Å |
| 361 | E | 98.2 | Very high | 91.2 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.7 | -171.2 | 178 | 168.7 | 179.1 | 0 | 0 | 111.4 | K215 L216 A217 K241 | K215-E361 WeakPolarHBondContact CE-OE1 3.17Å; K215-E361 IonicContact NZ-OE1 3.92Å; L216-E361 WeakPolarHBondContact O-CA 3.11Å; A217-E361 HydrophobicContact CB-CB 4.1Å; K241-E361 IonicContact NZ-OE1 3.74Å; K241-E361 PolarHBondContact NZ-OE1 2.77Å; K241-E361 IonicContact NZ-OE2 3.33Å; K241-E361 PolarHBondContact NZ-OE2 3.29Å |
| 362 | A | 98 | Very high | 88.6 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 161.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K215 L216 L348 L364 | K215-A362 WeakPolarHBondContact CA-O 3.47Å; L216-A362 PolarHBondContact N-O 2.97Å; L216-A362 PolarHBondContact O-N 3.33Å; L216-A362 VanDerWaalsContact O-O 3.13Å; L348-A362 HydrophobicContact CD1-CB 3.88Å; L348-A362 HydrophobicContact CD2-CB 4.08Å; L348-A362 HydrophobicContact CG-CB 4.38Å; A362-L364 HydrophobicContact CB-CD2 4.33Å; A362-L364 HydrophobicContact CB-CG 4.28Å |
| 363 | T | 98.1 | Very high | 85.7 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.9 | 164.8 | -59.2 | 0 | 0 | 0 | 0 | 107.1 | E213 M214 | E213-T363 HydrophobicContact CB-CG2 3.7Å; E213-T363 HydrophobicContact CG-CG2 4.41Å; E213-T363 VanDerWaalsContact OE2-CG2 3.23Å; E213-T363 WeakPolarHBondContact OE2-CG2 3.21Å; M214-T363 WeakPolarHBondContact O-CA 3.17Å |
| 364 | L | 97.1 | Very high | 82.8 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.1 | -174.5 | -63.6 | 176.2 | 0 | 0 | 0 | 110.8 | E213 M214 L216 L322 I324 E344 E345 L348 A362 L366 | E213-L364 CarbonylContact C-O 3.39Å; E213-L364 WeakPolarHBondContact CA-O 3.19Å; M214-L364 PolarHBondContact N-O 3.03Å; M214-L364 PolarHBondContact O-N 3.47Å; L216-L364 HydrophobicContact CD2-CD1 4.24Å; L322-L364 HydrophobicContact CD1-CB 3.81Å; L322-L364 HydrophobicContact CD1-CD1 4.07Å; L322-L364 HydrophobicContact CD2-CB 3.79Å; L322-L364 HydrophobicContact CG-CB 4.47Å; I324-L364 HydrophobicContact CD1-CD1 3.96Å; I324-L364 HydrophobicContact CG1-CD1 4.27Å; E344-L364 HydrophobicContact CB-CD2 3.63Å; E345-L364 HydrophobicContact CG-CD1 4.06Å; L348-L364 HydrophobicContact CD2-CD1 3.82Å; A362-L364 HydrophobicContact CB-CD2 4.33Å; A362-L364 HydrophobicContact CB-CG 4.28Å; L364-L366 PolarHBondContact O-N 3.1Å |
| 365 | P | 95 | Very high | 79.7 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.5 | 178.9 | 28.4 | -34 | 0 | 0 | 0 | 110.8 | L322 E344 | L322-P365 WeakPolarHBondContact CD2-O 3.34Å; E344-P365 VanDerWaalsContact OE2-CD 3.29Å; E344-P365 WeakPolarHBondContact OE2-CD 3.41Å |
| 366 | L | 94.1 | Very high | 76.4 | Confident | 9 Ų | 9 | 72.4 Ų | 72.4 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | trans | -69.1 | 137.8 | 176.3 | -67.7 | 171.9 | 0 | 0 | 0 | 110 | R211 G212 M214 L246 V308 L322 L364 | R211-L366 HydrophobicContact CB-CB 3.84Å; R211-L366 WeakPolarHBondContact CB-O 3.21Å; R211-L366 WeakPolarHBondContact O-CD1 3.42Å; G212-L366 WeakPolarHBondContact O-CB 3.48Å; G212-L366 PolarHBondContact O-N 3.22Å; M214-L366 HydrophobicContact CB-CD2 4.01Å; M214-L366 HydrophobicContact CB-CG 4.42Å; M214-L366 HydrophobicContact CE-CD2 4.22Å; L246-L366 HydrophobicContact CD2-CD1 3.42Å; L246-L366 VanDerWaalsContact CD2-CD1 3.42Å; V308-L366 HydrophobicContact CG2-CD1 3.87Å; V308-L366 HydrophobicContact CG2-CD2 3.89Å; L322-L366 HydrophobicContact CD2-CD2 4.27Å; L322-L366 HydrophobicContact CG-CD2 3.99Å; L364-L366 PolarHBondContact O-N 3.1Å | ||
| 367 | R | 89.8 | Confident | 75.6 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 17% | 0.17 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 162.6 | 179.3 | 51.8 | 177.4 | -171.2 | 107.4 | -14.2 | 111.7 | G320 G321 D340 E345 L369 | G320-R367 CarbonylContact C-O 3.59Å; G320-R367 WeakPolarHBondContact CA-O 3.44Å; G321-R367 PolarHBondContact N-O 2.83Å; G321-R367 WeakPolarHBondContact O-CG 3.15Å; G321-R367 PolarHBondContact O-N 2.83Å; D340-R367 PolarHBondContact O-NH2 3.41Å; D340-R367 IonicContact OD1-CZ 2.79Å; D340-R367 IonicContact OD1-NH1 2.91Å; D340-R367 IonicContact OD1-NH2 3.16Å; D340-R367 PolarHBondContact OD1-NH2 3.08Å; D340-R367 IonicContact OD2-CZ 3.31Å; D340-R367 IonicContact OD2-NH1 3.95Å; D340-R367 PolarHBondContact OD2-NH1 3.08Å; D340-R367 IonicContact OD2-NH2 3.94Å; E345-R367 IonicContact OE1-CZ 2.87Å; E345-R367 IonicContact OE1-NE 2.91Å; E345-R367 PolarHBondContact OE1-NE 2.81Å; E345-R367 IonicContact OE1-NH2 3.68Å; E345-R367 IonicContact OE2-CZ 3.52Å; E345-R367 IonicContact OE2-NE 2.71Å; E345-R367 PolarHBondContact OE2-NE 2.85Å; E345-R367 IonicContact OE2-NH2 3.4Å; E345-R367 PolarHBondContact OE2-NH2 3.19Å; R367-L369 HydrophobicContact CG-CD2 3.81Å; R367-L369 PolarHBondContact O-N 2.99Å |
| 368 | M | 81.4 | Confident | 74.6 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 30% | 0.296 | 37% | 0.371 | S | S | . | . | trans | -72.5 | 124.8 | 166.1 | -74.6 | -62.2 | -61.1 | 0 | 0 | 108.5 | Y61 R211 F318 | Y61-M368 HydrophobicContact CG-CE 4.29Å; R211-M368 PolarHBondContact NH1-SD 3.49Å; F318-M368 HydrophobicContact CD1-CE 3.98Å; F318-M368 HydrophobicContact CD1-SD 3.92Å; F318-M368 HydrophobicContact CE1-CE 3.98Å; F318-M368 HydrophobicContact CE1-SD 3.71Å | ||
| 369 | L | 79.6 | Confident | 73.3 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | trans | -98.7 | 138.8 | 177.1 | -57.5 | -175.3 | 0 | 0 | 0 | 110.7 | E305 T307 F318 R323 R367 I371 | E305-L369 HydrophobicContact CG-CD1 3.95Å; T307-L369 HydrophobicContact CG2-CD1 3.97Å; F318-L369 HydrophobicContact CZ-CB 4.36Å; F318-L369 HydrophobicContact CZ-CG 4.34Å; R323-L369 HydrophobicContact CG-CD1 4.07Å; R323-L369 HydrophobicContact CG-CD2 4.18Å; R367-L369 HydrophobicContact CG-CD2 3.81Å; R367-L369 PolarHBondContact O-N 2.99Å; L369-I371 PolarHBondContact O-N 2.73Å | ||
| 370 | L | 63.8 | Low | 71.8 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | trans | -75.9 | 107.5 | 164.9 | -66.8 | 170 | 0 | 0 | 0 | 107.5 | A202 R323 A372 | A202-L370 HydrophobicContact CB-CD1 4.33Å; R323-L370 VanDerWaalsContact CZ-O 3.32Å; R323-L370 PolarHBondContact NH1-O 3.07Å; R323-L370 PolarHBondContact NH2-O 3.34Å; L370-A372 PolarHBondContact O-N 3.02Å | ||
| 371 | I | 55.8 | Low | 70.1 | Confident | 134 Ų | 134 | 74.4 Ų | 74.4 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 119 | -177.5 | -60.2 | 173.4 | 0 | 0 | 0 | 109.7 | L369 K373 | L369-I371 PolarHBondContact O-N 2.73Å; I371-K373 PolarHBondContact O-N 3.37Å |
| 372 | A | 43.7 | Very low | 68.3 | Low | 15 Ų | 15 | 73.5 Ų | 73.5 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 127.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L263 W338 L370 L374 | L263-A372 HydrophobicContact CD1-CB 4.36Å; W338-A372 HydrophobicContact CB-CB 3.87Å; W338-A372 HydrophobicContact CG-CB 4.04Å; L370-A372 PolarHBondContact O-N 3.02Å; A372-L374 PolarHBondContact O-N 3.12Å |
| 373 | K | 36.7 | Very low | 66.2 | Low | 104 Ų | 104 | 76.9 Ų | 76.9 | 45% | 0.452 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 132.6 | 174 | -83.4 | 179.5 | 173 | 170 | 0 | 109.6 | D64 I371 S375 | D64-K373 WeakPolarHBondContact OD1-CE 3.25Å; D64-K373 IonicContact OD1-NZ 3.89Å; D64-K373 PolarHBondContact OD1-NZ 3.27Å; I371-K373 PolarHBondContact O-N 3.37Å; K373-S375 VanDerWaalsContact C-N 3.31Å; K373-S375 PolarHBondContact O-N 3.21Å |
| 374 | L | 33.3 | Very low | 63.7 | Low | 123 Ų | 123 | 78.2 Ų | 78.2 | 64% | 0.644 | 40% | 0.402 | S | S | * | . | trans | -65.5 | 96.6 | 152.9 | -76.9 | 155.8 | 0 | 0 | 0 | 106.5 | T266 A372 K376 | T266-L374 WeakPolarHBondContact OG1-CD2 3.3Å; A372-L374 PolarHBondContact O-N 3.12Å; L374-K376 PolarHBondContact O-N 2.97Å | ||
| 375 | S | 30.8 | Very low | 60.9 | Low | 116 Ų | 116 | 84.4 Ų | 84.4 | 81% | 0.811 | 43% | 0.433 | S | S | * | . | trans | -64.6 | 124.5 | 155.4 | 51.9 | 0 | 0 | 0 | 0 | 106.4 | K373 | K373-S375 VanDerWaalsContact C-N 3.31Å; K373-S375 PolarHBondContact O-N 3.21Å | ||
| 376 | K | 27.2 | Very low | 57.8 | Low | 273 Ų | 273 | 86.4 Ų | 86.4 | 100% | 1.187 | 44% | 0.435 | S | S | * | . | trans | -89.8 | 0 | 169.5 | -97.7 | -169 | 176.6 | -172.8 | 0 | 109.4 | L374 | L374-K376 PolarHBondContact O-N 2.97Š|
Retrieved 376 of 376 residues in 1430.3 ms
(Link to these results)