| 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 | 35.7 | Very low | 33.5 | Very low | 251 Ų | 251 | 156.9 Ų | 156.9 | 100% | 1.236 | 85% | 0.849 | S | S | * | * | 0 | 108.9 | 0 | -83 | 163.6 | 119.5 | 0 | 0 | 108.6 | |||||
| 2 | A | 36.4 | Very low | 33.2 | Very low | 93 Ų | 93 | 153.6 Ų | 153.6 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | trans | -89.4 | 165.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | P | 49 | Very low | 32.9 | Very low | 123 Ų | 123 | 158.7 Ų | 158.7 | 80% | 0.799 | 85% | 0.845 | S | S | * | * | -137.9 | 145.2 | 83.2 | 24.3 | -3.1 | 0 | 0 | 0 | 112.3 | |||||
| 4 | A | 35.5 | Very low | 32.6 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | 67.3 | 110.4 | 67.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 5 | G | 29.6 | Very low | 32.5 | Very low | 86 Ų | 86 | 162.4 Ų | 162.4 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | trans | -169.1 | 99.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | R | 33.5 | Very low | 32.9 | Very low | 238 Ų | 238 | 159.8 Ų | 159.8 | 90% | 0.898 | 85% | 0.847 | S | S | * | * | trans | -92.6 | 169.4 | 178.8 | -90.3 | -179.3 | 171.6 | -169 | -1.6 | 112 | ||||
| 7 | K | 32.6 | Very low | 32.7 | Very low | 189 Ų | 189 | 157.6 Ų | 157.6 | 82% | 0.822 | 85% | 0.848 | S | S | * | * | trans | 101.7 | 139.1 | 153.6 | -65 | -171.5 | -179.1 | -178.3 | 0 | 114.4 | ||||
| 8 | L | 30.9 | Very low | 32.8 | Very low | 157 Ų | 157 | 162.3 Ų | 162.3 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | cis | -156.6 | 145.3 | 21.4 | -118.3 | 142.2 | 0 | 0 | 0 | 111 | ||||
| 9 | Q | 28.2 | Very low | 33.5 | Very low | 166 Ų | 166 | 159.5 Ų | 159.5 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | trans | -75.9 | 149 | 164.1 | -68.5 | 166.7 | -42.5 | 0 | 0 | 110.1 | ||||
| 10 | H | 28.9 | Very low | 33.4 | Very low | 181 Ų | 181 | 158.8 Ų | 158.8 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | trans | -130.3 | 111.8 | 149 | -149 | 44 | 0 | 0 | 0 | 109.6 | ||||
| 11 | E | 28.6 | Very low | 33.4 | Very low | 141 Ų | 141 | 158.5 Ų | 158.5 | 66% | 0.659 | 84% | 0.844 | S | S | * | * | trans | -75.3 | 147.3 | 168.3 | -68.7 | 179.2 | 122.7 | 0 | 0 | 109.8 | ||||
| 12 | S | 29.5 | Very low | 33.2 | Very low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -135.5 | 95.6 | 157.7 | -44.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 13 | R | 29.5 | Very low | 32.9 | Very low | 220 Ų | 220 | 158.7 Ų | 158.7 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | trans | -91.4 | 134.5 | 162.9 | -79.7 | -177.7 | 177.2 | -158.2 | -0.1 | 108.2 | ||||
| 14 | C | 27.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 164.9 Ų | 164.9 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | 177.9 | 97.3 | 127.7 | -95.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 15 | R | 31.9 | Very low | 31.8 | Very low | 247 Ų | 247 | 164.7 Ų | 164.7 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | 27.6 | 164.6 | 120.8 | -96.3 | -165.4 | -174 | -167.9 | 3.9 | 122.2 | |||||
| 16 | P | 39.2 | Very low | 31.9 | Very low | 120 Ų | 120 | 165.3 Ų | 165.3 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | -115.2 | 172.7 | -119.7 | 43.2 | -32.3 | 0 | 0 | 0 | 114.4 | |||||
| 17 | S | 29.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 157.9 Ų | 157.9 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -142.8 | 124.7 | 164 | 42.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | R | 34.2 | Very low | 31.7 | Very low | 242 Ų | 242 | 154.9 Ų | 154.9 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -106.6 | -175.3 | 154.6 | -76.1 | -174.4 | 168.4 | -177.5 | -2.4 | 106.6 | ||||
| 19 | P | 45.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | -120.1 | 172.3 | -66.3 | 35.5 | -20.2 | 0 | 0 | 0 | 109.5 | |||||
| 20 | V | 33.1 | Very low | 31.8 | Very low | 146 Ų | 146 | 156.8 Ų | 156.8 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -139.3 | 130.5 | 165.3 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 21 | D | 31.8 | Very low | 31.8 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -66 | 159.9 | 177.8 | -57.7 | -64 | 0 | 0 | 0 | 114.6 | ||||
| 22 | A | 32.2 | Very low | 31.8 | Very low | 93 Ų | 93 | 156.5 Ų | 156.5 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -171.1 | 98.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | W | 30.9 | Very low | 31.8 | Very low | 256 Ų | 256 | 156.7 Ų | 156.7 | 97% | 0.97 | 83% | 0.831 | S | S | * | * | trans | -142.4 | 114.2 | 155.6 | -91.2 | 88.4 | 0 | 0 | 0 | 109.2 | ||||
| 24 | R | 30.7 | Very low | 31.9 | Very low | 252 Ų | 252 | 155.9 Ų | 155.9 | 95% | 0.951 | 84% | 0.839 | S | S | * | * | trans | 161.2 | 140 | 164 | -93.9 | 172.9 | -165.9 | -153.1 | 5.6 | 104.7 | ||||
| 25 | A | 30.7 | Very low | 31.9 | Very low | 98 Ų | 98 | 153.5 Ų | 153.5 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | cis | -149.8 | -174.8 | 10.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 26 | A | 30.8 | Very low | 32 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | cis | -168.1 | 164.7 | 29.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 27 | A | 30.5 | Very low | 32.2 | Very low | 81 Ų | 81 | 148.8 Ų | 148.8 | 67% | 0.669 | 84% | 0.835 | S | S | * | * | trans | -84.1 | 161.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 28 | T | 31.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | 59 | 124.6 | 144.4 | 49.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 29 | T | 31 | Very low | 32.1 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | -178 | 141.5 | 107.4 | 18.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 30 | R | 31.1 | Very low | 31.4 | Very low | 241 Ų | 241 | 146.8 Ų | 146.8 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | 63.2 | 136.4 | 144.6 | -66.8 | 170.3 | 176.5 | -175.2 | -1.3 | 118.6 | ||||
| 31 | G | 27.1 | Very low | 31.3 | Very low | 70 Ų | 70 | 151.9 Ų | 151.9 | 72% | 0.722 | 85% | 0.845 | S | S | * | * | cis | 125.3 | 123.5 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 32 | R | 29.7 | Very low | 31.6 | Very low | 245 Ų | 245 | 156.7 Ų | 156.7 | 93% | 0.925 | 85% | 0.852 | S | S | * | * | trans | 146.6 | 115.7 | 154.9 | -87.6 | 176.1 | 171.9 | -150.8 | -2.3 | 109.9 | ||||
| 33 | C | 29.1 | Very low | 31.5 | Very low | 121 Ų | 121 | 157.2 Ų | 157.2 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | 82.5 | 116.4 | 65.2 | -74.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 34 | M | 31.8 | Very low | 31.6 | Very low | 203 Ų | 203 | 156.8 Ų | 156.8 | 100% | 1 | 86% | 0.855 | S | S | * | * | trans | 170.4 | 138.1 | 142.6 | -80.2 | -124.9 | -89.2 | 0 | 0 | 105.5 | ||||
| 35 | G | 28.6 | Very low | 32 | Very low | 76 Ų | 76 | 157 Ų | 157 | 78% | 0.784 | 86% | 0.856 | S | S | * | * | cis | 158.1 | 129.9 | 10.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 36 | T | 33.3 | Very low | 32 | Very low | 139 Ų | 139 | 155.6 Ų | 155.6 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | trans | -80.6 | 174.3 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 37 | P | 44.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 154.4 Ų | 154.4 | 84% | 0.838 | 85% | 0.848 | S | S | * | * | -160.7 | 173.9 | 74.8 | 39.7 | -16.3 | 0 | 0 | 0 | 118.7 | |||||
| 38 | G | 29.8 | Very low | 32.9 | Very low | 79 Ų | 79 | 162.2 Ų | 162.2 | 81% | 0.814 | 86% | 0.86 | S | S | * | * | trans | 109 | 129.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 39 | A | 30.8 | Very low | 33.3 | Very low | 106 Ų | 106 | 159.9 Ų | 159.9 | 88% | 0.876 | 86% | 0.861 | S | S | * | * | cis | -156.1 | 151.1 | 14.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 40 | R | 31.8 | Very low | 34 | Very low | 248 Ų | 248 | 161.8 Ų | 161.8 | 94% | 0.936 | 87% | 0.866 | S | S | * | * | trans | -83.6 | 138.9 | 171.7 | -74.4 | 174.5 | 170.3 | 177.1 | -2.9 | 110.6 | ||||
| 41 | R | 30.7 | Very low | 34.6 | Very low | 253 Ų | 253 | 154.4 Ų | 154.4 | 96% | 0.955 | 85% | 0.849 | S | S | * | * | trans | -128.5 | 123.7 | 145.8 | -87.4 | -170.7 | 172.2 | -150.8 | -0.6 | 109.7 | ||||
| 42 | R | 36.6 | Very low | 35.8 | Very low | 253 Ų | 253 | 162.8 Ų | 162.8 | 96% | 0.955 | 86% | 0.859 | S | S | * | * | trans | -73.1 | 140.7 | 168.3 | -90.6 | 175.1 | 164.4 | -179 | -4.3 | 109.1 | ||||
| 43 | A | 31 | Very low | 36.9 | Very low | 104 Ų | 104 | 156 Ų | 156 | 86% | 0.86 | 85% | 0.845 | S | S | * | * | trans | -146.7 | 151.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | R | 32.8 | Very low | 37.9 | Very low | 247 Ų | 247 | 153.8 Ų | 153.8 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | trans | -79.4 | 160.9 | -157.8 | -79.6 | 164 | 154.8 | 177.5 | -7 | 114 | ||||
| 45 | R | 38.7 | Very low | 39 | Very low | 256 Ų | 256 | 148.2 Ų | 148.2 | 97% | 0.966 | 81% | 0.812 | S | S | * | * | trans | -44.8 | 132 | 161.4 | -72.7 | 176.8 | 169.6 | -169.3 | -4.1 | 112 | ||||
| 46 | G | 31.5 | Very low | 40.2 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -148.2 | 111.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 47 | G | 42.5 | Very low | 41.3 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -77.7 | 138.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 48 | W | 36.3 | Very low | 42 | Very low | 245 Ų | 245 | 143.6 Ų | 143.6 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | trans | -141.4 | 124.4 | 160.6 | -74.2 | 84 | 0 | 0 | 0 | 107.5 | ||||
| 49 | G | 41.4 | Very low | 43.4 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 141.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 50 | L | 45.3 | Very low | 45 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 130.5 | 167.9 | -80.1 | 158.6 | 0 | 0 | 0 | 109.2 | ||
| 51 | P | 44.3 | Very low | 46.7 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 56% | 0.558 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 147.2 | -179.9 | 28.9 | -32.3 | 0 | 0 | 0 | 111.2 | T53 | P51-T53 PolarHBondContact O-N 2.84Š|
| 52 | R | 51.2 | Low | 48.6 | Very low | 247 Ų | 247 | 123.5 Ų | 123.5 | 93% | 0.932 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 20.4 | -179.9 | -90.3 | 175.6 | 149.8 | 157.6 | -6.8 | 115.7 | ||
| 53 | T | 53.5 | Low | 50.3 | Low | 103 Ų | 103 | 116.9 Ų | 116.9 | 63% | 0.632 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -4.8 | -176.8 | 52 | 0 | 0 | 0 | 0 | 114.1 | P51 | P51-T53 PolarHBondContact O-N 2.84Š|
| 54 | S | 50 | Low | 52.2 | Low | 74 Ų | 74 | 115.8 Ų | 115.8 | 52% | 0.517 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -80.9 | -14 | 180 | 45.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 55 | S | 54.5 | Low | 54.1 | Low | 86 Ų | 86 | 107.8 Ų | 107.8 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78 | -37.3 | -179.3 | -33.3 | 0 | 0 | 0 | 0 | 112.8 | A59 | S55-A59 WeakPolarHBondContact O-CB 3.38Å; S55-A59 PolarHBondContact O-N 3.35Å; S55-A59 VanDerWaalsContact O-N 3.15Å |
| 56 | G | 53.9 | Low | 55.8 | Low | 50 Ų | 50 | 98.1 Ų | 98.1 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.3 | -39.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A59 A60 | G56-A59 PolarHBondContact O-N 3.46Å; G56-A60 VanDerWaalsContact O-CB 3.25Å; G56-A60 WeakPolarHBondContact O-CB 3.31Å; G56-A60 PolarHBondContact O-N 2.89Å |
| 57 | L | 56.7 | Low | 57.8 | Low | 140 Ų | 140 | 100 Ų | 100 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.7 | -36.1 | 178.7 | -72 | 167.5 | 0 | 0 | 0 | 112.3 | G61 | L57-G61 PolarHBondContact O-N 3.43Å |
| 58 | A | 58 | Low | 59.1 | Low | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.9 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G61 L62 | A58-G61 PolarHBondContact O-N 2.93Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 2.92Å |
| 59 | A | 60 | Low | 60.8 | Low | 49 Ų | 49 | 90.9 Ų | 90.9 | 41% | 0.405 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.3 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S55 G56 L62 L63 | S55-A59 WeakPolarHBondContact O-CB 3.38Å; S55-A59 PolarHBondContact O-N 3.35Å; S55-A59 VanDerWaalsContact O-N 3.15Å; G56-A59 PolarHBondContact O-N 3.46Å; A59-L62 PolarHBondContact O-N 3.15Å; A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.99Å |
| 60 | A | 63.3 | Low | 62.3 | Low | 57 Ų | 57 | 91.7 Ų | 91.7 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | G56 L63 C64 | G56-A60 VanDerWaalsContact O-CB 3.25Å; G56-A60 WeakPolarHBondContact O-CB 3.31Å; G56-A60 PolarHBondContact O-N 2.89Å; A60-L63 PolarHBondContact O-N 3.47Å; A60-C64 VanDerWaalsContact O-CB 3.31Å; A60-C64 WeakPolarHBondContact O-CB 3.25Å; A60-C64 PolarHBondContact O-N 2.97Å |
| 61 | G | 69.4 | Low | 63.6 | Low | 37 Ų | 37 | 90 Ų | 90 | 38% | 0.381 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -45.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L57 A58 C64 T65 | L57-G61 PolarHBondContact O-N 3.43Å; A58-G61 PolarHBondContact O-N 2.93Å; G61-C64 PolarHBondContact O-N 3.37Å; G61-T65 WeakPolarHBondContact O-CG2 3.39Å; G61-T65 PolarHBondContact O-N 3.5Å; G61-T65 PolarHBondContact O-OG1 3.37Å |
| 62 | L | 70.6 | Confident | 64.5 | Low | 120 Ų | 120 | 89.2 Ų | 89.2 | 63% | 0.628 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.2 | -43.3 | 177.7 | -74.7 | 164 | 0 | 0 | 0 | 112.3 | A58 A59 T65 A66 | A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 2.92Å; A59-L62 PolarHBondContact O-N 3.15Å; L62-T65 WeakPolarHBondContact CA-OG1 3.49Å; L62-T65 PolarHBondContact O-N 2.92Å; L62-T65 PolarHBondContact O-OG1 2.93Å; L62-A66 WeakPolarHBondContact O-CB 3.33Å; L62-A66 PolarHBondContact O-N 2.96Å |
| 63 | L | 71.5 | Confident | 64.9 | Low | 115 Ų | 115 | 87 Ų | 87 | 60% | 0.602 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 175.2 | -83.3 | 159.3 | 0 | 0 | 0 | 112.3 | A59 A60 A66 L67 | A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.99Å; A60-L63 PolarHBondContact O-N 3.47Å; L63-A66 PolarHBondContact O-N 2.91Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 PolarHBondContact O-N 3.3Å |
| 64 | C | 71.5 | Confident | 65.1 | Low | 80 Ų | 80 | 85.7 Ų | 85.7 | 54% | 0.541 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.7 | -42.2 | 177.6 | -142.5 | 0 | 0 | 0 | 0 | 110.9 | A60 G61 A66 L67 T68 | A60-C64 VanDerWaalsContact O-CB 3.31Å; A60-C64 WeakPolarHBondContact O-CB 3.25Å; A60-C64 PolarHBondContact O-N 2.97Å; G61-C64 PolarHBondContact O-N 3.37Å; C64-A66 PolarHBondContact O-N 3.4Å; C64-L67 PolarHBondContact O-N 2.86Å; C64-T68 PolarHBondContact O-N 3.37Å; C64-T68 PolarHBondContact O-OG1 3.5Å |
| 65 | T | 72.1 | Confident | 65.7 | Low | 80 Ų | 80 | 90.1 Ų | 90.1 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 174.8 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | G61 L62 T68 A69 | G61-T65 WeakPolarHBondContact O-CG2 3.39Å; G61-T65 PolarHBondContact O-N 3.5Å; G61-T65 PolarHBondContact O-OG1 3.37Å; L62-T65 WeakPolarHBondContact CA-OG1 3.49Å; L62-T65 PolarHBondContact O-N 2.92Å; L62-T65 PolarHBondContact O-OG1 2.93Å; T65-T68 VanDerWaalsContact CA-OG1 3.29Å; T65-T68 WeakPolarHBondContact CA-OG1 3.35Å; T65-T68 PolarHBondContact O-N 2.89Å; T65-T68 PolarHBondContact O-OG1 3.16Å; T65-A69 VanDerWaalsContact O-CB 3.31Å; T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.36Å |
| 66 | A | 73.5 | Confident | 65.8 | Low | 53 Ų | 53 | 91.6 Ų | 91.6 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L62 L63 C64 A69 C70 | L62-A66 WeakPolarHBondContact O-CB 3.33Å; L62-A66 PolarHBondContact O-N 2.96Å; L63-A66 PolarHBondContact O-N 2.91Å; C64-A66 PolarHBondContact O-N 3.4Å; A66-A69 PolarHBondContact O-N 3.46Å; A66-C70 WeakPolarHBondContact O-CB 3.43Å; A66-C70 PolarHBondContact O-N 2.9Å; A66-C70 PolarHBondContact O-SG 2.87Å |
| 67 | L | 73.3 | Confident | 66.1 | Low | 106 Ų | 106 | 94.1 Ų | 94.1 | 56% | 0.555 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.1 | -43.7 | 174.4 | -84.5 | 159.6 | 0 | 0 | 0 | 111.8 | L63 C64 A69 C70 L71 | L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 PolarHBondContact O-N 3.3Å; C64-L67 PolarHBondContact O-N 2.86Å; L67-A69 VanDerWaalsContact C-N 3.35Å; L67-A69 PolarHBondContact O-N 3.49Å; L67-C70 PolarHBondContact O-N 2.77Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.2Å; L67-L71 PolarHBondContact O-N 3.19Å |
| 68 | T | 70.9 | Confident | 66.1 | Low | 76 Ų | 76 | 93 Ų | 93 | 47% | 0.466 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.9 | -37.5 | 173.8 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | C64 T65 L71 C72 | C64-T68 PolarHBondContact O-N 3.37Å; C64-T68 PolarHBondContact O-OG1 3.5Å; T65-T68 VanDerWaalsContact CA-OG1 3.29Å; T65-T68 WeakPolarHBondContact CA-OG1 3.35Å; T65-T68 PolarHBondContact O-N 2.89Å; T65-T68 PolarHBondContact O-OG1 3.16Å; T68-L71 PolarHBondContact O-N 2.86Å; T68-C72 WeakPolarHBondContact O-CB 3.4Å; T68-C72 PolarHBondContact O-N 2.86Å; T68-C72 PolarHBondContact O-SG 3.47Å |
| 69 | A | 71.9 | Confident | 66 | Low | 52 Ų | 52 | 95.5 Ų | 95.5 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.8 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | T65 A66 L67 W73 | T65-A69 VanDerWaalsContact O-CB 3.31Å; T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.36Å; A66-A69 PolarHBondContact O-N 3.46Å; L67-A69 VanDerWaalsContact C-N 3.35Å; L67-A69 PolarHBondContact O-N 3.49Å; A69-W73 PolarHBondContact O-N 3.3Å |
| 70 | C | 72.4 | Confident | 65.7 | Low | 94 Ų | 94 | 99.6 Ų | 99.6 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.1 | -42 | 174.6 | -78.5 | 0 | 0 | 0 | 0 | 112.6 | A66 L67 C72 W73 | A66-C70 WeakPolarHBondContact O-CB 3.43Å; A66-C70 PolarHBondContact O-N 2.9Å; A66-C70 PolarHBondContact O-SG 2.87Å; L67-C70 PolarHBondContact O-N 2.77Å; C70-C72 VanDerWaalsContact C-N 3.35Å; C70-W73 WeakPolarHBondContact O-CB 3.31Å; C70-W73 PolarHBondContact O-N 3.33Å |
| 71 | L | 73.1 | Confident | 64.9 | Low | 128 Ų | 128 | 106.1 Ų | 106.1 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.9 | -34.8 | 176.8 | -72.2 | 167 | 0 | 0 | 0 | 111.9 | L67 T68 | L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.2Å; L67-L71 PolarHBondContact O-N 3.19Å; T68-L71 PolarHBondContact O-N 2.86Å |
| 72 | C | 63 | Low | 63.5 | Low | 69 Ų | 69 | 107.8 Ų | 107.8 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.9 | -16.6 | 175.7 | -68.8 | 0 | 0 | 0 | 0 | 113.6 | T68 C70 G74 Q75 L76 | T68-C72 WeakPolarHBondContact O-CB 3.4Å; T68-C72 PolarHBondContact O-N 2.86Å; T68-C72 PolarHBondContact O-SG 3.47Å; C70-C72 VanDerWaalsContact C-N 3.35Å; C72-G74 PolarHBondContact O-N 3Å; C72-Q75 PolarHBondContact O-N 3.24Å; C72-L76 PolarHBondContact O-N 3Å |
| 73 | W | 59.3 | Low | 62.3 | Low | 200 Ų | 200 | 107.2 Ų | 107.2 | 76% | 0.758 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.6 | -29.1 | 178.6 | -154 | -72.8 | 0 | 0 | 0 | 112.4 | A69 C70 | A69-W73 PolarHBondContact O-N 3.3Å; C70-W73 WeakPolarHBondContact O-CB 3.31Å; C70-W73 PolarHBondContact O-N 3.33Å |
| 74 | G | 58.2 | Low | 61.4 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 78% | 0.784 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -5.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C72 | C72-G74 PolarHBondContact O-N 3Š|
| 75 | Q | 62.1 | Low | 60.5 | Low | 167 Ų | 167 | 106.8 Ų | 106.8 | 78% | 0.78 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 2.4 | -178.6 | -63.5 | -165.6 | 2.4 | 0 | 0 | 113.6 | C72 | C72-Q75 PolarHBondContact O-N 3.24Š|
| 76 | L | 57 | Low | 59.7 | Low | 118 Ų | 118 | 109 Ų | 109 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -65.6 | 128 | 173 | -72.2 | 166.9 | 0 | 0 | 0 | 109 | C72 | C72-L76 PolarHBondContact O-N 3Š|
| 77 | P | 59.8 | Low | 59.2 | Low | 102 Ų | 102 | 110 Ų | 110 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.8 | 168.2 | 24.1 | -31.1 | 0 | 0 | 0 | 108.3 | L79 | P77-L79 PolarHBondContact O-N 2.8Š|
| 78 | P | 56.7 | Low | 59.5 | Low | 116 Ų | 116 | 114.5 Ų | 114.5 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -53 | 130.7 | 177.9 | 21.6 | -31.2 | 0 | 0 | 0 | 108.7 | ||
| 79 | L | 56.5 | Low | 60.4 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 58% | 0.576 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 132.9 | 176.5 | -77.5 | 172 | 0 | 0 | 0 | 109.4 | P77 W81 A82 | P77-L79 PolarHBondContact O-N 2.8Å; L79-W81 HydrophobicContact CD1-CZ2 4.18Å; L79-W81 PolarHBondContact O-N 3.08Å; L79-A82 PolarHBondContact O-N 3.18Å; L79-A82 VanDerWaalsContact O-N 3.08Å |
| 80 | P | 52.9 | Low | 61.4 | Low | 136 Ų | 136 | 114.1 Ų | 114.1 | 88% | 0.883 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 4.8 | -175.2 | 24.3 | -33.1 | 0 | 0 | 0 | 114.6 | ||
| 81 | W | 48.1 | Very low | 62.5 | Low | 193 Ų | 193 | 110.3 Ų | 110.3 | 73% | 0.731 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | 11.2 | -176.1 | 61.9 | -64.2 | 0 | 0 | 0 | 112.7 | L79 S83 | L79-W81 HydrophobicContact CD1-CZ2 4.18Å; L79-W81 PolarHBondContact O-N 3.08Å; W81-S83 VanDerWaalsContact C-N 3.32Å; W81-S83 PolarHBondContact O-N 2.91Å |
| 82 | A | 39.5 | Very low | 63.6 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | trans | -58.3 | 104.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | L79 P84 | L79-A82 PolarHBondContact O-N 3.18Å; L79-A82 VanDerWaalsContact O-N 3.08Å; A82-P84 VanDerWaalsContact O-N 3.14Å | ||
| 83 | S | 45.1 | Very low | 65.1 | Low | 108 Ų | 108 | 101 Ų | 101 | 76% | 0.755 | 57% | 0.574 | S | S | * | * | trans | -51.9 | 125.1 | 172.9 | -58.3 | 0 | 0 | 0 | 0 | 106.5 | W81 A85 | W81-S83 VanDerWaalsContact C-N 3.32Å; W81-S83 PolarHBondContact O-N 2.91Å; S83-A85 PolarHBondContact O-N 3.17Å; S83-A85 VanDerWaalsContact O-N 3.17Å | ||
| 84 | P | 53.3 | Low | 66.8 | Low | 106 Ų | 106 | 91.5 Ų | 91.5 | 69% | 0.688 | 54% | 0.538 | S | S | * | . | trans | -52.8 | 132.2 | 174.8 | 20.2 | -29.1 | 0 | 0 | 0 | 107 | A82 | A82-P84 VanDerWaalsContact O-N 3.14Š| ||
| 85 | A | 51.6 | Low | 68.3 | Low | 80 Ų | 80 | 88.7 Ų | 88.7 | 66% | 0.661 | 50% | 0.504 | S | S | * | . | trans | -46 | 140.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S83 Q87 | S83-A85 PolarHBondContact O-N 3.17Å; S83-A85 VanDerWaalsContact O-N 3.17Å; A85-Q87 PolarHBondContact O-N 2.84Å | ||
| 86 | P | 54.6 | Low | 69 | Low | 127 Ų | 127 | 81.5 Ų | 81.5 | 83% | 0.825 | 47% | 0.469 | S | S | * | . | trans | -49.3 | 115.3 | -177.4 | -23.8 | 30.7 | 0 | 0 | 0 | 109.2 | R88 | P86-R88 PolarHBondContact O-N 3.02Š| ||
| 87 | Q | 64.8 | Low | 69.3 | Low | 73 Ų | 73 | 81.5 Ų | 81.5 | 34% | 0.341 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 131.2 | 178.3 | -66.3 | -94.3 | -35 | 0 | 0 | 106.9 | A85 Q415 | A85-Q87 PolarHBondContact O-N 2.84Å; Q87-Q415 VanDerWaalsContact OE1-CB 3.31Å |
| 88 | R | 78.1 | Confident | 69.1 | Low | 202 Ų | 202 | 77.8 Ų | 77.8 | 76% | 0.762 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -51 | 128.4 | 178.2 | -85 | -179.5 | 169.7 | 176.7 | -3.7 | 108.5 | P86 V90 Q415 | P86-R88 PolarHBondContact O-N 3.02Å; R88-V90 PolarHBondContact O-N 2.97Å; R88-Q415 PolarHBondContact O-NE2 3.49Å |
| 89 | P | 89.9 | Confident | 69.1 | Low | 110 Ų | 110 | 75.3 Ų | 75.3 | 71% | 0.714 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -57 | 132.6 | 173.2 | -24.7 | 34.3 | 0 | 0 | 0 | 109.9 | G120 | P89-G120 CarbonylContact C-O 3.49Å; P89-G120 VanDerWaalsContact CA-O 3.27Å; P89-G120 WeakPolarHBondContact CA-O 3.41Å |
| 90 | V | 93.9 | Very high | 68.7 | Low | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.055 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.8 | 177.2 | -61 | 0 | 0 | 0 | 0 | 110.2 | R88 G120 R122 C411 V414 Q415 | R88-V90 PolarHBondContact O-N 2.97Å; V90-G120 PolarHBondContact N-O 2.8Å; V90-R122 PolarHBondContact O-N 3.47Å; V90-C411 HydrophobicContact CG2-CB 3.77Å; V90-V414 HydrophobicContact CB-CG1 4.13Å; V90-V414 HydrophobicContact CG1-CB 4.4Å; V90-V414 HydrophobicContact CG1-CG1 3.82Å; V90-Q415 HydrophobicContact CB-CG 4.22Å; V90-Q415 HydrophobicContact CG1-CB 4.48Å; V90-Q415 HydrophobicContact CG1-CG 3.57Å; V90-Q415 HydrophobicContact CG2-CG 3.57Å |
| 91 | S | 95.5 | Very high | 68.3 | Low | 15 Ų | 15 | 69.3 Ų | 69.3 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132 | 170.3 | 54 | 0 | 0 | 0 | 0 | 111 | R122 E132 A133 Q134 A135 | S91-R122 CarbonylContact C-O 3.57Å; S91-R122 VanDerWaalsContact CA-O 3.26Å; S91-R122 WeakPolarHBondContact CA-O 3.26Å; S91-E132 PolarHBondContact OG-O 3.28Å; S91-A133 WeakPolarHBondContact OG-CA 3.27Å; S91-Q134 PolarHBondContact O-N 2.82Å; S91-Q134 PolarHBondContact OG-N 2.93Å; S91-Q134 PolarHBondContact OG-OE1 2.83Å; S91-A135 PolarHBondContact O-N 3.37Å |
| 92 | V | 95.8 | Very high | 67.8 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.6 | 172.7 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | R122 L123 L124 A135 L137 T410 C411 | V92-R122 PolarHBondContact N-O 3.17Å; V92-L123 HydrophobicContact CB-CD2 4.04Å; V92-L123 HydrophobicContact CG1-CD2 4.5Å; V92-L124 PolarHBondContact O-N 2.95Å; V92-A135 CarbonylContact C-O 3.48Å; V92-A135 WeakPolarHBondContact CA-O 3.32Å; V92-A135 HydrophobicContact CG1-CB 4.5Å; V92-A135 HydrophobicContact CG2-CB 4.31Å; V92-L137 HydrophobicContact CG1-CB 4.4Å; V92-T410 HydrophobicContact CG1-CG2 3.82Å; V92-T410 HydrophobicContact CG2-CG2 4.05Å; V92-C411 HydrophobicContact CG2-CB 4.39Å; V92-C411 VanDerWaalsContact CG2-SG 3.59Å |
| 93 | L | 95.2 | Very high | 68.3 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 119.8 | 175.2 | 177.8 | 60.5 | 0 | 0 | 0 | 109.9 | W95 L124 D126 Y130 A133 A135 V136 L137 | L93-W95 HydrophobicContact CD2-CE3 3.79Å; L93-W95 HydrophobicContact CD2-CZ3 3.92Å; L93-W95 HydrophobicContact CG-CE3 4.4Å; L93-W95 PolarHBondContact O-N 2.87Å; L93-L124 HydrophobicContact CD1-CB 4.01Å; L93-D126 VanDerWaalsContact CD1-O 3.24Å; L93-D126 WeakPolarHBondContact CD1-O 3.25Å; L93-Y130 HydrophobicContact CD2-CD2 4.45Å; L93-A133 HydrophobicContact CB-CB 3.74Å; L93-A135 PolarHBondContact N-O 3.26Å; L93-V136 HydrophobicContact CB-CG1 4.45Å; L93-V136 HydrophobicContact CB-CG2 4.36Å; L93-V136 HydrophobicContact CD2-CG1 4.39Å; L93-V136 HydrophobicContact CG-CG1 4.44Å; L93-V136 CarbonylContact O-C 3.56Å; L93-V136 WeakPolarHBondContact O-CA 3.33Å; L93-L137 PolarHBondContact O-N 3.24Å |
| 94 | L | 93.7 | Very high | 68.6 | Low | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 104.1 | 168.8 | -52.2 | -178.1 | 0 | 0 | 0 | 107.2 | W96 P109 L124 T125 L137 W407 | L94-W96 PolarHBondContact O-N 2.87Å; L94-P109 HydrophobicContact CD1-CG 4.32Å; L94-L124 PolarHBondContact N-O 3.26Å; L94-T125 HydrophobicContact CD1-CG2 4.35Å; L94-L137 HydrophobicContact CD2-CB 4.17Å; L94-L137 HydrophobicContact CD2-CD2 3.82Å; L94-W407 HydrophobicContact CD1-CD2 3.84Å; L94-W407 HydrophobicContact CD1-CE3 4.01Å; L94-W407 HydrophobicContact CD1-CG 4.28Å; L94-W407 HydrophobicContact CD1-CH2 4.38Å; L94-W407 HydrophobicContact CD1-CZ2 4.21Å; L94-W407 HydrophobicContact CD1-CZ3 4.29Å; L94-W407 HydrophobicContact CD2-CB 4.34Å; L94-W407 HydrophobicContact CD2-CD2 4.3Å; L94-W407 HydrophobicContact CD2-CG 3.92Å |
| 95 | W | 89.8 | Confident | 68.5 | Low | 18 Ų | 18 | 74.1 Ų | 74.1 | 7% | 0.068 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -64.8 | -28.3 | -172 | -170.2 | -107.6 | 0 | 0 | 0 | 113.1 | L93 R127 Y130 V136 L137 F138 D149 P151 | L93-W95 HydrophobicContact CD2-CE3 3.79Å; L93-W95 HydrophobicContact CD2-CZ3 3.92Å; L93-W95 HydrophobicContact CG-CE3 4.4Å; L93-W95 PolarHBondContact O-N 2.87Å; W95-R127 HydrophobicContact CE3-CG 4.43Å; W95-R127 HydrophobicContact CH2-CB 4.38Å; W95-R127 HydrophobicContact CH2-CG 4.27Å; W95-R127 HydrophobicContact CZ3-CB 4.27Å; W95-R127 HydrophobicContact CZ3-CG 4.12Å; W95-R127 PolarHBondContact O-NE 3.33Å; W95-R127 PolarHBondContact O-NH2 3.32Å; W95-Y130 HydrophobicContact CZ3-CD2 4.11Å; W95-Y130 HydrophobicContact CZ3-CG 4.23Å; W95-V136 HydrophobicContact CB-CG1 3.92Å; W95-V136 HydrophobicContact CD2-CG1 4.34Å; W95-V136 HydrophobicContact CE3-CG1 3.89Å; W95-V136 HydrophobicContact CG-CG1 4.38Å; W95-L137 WeakPolarHBondContact CB-O 3.35Å; W95-L137 PolarHBondContact N-O 2.71Å; W95-L137 VanDerWaalsContact N-O 3.08Å; W95-F138 HydrophobicContact CB-CD1 3.82Å; W95-F138 HydrophobicContact CB-CE1 3.79Å; W95-F138 HydrophobicContact CB-CG 4.49Å; W95-F138 HydrophobicContact CB-CZ 4.46Å; W95-F138 AromaticContact CD1-CD1 3.68Å; W95-F138 AromaticContact CD1-CE1 3.5Å; W95-F138 VanDerWaalsContact CD1-CE1 3.5Å; W95-F138 AromaticContact CD2-CE1 3.94Å; W95-F138 HydrophobicContact CD2-CE1 3.94Å; W95-F138 AromaticContact CG-CD1 3.78Å; W95-F138 HydrophobicContact CG-CD1 3.78Å; W95-F138 AromaticContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CE1 3.42Å; W95-F138 VanDerWaalsContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CZ 4.27Å; W95-D149 PolarHBondContact NE1-O 2.79Å; W95-P151 HydrophobicContact CD2-CG 3.84Å; W95-P151 HydrophobicContact CE3-CB 4.42Å; W95-P151 HydrophobicContact CE3-CG 3.81Å; W95-P151 HydrophobicContact CH2-CB 3.47Å; W95-P151 VanDerWaalsContact CH2-CB 3.47Å; W95-P151 HydrophobicContact CH2-CG 3.63Å; W95-P151 HydrophobicContact CZ2-CB 3.81Å; W95-P151 HydrophobicContact CZ2-CG 3.64Å; W95-P151 HydrophobicContact CZ3-CB 3.79Å; W95-P151 HydrophobicContact CZ3-CG 3.7Å |
| 96 | W | 77.7 | Confident | 69 | Low | 16 Ų | 16 | 73.5 Ų | 73.5 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -106.5 | 133.5 | 173.5 | 87.4 | 99.8 | 0 | 0 | 0 | 110.1 | L94 F99 L137 H139 D142 M198 W407 | L94-W96 PolarHBondContact O-N 2.87Å; W96-F99 AromaticContact CE2-CE2 3.92Å; W96-F99 AromaticContact CE2-CZ 3.95Å; W96-F99 HydrophobicContact CZ2-CE2 4.05Å; W96-F99 HydrophobicContact CZ2-CZ 4.25Å; W96-F99 AromaticContact NE1-CD2 3.89Å; W96-F99 AromaticContact NE1-CE1 3.92Å; W96-F99 AromaticContact NE1-CE2 3.19Å; W96-F99 AromaticContact NE1-CZ 3.22Å; W96-L137 HydrophobicContact CH2-CD2 4.02Å; W96-L137 HydrophobicContact CH2-CG 4.34Å; W96-L137 HydrophobicContact CZ3-CB 4.28Å; W96-L137 HydrophobicContact CZ3-CD2 4.08Å; W96-L137 HydrophobicContact CZ3-CG 3.95Å; W96-L137 WeakPolarHBondContact CZ3-O 3.44Å; W96-H139 HydrophobicContact CD2-CB 3.63Å; W96-H139 HydrophobicContact CE3-CB 3.63Å; W96-H139 HydrophobicContact CG-CB 4.43Å; W96-H139 HydrophobicContact CH2-CB 3.74Å; W96-H139 HydrophobicContact CZ2-CB 3.68Å; W96-H139 HydrophobicContact CZ3-CB 3.69Å; W96-D142 HydrophobicContact CB-CB 4.39Å; W96-D142 VanDerWaalsContact CD1-OD2 3.25Å; W96-D142 VanDerWaalsContact CG-OD2 3.29Å; W96-M198 HydrophobicContact CH2-CE 3.11Å; W96-M198 HydrophobicContact CH2-SD 4Å; W96-M198 HydrophobicContact CZ2-CE 3.51Å; W96-M198 HydrophobicContact CZ3-CE 4.05Å; W96-W407 AromaticContact CH2-NE1 3.5Å; W96-W407 HydrophobicContact CZ2-CZ2 4.18Å; W96-W407 AromaticContact CZ2-NE1 3.78Å |
| 97 | E | 61.8 | Low | 69.9 | Low | 118 Ų | 118 | 73.8 Ų | 73.8 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | trans | -73.9 | 134.9 | 170.4 | -166.7 | 176 | -147.9 | 0 | 0 | 108.9 | F99 S106 | E97-F99 PolarHBondContact O-N 3.11Å; E97-F99 VanDerWaalsContact O-N 3.16Å; E97-S106 VanDerWaalsContact CD-CB 3.43Å; E97-S106 WeakPolarHBondContact OE1-CB 3.41Å; E97-S106 PolarHBondContact OE1-OG 3.34Å | ||
| 98 | P | 57.1 | Low | 70.8 | Confident | 23 Ų | 23 | 75 Ų | 75 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | trans | -69.9 | 122 | -162 | 26.7 | -34.4 | 0 | 0 | 0 | 111.1 | G100 W407 | P98-G100 VanDerWaalsContact C-N 3.34Å; P98-G100 PolarHBondContact O-N 3.41Å; P98-W407 HydrophobicContact CB-CH2 3.88Å; P98-W407 HydrophobicContact CB-CZ2 4.22Å; P98-W407 HydrophobicContact CG-CH2 4.19Å | ||
| 99 | F | 57 | Low | 71.3 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 29% | 0.285 | 40% | 0.399 | S | S | . | . | trans | 22.4 | 66.5 | 149.8 | -44 | -76.1 | 0 | 0 | 0 | 114.9 | W96 E97 G101 H139 R141 W403 | W96-F99 AromaticContact CE2-CE2 3.92Å; W96-F99 AromaticContact CE2-CZ 3.95Å; W96-F99 HydrophobicContact CZ2-CE2 4.05Å; W96-F99 HydrophobicContact CZ2-CZ 4.25Å; W96-F99 AromaticContact NE1-CD2 3.89Å; W96-F99 AromaticContact NE1-CE1 3.92Å; W96-F99 AromaticContact NE1-CE2 3.19Å; W96-F99 AromaticContact NE1-CZ 3.22Å; E97-F99 PolarHBondContact O-N 3.11Å; E97-F99 VanDerWaalsContact O-N 3.16Å; F99-G101 PolarHBondContact O-N 3.28Å; F99-H139 AromaticContact CZ-CD2 3.61Å; F99-H139 AromaticContact CZ-NE2 3.88Å; F99-R141 VanDerWaalsContact CE1-NH1 3.28Å; F99-W403 AromaticContact CD2-CD1 3.82Å; F99-W403 AromaticContact CD2-NE1 3.5Å; F99-W403 AromaticContact CE2-CD1 3.65Å; F99-W403 HydrophobicContact CE2-CD2 4.25Å; F99-W403 AromaticContact CE2-CE2 3.59Å; F99-W403 HydrophobicContact CE2-CG 4.29Å; F99-W403 HydrophobicContact CE2-CZ2 4.09Å; F99-W403 AromaticContact CE2-NE1 3.16Å; F99-W403 HydrophobicContact CZ-CZ2 4.12Å; F99-W403 AromaticContact CZ-NE1 4Å | ||
| 100 | G | 47.5 | Very low | 71.4 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | trans | -54.8 | 105.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | P98 | P98-G100 VanDerWaalsContact C-N 3.34Å; P98-G100 PolarHBondContact O-N 3.41Å | ||
| 101 | G | 44.6 | Very low | 71.4 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | trans | -57.3 | 162 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | F99 G103 G104 | F99-G101 PolarHBondContact O-N 3.28Å; G101-G103 VanDerWaalsContact C-N 3.34Å; G101-G103 PolarHBondContact O-N 3.33Å; G101-G104 PolarHBondContact O-N 3.49Å | ||
| 102 | R | 37.8 | Very low | 71.4 | Confident | 271 Ų | 271 | 65.5 Ų | 65.5 | 100% | 1.023 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 99.1 | 168.9 | -65.8 | -176 | -172.1 | -161.2 | 0.9 | 108 | ||
| 103 | G | 48.6 | Very low | 71.4 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 75% | 0.753 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.9 | -6.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 119 | G101 | G101-G103 VanDerWaalsContact C-N 3.34Å; G101-G103 PolarHBondContact O-N 3.33Å |
| 104 | G | 51.4 | Low | 71.3 | Confident | 63 Ų | 63 | 75 Ų | 75 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | trans | 77.8 | 28.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | G101 | G101-G104 PolarHBondContact O-N 3.49Š| ||
| 105 | H | 52.3 | Low | 71.3 | Confident | 173 Ų | 173 | 80.2 Ų | 80.2 | 80% | 0.801 | 46% | 0.458 | S | S | * | . | trans | -128.2 | 124.5 | 164.8 | -64.1 | -41.4 | 0 | 0 | 0 | 111.2 | K107 | H105-K107 PolarHBondContact O-N 2.62Š| ||
| 106 | S | 62.8 | Low | 71.5 | Confident | 68 Ų | 68 | 81 Ų | 81 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 125.8 | 169.7 | 54 | 0 | 0 | 0 | 0 | 109.1 | E97 | E97-S106 VanDerWaalsContact CD-CB 3.43Å; E97-S106 WeakPolarHBondContact OE1-CB 3.41Å; E97-S106 PolarHBondContact OE1-OG 3.34Å |
| 107 | K | 72.6 | Confident | 72.3 | Confident | 133 Ų | 133 | 87 Ų | 87 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 130.7 | 176.3 | -173.7 | -173 | 173.8 | -165.2 | 0 | 107.7 | H105 | H105-K107 PolarHBondContact O-N 2.62Š|
| 108 | P | 83.4 | Confident | 73.9 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 63% | 0.63 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 148.8 | 175.7 | 25.2 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 109 | P | 88.1 | Confident | 75.6 | Confident | 39 Ų | 39 | 83.4 Ų | 83.4 | 25% | 0.253 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 152.8 | 172.3 | -24.5 | 33.8 | 0 | 0 | 0 | 112.3 | L94 L123 T125 | L94-P109 HydrophobicContact CD1-CG 4.32Å; P109-L123 HydrophobicContact CB-CB 3.58Å; P109-L123 HydrophobicContact CB-CD1 3.85Å; P109-L123 HydrophobicContact CB-CG 4.38Å; P109-L123 HydrophobicContact CG-CB 4.16Å; P109-T125 HydrophobicContact CG-CG2 3.67Å |
| 110 | P | 92.7 | Very high | 77.4 | Confident | 15 Ų | 15 | 82 Ų | 82 | 10% | 0.097 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 150 | 177.7 | 32.1 | -39.9 | 0 | 0 | 0 | 112.1 | C112 L123 D404 W407 | P110-C112 PolarHBondContact O-N 3.47Å; P110-L123 HydrophobicContact CG-CD1 3.81Å; P110-D404 HydrophobicContact CB-CB 3.96Å; P110-D404 HydrophobicContact CG-CB 3.74Å; P110-W407 HydrophobicContact CG-CE3 4.24Å |
| 111 | D | 94.2 | Very high | 79.6 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | trans | -74.6 | 106.3 | 161.2 | -173.9 | -36.7 | 0 | 0 | 0 | 109.3 | S113 L114 R115 | D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 3.34Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.29Å; D111-S113 WeakPolarHBondContact OD1-CB 3.27Å; D111-S113 PolarHBondContact OD1-N 3.28Å; D111-L114 HydrophobicContact CB-CB 4.07Å; D111-L114 HydrophobicContact CB-CD1 3.96Å; D111-L114 HydrophobicContact CB-CG 4.18Å; D111-L114 PolarHBondContact OD1-N 3.1Å; D111-L114 VanDerWaalsContact OD2-CD1 3.28Å; D111-L114 WeakPolarHBondContact OD2-CD1 3.27Å; D111-L114 WeakPolarHBondContact OD2-CG 3.48Å; D111-R115 WeakPolarHBondContact O-CB 3.33Å; D111-R115 WeakPolarHBondContact O-CG 3.23Å; D111-R115 PolarHBondContact O-N 2.77Å | ||
| 112 | C | 95.8 | Very high | 82.1 | Confident | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.014 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -69.8 | -26.4 | -177.3 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | P110 F116 N117 I118 C121 C408 | P110-C112 PolarHBondContact O-N 3.47Å; C112-F116 CarbonylContact O-C 3.55Å; C112-F116 WeakPolarHBondContact O-CA 3.47Å; C112-F116 PolarHBondContact O-N 2.97Å; C112-N117 PolarHBondContact O-N 3.49Å; C112-I118 CarbonylContact C-O 3.6Å; C112-I118 HydrophobicContact CB-CB 4.07Å; C112-I118 PolarHBondContact O-N 2.99Å; C112-C121 HydrophobicContact CB-CB 3.9Å; C112-C121 PolarHBondContact SG-SG 3.48Å; C112-C408 WeakPolarHBondContact CA-SG 3.49Å; C112-C408 HydrophobicContact CB-CB 3.64Å; C112-C408 WeakPolarHBondContact CB-SG 3.39Å; C112-C408 WeakPolarHBondContact SG-CA 3.39Å; C112-C408 WeakPolarHBondContact SG-CB 3.3Å; C112-C408 CovalentContact SG-SG 2.03Å; C112-C408 PolarHBondContact SG-SG 2.89Å |
| 113 | S | 95 | Very high | 84.8 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.4 | -51.6 | 175.8 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | D111 R115 N117 I118 | D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 3.34Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.29Å; D111-S113 WeakPolarHBondContact OD1-CB 3.27Å; D111-S113 PolarHBondContact OD1-N 3.28Å; S113-R115 PolarHBondContact O-N 3.16Å; S113-N117 VanDerWaalsContact O-CA 3.26Å; S113-N117 WeakPolarHBondContact O-CA 3.43Å; S113-N117 PolarHBondContact O-N 2.94Å; S113-I118 WeakPolarHBondContact CA-O 3.32Å; S113-I118 PolarHBondContact N-O 3.32Å |
| 114 | L | 94.6 | Very high | 86.9 | Confident | 144 Ų | 144 | 71.5 Ų | 71.5 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.8 | -37.6 | -178.8 | -68.3 | 177.3 | 0 | 0 | 0 | 113 | D111 | D111-L114 HydrophobicContact CB-CB 4.07Å; D111-L114 HydrophobicContact CB-CD1 3.96Å; D111-L114 HydrophobicContact CB-CG 4.18Å; D111-L114 PolarHBondContact OD1-N 3.1Å; D111-L114 VanDerWaalsContact OD2-CD1 3.28Å; D111-L114 WeakPolarHBondContact OD2-CD1 3.27Å; D111-L114 WeakPolarHBondContact OD2-CG 3.48Å |
| 115 | R | 93.6 | Very high | 88.8 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -94.6 | -31.4 | -171.6 | -67.2 | -173.3 | 64.6 | -172.9 | -6.7 | 114.9 | D111 S113 S401 D404 | D111-R115 WeakPolarHBondContact O-CB 3.33Å; D111-R115 WeakPolarHBondContact O-CG 3.23Å; D111-R115 PolarHBondContact O-N 2.77Å; S113-R115 PolarHBondContact O-N 3.16Å; R115-S401 PolarHBondContact NH2-OG 3.49Å; R115-S401 VanDerWaalsContact NH2-OG 3.1Å; R115-D404 IonicContact CZ-OD2 2.84Å; R115-D404 IonicContact NH1-OD1 3.16Å; R115-D404 IonicContact NH1-OD2 3.18Å; R115-D404 PolarHBondContact NH1-OD2 3.05Å; R115-D404 IonicContact NH2-OD2 2.65Å; R115-D404 PolarHBondContact NH2-OD2 3.28Å |
| 116 | F | 94.1 | Very high | 90.6 | Very high | 35 Ų | 35 | 68 Ų | 68 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -131.8 | 8 | -171.4 | -53.5 | -73.2 | 0 | 0 | 0 | 113.2 | C112 I118 D404 E405 C408 R412 | C112-F116 CarbonylContact O-C 3.55Å; C112-F116 WeakPolarHBondContact O-CA 3.47Å; C112-F116 PolarHBondContact O-N 2.97Å; F116-I118 VanDerWaalsContact C-N 3.27Å; F116-I118 HydrophobicContact CB-CD1 4.02Å; F116-I118 HydrophobicContact CB-CG1 4.12Å; F116-I118 PolarHBondContact O-N 3.28Å; F116-D404 HydrophobicContact CE2-CB 3.94Å; F116-D404 HydrophobicContact CZ-CB 3.88Å; F116-E405 HydrophobicContact CD1-CB 4.35Å; F116-E405 HydrophobicContact CD1-CG 4.17Å; F116-E405 HydrophobicContact CE1-CB 3.63Å; F116-E405 HydrophobicContact CE1-CG 3.88Å; F116-E405 HydrophobicContact CE2-CB 4.45Å; F116-E405 HydrophobicContact CZ-CB 3.69Å; F116-E405 HydrophobicContact CZ-CG 4.39Å; F116-C408 HydrophobicContact CD2-CB 3.69Å; F116-C408 WeakPolarHBondContact CD2-SG 3.45Å; F116-C408 HydrophobicContact CE2-CB 4.19Å; F116-C408 HydrophobicContact CG-CB 4.39Å; F116-R412 PolarHBondContact O-NH2 3.16Å |
| 117 | N | 94.4 | Very high | 91.8 | Very high | 141 Ų | 141 | 69.4 Ų | 69.4 | 75% | 0.754 | 36% | 0.363 | S | S | * | . | trans | 55.4 | 42.5 | -177.4 | -163.7 | 33.8 | 0 | 0 | 0 | 112.2 | C112 S113 | C112-N117 PolarHBondContact O-N 3.49Å; S113-N117 VanDerWaalsContact O-CA 3.26Å; S113-N117 WeakPolarHBondContact O-CA 3.43Å; S113-N117 PolarHBondContact O-N 2.94Å | ||
| 118 | I | 94.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | trans | -112.6 | 90.1 | 176.3 | -56.4 | 176.1 | 0 | 0 | 0 | 108.4 | C112 S113 F116 C121 C408 C411 R412 | C112-I118 CarbonylContact C-O 3.6Å; C112-I118 HydrophobicContact CB-CB 4.07Å; C112-I118 PolarHBondContact O-N 2.99Å; S113-I118 WeakPolarHBondContact CA-O 3.32Å; S113-I118 PolarHBondContact N-O 3.32Å; F116-I118 VanDerWaalsContact C-N 3.27Å; F116-I118 HydrophobicContact CB-CD1 4.02Å; F116-I118 HydrophobicContact CB-CG1 4.12Å; F116-I118 PolarHBondContact O-N 3.28Å; I118-C121 HydrophobicContact CG2-CB 3.92Å; I118-C408 HydrophobicContact CD1-CB 3.91Å; I118-C408 VanDerWaalsContact CD1-O 3.27Å; I118-C408 WeakPolarHBondContact CD1-O 3.3Å; I118-C411 HydrophobicContact CG2-CB 4.35Å; I118-R412 HydrophobicContact CD1-CB 4.13Å; I118-R412 HydrophobicContact CG2-CB 4.33Å | ||
| 119 | S | 93.9 | Very high | 93 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 43% | 0.427 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 151.3 | 175.9 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | C121 Q415 | S119-C121 VanDerWaalsContact C-N 3.28Å; S119-C121 PolarHBondContact O-N 2.74Å; S119-Q415 PolarHBondContact O-NE2 3.22Å |
| 120 | G | 93.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 16.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P89 V90 Q415 | P89-G120 CarbonylContact C-O 3.49Å; P89-G120 VanDerWaalsContact CA-O 3.27Å; P89-G120 WeakPolarHBondContact CA-O 3.41Å; V90-G120 PolarHBondContact N-O 2.8Å; G120-Q415 PolarHBondContact O-NE2 2.95Å |
| 121 | C | 95.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 62.5 Ų | 62.5 | 17% | 0.169 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.2 | 173.3 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | C112 I118 S119 C411 | C112-C121 HydrophobicContact CB-CB 3.9Å; C112-C121 PolarHBondContact SG-SG 3.48Å; I118-C121 HydrophobicContact CG2-CB 3.92Å; S119-C121 VanDerWaalsContact C-N 3.28Å; S119-C121 PolarHBondContact O-N 2.74Å; C121-C411 VanDerWaalsContact CA-SG 3.57Å; C121-C411 HydrophobicContact CB-CB 3.35Å; C121-C411 WeakPolarHBondContact CB-SG 3.41Å; C121-C411 WeakPolarHBondContact SG-CB 3.37Å; C121-C411 CovalentContact SG-SG 2.02Å; C121-C411 PolarHBondContact SG-SG 2.86Å |
| 122 | R | 95.6 | Very high | 93 | Very high | 171 Ų | 171 | 65.9 Ų | 65.9 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 103 | 173.7 | -169.4 | 177.5 | -179.1 | -170.4 | -5.8 | 109.6 | V90 S91 V92 L124 | V90-R122 PolarHBondContact O-N 3.47Å; S91-R122 CarbonylContact C-O 3.57Å; S91-R122 VanDerWaalsContact CA-O 3.26Å; S91-R122 WeakPolarHBondContact CA-O 3.26Å; V92-R122 PolarHBondContact N-O 3.17Å; R122-L124 HydrophobicContact CG-CD2 3.73Å; R122-L124 HydrophobicContact CG-CG 4.3Å |
| 123 | L | 94.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.12 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.1 | 171.5 | -62.2 | -179.4 | 0 | 0 | 0 | 109.4 | V92 P109 P110 W407 | V92-L123 HydrophobicContact CB-CD2 4.04Å; V92-L123 HydrophobicContact CG1-CD2 4.5Å; P109-L123 HydrophobicContact CB-CB 3.58Å; P109-L123 HydrophobicContact CB-CD1 3.85Å; P109-L123 HydrophobicContact CB-CG 4.38Å; P109-L123 HydrophobicContact CG-CB 4.16Å; P110-L123 HydrophobicContact CG-CD1 3.81Å; L123-W407 HydrophobicContact CD1-CB 3.83Å; L123-W407 HydrophobicContact CD1-CE3 4.48Å; L123-W407 HydrophobicContact CD2-CB 4.16Å |
| 124 | L | 93.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 67 Ų | 67 | 12% | 0.12 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.9 | -178.2 | -58.3 | 178 | 0 | 0 | 0 | 109.8 | V92 L93 L94 R122 A129 | V92-L124 PolarHBondContact O-N 2.95Å; L93-L124 HydrophobicContact CD1-CB 4.01Å; L94-L124 PolarHBondContact N-O 3.26Å; R122-L124 HydrophobicContact CG-CD2 3.73Å; R122-L124 HydrophobicContact CG-CG 4.3Å; L124-A129 HydrophobicContact CD1-CB 3.57Å |
| 125 | T | 90.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | trans | -121.4 | -10.4 | 172.4 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | L94 P109 R127 | L94-T125 HydrophobicContact CD1-CG2 4.35Å; P109-T125 HydrophobicContact CG-CG2 3.67Å; T125-R127 PolarHBondContact O-N 3.25Å | ||
| 126 | D | 89.8 | Confident | 92.9 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | trans | -78.8 | 116.2 | 175 | -176.2 | -1.6 | 0 | 0 | 0 | 110 | L93 A128 A129 | L93-D126 VanDerWaalsContact CD1-O 3.24Å; L93-D126 WeakPolarHBondContact CD1-O 3.25Å; D126-A128 PolarHBondContact O-N 3.37Å; D126-A128 WeakPolarHBondContact OD1-CB 3.5Å; D126-A128 PolarHBondContact OD1-N 2.9Å; D126-A129 WeakPolarHBondContact O-CB 3.32Å; D126-A129 PolarHBondContact O-N 3.03Å; D126-A129 VanDerWaalsContact O-N 3.11Å | ||
| 127 | R | 88.6 | Confident | 93 | Very high | 99 Ų | 99 | 53.2 Ų | 53.2 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -65.3 | -20.9 | -179.3 | -67.9 | -175.6 | 174.4 | -172.3 | -2.5 | 113.2 | W95 T125 A129 Y130 D149 | W95-R127 HydrophobicContact CE3-CG 4.43Å; W95-R127 HydrophobicContact CH2-CB 4.38Å; W95-R127 HydrophobicContact CH2-CG 4.27Å; W95-R127 HydrophobicContact CZ3-CB 4.27Å; W95-R127 HydrophobicContact CZ3-CG 4.12Å; W95-R127 PolarHBondContact O-NE 3.33Å; W95-R127 PolarHBondContact O-NH2 3.32Å; T125-R127 PolarHBondContact O-N 3.25Å; R127-A129 PolarHBondContact O-N 2.91Å; R127-A129 VanDerWaalsContact O-N 3.17Å; R127-Y130 VanDerWaalsContact O-CB 3.27Å; R127-Y130 WeakPolarHBondContact O-CB 3.25Å; R127-Y130 PolarHBondContact O-N 3.5Å; R127-D149 IonicContact CZ-OD1 2.93Å; R127-D149 IonicContact CZ-OD2 2.69Å; R127-D149 IonicContact NH1-OD1 3.66Å; R127-D149 PolarHBondContact NH1-OD1 3.21Å; R127-D149 IonicContact NH1-OD2 2.83Å; R127-D149 PolarHBondContact NH1-OD2 3.11Å; R127-D149 IonicContact NH2-OD2 2.74Å; R127-D149 PolarHBondContact NH2-OD2 3.23Å |
| 128 | A | 89.8 | Confident | 92.9 | Very high | 83 Ų | 83 | 46.6 Ų | 46.6 | 69% | 0.686 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -59.4 | -25.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | D126 Y130 | D126-A128 PolarHBondContact O-N 3.37Å; D126-A128 WeakPolarHBondContact OD1-CB 3.5Å; D126-A128 PolarHBondContact OD1-N 2.9Å; A128-Y130 PolarHBondContact O-N 3.47Å |
| 129 | A | 91.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -77.8 | 5.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L124 D126 R127 G131 E132 A133 | L124-A129 HydrophobicContact CD1-CB 3.57Å; D126-A129 WeakPolarHBondContact O-CB 3.32Å; D126-A129 PolarHBondContact O-N 3.03Å; D126-A129 VanDerWaalsContact O-N 3.11Å; R127-A129 PolarHBondContact O-N 2.91Å; R127-A129 VanDerWaalsContact O-N 3.17Å; A129-G131 VanDerWaalsContact C-N 3.32Å; A129-G131 PolarHBondContact O-N 3.33Å; A129-E132 PolarHBondContact O-N 3.12Å; A129-E132 VanDerWaalsContact O-N 3.12Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.83Å |
| 130 | Y | 91.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -53.6 | -45.4 | -179.3 | 171.7 | -117.1 | 0 | 0 | 0 | 112.9 | L93 W95 R127 A128 E132 V136 P151 P152 Q193 W195 | L93-Y130 HydrophobicContact CD2-CD2 4.45Å; W95-Y130 HydrophobicContact CZ3-CD2 4.11Å; W95-Y130 HydrophobicContact CZ3-CG 4.23Å; R127-Y130 VanDerWaalsContact O-CB 3.27Å; R127-Y130 WeakPolarHBondContact O-CB 3.25Å; R127-Y130 PolarHBondContact O-N 3.5Å; A128-Y130 PolarHBondContact O-N 3.47Å; Y130-E132 VanDerWaalsContact C-N 3.26Å; Y130-E132 PolarHBondContact O-N 2.89Å; Y130-V136 HydrophobicContact CD2-CG2 3.82Å; Y130-V136 HydrophobicContact CE2-CG2 3.95Å; Y130-P151 HydrophobicContact CD1-CB 4.03Å; Y130-P151 HydrophobicContact CD2-CB 3.77Å; Y130-P151 HydrophobicContact CD2-CG 4.12Å; Y130-P151 HydrophobicContact CE1-CB 3.73Å; Y130-P151 HydrophobicContact CE2-CB 3.46Å; Y130-P151 VanDerWaalsContact CE2-CB 3.46Å; Y130-P151 HydrophobicContact CE2-CG 3.76Å; Y130-P151 HydrophobicContact CG-CB 4.06Å; Y130-P151 VanDerWaalsContact CZ-CB 3.46Å; Y130-P152 HydrophobicContact CD1-CG 4.42Å; Y130-P152 WeakPolarHBondContact CE1-O 3.18Å; Y130-Q193 PolarHBondContact O-NE2 3.11Å; Y130-W195 HydrophobicContact CE2-CZ2 4.21Å; Y130-W195 AromaticContact CE2-NE1 3.78Å; Y130-W195 WeakPolarHBondContact OH-CZ2 3.35Å |
| 131 | G | 90.3 | Very high | 92.4 | Very high | 30 Ų | 30 | 47 Ų | 47 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -67.1 | -25.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A129 | A129-G131 VanDerWaalsContact C-N 3.32Å; A129-G131 PolarHBondContact O-N 3.33Å |
| 132 | E | 91.3 | Very high | 91.7 | Very high | 153 Ų | 153 | 48 Ų | 48 | 72% | 0.715 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -16.2 | -174.6 | -61 | -178.2 | 178.9 | 0 | 0 | 113.3 | S91 A129 Y130 Q134 | S91-E132 PolarHBondContact OG-O 3.28Å; A129-E132 PolarHBondContact O-N 3.12Å; A129-E132 VanDerWaalsContact O-N 3.12Å; Y130-E132 VanDerWaalsContact C-N 3.26Å; Y130-E132 PolarHBondContact O-N 2.89Å; E132-Q134 PolarHBondContact O-NE2 3.4Å |
| 133 | A | 94.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -68.4 | 133.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S91 L93 A129 A135 V136 Q193 | S91-A133 WeakPolarHBondContact OG-CA 3.27Å; L93-A133 HydrophobicContact CB-CB 3.74Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.83Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A133-V136 HydrophobicContact CB-CG2 4.47Å; A133-Q193 WeakPolarHBondContact O-CG 3.43Å; A133-Q193 PolarHBondContact O-NE2 3.38Å | ||
| 134 | Q | 93.9 | Very high | 90.3 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -73.5 | -28.6 | 174.4 | -75.4 | 74.2 | 63.6 | 0 | 0 | 112 | S91 E132 Q193 R194 V414 | S91-Q134 PolarHBondContact O-N 2.82Å; S91-Q134 PolarHBondContact OG-N 2.93Å; S91-Q134 PolarHBondContact OG-OE1 2.83Å; E132-Q134 PolarHBondContact O-NE2 3.4Å; Q134-Q193 WeakPolarHBondContact O-CA 3.29Å; Q134-R194 PolarHBondContact O-N 3.03Å; Q134-V414 HydrophobicContact CB-CG1 3.9Å |
| 135 | A | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 152.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S91 V92 L93 A133 R194 V196 V414 | S91-A135 PolarHBondContact O-N 3.37Å; V92-A135 CarbonylContact C-O 3.48Å; V92-A135 WeakPolarHBondContact CA-O 3.32Å; V92-A135 HydrophobicContact CG1-CB 4.5Å; V92-A135 HydrophobicContact CG2-CB 4.31Å; L93-A135 PolarHBondContact N-O 3.26Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A135-R194 CarbonylContact C-O 3.51Å; A135-R194 WeakPolarHBondContact CA-O 3.15Å; A135-R194 HydrophobicContact CB-CB 4.02Å; A135-R194 WeakPolarHBondContact CB-O 3.42Å; A135-V196 HydrophobicContact CB-CG2 4.27Å; A135-V414 HydrophobicContact CB-CG2 3.68Å |
| 136 | V | 95.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.4 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | L93 W95 Y130 A133 F138 Q193 R194 V196 | L93-V136 HydrophobicContact CB-CG1 4.45Å; L93-V136 HydrophobicContact CB-CG2 4.36Å; L93-V136 HydrophobicContact CD2-CG1 4.39Å; L93-V136 HydrophobicContact CG-CG1 4.44Å; L93-V136 CarbonylContact O-C 3.56Å; L93-V136 WeakPolarHBondContact O-CA 3.33Å; W95-V136 HydrophobicContact CB-CG1 3.92Å; W95-V136 HydrophobicContact CD2-CG1 4.34Å; W95-V136 HydrophobicContact CE3-CG1 3.89Å; W95-V136 HydrophobicContact CG-CG1 4.38Å; Y130-V136 HydrophobicContact CD2-CG2 3.82Å; Y130-V136 HydrophobicContact CE2-CG2 3.95Å; A133-V136 HydrophobicContact CB-CG2 4.47Å; V136-F138 HydrophobicContact CB-CE2 3.71Å; V136-F138 HydrophobicContact CB-CZ 4.04Å; V136-F138 HydrophobicContact CG1-CD2 4.26Å; V136-F138 HydrophobicContact CG1-CE1 4.12Å; V136-F138 HydrophobicContact CG1-CE2 3.48Å; V136-F138 VanDerWaalsContact CG1-CE2 3.48Å; V136-F138 HydrophobicContact CG1-CZ 3.4Å; V136-F138 WeakPolarHBondContact O-CD2 3.25Å; V136-Q193 HydrophobicContact CG2-CG 4.17Å; V136-R194 PolarHBondContact N-O 3.07Å; V136-V196 PolarHBondContact O-N 3.21Å |
| 137 | L | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.8 | -175.4 | -166.1 | 66.9 | 0 | 0 | 0 | 110.8 | V92 L93 L94 W95 W96 V196 M198 L221 W407 | V92-L137 HydrophobicContact CG1-CB 4.4Å; L93-L137 PolarHBondContact O-N 3.24Å; L94-L137 HydrophobicContact CD2-CB 4.17Å; L94-L137 HydrophobicContact CD2-CD2 3.82Å; W95-L137 WeakPolarHBondContact CB-O 3.35Å; W95-L137 PolarHBondContact N-O 2.71Å; W95-L137 VanDerWaalsContact N-O 3.08Å; W96-L137 HydrophobicContact CH2-CD2 4.02Å; W96-L137 HydrophobicContact CH2-CG 4.34Å; W96-L137 HydrophobicContact CZ3-CB 4.28Å; W96-L137 HydrophobicContact CZ3-CD2 4.08Å; W96-L137 HydrophobicContact CZ3-CG 3.95Å; W96-L137 WeakPolarHBondContact CZ3-O 3.44Å; L137-V196 HydrophobicContact CD1-CB 3.55Å; L137-V196 HydrophobicContact CD1-CG1 3.45Å; L137-V196 VanDerWaalsContact CD1-CG1 3.45Å; L137-M198 HydrophobicContact CD1-CB 3.87Å; L137-M198 HydrophobicContact CD2-SD 3.78Å; L137-M198 HydrophobicContact CG-CB 4.14Å; L137-M198 HydrophobicContact CG-SD 4.31Å; L137-L221 HydrophobicContact CD1-CD2 3.82Å; L137-L221 HydrophobicContact CD2-CD2 4.17Å; L137-W407 VanDerWaalsContact CD2-CD1 3.44Å; L137-W407 HydrophobicContact CD2-CG 4.47Å |
| 138 | F | 92.9 | Very high | 85.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.5 | -177.8 | -61.9 | -89.6 | 0 | 0 | 0 | 110.8 | W95 V136 H140 L143 W150 P151 W195 V196 M198 F217 | W95-F138 HydrophobicContact CB-CD1 3.82Å; W95-F138 HydrophobicContact CB-CE1 3.79Å; W95-F138 HydrophobicContact CB-CG 4.49Å; W95-F138 HydrophobicContact CB-CZ 4.46Å; W95-F138 AromaticContact CD1-CD1 3.68Å; W95-F138 AromaticContact CD1-CE1 3.5Å; W95-F138 VanDerWaalsContact CD1-CE1 3.5Å; W95-F138 AromaticContact CD2-CE1 3.94Å; W95-F138 HydrophobicContact CD2-CE1 3.94Å; W95-F138 AromaticContact CG-CD1 3.78Å; W95-F138 HydrophobicContact CG-CD1 3.78Å; W95-F138 AromaticContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CE1 3.42Å; W95-F138 VanDerWaalsContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CZ 4.27Å; V136-F138 HydrophobicContact CB-CE2 3.71Å; V136-F138 HydrophobicContact CB-CZ 4.04Å; V136-F138 HydrophobicContact CG1-CD2 4.26Å; V136-F138 HydrophobicContact CG1-CE1 4.12Å; V136-F138 HydrophobicContact CG1-CE2 3.48Å; V136-F138 VanDerWaalsContact CG1-CE2 3.48Å; V136-F138 HydrophobicContact CG1-CZ 3.4Å; V136-F138 WeakPolarHBondContact O-CD2 3.25Å; F138-H140 PolarHBondContact O-N 2.93Å; F138-L143 HydrophobicContact CB-CD1 4.22Å; F138-L143 HydrophobicContact CB-CD2 4Å; F138-L143 HydrophobicContact CB-CG 4.39Å; F138-L143 HydrophobicContact CD1-CD2 3.95Å; F138-L143 HydrophobicContact CG-CD2 4.35Å; F138-W150 HydrophobicContact CD1-CE3 4.36Å; F138-W150 HydrophobicContact CD1-CZ3 4.1Å; F138-W150 HydrophobicContact CE1-CE3 4.08Å; F138-W150 HydrophobicContact CE1-CZ3 4.19Å; F138-P151 HydrophobicContact CE1-CG 3.9Å; F138-P151 HydrophobicContact CZ-CG 3.68Å; F138-W195 HydrophobicContact CD2-CB 4.4Å; F138-W195 HydrophobicContact CE2-CB 3.89Å; F138-W195 AromaticContact CE2-CD2 3.64Å; F138-W195 HydrophobicContact CE2-CD2 3.64Å; F138-W195 AromaticContact CE2-CE3 3.9Å; F138-W195 HydrophobicContact CE2-CE3 3.9Å; F138-W195 AromaticContact CE2-CG 3.66Å; F138-W195 HydrophobicContact CE2-CG 3.66Å; F138-W195 AromaticContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CE3 4Å; F138-W195 HydrophobicContact CZ-CG 4.31Å; F138-W195 HydrophobicContact CZ-CH2 4.44Å; F138-W195 HydrophobicContact CZ-CZ2 4.32Å; F138-W195 HydrophobicContact CZ-CZ3 4.28Å; F138-V196 PolarHBondContact N-O 3.46Å; F138-M198 PolarHBondContact O-N 2.89Å; F138-F217 HydrophobicContact CB-CE1 3.87Å; F138-F217 HydrophobicContact CB-CZ 4.28Å; F138-F217 HydrophobicContact CD2-CD1 4.36Å; F138-F217 AromaticContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CE2-CE1 4.34Å; F138-F217 AromaticContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CZ 4.48Å |
| 139 | H | 91.6 | Very high | 84.9 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.3 | 172.4 | -173.5 | -63.2 | 0 | 0 | 0 | 110.3 | W96 F99 R141 D142 M198 W403 | W96-H139 HydrophobicContact CD2-CB 3.63Å; W96-H139 HydrophobicContact CE3-CB 3.63Å; W96-H139 HydrophobicContact CG-CB 4.43Å; W96-H139 HydrophobicContact CH2-CB 3.74Å; W96-H139 HydrophobicContact CZ2-CB 3.68Å; W96-H139 HydrophobicContact CZ3-CB 3.69Å; F99-H139 AromaticContact CZ-CD2 3.61Å; F99-H139 AromaticContact CZ-NE2 3.88Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 VanDerWaalsContact CE1-CB 3.43Å; H139-R141 WeakPolarHBondContact CE1-CB 3.33Å; H139-R141 VanDerWaalsContact ND1-CB 3.3Å; H139-R141 WeakPolarHBondContact ND1-CB 3.22Å; H139-R141 PolarHBondContact ND1-N 2.9Å; H139-R141 PolarHBondContact O-N 2.74Å; H139-R141 VanDerWaalsContact O-N 3.13Å; H139-D142 WeakPolarHBondContact CB-OD2 3.21Å; H139-D142 IonicContact CG-OD2 3.15Å; H139-D142 IonicContact ND1-OD2 3.83Å; H139-D142 PolarHBondContact O-N 2.81Å; H139-M198 WeakPolarHBondContact CA-O 3.36Å; H139-M198 HydrophobicContact CB-CE 3.89Å; H139-M198 WeakPolarHBondContact CD2-CE 3.31Å; H139-W403 AromaticContact CD2-CH2 3.56Å; H139-W403 AromaticContact CD2-CZ2 3.87Å; H139-W403 AromaticContact NE2-CH2 3.23Å; H139-W403 WeakPolarHBondContact NE2-CH2 3.49Å; H139-W403 AromaticContact NE2-CZ2 3.51Å |
| 140 | H | 91.3 | Very high | 84.5 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -47.2 | -48.4 | -176 | 172 | 67 | 0 | 0 | 0 | 114.2 | F138 D142 L143 V144 W197 M198 N199 T206 P207 | F138-H140 PolarHBondContact O-N 2.93Å; H140-D142 PolarHBondContact O-N 2.9Å; H140-D142 VanDerWaalsContact O-N 3.12Å; H140-L143 VanDerWaalsContact O-CB 3.31Å; H140-L143 WeakPolarHBondContact O-CB 3.45Å; H140-L143 PolarHBondContact O-N 2.99Å; H140-V144 PolarHBondContact O-N 2.87Å; H140-W197 HydrophobicContact CB-CZ2 4.14Å; H140-W197 AromaticContact CG-NE1 3.86Å; H140-W197 AromaticContact ND1-NE1 3.59Å; H140-M198 PolarHBondContact N-O 2.96Å; H140-N199 HydrophobicContact CB-CB 3.9Å; H140-T206 WeakPolarHBondContact CD2-CG2 3.48Å; H140-T206 WeakPolarHBondContact NE2-CG2 3.48Å; H140-P207 PolarHBondContact CE1-O 2.66Å; H140-P207 PolarHBondContact NE2-O 2.77Å |
| 141 | R | 86.9 | Confident | 84.2 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -51.6 | -35.9 | 179.7 | -168.8 | -164.6 | 75.4 | 169.2 | 4.8 | 113.6 | F99 H139 L143 K145 | F99-R141 VanDerWaalsContact CE1-NH1 3.28Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 VanDerWaalsContact CE1-CB 3.43Å; H139-R141 WeakPolarHBondContact CE1-CB 3.33Å; H139-R141 VanDerWaalsContact ND1-CB 3.3Å; H139-R141 WeakPolarHBondContact ND1-CB 3.22Å; H139-R141 PolarHBondContact ND1-N 2.9Å; H139-R141 PolarHBondContact O-N 2.74Å; H139-R141 VanDerWaalsContact O-N 3.13Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-K145 HydrophobicContact CG-CD 3.78Å; R141-K145 HydrophobicContact CG-CG 4.28Å; R141-K145 WeakPolarHBondContact O-CB 3.42Å; R141-K145 VanDerWaalsContact O-CG 3.31Å; R141-K145 WeakPolarHBondContact O-CG 3.38Å; R141-K145 PolarHBondContact O-N 3.47Å |
| 142 | D | 82.3 | Confident | 83.7 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -86.4 | -12.2 | -175.4 | -50.9 | -47.4 | 0 | 0 | 0 | 111.3 | W96 H139 H140 | W96-D142 HydrophobicContact CB-CB 4.39Å; W96-D142 VanDerWaalsContact CD1-OD2 3.25Å; W96-D142 VanDerWaalsContact CG-OD2 3.29Å; H139-D142 WeakPolarHBondContact CB-OD2 3.21Å; H139-D142 IonicContact CG-OD2 3.15Å; H139-D142 IonicContact ND1-OD2 3.83Å; H139-D142 PolarHBondContact O-N 2.81Å; H140-D142 PolarHBondContact O-N 2.9Å; H140-D142 VanDerWaalsContact O-N 3.12Å |
| 143 | L | 82.9 | Confident | 83.1 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.4 | -21.5 | 169.8 | -55 | 178.8 | 0 | 0 | 0 | 113.2 | F138 H140 R141 W150 L212 F217 | F138-L143 HydrophobicContact CB-CD1 4.22Å; F138-L143 HydrophobicContact CB-CD2 4Å; F138-L143 HydrophobicContact CB-CG 4.39Å; F138-L143 HydrophobicContact CD1-CD2 3.95Å; F138-L143 HydrophobicContact CG-CD2 4.35Å; H140-L143 VanDerWaalsContact O-CB 3.31Å; H140-L143 WeakPolarHBondContact O-CB 3.45Å; H140-L143 PolarHBondContact O-N 2.99Å; R141-L143 VanDerWaalsContact C-N 3.33Å; L143-W150 HydrophobicContact CB-CH2 4.39Å; L143-W150 HydrophobicContact CD1-CH2 3.96Å; L143-W150 HydrophobicContact CD2-CE3 4.2Å; L143-W150 HydrophobicContact CD2-CH2 3.33Å; L143-W150 HydrophobicContact CD2-CZ2 3.97Å; L143-W150 HydrophobicContact CD2-CZ3 3.47Å; L143-W150 VanDerWaalsContact CD2-CZ3 3.47Å; L143-W150 HydrophobicContact CG-CH2 4.08Å; L143-L212 HydrophobicContact CB-CD2 4.32Å; L143-L212 HydrophobicContact CD1-CD1 4.39Å; L143-L212 HydrophobicContact CD1-CD2 4.41Å; L143-F217 HydrophobicContact CD1-CE2 4.09Å; L143-F217 HydrophobicContact CD1-CZ 3.53Å |
| 144 | V | 77.5 | Confident | 82.2 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.327 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -118.8 | -3.1 | -171.5 | -57.5 | 0 | 0 | 0 | 0 | 113.7 | H140 | H140-V144 PolarHBondContact O-N 2.87Å |
| 145 | K | 68 | Low | 80.9 | Confident | 139 Ų | 139 | 49.2 Ų | 49.2 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -106.8 | 109.1 | 175.9 | -75.5 | -169.2 | -178.6 | -173 | 0 | 110.5 | R141 | R141-K145 HydrophobicContact CG-CD 3.78Å; R141-K145 HydrophobicContact CG-CG 4.28Å; R141-K145 WeakPolarHBondContact O-CB 3.42Å; R141-K145 VanDerWaalsContact O-CG 3.31Å; R141-K145 WeakPolarHBondContact O-CG 3.38Å; R141-K145 PolarHBondContact O-N 3.47Å |
| 146 | G | 64.8 | Low | 79.3 | Confident | 59 Ų | 59 | 51.1 Ų | 51.1 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 89.3 | -174.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 147 | P | 64.9 | Low | 77.3 | Confident | 117 Ų | 117 | 58.5 Ų | 58.5 | 76% | 0.76 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -59.2 | 139.8 | 173.8 | 25.7 | -32.5 | 0 | 0 | 0 | 109.6 | D149 | P147-D149 PolarHBondContact O-N 3.01Å; P147-D149 VanDerWaalsContact O-N 3.1Å |
| 148 | P | 66.3 | Low | 75 | Confident | 88 Ų | 88 | 66.2 Ų | 66.2 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | trans | -62.8 | 115.6 | -178.5 | -17.7 | 29.3 | 0 | 0 | 0 | 111.2 | W150 | P148-W150 HydrophobicContact CB-CG 4.45Å; P148-W150 PolarHBondContact O-N 3.33Å | ||
| 149 | D | 76.2 | Confident | 72.8 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | trans | -97.3 | 76.8 | 177.6 | 177.5 | 22.2 | 0 | 0 | 0 | 108.6 | W95 R127 P147 | W95-D149 PolarHBondContact NE1-O 2.79Å; R127-D149 IonicContact CZ-OD1 2.93Å; R127-D149 IonicContact CZ-OD2 2.69Å; R127-D149 IonicContact NH1-OD1 3.66Å; R127-D149 PolarHBondContact NH1-OD1 3.21Å; R127-D149 IonicContact NH1-OD2 2.83Å; R127-D149 PolarHBondContact NH1-OD2 3.11Å; R127-D149 IonicContact NH2-OD2 2.74Å; R127-D149 PolarHBondContact NH2-OD2 3.23Å; P147-D149 PolarHBondContact O-N 3.01Å; P147-D149 VanDerWaalsContact O-N 3.1Å | ||
| 150 | W | 82.3 | Confident | 70.5 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -90 | 155.8 | -179.7 | -66.2 | 110.3 | 0 | 0 | 0 | 111.6 | F138 L143 P148 W195 L212 L216 F217 | F138-W150 HydrophobicContact CD1-CE3 4.36Å; F138-W150 HydrophobicContact CD1-CZ3 4.1Å; F138-W150 HydrophobicContact CE1-CE3 4.08Å; F138-W150 HydrophobicContact CE1-CZ3 4.19Å; L143-W150 HydrophobicContact CB-CH2 4.39Å; L143-W150 HydrophobicContact CD1-CH2 3.96Å; L143-W150 HydrophobicContact CD2-CE3 4.2Å; L143-W150 HydrophobicContact CD2-CH2 3.33Å; L143-W150 HydrophobicContact CD2-CZ2 3.97Å; L143-W150 HydrophobicContact CD2-CZ3 3.47Å; L143-W150 VanDerWaalsContact CD2-CZ3 3.47Å; L143-W150 HydrophobicContact CG-CH2 4.08Å; P148-W150 HydrophobicContact CB-CG 4.45Å; P148-W150 PolarHBondContact O-N 3.33Å; W150-W195 HydrophobicContact CE3-CH2 4.4Å; W150-W195 AromaticContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CZ3-CZ3 4.09Å; W150-L212 HydrophobicContact CH2-CD2 4.13Å; W150-L212 HydrophobicContact CZ2-CD2 3.94Å; W150-L216 HydrophobicContact CH2-CD2 3.54Å; W150-L216 HydrophobicContact CZ2-CD2 3.96Å; W150-L216 HydrophobicContact CZ3-CD2 4.06Å; W150-F217 HydrophobicContact CH2-CE2 4.41Å; W150-F217 AromaticContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CZ3-CE1 4.49Å; W150-F217 AromaticContact CZ3-CZ 3.94Å; W150-F217 HydrophobicContact CZ3-CZ 3.94Å |
| 151 | P | 85.1 | Confident | 68.1 | Low | 9 Ų | 9 | 82.8 Ų | 82.8 | 6% | 0.058 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 147.7 | 168.6 | -17 | 27.5 | 0 | 0 | 0 | 111.2 | W95 Y130 F138 W195 | W95-P151 HydrophobicContact CD2-CG 3.84Å; W95-P151 HydrophobicContact CE3-CB 4.42Å; W95-P151 HydrophobicContact CE3-CG 3.81Å; W95-P151 HydrophobicContact CH2-CB 3.47Å; W95-P151 VanDerWaalsContact CH2-CB 3.47Å; W95-P151 HydrophobicContact CH2-CG 3.63Å; W95-P151 HydrophobicContact CZ2-CB 3.81Å; W95-P151 HydrophobicContact CZ2-CG 3.64Å; W95-P151 HydrophobicContact CZ3-CB 3.79Å; W95-P151 HydrophobicContact CZ3-CG 3.7Å; Y130-P151 HydrophobicContact CD1-CB 4.03Å; Y130-P151 HydrophobicContact CD2-CB 3.77Å; Y130-P151 HydrophobicContact CD2-CG 4.12Å; Y130-P151 HydrophobicContact CE1-CB 3.73Å; Y130-P151 HydrophobicContact CE2-CB 3.46Å; Y130-P151 VanDerWaalsContact CE2-CB 3.46Å; Y130-P151 HydrophobicContact CE2-CG 3.76Å; Y130-P151 HydrophobicContact CG-CB 4.06Å; Y130-P151 VanDerWaalsContact CZ-CB 3.46Å; F138-P151 HydrophobicContact CE1-CG 3.9Å; F138-P151 HydrophobicContact CZ-CG 3.68Å; P151-W195 HydrophobicContact CB-CZ2 4.17Å; P151-W195 HydrophobicContact CG-CH2 4.04Å; P151-W195 HydrophobicContact CG-CZ2 3.72Å |
| 152 | P | 80.8 | Confident | 65.8 | Low | 62 Ų | 62 | 86.8 Ų | 86.8 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 147.8 | 174.1 | 27.5 | -34.3 | 0 | 0 | 0 | 109.6 | Y130 W154 | Y130-P152 HydrophobicContact CD1-CG 4.42Å; Y130-P152 WeakPolarHBondContact CE1-O 3.18Å; P152-W154 PolarHBondContact O-N 2.86Å |
| 153 | P | 78.1 | Confident | 63.9 | Low | 41 Ų | 41 | 88 Ų | 88 | 27% | 0.266 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 132.9 | 174.8 | -23.3 | 32.5 | 0 | 0 | 0 | 111.2 | G155 A156 T185 S188 | P153-G155 PolarHBondContact O-N 3.09Å; P153-A156 HydrophobicContact CB-CB 4.16Å; P153-A156 VanDerWaalsContact O-CB 3.28Å; P153-A156 WeakPolarHBondContact O-CB 3.35Å; P153-A156 PolarHBondContact O-N 2.94Å; P153-A156 VanDerWaalsContact O-N 3.09Å; P153-T185 WeakPolarHBondContact CG-OG1 3.26Å; P153-S188 WeakPolarHBondContact CA-OG 3.48Å; P153-S188 WeakPolarHBondContact CB-OG 3.43Å |
| 154 | W | 76.1 | Confident | 61.8 | Low | 124 Ų | 124 | 94.3 Ų | 94.3 | 47% | 0.47 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 131.4 | 173.1 | -177.1 | -112.5 | 0 | 0 | 0 | 110.5 | P152 A156 S188 P190 | P152-W154 PolarHBondContact O-N 2.86Å; W154-A156 VanDerWaalsContact C-N 3.34Å; W154-S188 VanDerWaalsContact CB-C 3.47Å; W154-S188 VanDerWaalsContact CB-O 3.23Å; W154-S188 WeakPolarHBondContact CB-O 3.36Å; W154-S188 PolarHBondContact N-O 2.94Å; W154-S188 PolarHBondContact N-OG 3.32Å; W154-S188 PolarHBondContact O-OG 2.85Å; W154-S188 VanDerWaalsContact O-OG 3.1Å; W154-P190 HydrophobicContact CD2-CB 4.23Å; W154-P190 HydrophobicContact CD2-CG 3.79Å; W154-P190 HydrophobicContact CE3-CB 4.41Å; W154-P190 HydrophobicContact CE3-CG 3.57Å; W154-P190 HydrophobicContact CG-CG 4.39Å; W154-P190 HydrophobicContact CH2-CG 4.29Å; W154-P190 HydrophobicContact CZ2-CB 4.4Å; W154-P190 HydrophobicContact CZ2-CG 4.49Å; W154-P190 HydrophobicContact CZ3-CG 3.85Å |
| 155 | G | 66.9 | Low | 60 | Low | 27 Ų | 27 | 99.6 Ų | 99.6 | 28% | 0.278 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -3.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P153 Q157 | P153-G155 PolarHBondContact O-N 3.09Å; G155-Q157 VanDerWaalsContact C-N 3.31Å |
| 156 | A | 61.2 | Low | 58.9 | Low | 39 Ų | 39 | 100.1 Ų | 100.1 | 32% | 0.322 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.5 | -27.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P153 W154 R159 T160 | P153-A156 HydrophobicContact CB-CB 4.16Å; P153-A156 VanDerWaalsContact O-CB 3.28Å; P153-A156 WeakPolarHBondContact O-CB 3.35Å; P153-A156 PolarHBondContact O-N 2.94Å; P153-A156 VanDerWaalsContact O-N 3.09Å; W154-A156 VanDerWaalsContact C-N 3.34Å; A156-R159 PolarHBondContact O-N 2.86Å; A156-T160 PolarHBondContact O-N 2.84Å |
| 157 | Q | 53 | Low | 57.9 | Low | 156 Ų | 156 | 107.3 Ų | 107.3 | 73% | 0.729 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.3 | -26.9 | -179.9 | -126.5 | 163.6 | -36.8 | 0 | 0 | 113.4 | G155 T160 | G155-Q157 VanDerWaalsContact C-N 3.31Å; Q157-T160 PolarHBondContact O-OG1 3.46Å |
| 158 | E | 46.6 | Very low | 56.8 | Low | 162 Ų | 162 | 108.8 Ų | 108.8 | 76% | 0.757 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77.6 | -26.4 | 171.6 | -70.1 | -171.8 | 160.9 | 0 | 0 | 111.6 | ||
| 159 | R | 45.3 | Very low | 55.7 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -80 | -20.9 | -176.8 | -130.5 | -177.7 | -74.8 | -173.9 | -3.9 | 113.3 | A156 D161 E162 A163 E181 | A156-R159 PolarHBondContact O-N 2.86Å; R159-D161 VanDerWaalsContact C-N 3.3Å; R159-D161 PolarHBondContact O-N 3.16Å; R159-E162 PolarHBondContact O-N 2.91Å; R159-A163 WeakPolarHBondContact O-CB 3.43Å; R159-A163 PolarHBondContact O-N 2.93Å; R159-E181 IonicContact NH1-OE1 3.97Å |
| 160 | T | 43.3 | Very low | 54.6 | Low | 81 Ų | 81 | 114.4 Ų | 114.4 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.2 | -25.4 | 176.9 | 43.4 | 0 | 0 | 0 | 0 | 113.4 | A156 Q157 | A156-T160 PolarHBondContact O-N 2.84Å; Q157-T160 PolarHBondContact O-OG1 3.46Å |
| 161 | D | 41.1 | Very low | 53.8 | Low | 142 Ų | 142 | 118.4 Ų | 118.4 | 76% | 0.759 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.4 | -24.5 | 176.1 | -73.2 | -8.9 | 0 | 0 | 0 | 112.2 | R159 | R159-D161 VanDerWaalsContact C-N 3.3Å; R159-D161 PolarHBondContact O-N 3.16Å |
| 162 | E | 40.2 | Very low | 52.3 | Low | 173 Ų | 173 | 125.6 Ų | 125.6 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -97 | -21.8 | 174.8 | -73.4 | -170.5 | 152.4 | 0 | 0 | 114.3 | R159 | R159-E162 PolarHBondContact O-N 2.91Å |
| 163 | A | 40.6 | Very low | 51 | Low | 70 Ų | 70 | 130.5 Ų | 130.5 | 58% | 0.579 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 6.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R159 E165 | R159-A163 WeakPolarHBondContact O-CB 3.43Å; R159-A163 PolarHBondContact O-N 2.93Å; A163-E165 PolarHBondContact O-N 2.92Å |
| 164 | L | 39.7 | Very low | 49.9 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 7 | 175.9 | -117.9 | 143.6 | 0 | 0 | 0 | 113.7 | ||
| 165 | E | 40.2 | Very low | 48.8 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 77% | 0.771 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -115.6 | 114 | 162.5 | -77.6 | -165.5 | 153.5 | 0 | 0 | 112 | A163 | A163-E165 PolarHBondContact O-N 2.92Š|
| 166 | L | 44.8 | Very low | 48.1 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | 71.6 | 103.4 | 161.4 | -71.9 | 140.6 | 0 | 0 | 0 | 117.6 | ||||
| 167 | R | 42.4 | Very low | 47.7 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | 179.3 | 111.5 | 109.7 | -88 | 148.6 | -167 | -142.5 | 11.2 | 111.1 | F169 | R167-F169 HydrophobicContact CB-CD2 3.77Å; R167-F169 HydrophobicContact CB-CE2 3.71Å; R167-F169 HydrophobicContact CG-CD2 4.12Å; R167-F169 HydrophobicContact CG-CE2 3.51Å; R167-F169 HydrophobicContact CG-CZ 4.3Å | |||
| 168 | V | 43 | Very low | 47.9 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 90% | 0.903 | 67% | 0.673 | S | S | * | * | trans | -84.5 | 109.6 | 162.7 | 178.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 169 | F | 43.6 | Very low | 48.1 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 66% | 0.662 | 66% | 0.658 | S | S | * | * | trans | -121.7 | 146.2 | 167.4 | -75.8 | -67.1 | 0 | 0 | 0 | 109.7 | R167 | R167-F169 HydrophobicContact CB-CD2 3.77Å; R167-F169 HydrophobicContact CB-CE2 3.71Å; R167-F169 HydrophobicContact CG-CD2 4.12Å; R167-F169 HydrophobicContact CG-CE2 3.51Å; R167-F169 HydrophobicContact CG-CZ 4.3Å | ||
| 170 | D | 52.3 | Low | 48.5 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | trans | -51.5 | 147.8 | -171.9 | -124.3 | -9.9 | 0 | 0 | 0 | 113.6 | Q172 | D170-Q172 VanDerWaalsContact C-N 3.33Å; D170-Q172 PolarHBondContact O-N 2.9Å | ||
| 171 | D | 65 | Low | 48.9 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 22.3 | -147.1 | 45.1 | 3.9 | 0 | 0 | 0 | 116.6 | ||
| 172 | Q | 53.9 | Low | 49.4 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | -40.3 | 168.8 | -74.2 | -170.7 | -18.8 | 0 | 0 | 113.8 | D170 A175 V176 | D170-Q172 VanDerWaalsContact C-N 3.33Å; D170-Q172 PolarHBondContact O-N 2.9Å; Q172-A175 PolarHBondContact O-N 3.32Å; Q172-V176 VanDerWaalsContact O-CG2 3.31Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.35Å; Q172-V176 VanDerWaalsContact O-N 3.15Å |
| 173 | E | 54.6 | Low | 50 | Low | 165 Ų | 165 | 120.5 Ų | 120.5 | 77% | 0.771 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76 | -35.9 | -177.5 | -147.2 | 167 | -158.3 | 0 | 0 | 111.3 | V176 M177 | E173-V176 PolarHBondContact O-N 3.09Å; E173-M177 WeakPolarHBondContact O-CB 3.45Å; E173-M177 WeakPolarHBondContact O-CG 3.38Å; E173-M177 PolarHBondContact O-N 3.48Å |
| 174 | G | 54.8 | Low | 50.5 | Low | 27 Ų | 27 | 124.3 Ų | 124.3 | 28% | 0.278 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.3 | -38 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M177 L178 | G174-M177 PolarHBondContact O-N 3.39Å; G174-L178 VanDerWaalsContact O-CB 3.31Å; G174-L178 WeakPolarHBondContact O-CB 3.28Å; G174-L178 VanDerWaalsContact O-CG 3.29Å; G174-L178 WeakPolarHBondContact O-CG 3.07Å; G174-L178 PolarHBondContact O-N 3.31Å |
| 175 | A | 52.3 | Low | 51.1 | Low | 59 Ų | 59 | 119 Ų | 119 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q172 A179 | Q172-A175 PolarHBondContact O-N 3.32Å; A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 2.85Å |
| 176 | V | 53.1 | Low | 51.7 | Low | 88 Ų | 88 | 113.8 Ų | 113.8 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.8 | -39.2 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | Q172 E173 A179 R180 | Q172-V176 VanDerWaalsContact O-CG2 3.31Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.35Å; Q172-V176 VanDerWaalsContact O-N 3.15Å; E173-V176 PolarHBondContact O-N 3.09Å; V176-A179 PolarHBondContact O-N 2.83Å; V176-R180 WeakPolarHBondContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CG 3.25Å; V176-R180 PolarHBondContact O-N 2.81Å |
| 177 | M | 52.7 | Low | 52.2 | Low | 114 Ų | 114 | 108.2 Ų | 108.2 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.1 | -44.1 | 174.1 | -77.5 | -65.4 | -68.8 | 0 | 0 | 112 | E173 G174 A179 R180 E181 | E173-M177 WeakPolarHBondContact O-CB 3.45Å; E173-M177 WeakPolarHBondContact O-CG 3.38Å; E173-M177 PolarHBondContact O-N 3.48Å; G174-M177 PolarHBondContact O-N 3.39Å; M177-A179 VanDerWaalsContact C-N 3.34Å; M177-A179 PolarHBondContact O-N 2.86Å; M177-R180 PolarHBondContact O-N 3.01Å; M177-E181 WeakPolarHBondContact O-CB 3.37Å; M177-E181 PolarHBondContact O-N 2.84Å |
| 178 | L | 55.6 | Low | 53.5 | Low | 116 Ų | 116 | 100.2 Ų | 100.2 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -36.9 | 173.5 | -77.4 | 166.8 | 0 | 0 | 0 | 112.2 | G174 A182 | G174-L178 VanDerWaalsContact O-CB 3.31Å; G174-L178 WeakPolarHBondContact O-CB 3.28Å; G174-L178 VanDerWaalsContact O-CG 3.29Å; G174-L178 WeakPolarHBondContact O-CG 3.07Å; G174-L178 PolarHBondContact O-N 3.31Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.45Å |
| 179 | A | 52 | Low | 55.4 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A175 V176 M177 L183 | A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 2.85Å; V176-A179 PolarHBondContact O-N 2.83Å; M177-A179 VanDerWaalsContact C-N 3.34Å; M177-A179 PolarHBondContact O-N 2.86Å; A179-L183 WeakPolarHBondContact O-CB 3.27Å; A179-L183 PolarHBondContact O-N 2.71Å |
| 180 | R | 52.6 | Low | 57.4 | Low | 153 Ų | 153 | 88.9 Ų | 88.9 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70 | -43.8 | 173.6 | -77.1 | 178.5 | 75.5 | 168.9 | 2.8 | 111.7 | V176 M177 L183 E184 | V176-R180 WeakPolarHBondContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CG 3.25Å; V176-R180 PolarHBondContact O-N 2.81Å; M177-R180 PolarHBondContact O-N 3.01Å; R180-L183 CarbonylContact O-C 3.54Å; R180-L183 WeakPolarHBondContact O-CB 3.42Å; R180-L183 PolarHBondContact O-N 3.38Å; R180-L183 VanDerWaalsContact O-N 3.15Å; R180-E184 WeakPolarHBondContact O-CB 3.27Å; R180-E184 WeakPolarHBondContact O-CG 3.43Å; R180-E184 PolarHBondContact O-N 3.27Å |
| 181 | E | 53.5 | Low | 59 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 175.6 | -168.6 | 173.5 | -172.7 | 0 | 0 | 110.9 | R159 M177 L183 E184 T185 | R159-E181 IonicContact NH1-OE1 3.97Å; M177-E181 WeakPolarHBondContact O-CB 3.37Å; M177-E181 PolarHBondContact O-N 2.84Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.43Å; E181-E184 PolarHBondContact O-N 3.3Å; E181-T185 HydrophobicContact CG-CG2 4.29Å; E181-T185 VanDerWaalsContact O-CB 3.25Å; E181-T185 WeakPolarHBondContact O-CB 2.93Å; E181-T185 WeakPolarHBondContact O-CG2 3.07Å; E181-T185 PolarHBondContact O-N 3.24Å; E181-T185 PolarHBondContact O-OG1 3.11Å |
| 182 | A | 50.9 | Low | 60 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L178 T185 T186 | L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.45Å; A182-T185 WeakPolarHBondContact CA-OG1 3.39Å; A182-T185 PolarHBondContact O-OG1 3.38Å; A182-T186 WeakPolarHBondContact O-CG2 3.26Å; A182-T186 PolarHBondContact O-N 2.84Å |
| 183 | L | 52.1 | Low | 61.7 | Low | 133 Ų | 133 | 76.8 Ų | 76.8 | 70% | 0.696 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.7 | -34 | 173.6 | -113.2 | 90.3 | 0 | 0 | 0 | 113.2 | A179 R180 E181 T185 T186 | A179-L183 WeakPolarHBondContact O-CB 3.27Å; A179-L183 PolarHBondContact O-N 2.71Å; R180-L183 CarbonylContact O-C 3.54Å; R180-L183 WeakPolarHBondContact O-CB 3.42Å; R180-L183 PolarHBondContact O-N 3.38Å; R180-L183 VanDerWaalsContact O-N 3.15Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.43Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T186 VanDerWaalsContact C-OG1 3.31Å; L183-T186 WeakPolarHBondContact CA-OG1 3.4Å; L183-T186 PolarHBondContact O-OG1 3.41Å |
| 184 | E | 51.7 | Low | 63.5 | Low | 151 Ų | 151 | 69.8 Ų | 69.8 | 71% | 0.706 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -75.5 | -26.7 | 176.7 | -74.4 | 174.2 | -174.3 | 0 | 0 | 111.7 | R180 E181 | R180-E184 WeakPolarHBondContact O-CB 3.27Å; R180-E184 WeakPolarHBondContact O-CG 3.43Å; R180-E184 PolarHBondContact O-N 3.27Å; E181-E184 PolarHBondContact O-N 3.3Å |
| 185 | T | 51.9 | Low | 65.4 | Low | 37 Ų | 37 | 68.8 Ų | 68.8 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -95.8 | -10.7 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | P153 E181 A182 L183 G187 S188 | P153-T185 WeakPolarHBondContact CG-OG1 3.26Å; E181-T185 HydrophobicContact CG-CG2 4.29Å; E181-T185 VanDerWaalsContact O-CB 3.25Å; E181-T185 WeakPolarHBondContact O-CB 2.93Å; E181-T185 WeakPolarHBondContact O-CG2 3.07Å; E181-T185 PolarHBondContact O-N 3.24Å; E181-T185 PolarHBondContact O-OG1 3.11Å; A182-T185 WeakPolarHBondContact CA-OG1 3.39Å; A182-T185 PolarHBondContact O-OG1 3.38Å; L183-T185 VanDerWaalsContact C-N 3.34Å; T185-G187 PolarHBondContact O-N 3.28Å; T185-S188 PolarHBondContact O-N 3.13Å |
| 186 | T | 52.2 | Low | 67.4 | Low | 57 Ų | 57 | 66 Ų | 66 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 102.7 | 167 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | A182 L183 | A182-T186 WeakPolarHBondContact O-CG2 3.26Å; A182-T186 PolarHBondContact O-N 2.84Å; L183-T186 VanDerWaalsContact C-OG1 3.31Å; L183-T186 WeakPolarHBondContact CA-OG1 3.4Å; L183-T186 PolarHBondContact O-OG1 3.41Å |
| 187 | G | 56 | Low | 69.4 | Low | 32 Ų | 32 | 61.8 Ų | 61.8 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 123.2 | -6.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T185 R189 | T185-G187 PolarHBondContact O-N 3.28Å; G187-R189 PolarHBondContact O-N 3.03Å; G187-R189 VanDerWaalsContact O-N 3.16Å |
| 188 | S | 69.8 | Low | 71.5 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -71.9 | 110.5 | 165.1 | 77.8 | 0 | 0 | 0 | 0 | 108.6 | P153 W154 T185 | P153-S188 WeakPolarHBondContact CA-OG 3.48Å; P153-S188 WeakPolarHBondContact CB-OG 3.43Å; W154-S188 VanDerWaalsContact CB-C 3.47Å; W154-S188 VanDerWaalsContact CB-O 3.23Å; W154-S188 WeakPolarHBondContact CB-O 3.36Å; W154-S188 PolarHBondContact N-O 2.94Å; W154-S188 PolarHBondContact N-OG 3.32Å; W154-S188 PolarHBondContact O-OG 2.85Å; W154-S188 VanDerWaalsContact O-OG 3.1Å; T185-S188 PolarHBondContact O-N 3.13Å | ||
| 189 | R | 82.3 | Confident | 73.4 | Confident | 52 Ų | 52 | 50.9 Ų | 50.9 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | -126 | 157.3 | 178.9 | 59.9 | -177.9 | 164 | -132.9 | -12.5 | 109.4 | G187 Q193 W195 L216 N218 | G187-R189 PolarHBondContact O-N 3.03Å; G187-R189 VanDerWaalsContact O-N 3.16Å; R189-Q193 WeakPolarHBondContact CD-O 3.37Å; R189-W195 HydrophobicContact CB-CZ2 4.48Å; R189-L216 PolarHBondContact NH1-O 3.25Å; R189-N218 VanDerWaalsContact CZ-CG 3.46Å; R189-N218 PolarHBondContact NE-OD1 3.23Å; R189-N218 PolarHBondContact NH1-OD1 2.6Å; R189-N218 PolarHBondContact NH2-ND2 3.5Å; R189-N218 PolarHBondContact NH2-OD1 3.02Å | ||
| 190 | P | 87.3 | Confident | 75.5 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | trans | -48.2 | 136.3 | 173.1 | -24.5 | 29.2 | 0 | 0 | 0 | 111.5 | W154 G192 Q193 | W154-P190 HydrophobicContact CD2-CB 4.23Å; W154-P190 HydrophobicContact CD2-CG 3.79Å; W154-P190 HydrophobicContact CE3-CB 4.41Å; W154-P190 HydrophobicContact CE3-CG 3.57Å; W154-P190 HydrophobicContact CG-CG 4.39Å; W154-P190 HydrophobicContact CH2-CG 4.29Å; W154-P190 HydrophobicContact CZ2-CB 4.4Å; W154-P190 HydrophobicContact CZ2-CG 4.49Å; W154-P190 HydrophobicContact CZ3-CG 3.85Å; P190-G192 PolarHBondContact O-N 2.02Å; P190-Q193 HydrophobicContact CB-CB 4.05Å; P190-Q193 HydrophobicContact CG-CB 4.36Å; P190-Q193 VanDerWaalsContact O-CB 3.3Å; P190-Q193 WeakPolarHBondContact O-CB 3.28Å; P190-Q193 PolarHBondContact O-N 2.94Å | ||
| 191 | P | 84.6 | Confident | 77.6 | Confident | 122 Ų | 122 | 45.1 Ų | 45.1 | 79% | 0.792 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 129.5 | 176.5 | -27.3 | 34.8 | 0 | 0 | 0 | 111.3 | Q193 | P191-Q193 VanDerWaalsContact C-N 3.27Å; P191-Q193 PolarHBondContact O-N 3.34Å |
| 192 | G | 85.3 | Confident | 79.6 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -16.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P190 R194 | P190-G192 PolarHBondContact O-N 2.02Å; G192-R194 PolarHBondContact O-N 3.23Å; G192-R194 PolarHBondContact O-NH1 3.03Å |
| 193 | Q | 90.6 | Very high | 81.7 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 137 | 176.5 | -177.3 | 179.3 | 88.4 | 0 | 0 | 111.5 | Y130 A133 Q134 V136 R189 P190 P191 W195 N218 | Y130-Q193 PolarHBondContact O-NE2 3.11Å; A133-Q193 WeakPolarHBondContact O-CG 3.43Å; A133-Q193 PolarHBondContact O-NE2 3.38Å; Q134-Q193 WeakPolarHBondContact O-CA 3.29Å; V136-Q193 HydrophobicContact CG2-CG 4.17Å; R189-Q193 WeakPolarHBondContact CD-O 3.37Å; P190-Q193 HydrophobicContact CB-CB 4.05Å; P190-Q193 HydrophobicContact CG-CB 4.36Å; P190-Q193 VanDerWaalsContact O-CB 3.3Å; P190-Q193 WeakPolarHBondContact O-CB 3.28Å; P190-Q193 PolarHBondContact O-N 2.94Å; P191-Q193 VanDerWaalsContact C-N 3.27Å; P191-Q193 PolarHBondContact O-N 3.34Å; Q193-W195 VanDerWaalsContact OE1-NE1 3.08Å; Q193-N218 PolarHBondContact O-OD1 2.87Å |
| 194 | R | 92.2 | Very high | 83.7 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.1 | 177.8 | -57.8 | -63.9 | -172.7 | -108.8 | 5.1 | 111.1 | Q134 A135 V136 G192 V196 N218 W219 G418 Q420 | Q134-R194 PolarHBondContact O-N 3.03Å; A135-R194 CarbonylContact C-O 3.51Å; A135-R194 WeakPolarHBondContact CA-O 3.15Å; A135-R194 HydrophobicContact CB-CB 4.02Å; A135-R194 WeakPolarHBondContact CB-O 3.42Å; V136-R194 PolarHBondContact N-O 3.07Å; G192-R194 PolarHBondContact O-N 3.23Å; G192-R194 PolarHBondContact O-NH1 3.03Å; R194-V196 HydrophobicContact CB-CG2 4.39Å; R194-N218 WeakPolarHBondContact CA-OD1 3.31Å; R194-W219 HydrophobicContact CB-CD2 4.33Å; R194-W219 HydrophobicContact CB-CE3 4.31Å; R194-W219 HydrophobicContact CG-CD2 4.27Å; R194-W219 HydrophobicContact CG-CE3 4.39Å; R194-W219 HydrophobicContact CG-CH2 4.14Å; R194-W219 HydrophobicContact CG-CZ2 4Å; R194-W219 HydrophobicContact CG-CZ3 4.34Å; R194-G418 PolarHBondContact NH2-O 2.94Å; R194-Q420 PolarHBondContact NH2-O 2.87Å |
| 195 | W | 93.9 | Very high | 85.7 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.1 | 163.8 | -72.1 | 17.1 | 0 | 0 | 0 | 109.5 | Y130 F138 W150 P151 R189 Q193 L216 F217 N218 W219 | Y130-W195 HydrophobicContact CE2-CZ2 4.21Å; Y130-W195 AromaticContact CE2-NE1 3.78Å; Y130-W195 WeakPolarHBondContact OH-CZ2 3.35Å; F138-W195 HydrophobicContact CD2-CB 4.4Å; F138-W195 HydrophobicContact CE2-CB 3.89Å; F138-W195 AromaticContact CE2-CD2 3.64Å; F138-W195 HydrophobicContact CE2-CD2 3.64Å; F138-W195 AromaticContact CE2-CE3 3.9Å; F138-W195 HydrophobicContact CE2-CE3 3.9Å; F138-W195 AromaticContact CE2-CG 3.66Å; F138-W195 HydrophobicContact CE2-CG 3.66Å; F138-W195 AromaticContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CE3 4Å; F138-W195 HydrophobicContact CZ-CG 4.31Å; F138-W195 HydrophobicContact CZ-CH2 4.44Å; F138-W195 HydrophobicContact CZ-CZ2 4.32Å; F138-W195 HydrophobicContact CZ-CZ3 4.28Å; W150-W195 HydrophobicContact CE3-CH2 4.4Å; W150-W195 AromaticContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CZ3-CZ3 4.09Å; P151-W195 HydrophobicContact CB-CZ2 4.17Å; P151-W195 HydrophobicContact CG-CH2 4.04Å; P151-W195 HydrophobicContact CG-CZ2 3.72Å; R189-W195 HydrophobicContact CB-CZ2 4.48Å; Q193-W195 VanDerWaalsContact OE1-NE1 3.08Å; W195-L216 HydrophobicContact CE3-CD1 4.07Å; W195-L216 HydrophobicContact CE3-CG 4.29Å; W195-L216 HydrophobicContact CZ3-CD1 3.67Å; W195-L216 HydrophobicContact CZ3-CG 4.26Å; W195-F217 HydrophobicContact CB-CD1 4.01Å; W195-N218 PolarHBondContact N-OD1 3.26Å; W195-N218 PolarHBondContact O-N 2.77Å; W195-W219 PolarHBondContact O-N 2.88Å; W195-W219 VanDerWaalsContact O-N 3.16Å |
| 196 | V | 95.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.1 | -173.9 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | A135 V136 L137 F138 R194 W219 L221 I229 T410 | A135-V196 HydrophobicContact CB-CG2 4.27Å; V136-V196 PolarHBondContact O-N 3.21Å; L137-V196 HydrophobicContact CD1-CB 3.55Å; L137-V196 HydrophobicContact CD1-CG1 3.45Å; L137-V196 VanDerWaalsContact CD1-CG1 3.45Å; F138-V196 PolarHBondContact N-O 3.46Å; R194-V196 HydrophobicContact CB-CG2 4.39Å; V196-W219 WeakPolarHBondContact CA-O 3.38Å; V196-W219 HydrophobicContact CB-CB 4.46Å; V196-W219 HydrophobicContact CG1-CB 4.18Å; V196-W219 HydrophobicContact CG2-CB 4.13Å; V196-W219 HydrophobicContact CG2-CE3 4.07Å; V196-L221 HydrophobicContact CG1-CB 3.89Å; V196-I229 HydrophobicContact CG1-CD1 4Å; V196-T410 HydrophobicContact CG2-CG2 4.25Å |
| 197 | W | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 123.8 | 170.5 | 176.4 | 80.3 | 0 | 0 | 0 | 109.7 | H140 N199 T206 L209 F217 W219 T220 L221 L427 W430 F431 | H140-W197 HydrophobicContact CB-CZ2 4.14Å; H140-W197 AromaticContact CG-NE1 3.86Å; H140-W197 AromaticContact ND1-NE1 3.59Å; W197-N199 HydrophobicContact CD2-CB 4.34Å; W197-N199 HydrophobicContact CE3-CB 4.29Å; W197-N199 HydrophobicContact CH2-CB 3.27Å; W197-N199 HydrophobicContact CZ2-CB 3.23Å; W197-N199 HydrophobicContact CZ3-CB 3.77Å; W197-T206 HydrophobicContact CZ2-CG2 4.13Å; W197-L209 HydrophobicContact CZ2-CD2 3.72Å; W197-F217 HydrophobicContact CB-CB 4.16Å; W197-F217 HydrophobicContact CB-CD1 3.7Å; W197-F217 HydrophobicContact CB-CD2 3.85Å; W197-F217 HydrophobicContact CB-CE1 4.03Å; W197-F217 HydrophobicContact CB-CE2 4.16Å; W197-F217 HydrophobicContact CB-CG 3.61Å; W197-F217 HydrophobicContact CB-CZ 4.26Å; W197-F217 AromaticContact CD1-CE2 3.98Å; W197-F217 HydrophobicContact CG-CD2 4.4Å; W197-F217 HydrophobicContact CG-CE2 4.41Å; W197-W219 PolarHBondContact N-O 2.83Å; W197-T220 HydrophobicContact CE3-CG2 3.84Å; W197-T220 HydrophobicContact CZ3-CG2 4.42Å; W197-T220 CarbonylContact O-C 3.59Å; W197-T220 WeakPolarHBondContact O-CA 3.29Å; W197-L221 PolarHBondContact O-N 2.66Å; W197-L427 HydrophobicContact CB-CD2 4.25Å; W197-L427 HydrophobicContact CD2-CD1 3.89Å; W197-L427 HydrophobicContact CD2-CD2 3.72Å; W197-L427 HydrophobicContact CD2-CG 4.31Å; W197-L427 HydrophobicContact CE3-CD1 3.82Å; W197-L427 HydrophobicContact CE3-CD2 4.49Å; W197-L427 HydrophobicContact CG-CD1 4.23Å; W197-L427 HydrophobicContact CG-CD2 3.6Å; W197-L427 HydrophobicContact CZ2-CD2 4.42Å; W197-L427 HydrophobicContact CZ3-CD1 4.25Å; W197-W430 HydrophobicContact CE3-CZ3 4.22Å; W197-W430 HydrophobicContact CH2-CZ3 4.42Å; W197-W430 HydrophobicContact CZ3-CH2 4.29Å; W197-W430 AromaticContact CZ3-CZ3 3.65Å; W197-W430 HydrophobicContact CZ3-CZ3 3.65Å; W197-F431 AromaticContact CH2-CD1 3.95Å; W197-F431 HydrophobicContact CH2-CD1 3.95Å; W197-F431 AromaticContact CH2-CD2 3.72Å; W197-F431 HydrophobicContact CH2-CD2 3.72Å; W197-F431 AromaticContact CH2-CE1 3.98Å; W197-F431 HydrophobicContact CH2-CE1 3.98Å; W197-F431 AromaticContact CH2-CE2 3.79Å; W197-F431 HydrophobicContact CH2-CE2 3.79Å; W197-F431 AromaticContact CH2-CG 3.81Å; W197-F431 HydrophobicContact CH2-CG 3.81Å; W197-F431 AromaticContact CH2-CZ 3.91Å; W197-F431 HydrophobicContact CH2-CZ 3.91Å; W197-F431 AromaticContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CE2 4.11Å; W197-F431 HydrophobicContact CZ3-CG 4.43Å |
| 198 | M | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.6 | 179.2 | -172.2 | -176.1 | 77.8 | 0 | 0 | 111.4 | W96 L137 F138 H139 H140 F200 L221 W403 P406 | W96-M198 HydrophobicContact CH2-CE 3.11Å; W96-M198 HydrophobicContact CH2-SD 4Å; W96-M198 HydrophobicContact CZ2-CE 3.51Å; W96-M198 HydrophobicContact CZ3-CE 4.05Å; L137-M198 HydrophobicContact CD1-CB 3.87Å; L137-M198 HydrophobicContact CD2-SD 3.78Å; L137-M198 HydrophobicContact CG-CB 4.14Å; L137-M198 HydrophobicContact CG-SD 4.31Å; F138-M198 PolarHBondContact O-N 2.89Å; H139-M198 WeakPolarHBondContact CA-O 3.36Å; H139-M198 HydrophobicContact CB-CE 3.89Å; H139-M198 WeakPolarHBondContact CD2-CE 3.31Å; H140-M198 PolarHBondContact N-O 2.96Å; M198-F200 HydrophobicContact CG-CD2 4.11Å; M198-F200 HydrophobicContact CG-CE2 3.6Å; M198-F200 HydrophobicContact SD-CE2 3.94Å; M198-L221 WeakPolarHBondContact CA-O 3.12Å; M198-L221 HydrophobicContact CB-CB 4.24Å; M198-L221 HydrophobicContact CB-CD2 4.24Å; M198-L221 HydrophobicContact CB-CG 4.44Å; M198-L221 HydrophobicContact CG-CB 4.1Å; M198-L221 HydrophobicContact CG-CD2 3.64Å; M198-L221 HydrophobicContact CG-CG 3.79Å; M198-L221 HydrophobicContact SD-CD2 3.61Å; M198-L221 HydrophobicContact SD-CG 4.33Å; M198-W403 HydrophobicContact CE-CD2 4.47Å; M198-W403 HydrophobicContact CE-CE3 3.58Å; M198-W403 HydrophobicContact CE-CH2 4.07Å; M198-W403 HydrophobicContact CE-CZ3 3.34Å; M198-W403 HydrophobicContact SD-CE3 4.1Å; M198-W403 HydrophobicContact SD-CZ3 4.01Å; M198-P406 HydrophobicContact SD-CB 4.38Å |
| 199 | N | 95.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | trans | -156.4 | 139.6 | 173 | -173.2 | 44 | 0 | 0 | 0 | 111.5 | H140 W197 E201 T206 L221 S222 F431 | H140-N199 HydrophobicContact CB-CB 3.9Å; W197-N199 HydrophobicContact CD2-CB 4.34Å; W197-N199 HydrophobicContact CE3-CB 4.29Å; W197-N199 HydrophobicContact CH2-CB 3.27Å; W197-N199 HydrophobicContact CZ2-CB 3.23Å; W197-N199 HydrophobicContact CZ3-CB 3.77Å; N199-E201 PolarHBondContact ND2-O 2.79Å; N199-E201 PolarHBondContact OD1-N 3.23Å; N199-T206 VanDerWaalsContact ND2-CG2 3.3Å; N199-T206 WeakPolarHBondContact ND2-CG2 3.44Å; N199-T206 PolarHBondContact ND2-OG1 3.26Å; N199-L221 PolarHBondContact N-O 3.44Å; N199-S222 VanDerWaalsContact O-CA 3.29Å; N199-S222 WeakPolarHBondContact O-CA 3.39Å; N199-S222 WeakPolarHBondContact O-CB 3.09Å; N199-F431 WeakPolarHBondContact ND2-CE1 3.34Å; N199-F431 WeakPolarHBondContact ND2-CZ 3.41Å | ||
| 200 | F | 96.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | trans | -121.5 | -1.9 | 175.5 | -70.4 | -96.2 | 0 | 0 | 0 | 112.8 | M198 L221 Y223 V231 Y233 F402 W403 P406 | M198-F200 HydrophobicContact CG-CD2 4.11Å; M198-F200 HydrophobicContact CG-CE2 3.6Å; M198-F200 HydrophobicContact SD-CE2 3.94Å; F200-L221 HydrophobicContact CE2-CG 4.2Å; F200-L221 HydrophobicContact CZ-CD1 4.21Å; F200-L221 HydrophobicContact CZ-CG 4.12Å; F200-Y223 WeakPolarHBondContact O-CD1 3.16Å; F200-V231 HydrophobicContact CE1-CB 4.01Å; F200-V231 HydrophobicContact CE1-CG1 4.26Å; F200-V231 WeakPolarHBondContact CE1-O 3.42Å; F200-V231 HydrophobicContact CZ-CB 4.07Å; F200-V231 HydrophobicContact CZ-CG1 4.44Å; F200-Y233 HydrophobicContact CB-CE2 4.35Å; F200-Y233 HydrophobicContact CD1-CE2 4.45Å; F200-Y233 PolarHBondContact O-OH 2.73Å; F200-F402 AromaticContact CD1-CE1 3.34Å; F200-F402 HydrophobicContact CD1-CE1 3.34Å; F200-F402 AromaticContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD2-CE1 4.02Å; F200-F402 AromaticContact CE1-CE1 3.32Å; F200-F402 HydrophobicContact CE1-CE1 3.32Å; F200-F402 AromaticContact CE1-CZ 3.63Å; F200-F402 HydrophobicContact CE1-CZ 3.63Å; F200-F402 AromaticContact CE2-CE1 4Å; F200-F402 HydrophobicContact CE2-CE1 4Å; F200-F402 AromaticContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CZ 4.26Å; F200-F402 AromaticContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CZ 4.39Å; F200-W403 HydrophobicContact CD2-CH2 4.13Å; F200-W403 AromaticContact CD2-CZ3 3.53Å; F200-W403 HydrophobicContact CD2-CZ3 3.53Å; F200-W403 AromaticContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CG-CZ3 4.38Å; F200-P406 HydrophobicContact CE1-CG 4.46Å; F200-P406 HydrophobicContact CE2-CB 4.09Å; F200-P406 HydrophobicContact CE2-CG 4.12Å; F200-P406 HydrophobicContact CZ-CB 3.87Å; F200-P406 HydrophobicContact CZ-CG 3.74Å | ||
| 201 | E | 95.4 | Very high | 92.1 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -79.1 | 148.6 | 170.7 | -74.6 | -64.1 | 161.9 | 0 | 0 | 111.4 | N199 H205 T206 F431 | N199-E201 PolarHBondContact ND2-O 2.79Å; N199-E201 PolarHBondContact OD1-N 3.23Å; E201-H205 HydrophobicContact CB-CB 4.31Å; E201-T206 PolarHBondContact O-OG1 2.78Å; E201-F431 VanDerWaalsContact O-CZ 3.27Å; E201-F431 WeakPolarHBondContact O-CZ 3.31Å |
| 202 | S | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -59.6 | 158.4 | 173.4 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | S204 H205 T206 S319 | S202-S204 PolarHBondContact O-N 3.4Å; S202-H205 CarbonylContact O-C 3.53Å; S202-H205 WeakPolarHBondContact O-CA 3.42Å; S202-H205 PolarHBondContact O-N 3.34Å; S202-H205 PolarHBondContact OG-N 3.3Å; S202-H205 PolarHBondContact OG-ND1 3.46Å; S202-T206 WeakPolarHBondContact O-CB 3.33Å; S202-T206 PolarHBondContact O-N 2.76Å; S202-T206 PolarHBondContact O-OG1 2.94Å; S202-S319 WeakPolarHBondContact CB-OG 3.34Å; S202-S319 PolarHBondContact OG-OG 3.06Å | ||
| 203 | P | 95.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -51.2 | -40.1 | 172.9 | -29.3 | 32.2 | 0 | 0 | 0 | 114 | H205 T206 Y223 H321 F431 Q432 | P203-H205 PolarHBondContact O-N 3.37Å; P203-H205 VanDerWaalsContact O-N 3.16Å; P203-T206 PolarHBondContact O-N 3.03Å; P203-Y223 WeakPolarHBondContact CD-OH 3.37Å; P203-H321 HydrophobicContact CG-CB 4.4Å; P203-F431 HydrophobicContact CB-CD1 4.12Å; P203-F431 HydrophobicContact CB-CE1 4.19Å; P203-F431 HydrophobicContact CG-CD1 3.8Å; P203-F431 HydrophobicContact CG-CE1 3.72Å; P203-F431 HydrophobicContact CG-CG 4.39Å; P203-F431 HydrophobicContact CG-CZ 4.21Å; P203-F431 WeakPolarHBondContact CG-O 3.49Å; P203-Q432 HydrophobicContact CB-CG 4.43Å |
| 204 | S | 94.3 | Very high | 91.5 | Very high | 83 Ų | 83 | 42 Ų | 42 | 58% | 0.58 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -64.9 | -16.4 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 114.5 | S202 H321 | S202-S204 PolarHBondContact O-N 3.4Å; S204-H321 PolarHBondContact N-NE2 3.18Å; S204-H321 PolarHBondContact OG-NE2 2.84Å |
| 205 | H | 93.2 | Very high | 91.2 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -118.2 | 18.4 | -180 | -60.6 | 85.8 | 0 | 0 | 0 | 112 | E201 S202 P203 P207 N318 | E201-H205 HydrophobicContact CB-CB 4.31Å; S202-H205 CarbonylContact O-C 3.53Å; S202-H205 WeakPolarHBondContact O-CA 3.42Å; S202-H205 PolarHBondContact O-N 3.34Å; S202-H205 PolarHBondContact OG-N 3.3Å; S202-H205 PolarHBondContact OG-ND1 3.46Å; P203-H205 PolarHBondContact O-N 3.37Å; P203-H205 VanDerWaalsContact O-N 3.16Å; H205-P207 WeakPolarHBondContact O-CD 3.32Å; H205-N318 PolarHBondContact CE1-ND2 3.45Å; H205-N318 VanDerWaalsContact CE1-ND2 3.33Å; H205-N318 PolarHBondContact ND1-ND2 3.03Å |
| 206 | T | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | trans | -122.8 | 71.6 | -177.5 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | H140 W197 N199 E201 S202 P203 L209 F431 | H140-T206 WeakPolarHBondContact CD2-CG2 3.48Å; H140-T206 WeakPolarHBondContact NE2-CG2 3.48Å; W197-T206 HydrophobicContact CZ2-CG2 4.13Å; N199-T206 VanDerWaalsContact ND2-CG2 3.3Å; N199-T206 WeakPolarHBondContact ND2-CG2 3.44Å; N199-T206 PolarHBondContact ND2-OG1 3.26Å; E201-T206 PolarHBondContact O-OG1 2.78Å; S202-T206 WeakPolarHBondContact O-CB 3.33Å; S202-T206 PolarHBondContact O-N 2.76Å; S202-T206 PolarHBondContact O-OG1 2.94Å; P203-T206 PolarHBondContact O-N 3.03Å; T206-L209 HydrophobicContact CG2-CD1 3.61Å; T206-L209 HydrophobicContact CG2-CD2 4.08Å; T206-L209 HydrophobicContact CG2-CG 3.77Å; T206-F431 HydrophobicContact CG2-CD1 4.27Å; T206-F431 HydrophobicContact CG2-CE1 3.98Å | ||
| 207 | P | 90.6 | Very high | 90.7 | Very high | 89 Ų | 89 | 44.4 Ų | 44.4 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 161.9 | -177 | 32.3 | -36.6 | 0 | 0 | 0 | 112.2 | H140 H205 L209 | H140-P207 PolarHBondContact CE1-O 2.66Å; H140-P207 PolarHBondContact NE2-O 2.77Å; H205-P207 WeakPolarHBondContact O-CD 3.32Å; P207-L209 VanDerWaalsContact C-N 3.29Å; P207-L209 PolarHBondContact O-N 3.15Å |
| 208 | G | 88.4 | Confident | 90.5 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 46% | 0.464 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -0.6 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | R210 G211 | G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 3.47Å; G208-G211 PolarHBondContact O-N 2.86Å |
| 209 | L | 88.7 | Confident | 90.5 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -54.4 | -39 | 176.5 | -77.1 | 172.2 | 0 | 0 | 0 | 113.9 | W197 T206 P207 G211 L212 L427 A428 F431 Q432 | W197-L209 HydrophobicContact CZ2-CD2 3.72Å; T206-L209 HydrophobicContact CG2-CD1 3.61Å; T206-L209 HydrophobicContact CG2-CD2 4.08Å; T206-L209 HydrophobicContact CG2-CG 3.77Å; P207-L209 VanDerWaalsContact C-N 3.29Å; P207-L209 PolarHBondContact O-N 3.15Å; L209-G211 PolarHBondContact O-N 3.25Å; L209-L212 HydrophobicContact CD2-CD1 4.14Å; L209-L212 WeakPolarHBondContact O-CB 3.43Å; L209-L212 PolarHBondContact O-N 2.89Å; L209-L427 HydrophobicContact CD2-CD2 3.83Å; L209-L427 HydrophobicContact CD2-CG 4.13Å; L209-A428 HydrophobicContact CB-CB 3.84Å; L209-F431 HydrophobicContact CD1-CB 4.15Å; L209-F431 HydrophobicContact CD1-CD1 3.62Å; L209-F431 HydrophobicContact CD1-CG 4.3Å; L209-Q432 HydrophobicContact CD1-CG 4.3Å |
| 210 | R | 87.5 | Confident | 90.5 | Very high | 191 Ų | 191 | 45.8 Ų | 45.8 | 72% | 0.721 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -69.1 | -16.7 | -179.9 | -66.4 | -179.1 | -179.1 | -118.2 | -5 | 113.5 | G208 L212 A428 Q432 | G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 3.47Å; R210-L212 VanDerWaalsContact C-N 3.34Å; R210-A428 HydrophobicContact CG-CB 3.76Å; R210-Q432 VanDerWaalsContact NH2-OE1 3.16Å |
| 211 | G | 85.1 | Confident | 90.6 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 75% | 0.753 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -85.1 | -7.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G208 L209 | G208-G211 PolarHBondContact O-N 2.86Å; L209-G211 PolarHBondContact O-N 3.25Å |
| 212 | L | 85.3 | Confident | 90.7 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -80.4 | 139.5 | 176.2 | -61.6 | 172.3 | 0 | 0 | 0 | 110 | L143 W150 L209 R210 F217 L427 | L143-L212 HydrophobicContact CB-CD2 4.32Å; L143-L212 HydrophobicContact CD1-CD1 4.39Å; L143-L212 HydrophobicContact CD1-CD2 4.41Å; W150-L212 HydrophobicContact CH2-CD2 4.13Å; W150-L212 HydrophobicContact CZ2-CD2 3.94Å; L209-L212 HydrophobicContact CD2-CD1 4.14Å; L209-L212 WeakPolarHBondContact O-CB 3.43Å; L209-L212 PolarHBondContact O-N 2.89Å; R210-L212 VanDerWaalsContact C-N 3.34Å; L212-F217 HydrophobicContact CD1-CE2 4.27Å; L212-L427 HydrophobicContact CD1-CD2 3.87Å |
| 213 | A | 79.3 | Confident | 90.8 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -59.3 | 148 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L216 | A213-L216 HydrophobicContact CB-CB 4.38Å; A213-L216 HydrophobicContact CB-CD2 4.48Å; A213-L216 WeakPolarHBondContact O-CB 3.39Å |
| 214 | K | 84.7 | Confident | 90.8 | Very high | 130 Ų | 130 | 41.8 Ų | 41.8 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 150.1 | 171.8 | -66.6 | -173.1 | 178.6 | -172.4 | 0 | 110.4 | L216 H425 | K214-L216 PolarHBondContact O-N 3.28Å; K214-H425 VanDerWaalsContact CA-O 3.25Å; K214-H425 WeakPolarHBondContact CA-O 3.35Å; K214-H425 WeakPolarHBondContact CB-O 3.44Å; K214-H425 WeakPolarHBondContact CG-O 3.37Å |
| 215 | D | 86.1 | Confident | 90.9 | Very high | 58 Ų | 58 | 40 Ų | 40 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11 | 176.2 | -64.3 | -67.7 | 0 | 0 | 0 | 115.6 | F217 S423 I424 H425 | D215-F217 PolarHBondContact O-N 2.8Å; D215-S423 WeakPolarHBondContact OD1-CB 3.5Å; D215-S423 PolarHBondContact OD1-OG 3.31Å; D215-I424 WeakPolarHBondContact CA-O 3.34Å; D215-I424 PolarHBondContact N-O 3.29Å; D215-H425 PolarHBondContact N-O 2.76Å; D215-H425 VanDerWaalsContact OD1-CA 3.27Å; D215-H425 WeakPolarHBondContact OD1-CA 3.16Å; D215-H425 IonicContact OD1-ND1 3.72Å; D215-H425 IonicContact OD2-CE1 3.6Å; D215-H425 IonicContact OD2-CG 3.89Å; D215-H425 IonicContact OD2-ND1 2.83Å; D215-H425 PolarHBondContact OD2-ND1 3.37Å |
| 216 | L | 86.9 | Confident | 91 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | trans | -63.8 | -43.9 | -176.7 | -173.8 | 60.8 | 0 | 0 | 0 | 112.2 | W150 R189 W195 A213 K214 | W150-L216 HydrophobicContact CH2-CD2 3.54Å; W150-L216 HydrophobicContact CZ2-CD2 3.96Å; W150-L216 HydrophobicContact CZ3-CD2 4.06Å; R189-L216 PolarHBondContact NH1-O 3.25Å; W195-L216 HydrophobicContact CE3-CD1 4.07Å; W195-L216 HydrophobicContact CE3-CG 4.29Å; W195-L216 HydrophobicContact CZ3-CD1 3.67Å; W195-L216 HydrophobicContact CZ3-CG 4.26Å; A213-L216 HydrophobicContact CB-CB 4.38Å; A213-L216 HydrophobicContact CB-CD2 4.48Å; A213-L216 WeakPolarHBondContact O-CB 3.39Å; K214-L216 PolarHBondContact O-N 3.28Å | ||
| 217 | F | 91.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | trans | -100.1 | 141.6 | -178.6 | -65.2 | -75.7 | 0 | 0 | 0 | 111.7 | F138 L143 W150 W195 W197 L212 D215 I424 L427 | F138-F217 HydrophobicContact CB-CE1 3.87Å; F138-F217 HydrophobicContact CB-CZ 4.28Å; F138-F217 HydrophobicContact CD2-CD1 4.36Å; F138-F217 AromaticContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CE2-CE1 4.34Å; F138-F217 AromaticContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CZ 4.48Å; L143-F217 HydrophobicContact CD1-CE2 4.09Å; L143-F217 HydrophobicContact CD1-CZ 3.53Å; W150-F217 HydrophobicContact CH2-CE2 4.41Å; W150-F217 AromaticContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CZ3-CE1 4.49Å; W150-F217 AromaticContact CZ3-CZ 3.94Å; W150-F217 HydrophobicContact CZ3-CZ 3.94Å; W195-F217 HydrophobicContact CB-CD1 4.01Å; W197-F217 HydrophobicContact CB-CB 4.16Å; W197-F217 HydrophobicContact CB-CD1 3.7Å; W197-F217 HydrophobicContact CB-CD2 3.85Å; W197-F217 HydrophobicContact CB-CE1 4.03Å; W197-F217 HydrophobicContact CB-CE2 4.16Å; W197-F217 HydrophobicContact CB-CG 3.61Å; W197-F217 HydrophobicContact CB-CZ 4.26Å; W197-F217 AromaticContact CD1-CE2 3.98Å; W197-F217 HydrophobicContact CG-CD2 4.4Å; W197-F217 HydrophobicContact CG-CE2 4.41Å; L212-F217 HydrophobicContact CD1-CE2 4.27Å; D215-F217 PolarHBondContact O-N 2.8Å; F217-I424 HydrophobicContact CB-CD1 4.13Å; F217-I424 PolarHBondContact O-N 2.78Å; F217-L427 HydrophobicContact CD2-CD2 4Å; F217-L427 HydrophobicContact CE2-CD2 4.27Å | ||
| 218 | N | 91.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -79.6 | -47.2 | 169.4 | -58.5 | 103.9 | 0 | 0 | 0 | 110.5 | R189 Q193 R194 W195 K422 | R189-N218 VanDerWaalsContact CZ-CG 3.46Å; R189-N218 PolarHBondContact NE-OD1 3.23Å; R189-N218 PolarHBondContact NH1-OD1 2.6Å; R189-N218 PolarHBondContact NH2-ND2 3.5Å; R189-N218 PolarHBondContact NH2-OD1 3.02Å; Q193-N218 PolarHBondContact O-OD1 2.87Å; R194-N218 WeakPolarHBondContact CA-OD1 3.31Å; W195-N218 PolarHBondContact N-OD1 3.26Å; W195-N218 PolarHBondContact O-N 2.77Å; N218-K422 VanDerWaalsContact CA-O 3.27Å; N218-K422 WeakPolarHBondContact CA-O 3.36Å; N218-K422 WeakPolarHBondContact CB-O 3.37Å; N218-K422 PolarHBondContact ND2-O 2.77Å |
| 219 | W | 95.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159 | -166.9 | -68.2 | -10.6 | 0 | 0 | 0 | 112.9 | R194 W195 V196 W197 D228 I229 A413 V414 S417 | R194-W219 HydrophobicContact CB-CD2 4.33Å; R194-W219 HydrophobicContact CB-CE3 4.31Å; R194-W219 HydrophobicContact CG-CD2 4.27Å; R194-W219 HydrophobicContact CG-CE3 4.39Å; R194-W219 HydrophobicContact CG-CH2 4.14Å; R194-W219 HydrophobicContact CG-CZ2 4Å; R194-W219 HydrophobicContact CG-CZ3 4.34Å; W195-W219 PolarHBondContact O-N 2.88Å; W195-W219 VanDerWaalsContact O-N 3.16Å; V196-W219 WeakPolarHBondContact CA-O 3.38Å; V196-W219 HydrophobicContact CB-CB 4.46Å; V196-W219 HydrophobicContact CG1-CB 4.18Å; V196-W219 HydrophobicContact CG2-CB 4.13Å; V196-W219 HydrophobicContact CG2-CE3 4.07Å; W197-W219 PolarHBondContact N-O 2.83Å; W219-D228 VanDerWaalsContact CA-OD2 3.22Å; W219-D228 WeakPolarHBondContact CA-OD2 3.29Å; W219-D228 HydrophobicContact CB-CB 3.8Å; W219-D228 HydrophobicContact CD2-CB 4.44Å; W219-D228 HydrophobicContact CG-CB 3.89Å; W219-I229 HydrophobicContact CE3-CD1 4.09Å; W219-I229 HydrophobicContact CE3-CG1 4.49Å; W219-A413 HydrophobicContact CZ3-CB 4.03Å; W219-V414 HydrophobicContact CH2-CG2 4.15Å; W219-V414 HydrophobicContact CZ3-CB 4.45Å; W219-V414 HydrophobicContact CZ3-CG2 3.64Å; W219-S417 VanDerWaalsContact CH2-CB 3.44Å; W219-S417 WeakPolarHBondContact CH2-OG 3.26Å |
| 220 | T | 96.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.4 | 174.5 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | W197 S227 D228 I229 I424 L427 W430 | W197-T220 HydrophobicContact CE3-CG2 3.84Å; W197-T220 HydrophobicContact CZ3-CG2 4.42Å; W197-T220 CarbonylContact O-C 3.59Å; W197-T220 WeakPolarHBondContact O-CA 3.29Å; T220-S227 WeakPolarHBondContact OG1-CA 3.08Å; T220-D228 PolarHBondContact N-OD2 2.9Å; T220-D228 PolarHBondContact O-N 2.96Å; T220-D228 PolarHBondContact OG1-N 3.24Å; T220-D228 VanDerWaalsContact OG1-N 3.11Å; T220-D228 PolarHBondContact OG1-OD2 2.83Å; T220-I229 PolarHBondContact O-N 3.31Å; T220-I424 HydrophobicContact CG2-CD1 3.29Å; T220-I424 HydrophobicContact CG2-CG1 4.46Å; T220-L427 HydrophobicContact CG2-CD1 3.8Å; T220-W430 HydrophobicContact CG2-CE3 4Å; T220-W430 HydrophobicContact CG2-CH2 3.67Å; T220-W430 HydrophobicContact CG2-CZ2 4.39Å; T220-W430 HydrophobicContact CG2-CZ3 3.44Å; T220-W430 VanDerWaalsContact CG2-CZ3 3.44Å |
| 221 | L | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 105.3 | 170.3 | 171.8 | 62.7 | 0 | 0 | 0 | 108.5 | L137 V196 W197 M198 N199 F200 I229 V231 P406 T410 | L137-L221 HydrophobicContact CD1-CD2 3.82Å; L137-L221 HydrophobicContact CD2-CD2 4.17Å; V196-L221 HydrophobicContact CG1-CB 3.89Å; W197-L221 PolarHBondContact O-N 2.66Å; M198-L221 WeakPolarHBondContact CA-O 3.12Å; M198-L221 HydrophobicContact CB-CB 4.24Å; M198-L221 HydrophobicContact CB-CD2 4.24Å; M198-L221 HydrophobicContact CB-CG 4.44Å; M198-L221 HydrophobicContact CG-CB 4.1Å; M198-L221 HydrophobicContact CG-CD2 3.64Å; M198-L221 HydrophobicContact CG-CG 3.79Å; M198-L221 HydrophobicContact SD-CD2 3.61Å; M198-L221 HydrophobicContact SD-CG 4.33Å; N199-L221 PolarHBondContact N-O 3.44Å; F200-L221 HydrophobicContact CE2-CG 4.2Å; F200-L221 HydrophobicContact CZ-CD1 4.21Å; F200-L221 HydrophobicContact CZ-CG 4.12Å; L221-I229 WeakPolarHBondContact CA-O 3.41Å; L221-I229 HydrophobicContact CB-CB 4.21Å; L221-I229 HydrophobicContact CB-CD1 4.34Å; L221-I229 HydrophobicContact CD1-CB 3.6Å; L221-I229 HydrophobicContact CD1-CG2 3.45Å; L221-I229 VanDerWaalsContact CD1-CG2 3.45Å; L221-I229 WeakPolarHBondContact CD1-O 3.41Å; L221-I229 HydrophobicContact CG-CB 4.47Å; L221-V231 HydrophobicContact CD1-CB 4.3Å; L221-V231 HydrophobicContact CD1-CG2 3.66Å; L221-P406 HydrophobicContact CD1-CB 4.25Å; L221-P406 HydrophobicContact CD2-CB 3.86Å; L221-P406 HydrophobicContact CG-CB 4.38Å; L221-T410 WeakPolarHBondContact CD2-OG1 3.36Å |
| 222 | S | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | -179.7 | -177.9 | 89.1 | 0 | 0 | 0 | 0 | 113 | N199 R224 S227 I229 V231 | N199-S222 VanDerWaalsContact O-CA 3.29Å; N199-S222 WeakPolarHBondContact O-CA 3.39Å; N199-S222 WeakPolarHBondContact O-CB 3.09Å; S222-R224 VanDerWaalsContact C-N 3.27Å; S222-R224 PolarHBondContact O-N 3.47Å; S222-R224 PolarHBondContact OG-N 2.78Å; S222-S227 PolarHBondContact OG-OG 2.8Å; S222-I229 PolarHBondContact N-O 3.08Å; S222-V231 PolarHBondContact O-N 3.13Å |
| 223 | Y | 97.4 | Very high | 94 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -75.5 | -9.4 | 172.3 | 69.1 | -98.9 | 0 | 0 | 0 | 113.7 | F200 P203 F230 V231 Y233 V322 D323 Y324 F431 | F200-Y223 WeakPolarHBondContact O-CD1 3.16Å; P203-Y223 WeakPolarHBondContact CD-OH 3.37Å; Y223-F230 WeakPolarHBondContact O-CD2 3.34Å; Y223-F230 WeakPolarHBondContact O-CE2 3.45Å; Y223-V231 WeakPolarHBondContact CA-O 3.43Å; Y223-Y233 HydrophobicContact CD1-CE2 4.5Å; Y223-V322 WeakPolarHBondContact CE2-O 3.03Å; Y223-D323 HydrophobicContact CD2-CB 4.28Å; Y223-D323 WeakPolarHBondContact CD2-O 3.31Å; Y223-Y324 AromaticContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CE2 4.29Å; Y223-Y324 HydrophobicContact CD2-CD2 4.12Å; Y223-Y324 AromaticContact CE1-CD2 3.41Å; Y223-Y324 HydrophobicContact CE1-CD2 3.41Å; Y223-Y324 VanDerWaalsContact CE1-CD2 3.41Å; Y223-Y324 AromaticContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CG 4.41Å; Y223-Y324 AromaticContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CG 4.13Å; Y223-Y324 HydrophobicContact CG-CD2 4.17Å; Y223-Y324 AromaticContact CZ-CD2 3.38Å; Y223-Y324 AromaticContact CZ-CG 3.96Å; Y223-F431 HydrophobicContact CE1-CE2 4.49Å; Y223-F431 HydrophobicContact CE1-CZ 4.14Å |
| 224 | R | 96.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 5% | 0.045 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -76.6 | 136.7 | 179.5 | -70.8 | 179.9 | 54.4 | 153.6 | -9 | 111.2 | S222 D226 S227 F230 W430 F431 | S222-R224 VanDerWaalsContact C-N 3.27Å; S222-R224 PolarHBondContact O-N 3.47Å; S222-R224 PolarHBondContact OG-N 2.78Å; R224-D226 VanDerWaalsContact CB-OD1 3.29Å; R224-D226 WeakPolarHBondContact CB-OD1 3.49Å; R224-D226 IonicContact CZ-OD1 3.92Å; R224-D226 IonicContact CZ-OD2 2.96Å; R224-D226 IonicContact NE-OD1 3.52Å; R224-D226 PolarHBondContact NE-OD1 3.14Å; R224-D226 IonicContact NE-OD2 3.07Å; R224-D226 IonicContact NH2-OD1 3.87Å; R224-D226 PolarHBondContact NH2-OD1 2.76Å; R224-D226 IonicContact NH2-OD2 3.72Å; R224-D226 PolarHBondContact NH2-OD2 3.5Å; R224-D226 PolarHBondContact O-N 3.19Å; R224-S227 WeakPolarHBondContact O-CB 3.34Å; R224-S227 PolarHBondContact O-N 2.64Å; R224-S227 VanDerWaalsContact O-N 3.09Å; R224-S227 PolarHBondContact O-OG 2.98Å; R224-F230 WeakPolarHBondContact O-CD2 3.13Å; R224-W430 HydrophobicContact CB-CZ2 4.33Å; R224-W430 PolarHBondContact NH1-O 3.14Å; R224-W430 PolarHBondContact NH2-O 3.45Å; R224-F431 HydrophobicContact CG-CE2 4.29Å; R224-F431 PolarHBondContact NH1-O 3.48Å |
| 225 | T | 96.6 | Very high | 95.3 | Very high | 46 Ų | 46 | 25.2 Ų | 25.2 | 28% | 0.282 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.7 | -177.7 | 51.9 | 0 | 0 | 0 | 0 | 114 | F230 D323 R352 F353 | T225-F230 HydrophobicContact CG2-CD2 4.27Å; T225-F230 HydrophobicContact CG2-CE1 4.22Å; T225-F230 HydrophobicContact CG2-CE2 3.84Å; T225-F230 HydrophobicContact CG2-CZ 3.81Å; T225-D323 VanDerWaalsContact CB-OD2 3.31Å; T225-D323 WeakPolarHBondContact CB-OD2 3.25Å; T225-D323 WeakPolarHBondContact CG2-OD2 3.44Å; T225-D323 PolarHBondContact N-OD2 2.95Å; T225-D323 PolarHBondContact OG1-OD2 2.78Å; T225-R352 PolarHBondContact OG1-NH2 3.02Å; T225-F353 HydrophobicContact CG2-CE1 3.54Å; T225-F353 HydrophobicContact CG2-CZ 3.47Å; T225-F353 VanDerWaalsContact CG2-CZ 3.47Å |
| 226 | D | 95 | Very high | 95.7 | Very high | 79 Ų | 79 | 24 Ų | 24 | 42% | 0.422 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 13.3 | 177 | 69 | -26.2 | 0 | 0 | 0 | 113.6 | R224 W430 | R224-D226 VanDerWaalsContact CB-OD1 3.29Å; R224-D226 WeakPolarHBondContact CB-OD1 3.49Å; R224-D226 IonicContact CZ-OD1 3.92Å; R224-D226 IonicContact CZ-OD2 2.96Å; R224-D226 IonicContact NE-OD1 3.52Å; R224-D226 PolarHBondContact NE-OD1 3.14Å; R224-D226 IonicContact NE-OD2 3.07Å; R224-D226 IonicContact NH2-OD1 3.87Å; R224-D226 PolarHBondContact NH2-OD1 2.76Å; R224-D226 IonicContact NH2-OD2 3.72Å; R224-D226 PolarHBondContact NH2-OD2 3.5Å; R224-D226 PolarHBondContact O-N 3.19Å; D226-W430 PolarHBondContact OD2-NE1 3.02Å |
| 227 | S | 96.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -74.7 | 153.3 | 170.2 | -48 | 0 | 0 | 0 | 0 | 111.1 | T220 S222 R224 I229 | T220-S227 WeakPolarHBondContact OG1-CA 3.08Å; S222-S227 PolarHBondContact OG-OG 2.8Å; R224-S227 WeakPolarHBondContact O-CB 3.34Å; R224-S227 PolarHBondContact O-N 2.64Å; R224-S227 VanDerWaalsContact O-N 3.09Å; R224-S227 PolarHBondContact O-OG 2.98Å; S227-I229 PolarHBondContact O-N 2.8Å |
| 228 | D | 95.6 | Very high | 95.9 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -59.4 | -37 | 172 | -62.4 | -81.5 | 0 | 0 | 0 | 112.1 | W219 T220 K422 | W219-D228 VanDerWaalsContact CA-OD2 3.22Å; W219-D228 WeakPolarHBondContact CA-OD2 3.29Å; W219-D228 HydrophobicContact CB-CB 3.8Å; W219-D228 HydrophobicContact CD2-CB 4.44Å; W219-D228 HydrophobicContact CG-CB 3.89Å; T220-D228 PolarHBondContact N-OD2 2.9Å; T220-D228 PolarHBondContact O-N 2.96Å; T220-D228 PolarHBondContact OG1-N 3.24Å; T220-D228 VanDerWaalsContact OG1-N 3.11Å; T220-D228 PolarHBondContact OG1-OD2 2.83Å; D228-K422 WeakPolarHBondContact OD1-CD 3.43Å; D228-K422 WeakPolarHBondContact OD1-CE 3.14Å; D228-K422 IonicContact OD1-NZ 2.62Å; D228-K422 PolarHBondContact OD1-NZ 2.99Å; D228-K422 IonicContact OD2-NZ 3.73Å |
| 229 | I | 97.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 95.9 | 175.1 | -45.2 | 165.4 | 0 | 0 | 0 | 107 | V196 W219 T220 L221 S222 S227 V231 Q409 T410 A413 | V196-I229 HydrophobicContact CG1-CD1 4Å; W219-I229 HydrophobicContact CE3-CD1 4.09Å; W219-I229 HydrophobicContact CE3-CG1 4.49Å; T220-I229 PolarHBondContact O-N 3.31Å; L221-I229 WeakPolarHBondContact CA-O 3.41Å; L221-I229 HydrophobicContact CB-CB 4.21Å; L221-I229 HydrophobicContact CB-CD1 4.34Å; L221-I229 HydrophobicContact CD1-CB 3.6Å; L221-I229 HydrophobicContact CD1-CG2 3.45Å; L221-I229 VanDerWaalsContact CD1-CG2 3.45Å; L221-I229 WeakPolarHBondContact CD1-O 3.41Å; L221-I229 HydrophobicContact CG-CB 4.47Å; S222-I229 PolarHBondContact N-O 3.08Å; S227-I229 PolarHBondContact O-N 2.8Å; I229-V231 HydrophobicContact CG2-CG2 4.25Å; I229-Q409 HydrophobicContact CG2-CB 4.02Å; I229-T410 HydrophobicContact CD1-CG2 3.94Å; I229-A413 HydrophobicContact CD1-CB 3.88Å; I229-A413 HydrophobicContact CG1-CB 3.61Å; I229-A413 HydrophobicContact CG2-CB 4.44Å |
| 230 | F | 97.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.1 | 176.9 | 166.7 | -121.3 | 0 | 0 | 0 | 110.4 | Y223 R224 T225 P232 F353 | Y223-F230 WeakPolarHBondContact O-CD2 3.34Å; Y223-F230 WeakPolarHBondContact O-CE2 3.45Å; R224-F230 WeakPolarHBondContact O-CD2 3.13Å; T225-F230 HydrophobicContact CG2-CD2 4.27Å; T225-F230 HydrophobicContact CG2-CE1 4.22Å; T225-F230 HydrophobicContact CG2-CE2 3.84Å; T225-F230 HydrophobicContact CG2-CZ 3.81Å; F230-P232 HydrophobicContact CE1-CG 4.13Å; F230-P232 HydrophobicContact CE2-CB 3.84Å; F230-P232 HydrophobicContact CE2-CG 4.16Å; F230-P232 HydrophobicContact CZ-CB 3.68Å; F230-P232 HydrophobicContact CZ-CG 3.66Å; F230-F353 AromaticContact CZ-CE1 3.87Å; F230-F353 HydrophobicContact CZ-CE1 3.87Å |
| 231 | V | 98 | Very high | 93.2 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | trans | -131.9 | 105.8 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | F200 L221 S222 Y223 I229 T400 P406 Q409 | F200-V231 HydrophobicContact CE1-CB 4.01Å; F200-V231 HydrophobicContact CE1-CG1 4.26Å; F200-V231 WeakPolarHBondContact CE1-O 3.42Å; F200-V231 HydrophobicContact CZ-CB 4.07Å; F200-V231 HydrophobicContact CZ-CG1 4.44Å; L221-V231 HydrophobicContact CD1-CB 4.3Å; L221-V231 HydrophobicContact CD1-CG2 3.66Å; S222-V231 PolarHBondContact O-N 3.13Å; Y223-V231 WeakPolarHBondContact CA-O 3.43Å; I229-V231 HydrophobicContact CG2-CG2 4.25Å; V231-T400 HydrophobicContact CG1-CG2 3.54Å; V231-P406 HydrophobicContact CG1-CG 4.06Å; V231-Q409 HydrophobicContact CG2-CB 4.05Å; V231-Q409 HydrophobicContact CG2-CG 4.06Å | ||
| 232 | P | 97.6 | Very high | 91.3 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | trans | -77 | 173.3 | 176.7 | 31.5 | -34.1 | 0 | 0 | 0 | 111.1 | F230 G234 F235 T400 | F230-P232 HydrophobicContact CE1-CG 4.13Å; F230-P232 HydrophobicContact CE2-CB 3.84Å; F230-P232 HydrophobicContact CE2-CG 4.16Å; F230-P232 HydrophobicContact CZ-CB 3.68Å; F230-P232 HydrophobicContact CZ-CG 3.66Å; P232-G234 WeakPolarHBondContact CB-O 3.45Å; P232-G234 WeakPolarHBondContact CG-O 3.4Å; P232-G234 PolarHBondContact O-N 3.06Å; P232-F235 HydrophobicContact CG-CB 4.33Å; P232-F235 HydrophobicContact CG-CD1 4.21Å; P232-T400 VanDerWaalsContact O-CB 3.3Å; P232-T400 WeakPolarHBondContact O-CB 3.47Å; P232-T400 PolarHBondContact O-OG1 3.1Å | ||
| 233 | Y | 98 | Very high | 89.4 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -71.3 | -17.7 | 172.9 | -79.4 | -104.3 | 0 | 0 | 0 | 114 | F200 Y223 Y324 T326 T400 F402 | F200-Y233 HydrophobicContact CB-CE2 4.35Å; F200-Y233 HydrophobicContact CD1-CE2 4.45Å; F200-Y233 PolarHBondContact O-OH 2.73Å; Y223-Y233 HydrophobicContact CD1-CE2 4.5Å; Y233-Y324 HydrophobicContact CE2-CE2 4.42Å; Y233-T326 HydrophobicContact CD2-CG2 4.13Å; Y233-T326 HydrophobicContact CE1-CG2 4.44Å; Y233-T326 HydrophobicContact CE2-CG2 3.91Å; Y233-T326 HydrophobicContact CG-CG2 4.5Å; Y233-T400 PolarHBondContact O-N 2.88Å; Y233-F402 AromaticContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CZ 4.4Å; Y233-F402 HydrophobicContact CE1-CE2 4.29Å; Y233-F402 HydrophobicContact CG-CE2 4.13Å; Y233-F402 HydrophobicContact CG-CZ 4.43Å |
| 234 | G | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 168.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P232 W330 H398 | P232-G234 WeakPolarHBondContact CB-O 3.45Å; P232-G234 WeakPolarHBondContact CG-O 3.4Å; P232-G234 PolarHBondContact O-N 3.06Å; G234-W330 WeakPolarHBondContact O-CZ2 2.97Å; G234-W330 PolarHBondContact O-NE1 2.94Å; G234-H398 CarbonylContact C-O 3.47Å; G234-H398 WeakPolarHBondContact CA-O 3.25Å |
| 235 | F | 96.3 | Very high | 85.9 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 162.3 | 176.4 | 58.8 | -93.8 | 0 | 0 | 0 | 111.3 | P232 H398 | P232-F235 HydrophobicContact CG-CB 4.33Å; P232-F235 HydrophobicContact CG-CD1 4.21Å; F235-H398 HydrophobicContact CD1-CB 4.13Å; F235-H398 AromaticContact CD1-CD2 3.73Å; F235-H398 HydrophobicContact CD2-CB 4.06Å; F235-H398 HydrophobicContact CE1-CB 3.85Å; F235-H398 AromaticContact CE1-CD2 3.06Å; F235-H398 WeakPolarHBondContact CE1-CD2 3.33Å; F235-H398 AromaticContact CE1-CG 3.59Å; F235-H398 AromaticContact CE1-NE2 3.83Å; F235-H398 HydrophobicContact CE2-CB 3.74Å; F235-H398 HydrophobicContact CG-CB 4.23Å; F235-H398 HydrophobicContact CZ-CB 3.62Å; F235-H398 AromaticContact CZ-CD2 3.49Å; F235-H398 VanDerWaalsContact CZ-CD2 3.49Å; F235-H398 WeakPolarHBondContact CZ-CD2 3.43Å; F235-H398 AromaticContact CZ-CG 3.53Å; F235-H398 PolarHBondContact N-O 2.88Å; F235-H398 VanDerWaalsContact N-O 3.12Å; F235-H398 PolarHBondContact O-N 2.97Å |
| 236 | L | 94.3 | Very high | 84.2 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.9 | 171.7 | -62 | -175.5 | 0 | 0 | 0 | 110.2 | W330 F334 V354 P355 W391 Y395 A396 V397 | L236-W330 HydrophobicContact CD2-CZ3 3.96Å; L236-W330 HydrophobicContact CG-CH2 4.44Å; L236-W330 HydrophobicContact CG-CZ3 3.96Å; L236-F334 HydrophobicContact CD2-CD2 4.47Å; L236-F334 HydrophobicContact CD2-CE2 4.35Å; L236-V354 HydrophobicContact CD1-CB 4.36Å; L236-V354 HydrophobicContact CD1-CG1 4.2Å; L236-V354 HydrophobicContact CG-CG1 4.43Å; L236-P355 VanDerWaalsContact CD1-CD 3.46Å; L236-P355 HydrophobicContact CD1-CG 4.34Å; L236-W391 HydrophobicContact CD1-CE3 4.3Å; L236-W391 HydrophobicContact CD2-CE3 4.07Å; L236-W391 HydrophobicContact CD2-CH2 4.24Å; L236-W391 HydrophobicContact CD2-CZ3 3.57Å; L236-Y395 HydrophobicContact CB-CD1 4.19Å; L236-Y395 HydrophobicContact CB-CG 4.32Å; L236-Y395 HydrophobicContact CD1-CG 4.4Å; L236-A396 VanDerWaalsContact CA-O 3.29Å; L236-A396 WeakPolarHBondContact CA-O 3.33Å; L236-V397 HydrophobicContact CD2-CG2 3.77Å |
| 237 | Y | 91.4 | Very high | 82.5 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.6 | 169.6 | 66.5 | -88.6 | 0 | 0 | 0 | 110.4 | Y395 A396 H398 | Y237-Y395 VanDerWaalsContact O-CA 3.31Å; Y237-Y395 WeakPolarHBondContact O-CA 3.49Å; Y237-A396 HydrophobicContact CD1-CB 4.03Å; Y237-A396 HydrophobicContact CD2-CB 4.06Å; Y237-A396 HydrophobicContact CE1-CB 3.51Å; Y237-A396 HydrophobicContact CE2-CB 3.52Å; Y237-A396 HydrophobicContact CG-CB 4.29Å; Y237-A396 PolarHBondContact N-O 3.01Å; Y237-A396 PolarHBondContact O-N 2.97Å; Y237-A396 WeakPolarHBondContact OH-CB 3.38Å; Y237-H398 HydrophobicContact CD1-CB 4.05Å; Y237-H398 HydrophobicContact CE1-CB 4.21Å |
| 238 | P | 90.4 | Very high | 80.7 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 58% | 0.584 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.4 | 179.4 | 27.4 | -34.1 | 0 | 0 | 0 | 110.3 | S394 | P238-S394 WeakPolarHBondContact CA-O 3.45Å |
| 239 | R | 83.9 | Confident | 79 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 18% | 0.181 | 37% | 0.365 | C | S | . | . | trans | -79.2 | 125.7 | 173.4 | -68.9 | 178.7 | 66.7 | -147.7 | -5.8 | 109.1 | H241 P242 E244 R392 S394 A396 | R239-H241 PolarHBondContact NH2-O 3.38Å; R239-P242 PolarHBondContact NH2-O 3.17Å; R239-E244 PolarHBondContact NE-O 2.96Å; R239-E244 PolarHBondContact NH2-O 3.27Å; R239-R392 PolarHBondContact NH1-O 2.94Å; R239-R392 VanDerWaalsContact NH1-O 3.15Å; R239-S394 PolarHBondContact N-O 2.85Å; R239-A396 HydrophobicContact CG-CB 3.86Å | ||
| 240 | S | 75.1 | Confident | 77.5 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 69% | 0.692 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -74.3 | -32.3 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 241 | H | 68 | Low | 76 | Confident | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.616 | 38% | 0.384 | S | S | * | . | trans | -139.9 | 140.5 | 177.5 | -73.5 | -63.8 | 0 | 0 | 0 | 114.4 | R239 A243 E244 | R239-H241 PolarHBondContact NH2-O 3.38Å; H241-A243 PolarHBondContact O-N 2.82Å; H241-A243 VanDerWaalsContact O-N 3.15Å; H241-E244 VanDerWaalsContact O-CB 3.25Å; H241-E244 WeakPolarHBondContact O-CB 3.46Å; H241-E244 PolarHBondContact O-N 3.35Å; H241-E244 VanDerWaalsContact O-N 3.12Å | ||
| 242 | P | 58.1 | Low | 74.6 | Confident | 115 Ų | 115 | 66 Ų | 66 | 75% | 0.747 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.7 | 177.7 | -23.8 | 33.5 | 0 | 0 | 0 | 115.6 | R239 | R239-P242 PolarHBondContact NH2-O 3.17Š|
| 243 | A | 58.1 | Low | 73.7 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 77% | 0.769 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -15.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H241 Q245 | H241-A243 PolarHBondContact O-N 2.82Å; H241-A243 VanDerWaalsContact O-N 3.15Å; A243-Q245 PolarHBondContact O-N 2.9Å; A243-Q245 VanDerWaalsContact O-N 3.09Å |
| 244 | E | 61.5 | Low | 72.8 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 40% | 0.397 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -67.1 | 106.6 | 177.9 | -169.8 | 175.3 | -155.8 | 0 | 0 | 108.4 | R239 H241 P246 | R239-E244 PolarHBondContact NE-O 2.96Å; R239-E244 PolarHBondContact NH2-O 3.27Å; H241-E244 VanDerWaalsContact O-CB 3.25Å; H241-E244 WeakPolarHBondContact O-CB 3.46Å; H241-E244 PolarHBondContact O-N 3.35Å; H241-E244 VanDerWaalsContact O-N 3.12Å; E244-P246 WeakPolarHBondContact O-CD 3.29Å; E244-P246 VanDerWaalsContact O-N 3.1Å |
| 245 | Q | 58.3 | Low | 72.2 | Confident | 186 Ų | 186 | 79.4 Ų | 79.4 | 87% | 0.869 | 46% | 0.464 | S | S | * | . | trans | -72 | 103.9 | 178.8 | -70 | -167.8 | 9.9 | 0 | 0 | 108.6 | A243 | A243-Q245 PolarHBondContact O-N 2.9Å; A243-Q245 VanDerWaalsContact O-N 3.09Å | ||
| 246 | P | 60.9 | Low | 71.9 | Confident | 24 Ų | 24 | 76.9 Ų | 76.9 | 16% | 0.156 | 45% | 0.453 | C | S | . | . | trans | -68.6 | 154.8 | -178.4 | 32.8 | -34.1 | 0 | 0 | 0 | 109.6 | E244 G248 A396 | E244-P246 WeakPolarHBondContact O-CD 3.29Å; E244-P246 VanDerWaalsContact O-N 3.1Å; P246-G248 PolarHBondContact O-N 2.85Å; P246-A396 HydrophobicContact CB-CB 3.31Å; P246-A396 HydrophobicContact CG-CB 4.36Å | ||
| 247 | S | 59.1 | Low | 71.7 | Confident | 74 Ų | 74 | 85.9 Ų | 85.9 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -50.6 | 141.4 | 176.8 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | L335 | S247-L335 VanDerWaalsContact O-CD2 3.26Å; S247-L335 WeakPolarHBondContact O-CD2 3.31Å |
| 248 | G | 58.8 | Low | 71.9 | Confident | 39 Ų | 39 | 83.3 Ų | 83.3 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 106.5 | 165.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P246 L335 | P246-G248 PolarHBondContact O-N 2.85Å; G248-L335 CarbonylContact C-O 3.59Å; G248-L335 WeakPolarHBondContact CA-O 3.18Å |
| 249 | L | 60.6 | Low | 72.2 | Confident | 52 Ų | 52 | 80.5 Ų | 80.5 | 27% | 0.272 | 46% | 0.46 | S | S | . | . | trans | -79.3 | 124.1 | 179.4 | -60.7 | 172.1 | 0 | 0 | 0 | 108.8 | A308 L335 | L249-A308 HydrophobicContact CD1-CB 3.52Å; L249-L335 PolarHBondContact N-O 2.65Å | ||
| 250 | G | 65.2 | Low | 72.9 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 53% | 0.526 | 45% | 0.452 | S | S | . | . | trans | -53.8 | 138.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | P252 | G250-P252 WeakPolarHBondContact O-CD 3.24Š| ||
| 251 | P | 65.6 | Low | 74 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 28% | 0.279 | 42% | 0.419 | S | S | . | . | trans | -58.2 | 104.1 | -168.5 | 21 | -31.1 | 0 | 0 | 0 | 109.6 | L253 F389 | P251-L253 VanDerWaalsContact C-N 3.25Å; P251-L253 PolarHBondContact O-N 2.96Å; P251-F389 HydrophobicContact CB-CD1 3.88Å; P251-F389 HydrophobicContact CB-CD2 4.21Å; P251-F389 HydrophobicContact CB-CE1 3.8Å; P251-F389 HydrophobicContact CB-CE2 4.14Å; P251-F389 HydrophobicContact CB-CG 4.08Å; P251-F389 HydrophobicContact CB-CZ 3.92Å; P251-F389 HydrophobicContact CG-CB 4.29Å; P251-F389 HydrophobicContact CG-CD1 3.97Å; P251-F389 HydrophobicContact CG-CD2 4.33Å; P251-F389 HydrophobicContact CG-CE1 4.4Å; P251-F389 HydrophobicContact CG-CG 3.91Å | ||
| 252 | P | 68.2 | Low | 75.5 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 16% | 0.156 | 39% | 0.39 | C | S | . | . | trans | -88.7 | 75.6 | -164.7 | 34 | -30.7 | 0 | 0 | 0 | 107.4 | G250 A254 R255 K256 A308 | G250-P252 WeakPolarHBondContact O-CD 3.24Å; P252-A254 PolarHBondContact O-N 3.01Å; P252-A254 VanDerWaalsContact O-N 3.13Å; P252-R255 HydrophobicContact CB-CB 3.91Å; P252-R255 HydrophobicContact CB-CG 3.99Å; P252-R255 HydrophobicContact CG-CB 4.16Å; P252-R255 CarbonylContact O-C 3.5Å; P252-R255 WeakPolarHBondContact O-CA 3.49Å; P252-R255 WeakPolarHBondContact O-CB 3.06Å; P252-R255 PolarHBondContact O-N 3.07Å; P252-K256 PolarHBondContact O-N 2.03Å; P252-A308 HydrophobicContact CG-CB 4.48Å | ||
| 253 | L | 78.3 | Confident | 77.3 | Confident | 55 Ų | 55 | 63 Ų | 63 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -51.2 | -41.4 | -173.3 | -61.4 | -176.6 | 0 | 0 | 0 | 112.1 | P251 R255 K256 V382 Y385 R386 | P251-L253 VanDerWaalsContact C-N 3.25Å; P251-L253 PolarHBondContact O-N 2.96Å; L253-R255 PolarHBondContact O-N 3.18Å; L253-K256 WeakPolarHBondContact O-CB 3.31Å; L253-K256 PolarHBondContact O-N 3.23Å; L253-V382 HydrophobicContact CD1-CG1 4.46Å; L253-Y385 HydrophobicContact CD2-CD1 4.07Å; L253-Y385 HydrophobicContact CD2-CE1 3.45Å; L253-Y385 VanDerWaalsContact CD2-CE1 3.45Å; L253-R386 HydrophobicContact CD1-CG 3.92Å |
| 254 | A | 81 | Confident | 78.9 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 87% | 0.868 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -66.8 | -18.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P252 | P252-A254 PolarHBondContact O-N 3.01Å; P252-A254 VanDerWaalsContact O-N 3.13Å |
| 255 | R | 82.9 | Confident | 80.1 | Confident | 171 Ų | 171 | 59.9 Ų | 59.9 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -99 | -4.2 | 177.4 | -56.8 | -176 | 178.2 | 169.3 | -2.9 | 112.8 | P252 L253 R257 | P252-R255 HydrophobicContact CB-CB 3.91Å; P252-R255 HydrophobicContact CB-CG 3.99Å; P252-R255 HydrophobicContact CG-CB 4.16Å; P252-R255 CarbonylContact O-C 3.5Å; P252-R255 WeakPolarHBondContact O-CA 3.49Å; P252-R255 WeakPolarHBondContact O-CB 3.06Å; P252-R255 PolarHBondContact O-N 3.07Å; L253-R255 PolarHBondContact O-N 3.18Å; R255-R257 PolarHBondContact O-N 3.14Å |
| 256 | K | 90.6 | Very high | 81.4 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | trans | -70.3 | 114.6 | 175.1 | -60.8 | -71.6 | -177.7 | -161.4 | 0 | 108.4 | P252 L253 A308 R309 Y310 K311 G337 | P252-K256 PolarHBondContact O-N 2.03Å; L253-K256 WeakPolarHBondContact O-CB 3.31Å; L253-K256 PolarHBondContact O-N 3.23Å; K256-A308 WeakPolarHBondContact CD-O 3.03Å; K256-A308 PolarHBondContact NZ-O 3.1Å; K256-R309 CarbonylContact C-O 3.29Å; K256-R309 WeakPolarHBondContact CA-O 3.46Å; K256-Y310 WeakPolarHBondContact CD-O 3.41Å; K256-Y310 VanDerWaalsContact CE-O 3.26Å; K256-Y310 WeakPolarHBondContact CE-O 3.35Å; K256-Y310 PolarHBondContact NZ-O 2.59Å; K256-K311 HydrophobicContact CB-CG 4.13Å; K256-K311 HydrophobicContact CD-CG 4.3Å; K256-K311 HydrophobicContact CG-CG 4.25Å; K256-G337 WeakPolarHBondContact CE-O 3.25Å; K256-G337 PolarHBondContact NZ-O 3.36Å | ||
| 257 | R | 90.6 | Very high | 82.8 | Confident | 221 Ų | 221 | 56.9 Ų | 56.9 | 83% | 0.834 | 32% | 0.324 | S | S | * | . | trans | -115.2 | -31 | 179.4 | -62.3 | -176.2 | -175.1 | -84.2 | 1.5 | 112.6 | R255 R309 | R255-R257 PolarHBondContact O-N 3.14Å; R257-R309 PolarHBondContact N-O 2.87Å | ||
| 258 | G | 94.9 | Very high | 84.5 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 158.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R309 Y310 K311 | G258-R309 PolarHBondContact N-O 3.46Å; G258-Y310 VanDerWaalsContact O-CA 3.32Å; G258-Y310 WeakPolarHBondContact O-CA 3.42Å; G258-K311 PolarHBondContact O-N 3.24Å; G258-K311 VanDerWaalsContact O-N 3.1Å |
| 259 | L | 97.6 | Very high | 86.2 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -65.9 | -179.1 | -175.4 | 59.9 | 0 | 0 | 0 | 111.5 | V284 K311 F312 L376 D379 | L259-V284 HydrophobicContact CD2-CG2 3.42Å; L259-V284 VanDerWaalsContact CD2-CG2 3.42Å; L259-V284 HydrophobicContact CG-CG2 4.38Å; L259-K311 HydrophobicContact CD1-CD 4.42Å; L259-K311 PolarHBondContact O-N 3.26Å; L259-F312 HydrophobicContact CD1-CD2 3.91Å; L259-F312 HydrophobicContact CD1-CE2 3.81Å; L259-F312 HydrophobicContact CG-CD2 4.42Å; L259-F312 WeakPolarHBondContact O-CD2 3.18Å; L259-F312 PolarHBondContact O-N 3.03Å; L259-L376 HydrophobicContact CD2-CD2 3.76Å; L259-D379 HydrophobicContact CD1-CB 3.7Å |
| 260 | V | 98.7 | Very high | 87.8 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.8 | -178.7 | -168.6 | 0 | 0 | 0 | 0 | 109.9 | V284 V286 D287 Y310 F312 L314 L375 | V260-V284 HydrophobicContact CG2-CG2 4.18Å; V260-V286 HydrophobicContact CB-CG2 4.15Å; V260-V286 HydrophobicContact CG1-CG1 4.14Å; V260-V286 HydrophobicContact CG1-CG2 4.09Å; V260-D287 PolarHBondContact O-N 2.96Å; V260-Y310 VanDerWaalsContact C-CD1 3.5Å; V260-F312 WeakPolarHBondContact CA-O 3.41Å; V260-F312 HydrophobicContact CG1-CB 4.37Å; V260-F312 HydrophobicContact CG2-CB 4.26Å; V260-F312 HydrophobicContact CG2-CD2 4.38Å; V260-L314 HydrophobicContact CG1-CD1 4.3Å; V260-L314 HydrophobicContact CG1-CD2 3.59Å; V260-L314 HydrophobicContact CG1-CG 3.7Å; V260-L375 HydrophobicContact CG2-CD1 3.89Å |
| 261 | A | 97.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 149.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D287 F289 Y310 F312 Y313 L314 | A261-D287 CarbonylContact C-O 3.42Å; A261-D287 WeakPolarHBondContact CA-O 3.44Å; A261-F289 HydrophobicContact CB-CD2 4.49Å; A261-F289 HydrophobicContact CB-CE2 4.23Å; A261-Y310 HydrophobicContact CB-CD1 3.54Å; A261-Y310 HydrophobicContact CB-CD2 3.58Å; A261-Y310 HydrophobicContact CB-CE1 3.91Å; A261-Y310 HydrophobicContact CB-CE2 3.95Å; A261-Y310 HydrophobicContact CB-CG 3.37Å; A261-F312 PolarHBondContact N-O 3.21Å; A261-Y313 HydrophobicContact CB-CD2 4.47Å; A261-Y313 CarbonylContact O-C 3.4Å; A261-Y313 WeakPolarHBondContact O-CA 3.42Å; A261-L314 PolarHBondContact O-N 3.38Å |
| 262 | W | 97.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 125 | 168.9 | -173.5 | 28.8 | 0 | 0 | 0 | 110.1 | V264 W267 R273 V274 Y277 V286 D287 V288 F289 L314 F316 | W262-V264 HydrophobicContact CD2-CB 4.22Å; W262-V264 HydrophobicContact CD2-CG1 4.24Å; W262-V264 HydrophobicContact CE3-CG1 4.31Å; W262-V264 HydrophobicContact CH2-CB 4.44Å; W262-V264 HydrophobicContact CH2-CG1 4.44Å; W262-V264 HydrophobicContact CH2-CG2 4.3Å; W262-V264 HydrophobicContact CZ2-CB 3.92Å; W262-V264 HydrophobicContact CZ2-CG1 4.36Å; W262-V264 HydrophobicContact CZ2-CG2 3.84Å; W262-V264 HydrophobicContact CZ3-CG1 4.41Å; W262-W267 HydrophobicContact CE3-CZ3 4.25Å; W262-W267 HydrophobicContact CH2-CE3 4.3Å; W262-W267 HydrophobicContact CH2-CH2 4.45Å; W262-W267 AromaticContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CZ3-CE3 4.28Å; W262-W267 AromaticContact CZ3-CH2 3.9Å; W262-W267 HydrophobicContact CZ3-CH2 3.9Å; W262-W267 AromaticContact CZ3-CZ3 3.39Å; W262-W267 HydrophobicContact CZ3-CZ3 3.39Å; W262-R273 HydrophobicContact CH2-CG 4.34Å; W262-R273 HydrophobicContact CZ2-CB 4.27Å; W262-R273 HydrophobicContact CZ2-CG 4.01Å; W262-V274 HydrophobicContact CH2-CG2 4.12Å; W262-Y277 AromaticContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CE2 4.21Å; W262-Y277 AromaticContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CH2-CG 4.46Å; W262-Y277 AromaticContact CZ3-CD1 3.89Å; W262-Y277 HydrophobicContact CZ3-CD1 3.89Å; W262-Y277 AromaticContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CE2 4.5Å; W262-Y277 AromaticContact CZ3-CG 3.45Å; W262-Y277 HydrophobicContact CZ3-CG 3.45Å; W262-Y277 VanDerWaalsContact CZ3-CG 3.45Å; W262-V286 HydrophobicContact CB-CG1 4.13Å; W262-D287 PolarHBondContact N-O 2.96Å; W262-V288 HydrophobicContact CE3-CG1 4.26Å; W262-V288 HydrophobicContact CE3-CG2 4.26Å; W262-V288 CarbonylContact O-C 3.54Å; W262-V288 WeakPolarHBondContact O-CA 3.48Å; W262-F289 PolarHBondContact O-N 2.88Å; W262-L314 HydrophobicContact CB-CB 3.92Å; W262-L314 HydrophobicContact CB-CD1 3.98Å; W262-L314 HydrophobicContact CB-CG 4.12Å; W262-L314 HydrophobicContact CD2-CD1 4.4Å; W262-L314 HydrophobicContact CG-CB 3.81Å; W262-L314 HydrophobicContact CG-CD1 4.13Å; W262-L314 HydrophobicContact CG-CG 4.4Å; W262-F316 HydrophobicContact CZ2-CD2 4.5Å |
| 263 | V | 96.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 14% | 0.139 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.9 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | F289 V298 L303 V307 Y313 | V263-F289 CarbonylContact C-O 3.54Å; V263-F289 WeakPolarHBondContact CA-O 3.37Å; V263-F289 HydrophobicContact CB-CB 4.49Å; V263-F289 HydrophobicContact CG2-CB 3.96Å; V263-F289 HydrophobicContact CG2-CD2 4.4Å; V263-V298 HydrophobicContact CG1-CG2 3.98Å; V263-L303 HydrophobicContact CG1-CD1 4.02Å; V263-L303 HydrophobicContact CG2-CG 4.37Å; V263-V307 HydrophobicContact CG2-CG2 4.05Å; V263-Y313 HydrophobicContact CB-CE2 4.04Å; V263-Y313 HydrophobicContact CG2-CE2 3.87Å |
| 264 | V | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | trans | -132.7 | 127.1 | -174.5 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | W262 W267 V288 F289 G290 | W262-V264 HydrophobicContact CD2-CB 4.22Å; W262-V264 HydrophobicContact CD2-CG1 4.24Å; W262-V264 HydrophobicContact CE3-CG1 4.31Å; W262-V264 HydrophobicContact CH2-CB 4.44Å; W262-V264 HydrophobicContact CH2-CG1 4.44Å; W262-V264 HydrophobicContact CH2-CG2 4.3Å; W262-V264 HydrophobicContact CZ2-CB 3.92Å; W262-V264 HydrophobicContact CZ2-CG1 4.36Å; W262-V264 HydrophobicContact CZ2-CG2 3.84Å; W262-V264 HydrophobicContact CZ3-CG1 4.41Å; V264-W267 HydrophobicContact CG1-CE3 3.91Å; V264-W267 HydrophobicContact CG1-CZ3 4.1Å; V264-W267 HydrophobicContact CG2-CE3 4.43Å; V264-V288 HydrophobicContact CG1-CG1 3.72Å; V264-F289 PolarHBondContact N-O 3.47Å; V264-G290 WeakPolarHBondContact O-CA 3.47Å | ||
| 265 | S | 84.8 | Confident | 93.8 | Very high | 110 Ų | 110 | 62.6 Ų | 62.6 | 77% | 0.769 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -105.5 | -17.3 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | A292 | S265-A292 WeakPolarHBondContact O-CB 3.38Š|
| 266 | H | 86.3 | Confident | 94.5 | Very high | 96 Ų | 96 | 55.9 Ų | 55.9 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | trans | -127.2 | 105.1 | -179.4 | -169.7 | -73.1 | 0 | 0 | 0 | 109.6 | R273 | H266-R273 PolarHBondContact O-NH2 3.22Š| ||
| 267 | W | 91.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | trans | -102.2 | 126.7 | -177.4 | -171.4 | -83.4 | 0 | 0 | 0 | 110.6 | W262 V264 E269 V274 Y277 H278 V288 A292 G293 P294 | W262-W267 HydrophobicContact CE3-CZ3 4.25Å; W262-W267 HydrophobicContact CH2-CE3 4.3Å; W262-W267 HydrophobicContact CH2-CH2 4.45Å; W262-W267 AromaticContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CZ3-CE3 4.28Å; W262-W267 AromaticContact CZ3-CH2 3.9Å; W262-W267 HydrophobicContact CZ3-CH2 3.9Å; W262-W267 AromaticContact CZ3-CZ3 3.39Å; W262-W267 HydrophobicContact CZ3-CZ3 3.39Å; V264-W267 HydrophobicContact CG1-CE3 3.91Å; V264-W267 HydrophobicContact CG1-CZ3 4.1Å; V264-W267 HydrophobicContact CG2-CE3 4.43Å; W267-E269 PolarHBondContact NE1-OE1 2.72Å; W267-V274 HydrophobicContact CD2-CG1 4.35Å; W267-V274 HydrophobicContact CD2-CG2 4.08Å; W267-V274 HydrophobicContact CE3-CG2 4.32Å; W267-V274 HydrophobicContact CG-CG2 4.48Å; W267-V274 HydrophobicContact CH2-CG1 4.14Å; W267-V274 HydrophobicContact CZ2-CG1 3.47Å; W267-V274 VanDerWaalsContact CZ2-CG1 3.47Å; W267-V274 HydrophobicContact CZ2-CG2 4.48Å; W267-Y277 AromaticContact CH2-CD1 3.61Å; W267-Y277 HydrophobicContact CH2-CD1 3.61Å; W267-Y277 AromaticContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CZ2-CD1 4.4Å; W267-Y277 HydrophobicContact CZ2-CE1 4.44Å; W267-Y277 HydrophobicContact CZ3-CD1 4.45Å; W267-Y277 HydrophobicContact CZ3-CE1 4.48Å; W267-H278 AromaticContact CZ2-NE2 3.84Å; W267-V288 HydrophobicContact CZ3-CG1 4.49Å; W267-A292 HydrophobicContact CB-CB 3.67Å; W267-G293 VanDerWaalsContact CD2-CA 3.49Å; W267-P294 HydrophobicContact CH2-CG 3.92Å; W267-P294 HydrophobicContact CZ2-CG 4.5Å; W267-P294 VanDerWaalsContact CZ3-CD 3.47Å; W267-P294 HydrophobicContact CZ3-CG 4.23Å | ||
| 268 | N | 93.5 | Very high | 95.2 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | trans | -149.5 | 121.1 | 172.6 | -178.5 | -28.1 | 0 | 0 | 0 | 109.2 | R270 Q271 V274 | N268-R270 PolarHBondContact O-N 3.26Å; N268-R270 VanDerWaalsContact OD1-CB 3.3Å; N268-R270 WeakPolarHBondContact OD1-CB 3.46Å; N268-R270 PolarHBondContact OD1-N 3.12Å; N268-Q271 HydrophobicContact CB-CG 3.98Å; N268-Q271 WeakPolarHBondContact O-CB 3.32Å; N268-Q271 PolarHBondContact O-N 3.15Å; N268-V274 WeakPolarHBondContact O-CB 3.38Å; N268-V274 VanDerWaalsContact O-CG2 3.28Å; N268-V274 WeakPolarHBondContact O-CG2 3.36Å | ||
| 269 | E | 94.8 | Very high | 95.4 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 49% | 0.486 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.2 | -178.7 | -64.7 | -59.6 | 155.9 | 0 | 0 | 113.8 | W267 Q271 V274 R275 H278 | W267-E269 PolarHBondContact NE1-OE1 2.72Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-V274 WeakPolarHBondContact OE2-CG1 3.04Å; E269-R275 WeakPolarHBondContact O-CG 3.47Å; E269-H278 IonicContact OE1-NE2 3.94Å; E269-H278 IonicContact OE2-CD2 3.75Å; E269-H278 IonicContact OE2-NE2 3.59Å; E269-H278 PolarHBondContact OE2-NE2 2.65Å |
| 270 | R | 94.5 | Very high | 95.5 | Very high | 212 Ų | 212 | 49.3 Ų | 49.3 | 80% | 0.8 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.5 | 177.4 | -56.3 | -175.4 | -178.1 | -163.1 | 0.6 | 113.3 | N268 R275 | N268-R270 PolarHBondContact O-N 3.26Å; N268-R270 VanDerWaalsContact OD1-CB 3.3Å; N268-R270 WeakPolarHBondContact OD1-CB 3.46Å; N268-R270 PolarHBondContact OD1-N 3.12Å; R270-R275 PolarHBondContact O-NH1 3Å |
| 271 | Q | 95.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -78 | 138.1 | 178.5 | -70.1 | 177.4 | -20.4 | 0 | 0 | 110.9 | N268 E269 R273 V274 R275 | N268-Q271 HydrophobicContact CB-CG 3.98Å; N268-Q271 WeakPolarHBondContact O-CB 3.32Å; N268-Q271 PolarHBondContact O-N 3.15Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-R273 HydrophobicContact CB-CG 4.06Å; Q271-R273 PolarHBondContact O-N 3.37Å; Q271-R273 VanDerWaalsContact OE1-NH2 3.08Å; Q271-V274 HydrophobicContact CB-CG2 4.48Å; Q271-V274 PolarHBondContact O-N 3.23Å; Q271-R275 PolarHBondContact O-N 3.05Å |
| 272 | A | 96.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 64 Ų | 64 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.9 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V274 R275 Y276 Q320 L343 | A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 2.72Å; A272-R275 PolarHBondContact O-N 3.01Å; A272-Y276 WeakPolarHBondContact O-CB 3.25Å; A272-Y276 PolarHBondContact O-N 2.91Å; A272-Q320 VanDerWaalsContact CB-OE1 3.23Å; A272-L343 HydrophobicContact CB-CD2 4.23Å |
| 273 | R | 96.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 4% | 0.038 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 177.6 | 70.5 | -175.6 | -178.5 | -178.6 | -5.8 | 114.6 | W262 H266 Q271 Y277 F316 E317 L343 | W262-R273 HydrophobicContact CH2-CG 4.34Å; W262-R273 HydrophobicContact CZ2-CB 4.27Å; W262-R273 HydrophobicContact CZ2-CG 4.01Å; H266-R273 PolarHBondContact O-NH2 3.22Å; Q271-R273 HydrophobicContact CB-CG 4.06Å; Q271-R273 PolarHBondContact O-N 3.37Å; Q271-R273 VanDerWaalsContact OE1-NH2 3.08Å; R273-Y277 WeakPolarHBondContact O-CB 3.45Å; R273-Y277 PolarHBondContact O-N 3.04Å; R273-F316 HydrophobicContact CB-CB 3.65Å; R273-F316 HydrophobicContact CB-CD2 3.9Å; R273-F316 HydrophobicContact CB-CG 4.19Å; R273-F316 PolarHBondContact NH1-O 3.34Å; R273-E317 WeakPolarHBondContact CD-O 3.46Å; R273-L343 HydrophobicContact CB-CD2 4.3Å |
| 274 | V | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.5 | -45.1 | -179.2 | 175 | 0 | 0 | 0 | 0 | 109.3 | W262 W267 N268 E269 Q271 A272 Y276 Y277 H278 | W262-V274 HydrophobicContact CH2-CG2 4.12Å; W267-V274 HydrophobicContact CD2-CG1 4.35Å; W267-V274 HydrophobicContact CD2-CG2 4.08Å; W267-V274 HydrophobicContact CE3-CG2 4.32Å; W267-V274 HydrophobicContact CG-CG2 4.48Å; W267-V274 HydrophobicContact CH2-CG1 4.14Å; W267-V274 HydrophobicContact CZ2-CG1 3.47Å; W267-V274 VanDerWaalsContact CZ2-CG1 3.47Å; W267-V274 HydrophobicContact CZ2-CG2 4.48Å; N268-V274 WeakPolarHBondContact O-CB 3.38Å; N268-V274 VanDerWaalsContact O-CG2 3.28Å; N268-V274 WeakPolarHBondContact O-CG2 3.36Å; E269-V274 WeakPolarHBondContact OE2-CG1 3.04Å; Q271-V274 HydrophobicContact CB-CG2 4.48Å; Q271-V274 PolarHBondContact O-N 3.23Å; A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 2.72Å; V274-Y276 VanDerWaalsContact C-N 3.33Å; V274-Y276 PolarHBondContact O-N 2.99Å; V274-Y277 WeakPolarHBondContact O-CB 3.24Å; V274-Y277 PolarHBondContact O-N 3.42Å; V274-H278 PolarHBondContact O-CD2 3.19Å; V274-H278 PolarHBondContact O-N 2.89Å |
| 275 | R | 97.8 | Very high | 95.8 | Very high | 133 Ų | 133 | 72 Ų | 72 | 50% | 0.502 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 173.5 | -64.1 | -168.5 | -63.8 | -111.6 | -2.7 | 112 | E269 R270 Q271 A272 H278 Q279 | E269-R275 WeakPolarHBondContact O-CG 3.47Å; R270-R275 PolarHBondContact O-NH1 3Å; Q271-R275 PolarHBondContact O-N 3.05Å; A272-R275 PolarHBondContact O-N 3.01Å; R275-H278 WeakPolarHBondContact O-CB 3.48Å; R275-H278 PolarHBondContact O-N 3.29Å; R275-Q279 WeakPolarHBondContact O-CG 3.23Å; R275-Q279 PolarHBondContact O-N 3.4Å |
| 276 | Y | 98.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 11% | 0.114 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 179.3 | -162.8 | -87.8 | 0 | 0 | 0 | 111.8 | A272 V274 H278 Q279 L280 F316 L343 V362 A368 L371 | A272-Y276 WeakPolarHBondContact O-CB 3.25Å; A272-Y276 PolarHBondContact O-N 2.91Å; V274-Y276 VanDerWaalsContact C-N 3.33Å; V274-Y276 PolarHBondContact O-N 2.99Å; Y276-H278 VanDerWaalsContact C-N 3.32Å; Y276-H278 PolarHBondContact O-N 3.47Å; Y276-Q279 PolarHBondContact O-N 3.15Å; Y276-Q279 VanDerWaalsContact O-N 3.16Å; Y276-L280 HydrophobicContact CE1-CB 4.46Å; Y276-L280 WeakPolarHBondContact O-CB 3.29Å; Y276-L280 PolarHBondContact O-N 2.9Å; Y276-F316 AromaticContact CD1-CE2 3.9Å; Y276-F316 HydrophobicContact CD1-CE2 3.9Å; Y276-F316 AromaticContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CE1-CZ 4.18Å; Y276-L343 HydrophobicContact CD1-CD1 4.4Å; Y276-L343 HydrophobicContact CD2-CD1 4.22Å; Y276-L343 HydrophobicContact CG-CD1 3.87Å; Y276-V362 HydrophobicContact CD1-CG1 4.02Å; Y276-V362 HydrophobicContact CE1-CB 4.05Å; Y276-V362 HydrophobicContact CE1-CG1 3.44Å; Y276-V362 VanDerWaalsContact CE1-CG1 3.44Å; Y276-V362 HydrophobicContact CE2-CB 3.98Å; Y276-V362 HydrophobicContact CE2-CG1 4.25Å; Y276-A368 HydrophobicContact CE1-CB 4.42Å; Y276-A368 HydrophobicContact CE2-CB 4.48Å; Y276-L371 HydrophobicContact CE1-CD2 3.73Å; Y276-L371 VanDerWaalsContact OH-CD2 3.27Å; Y276-L371 WeakPolarHBondContact OH-CD2 3.2Å |
| 277 | Y | 98.1 | Very high | 96.9 | Very high | 14 Ų | 14 | 65.8 Ų | 65.8 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.3 | -44 | 171.5 | 163.7 | -99.7 | 0 | 0 | 0 | 112.4 | W262 W267 R273 V274 Q279 L280 R281 V286 V288 P294 | W262-Y277 AromaticContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CE2 4.21Å; W262-Y277 AromaticContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CH2-CG 4.46Å; W262-Y277 AromaticContact CZ3-CD1 3.89Å; W262-Y277 HydrophobicContact CZ3-CD1 3.89Å; W262-Y277 AromaticContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CE2 4.5Å; W262-Y277 AromaticContact CZ3-CG 3.45Å; W262-Y277 HydrophobicContact CZ3-CG 3.45Å; W262-Y277 VanDerWaalsContact CZ3-CG 3.45Å; W267-Y277 AromaticContact CH2-CD1 3.61Å; W267-Y277 HydrophobicContact CH2-CD1 3.61Å; W267-Y277 AromaticContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CZ2-CD1 4.4Å; W267-Y277 HydrophobicContact CZ2-CE1 4.44Å; W267-Y277 HydrophobicContact CZ3-CD1 4.45Å; W267-Y277 HydrophobicContact CZ3-CE1 4.48Å; R273-Y277 WeakPolarHBondContact O-CB 3.45Å; R273-Y277 PolarHBondContact O-N 3.04Å; V274-Y277 WeakPolarHBondContact O-CB 3.24Å; V274-Y277 PolarHBondContact O-N 3.42Å; Y277-Q279 VanDerWaalsContact C-N 3.26Å; Y277-Q279 PolarHBondContact O-N 3.49Å; Y277-L280 PolarHBondContact O-N 2.88Å; Y277-R281 HydrophobicContact CD2-CB 4.49Å; Y277-R281 HydrophobicContact CE2-CB 4.08Å; Y277-R281 WeakPolarHBondContact O-CB 3.15Å; Y277-R281 WeakPolarHBondContact O-CG 3.3Å; Y277-R281 PolarHBondContact O-N 3.23Å; Y277-V286 HydrophobicContact CD2-CB 4.34Å; Y277-V286 HydrophobicContact CD2-CG1 4.03Å; Y277-V286 HydrophobicContact CE2-CB 3.84Å; Y277-V286 HydrophobicContact CE2-CG1 3.76Å; Y277-V288 HydrophobicContact CD2-CG2 4.42Å; Y277-V288 HydrophobicContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact OH-CG2 3.31Å; Y277-V288 WeakPolarHBondContact OH-CG2 3.38Å; Y277-P294 HydrophobicContact CE1-CG 4.41Å |
| 278 | H | 98.1 | Very high | 97.2 | Very high | 44 Ų | 44 | 64 Ų | 64 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 177.3 | -80.5 | -66.1 | 0 | 0 | 0 | 113.6 | W267 E269 V274 R275 Y276 R281 R282 | W267-H278 AromaticContact CZ2-NE2 3.84Å; E269-H278 IonicContact OE1-NE2 3.94Å; E269-H278 IonicContact OE2-CD2 3.75Å; E269-H278 IonicContact OE2-NE2 3.59Å; E269-H278 PolarHBondContact OE2-NE2 2.65Å; V274-H278 PolarHBondContact O-CD2 3.19Å; V274-H278 PolarHBondContact O-N 2.89Å; R275-H278 WeakPolarHBondContact O-CB 3.48Å; R275-H278 PolarHBondContact O-N 3.29Å; Y276-H278 VanDerWaalsContact C-N 3.32Å; Y276-H278 PolarHBondContact O-N 3.47Å; H278-R281 PolarHBondContact ND1-NE 3.17Å; H278-R281 PolarHBondContact ND1-NH2 2.9Å; H278-R281 VanDerWaalsContact ND1-NH2 3.18Å; H278-R282 WeakPolarHBondContact O-CG 3.24Å |
| 279 | Q | 98.6 | Very high | 97.3 | Very high | 99 Ų | 99 | 61.6 Ų | 61.6 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.9 | -50.5 | 173.6 | -62.1 | 173.7 | 23.5 | 0 | 0 | 110.5 | R275 Y276 Y277 R281 R282 H283 A368 | R275-Q279 WeakPolarHBondContact O-CG 3.23Å; R275-Q279 PolarHBondContact O-N 3.4Å; Y276-Q279 PolarHBondContact O-N 3.15Å; Y276-Q279 VanDerWaalsContact O-N 3.16Å; Y277-Q279 VanDerWaalsContact C-N 3.26Å; Y277-Q279 PolarHBondContact O-N 3.49Å; Q279-R281 PolarHBondContact O-N 3.06Å; Q279-R282 WeakPolarHBondContact O-CB 3.47Å; Q279-R282 PolarHBondContact O-N 3.06Å; Q279-H283 PolarHBondContact O-CD2 3Å; Q279-H283 VanDerWaalsContact O-CD2 3.31Å; Q279-A368 HydrophobicContact CB-CB 3.7Å |
| 280 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | -175.3 | -176.5 | 63.3 | 0 | 0 | 0 | 113 | Y276 Y277 R282 H283 V284 V286 L314 A368 L371 A372 | Y276-L280 HydrophobicContact CE1-CB 4.46Å; Y276-L280 WeakPolarHBondContact O-CB 3.29Å; Y276-L280 PolarHBondContact O-N 2.9Å; Y277-L280 PolarHBondContact O-N 2.88Å; L280-R282 PolarHBondContact O-N 3.08Å; L280-H283 PolarHBondContact O-N 3.25Å; L280-V284 HydrophobicContact CD1-CG1 3.72Å; L280-V284 HydrophobicContact CG-CG1 3.79Å; L280-V284 PolarHBondContact O-N 3.38Å; L280-V286 HydrophobicContact CD2-CG2 4.35Å; L280-V286 HydrophobicContact CG-CG2 4.48Å; L280-L314 HydrophobicContact CD2-CD1 4.17Å; L280-L314 HydrophobicContact CD2-CD2 4.06Å; L280-A368 HydrophobicContact CB-CB 4.28Å; L280-A368 HydrophobicContact CD1-CB 4.47Å; L280-A368 WeakPolarHBondContact CD1-O 3.48Å; L280-L371 HydrophobicContact CD1-CD2 4.11Å; L280-L371 HydrophobicContact CD1-CG 4.23Å; L280-L371 HydrophobicContact CD2-CD2 4.49Å; L280-A372 HydrophobicContact CD1-CB 3.98Å |
| 281 | R | 97.8 | Very high | 96.4 | Very high | 114 Ų | 114 | 59 Ų | 59 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.8 | -176 | 77.6 | -177.5 | -169.1 | 172.6 | 0.9 | 114.1 | Y277 H278 Q279 H283 V284 | Y277-R281 HydrophobicContact CD2-CB 4.49Å; Y277-R281 HydrophobicContact CE2-CB 4.08Å; Y277-R281 WeakPolarHBondContact O-CB 3.15Å; Y277-R281 WeakPolarHBondContact O-CG 3.3Å; Y277-R281 PolarHBondContact O-N 3.23Å; H278-R281 PolarHBondContact ND1-NE 3.17Å; H278-R281 PolarHBondContact ND1-NH2 2.9Å; H278-R281 VanDerWaalsContact ND1-NH2 3.18Å; Q279-R281 PolarHBondContact O-N 3.06Å; R281-H283 PolarHBondContact O-N 3.33Å; R281-V284 WeakPolarHBondContact CA-O 3.31Å |
| 282 | R | 98.5 | Very high | 95.7 | Very high | 197 Ų | 197 | 58.8 Ų | 58.8 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.7 | 175 | -64.4 | 174.7 | 178.5 | -170.8 | -3 | 112.3 | H278 Q279 L280 | H278-R282 WeakPolarHBondContact O-CG 3.24Å; Q279-R282 WeakPolarHBondContact O-CB 3.47Å; Q279-R282 PolarHBondContact O-N 3.06Å; L280-R282 PolarHBondContact O-N 3.08Å |
| 283 | H | 98.7 | Very high | 95 | Very high | 98 Ų | 98 | 60.1 Ų | 60.1 | 45% | 0.454 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -18.1 | -171 | -55.5 | -69.1 | 0 | 0 | 0 | 113.3 | Q279 L280 R281 A372 | Q279-H283 PolarHBondContact O-CD2 3Å; Q279-H283 VanDerWaalsContact O-CD2 3.31Å; L280-H283 PolarHBondContact O-N 3.25Å; R281-H283 PolarHBondContact O-N 3.33Å; H283-A372 HydrophobicContact CB-CB 3.43Å; H283-A372 VanDerWaalsContact CB-CB 3.43Å |
| 284 | V | 98.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -149.7 | 144.1 | 176.7 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | L259 V260 L280 R281 V286 A372 L376 | L259-V284 HydrophobicContact CD2-CG2 3.42Å; L259-V284 VanDerWaalsContact CD2-CG2 3.42Å; L259-V284 HydrophobicContact CG-CG2 4.38Å; V260-V284 HydrophobicContact CG2-CG2 4.18Å; L280-V284 HydrophobicContact CD1-CG1 3.72Å; L280-V284 HydrophobicContact CG-CG1 3.79Å; L280-V284 PolarHBondContact O-N 3.38Å; R281-V284 WeakPolarHBondContact CA-O 3.31Å; V284-V286 HydrophobicContact CG1-CG2 4.29Å; V284-V286 PolarHBondContact O-N 3.43Å; V284-A372 HydrophobicContact CB-CB 3.9Å; V284-A372 HydrophobicContact CG1-CB 3.83Å; V284-L376 HydrophobicContact CG2-CD2 4.44Å |
| 285 | S | 97.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | trans | -67 | 131.8 | 174.8 | -165.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 286 | V | 98.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 115 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | V260 W262 Y277 L280 V284 V288 L314 | V260-V286 HydrophobicContact CB-CG2 4.15Å; V260-V286 HydrophobicContact CG1-CG1 4.14Å; V260-V286 HydrophobicContact CG1-CG2 4.09Å; W262-V286 HydrophobicContact CB-CG1 4.13Å; Y277-V286 HydrophobicContact CD2-CB 4.34Å; Y277-V286 HydrophobicContact CD2-CG1 4.03Å; Y277-V286 HydrophobicContact CE2-CB 3.84Å; Y277-V286 HydrophobicContact CE2-CG1 3.76Å; L280-V286 HydrophobicContact CD2-CG2 4.35Å; L280-V286 HydrophobicContact CG-CG2 4.48Å; V284-V286 HydrophobicContact CG1-CG2 4.29Å; V284-V286 PolarHBondContact O-N 3.43Å; V286-V288 HydrophobicContact CG1-CG2 4.31Å; V286-V288 PolarHBondContact O-N 3.11Å; V286-L314 HydrophobicContact CG1-CD1 3.81Å |
| 287 | D | 97.6 | Very high | 93.2 | Very high | 62 Ų | 62 | 67.5 Ų | 67.5 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 116.8 | 177.1 | -67 | -7.2 | 0 | 0 | 0 | 109 | V260 A261 W262 F289 Y310 | V260-D287 PolarHBondContact O-N 2.96Å; A261-D287 CarbonylContact C-O 3.42Å; A261-D287 WeakPolarHBondContact CA-O 3.44Å; W262-D287 PolarHBondContact N-O 2.96Å; D287-F289 HydrophobicContact CB-CE2 3.89Å; D287-F289 HydrophobicContact CB-CZ 4.25Å; D287-Y310 HydrophobicContact CB-CE1 3.76Å; D287-Y310 WeakPolarHBondContact CB-OH 3.11Å; D287-Y310 WeakPolarHBondContact OD2-CE1 3.47Å; D287-Y310 VanDerWaalsContact OD2-CZ 3.26Å; D287-Y310 PolarHBondContact OD2-OH 3.19Å |
| 288 | V | 97.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.6 | -177 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | W262 V264 W267 Y277 V286 P294 G295 Q296 | W262-V288 HydrophobicContact CE3-CG1 4.26Å; W262-V288 HydrophobicContact CE3-CG2 4.26Å; W262-V288 CarbonylContact O-C 3.54Å; W262-V288 WeakPolarHBondContact O-CA 3.48Å; V264-V288 HydrophobicContact CG1-CG1 3.72Å; W267-V288 HydrophobicContact CZ3-CG1 4.49Å; Y277-V288 HydrophobicContact CD2-CG2 4.42Å; Y277-V288 HydrophobicContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact OH-CG2 3.31Å; Y277-V288 WeakPolarHBondContact OH-CG2 3.38Å; V286-V288 HydrophobicContact CG1-CG2 4.31Å; V286-V288 PolarHBondContact O-N 3.11Å; V288-P294 HydrophobicContact CB-CG 4.48Å; V288-P294 HydrophobicContact CG1-CG 4.47Å; V288-P294 HydrophobicContact CG2-CG 4.46Å; V288-G295 WeakPolarHBondContact O-CA 3.35Å; V288-Q296 PolarHBondContact O-N 3.04Å |
| 289 | F | 96 | Very high | 92.5 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 161.9 | 177 | -59.8 | -83 | 0 | 0 | 0 | 111.2 | A261 W262 V263 V264 D287 Q296 V298 T306 Y310 | A261-F289 HydrophobicContact CB-CD2 4.49Å; A261-F289 HydrophobicContact CB-CE2 4.23Å; W262-F289 PolarHBondContact O-N 2.88Å; V263-F289 CarbonylContact C-O 3.54Å; V263-F289 WeakPolarHBondContact CA-O 3.37Å; V263-F289 HydrophobicContact CB-CB 4.49Å; V263-F289 HydrophobicContact CG2-CB 3.96Å; V263-F289 HydrophobicContact CG2-CD2 4.4Å; V264-F289 PolarHBondContact N-O 3.47Å; D287-F289 HydrophobicContact CB-CE2 3.89Å; D287-F289 HydrophobicContact CB-CZ 4.25Å; F289-Q296 CarbonylContact C-O 3.49Å; F289-Q296 WeakPolarHBondContact CA-O 3.49Å; F289-Q296 HydrophobicContact CD1-CB 4.45Å; F289-V298 HydrophobicContact CB-CG2 4.03Å; F289-T306 HydrophobicContact CD1-CG2 4.47Å; F289-T306 HydrophobicContact CD2-CG2 4.36Å; F289-T306 HydrophobicContact CE1-CG2 4.16Å; F289-T306 HydrophobicContact CE2-CG2 4.05Å; F289-T306 HydrophobicContact CZ-CG2 3.95Å; F289-Y310 AromaticContact CE2-CE2 3.94Å; F289-Y310 HydrophobicContact CE2-CE2 3.94Å; F289-Y310 AromaticContact CE2-CZ 3.87Å; F289-Y310 HydrophobicContact CZ-CE2 4.19Å; F289-Y310 WeakPolarHBondContact CZ-OH 3.31Å |
| 290 | G | 89.1 | Confident | 91.9 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 110.7 | 174.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | V264 A292 G295 Q296 | V264-G290 WeakPolarHBondContact O-CA 3.47Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.01Å; G290-G295 CarbonylContact O-C 3.58Å; G290-G295 VanDerWaalsContact O-C 3.29Å; G290-Q296 PolarHBondContact N-O 3.34Å; G290-Q296 CarbonylContact O-C 3.58Å |
| 291 | R | 80.8 | Confident | 91.2 | Very high | 250 Ų | 250 | 74 Ų | 74 | 94% | 0.943 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -86.9 | 3.6 | -175.2 | -65.2 | -176.9 | 178.6 | 173.2 | -1.1 | 113.6 | ||
| 292 | A | 79.5 | Confident | 90.9 | Very high | 15 Ų | 15 | 69.9 Ų | 69.9 | 12% | 0.124 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -120.7 | 149.5 | -171 | 0 | 0 | 0 | 0 | 0 | 111.5 | S265 W267 G290 G295 | S265-A292 WeakPolarHBondContact O-CB 3.38Å; W267-A292 HydrophobicContact CB-CB 3.67Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.01Å; A292-G295 PolarHBondContact O-N 2.9Å |
| 293 | G | 82 | Confident | 90.6 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -144.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W267 G295 | W267-G293 VanDerWaalsContact CD2-CA 3.49Å; G293-G295 PolarHBondContact O-N 2.86Å; G293-G295 VanDerWaalsContact O-N 3.14Å |
| 294 | P | 85.1 | Confident | 90.4 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 13 | 176 | 35.7 | -35.7 | 0 | 0 | 0 | 112.8 | W267 Y277 V288 | W267-P294 HydrophobicContact CH2-CG 3.92Å; W267-P294 HydrophobicContact CZ2-CG 4.5Å; W267-P294 VanDerWaalsContact CZ3-CD 3.47Å; W267-P294 HydrophobicContact CZ3-CG 4.23Å; Y277-P294 HydrophobicContact CE1-CG 4.41Å; V288-P294 HydrophobicContact CB-CG 4.48Å; V288-P294 HydrophobicContact CG1-CG 4.47Å; V288-P294 HydrophobicContact CG2-CG 4.46Å |
| 295 | G | 84.3 | Confident | 90 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 19% | 0.186 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 138.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V288 G290 A292 G293 | V288-G295 WeakPolarHBondContact O-CA 3.35Å; G290-G295 CarbonylContact O-C 3.58Å; G290-G295 VanDerWaalsContact O-C 3.29Å; A292-G295 PolarHBondContact O-N 2.9Å; G293-G295 PolarHBondContact O-N 2.86Å; G293-G295 VanDerWaalsContact O-N 3.14Å |
| 296 | Q | 91.6 | Very high | 89.9 | Confident | 131 Ų | 131 | 59.6 Ų | 59.6 | 61% | 0.612 | 35% | 0.352 | S | S | * | . | B | Isolated β-bridge | trans | -87.5 | 153.8 | 169.5 | -63.8 | -177.3 | -3.2 | 0 | 0 | 110.8 | V288 F289 G290 V298 | V288-Q296 PolarHBondContact O-N 3.04Å; F289-Q296 CarbonylContact C-O 3.49Å; F289-Q296 WeakPolarHBondContact CA-O 3.49Å; F289-Q296 HydrophobicContact CD1-CB 4.45Å; G290-Q296 PolarHBondContact N-O 3.34Å; G290-Q296 CarbonylContact O-C 3.58Å; Q296-V298 PolarHBondContact O-N 2.87Å |
| 297 | P | 91.7 | Very high | 89.7 | Confident | 108 Ų | 108 | 59 Ų | 59 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 136.7 | 172.7 | -25.1 | 34.5 | 0 | 0 | 0 | 111.6 | P299 | P297-P299 WeakPolarHBondContact O-CD 3.4Š|
| 298 | V | 91.8 | Very high | 89.6 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 30% | 0.297 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 128.2 | 171.7 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | V263 F289 Q296 L303 | V263-V298 HydrophobicContact CG1-CG2 3.98Å; F289-V298 HydrophobicContact CB-CG2 4.03Å; Q296-V298 PolarHBondContact O-N 2.87Å; V298-L303 HydrophobicContact CG1-CB 4.34Å |
| 299 | P | 89 | Confident | 89.5 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -57 | 154.3 | -179.4 | -25.8 | 33.1 | 0 | 0 | 0 | 113.1 | P297 V301 G302 T306 | P297-P299 WeakPolarHBondContact O-CD 3.4Å; P299-V301 HydrophobicContact CB-CG1 4.14Å; P299-V301 PolarHBondContact O-N 3.49Å; P299-G302 PolarHBondContact O-N 3.42Å; P299-T306 WeakPolarHBondContact CD-OG1 3.27Å; P299-T306 HydrophobicContact CG-CG2 4.26Å |
| 300 | A | 85.9 | Confident | 89.5 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 97% | 0.967 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G302 | A300-G302 PolarHBondContact O-N 2.84Å; A300-G302 VanDerWaalsContact O-N 3.07Å |
| 301 | V | 85.2 | Confident | 89.9 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 47% | 0.473 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -13.5 | 171.9 | 78 | 0 | 0 | 0 | 0 | 112.9 | P299 H305 | P299-V301 HydrophobicContact CB-CG1 4.14Å; P299-V301 PolarHBondContact O-N 3.49Å; V301-H305 HydrophobicContact CB-CB 4.23Å; V301-H305 HydrophobicContact CG1-CB 3.84Å; V301-H305 HydrophobicContact CG2-CB 3.57Å; V301-H305 PolarHBondContact O-CD2 3.46Å; V301-H305 VanDerWaalsContact O-CD2 3.25Å |
| 302 | G | 91.8 | Very high | 90.8 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | trans | 92.6 | 168.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P299 A300 T306 | P299-G302 PolarHBondContact O-N 3.42Å; A300-G302 PolarHBondContact O-N 2.84Å; A300-G302 VanDerWaalsContact O-N 3.07Å; G302-T306 WeakPolarHBondContact O-CB 3.3Å; G302-T306 PolarHBondContact O-N 3.26Å; G302-T306 PolarHBondContact O-OG1 2.91Å | ||
| 303 | L | 92.5 | Very high | 91.7 | Very high | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -53.7 | -174.9 | -173.1 | 161.2 | 0 | 0 | 0 | 111.8 | V263 V298 H305 T306 V307 N332 | V263-L303 HydrophobicContact CG1-CD1 4.02Å; V263-L303 HydrophobicContact CG2-CG 4.37Å; V298-L303 HydrophobicContact CG1-CB 4.34Å; L303-H305 PolarHBondContact O-N 2.86Å; L303-T306 WeakPolarHBondContact O-CB 3.47Å; L303-T306 PolarHBondContact O-N 2.93Å; L303-T306 VanDerWaalsContact O-N 3.08Å; L303-V307 HydrophobicContact CD2-CG2 3.89Å; L303-V307 HydrophobicContact CG-CG2 4.5Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.41Å; L303-N332 HydrophobicContact CD2-CB 3.81Å; L303-N332 VanDerWaalsContact CD2-CG 3.47Å; L303-N332 WeakPolarHBondContact CD2-OD1 3.36Å |
| 304 | L | 92.7 | Very high | 92.5 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 23% | 0.225 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | -174 | -68 | -177.8 | 0 | 0 | 0 | 111.9 | T306 V307 A308 R331 L335 A336 | L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 2.73Å; L304-V307 PolarHBondContact O-N 2.99Å; L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 3.09Å; L304-R331 HydrophobicContact CD2-CG 3.92Å; L304-R331 WeakPolarHBondContact CD2-O 3.22Å; L304-L335 HydrophobicContact CD2-CB 4.34Å; L304-A336 HydrophobicContact CD2-CB 4.45Å |
| 305 | H | 91.8 | Very high | 93.1 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 44% | 0.444 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -31.8 | 177.1 | -72.9 | -73.2 | 0 | 0 | 0 | 112.7 | V301 L303 | V301-H305 HydrophobicContact CB-CB 4.23Å; V301-H305 HydrophobicContact CG1-CB 3.84Å; V301-H305 HydrophobicContact CG2-CB 3.57Å; V301-H305 PolarHBondContact O-CD2 3.46Å; V301-H305 VanDerWaalsContact O-CD2 3.25Å; L303-H305 PolarHBondContact O-N 2.86Å |
| 306 | T | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -54.2 | 174.3 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | F289 P299 G302 L303 L304 A308 R309 Y310 | F289-T306 HydrophobicContact CD1-CG2 4.47Å; F289-T306 HydrophobicContact CD2-CG2 4.36Å; F289-T306 HydrophobicContact CE1-CG2 4.16Å; F289-T306 HydrophobicContact CE2-CG2 4.05Å; F289-T306 HydrophobicContact CZ-CG2 3.95Å; P299-T306 WeakPolarHBondContact CD-OG1 3.27Å; P299-T306 HydrophobicContact CG-CG2 4.26Å; G302-T306 WeakPolarHBondContact O-CB 3.3Å; G302-T306 PolarHBondContact O-N 3.26Å; G302-T306 PolarHBondContact O-OG1 2.91Å; L303-T306 WeakPolarHBondContact O-CB 3.47Å; L303-T306 PolarHBondContact O-N 2.93Å; L303-T306 VanDerWaalsContact O-N 3.08Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 2.73Å; T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3.24Å; T306-R309 WeakPolarHBondContact O-CB 3.19Å; T306-R309 PolarHBondContact O-N 2.98Å; T306-R309 VanDerWaalsContact O-N 3.16Å; T306-R309 PolarHBondContact OG1-NH2 2.87Å; T306-Y310 WeakPolarHBondContact O-CD2 3.47Å |
| 307 | V | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -31.8 | 179.8 | 180 | 0 | 0 | 0 | 0 | 111.9 | V263 L303 L304 R309 Y310 Y313 N332 A336 A338 | V263-V307 HydrophobicContact CG2-CG2 4.05Å; L303-V307 HydrophobicContact CD2-CG2 3.89Å; L303-V307 HydrophobicContact CG-CG2 4.5Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.41Å; L304-V307 PolarHBondContact O-N 2.99Å; V307-R309 PolarHBondContact O-N 3.18Å; V307-Y310 PolarHBondContact O-N 3.12Å; V307-Y313 HydrophobicContact CB-CD2 4.33Å; V307-Y313 HydrophobicContact CG1-CD2 3.57Å; V307-Y313 HydrophobicContact CG1-CE2 4.38Å; V307-Y313 HydrophobicContact CG1-CG 3.8Å; V307-Y313 HydrophobicContact CG2-CD2 3.72Å; V307-Y313 HydrophobicContact CG2-CE2 3.76Å; V307-N332 WeakPolarHBondContact CG1-O 3.42Å; V307-A336 HydrophobicContact CB-CB 3.81Å; V307-A336 HydrophobicContact CG1-CB 3.77Å; V307-A338 HydrophobicContact CG1-CB 3.9Å |
| 308 | A | 94.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 5% | 0.05 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -21.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L249 P252 K256 L304 T306 Y310 A336 | L249-A308 HydrophobicContact CD1-CB 3.52Å; P252-A308 HydrophobicContact CG-CB 4.48Å; K256-A308 WeakPolarHBondContact CD-O 3.03Å; K256-A308 PolarHBondContact NZ-O 3.1Å; L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 3.09Å; T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3.24Å; A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 PolarHBondContact O-N 3.38Å; A308-A336 VanDerWaalsContact CA-O 3.24Å; A308-A336 WeakPolarHBondContact CA-O 3.34Å; A308-A336 HydrophobicContact CB-CB 4.38Å; A308-A336 VanDerWaalsContact CB-O 3.27Å; A308-A336 WeakPolarHBondContact CB-O 3.35Å |
| 309 | R | 94.7 | Very high | 94.5 | Very high | 94 Ų | 94 | 30.2 Ų | 30.2 | 36% | 0.355 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -1.8 | 174.8 | -63.6 | -179.8 | -75.6 | -172.9 | -2 | 113.7 | K256 R257 G258 T306 V307 | K256-R309 CarbonylContact C-O 3.29Å; K256-R309 WeakPolarHBondContact CA-O 3.46Å; R257-R309 PolarHBondContact N-O 2.87Å; G258-R309 PolarHBondContact N-O 3.46Å; T306-R309 WeakPolarHBondContact O-CB 3.19Å; T306-R309 PolarHBondContact O-N 2.98Å; T306-R309 VanDerWaalsContact O-N 3.16Å; T306-R309 PolarHBondContact OG1-NH2 2.87Å; V307-R309 PolarHBondContact O-N 3.18Å |
| 310 | Y | 97.1 | Very high | 94.8 | Very high | 22 Ų | 22 | 32.2 Ų | 32.2 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.3 | -178.5 | -70.3 | -97.3 | 0 | 0 | 0 | 112.4 | K256 G258 V260 A261 D287 F289 T306 V307 A308 | K256-Y310 WeakPolarHBondContact CD-O 3.41Å; K256-Y310 VanDerWaalsContact CE-O 3.26Å; K256-Y310 WeakPolarHBondContact CE-O 3.35Å; K256-Y310 PolarHBondContact NZ-O 2.59Å; G258-Y310 VanDerWaalsContact O-CA 3.32Å; G258-Y310 WeakPolarHBondContact O-CA 3.42Å; V260-Y310 VanDerWaalsContact C-CD1 3.5Å; A261-Y310 HydrophobicContact CB-CD1 3.54Å; A261-Y310 HydrophobicContact CB-CD2 3.58Å; A261-Y310 HydrophobicContact CB-CE1 3.91Å; A261-Y310 HydrophobicContact CB-CE2 3.95Å; A261-Y310 HydrophobicContact CB-CG 3.37Å; D287-Y310 HydrophobicContact CB-CE1 3.76Å; D287-Y310 WeakPolarHBondContact CB-OH 3.11Å; D287-Y310 WeakPolarHBondContact OD2-CE1 3.47Å; D287-Y310 VanDerWaalsContact OD2-CZ 3.26Å; D287-Y310 PolarHBondContact OD2-OH 3.19Å; F289-Y310 AromaticContact CE2-CE2 3.94Å; F289-Y310 HydrophobicContact CE2-CE2 3.94Å; F289-Y310 AromaticContact CE2-CZ 3.87Å; F289-Y310 HydrophobicContact CZ-CE2 4.19Å; F289-Y310 WeakPolarHBondContact CZ-OH 3.31Å; T306-Y310 WeakPolarHBondContact O-CD2 3.47Å; V307-Y310 PolarHBondContact O-N 3.12Å; A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 PolarHBondContact O-N 3.38Å |
| 311 | K | 97.3 | Very high | 95.4 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | -45.8 | 176.6 | -74 | -172.9 | 176.7 | 178 | 0 | 111 | K256 G258 L259 V339 D379 Y385 | K256-K311 HydrophobicContact CB-CG 4.13Å; K256-K311 HydrophobicContact CD-CG 4.3Å; K256-K311 HydrophobicContact CG-CG 4.25Å; G258-K311 PolarHBondContact O-N 3.24Å; G258-K311 VanDerWaalsContact O-N 3.1Å; L259-K311 HydrophobicContact CD1-CD 4.42Å; L259-K311 PolarHBondContact O-N 3.26Å; K311-V339 PolarHBondContact O-N 3.12Å; K311-D379 VanDerWaalsContact CD-OD1 3.26Å; K311-D379 WeakPolarHBondContact CD-OD1 3.36Å; K311-D379 VanDerWaalsContact CE-OD1 3.26Å; K311-D379 WeakPolarHBondContact CE-OD1 3.37Å; K311-D379 PolarHBondContact NZ-O 3.46Å; K311-D379 IonicContact NZ-OD1 3.23Å; K311-D379 PolarHBondContact NZ-OD1 3.27Å; K311-Y385 WeakPolarHBondContact CA-OH 3.43Å; K311-Y385 HydrophobicContact CB-CE2 3.88Å; K311-Y385 HydrophobicContact CD-CE2 4.5Å; K311-Y385 HydrophobicContact CG-CE2 4.29Å; K311-Y385 PolarHBondContact O-OH 2.9Å |
| 312 | F | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.2 | -177.6 | -54.7 | -74.7 | 0 | 0 | 0 | 111.4 | L259 V260 A261 V339 V341 I360 L375 L378 Y385 | L259-F312 HydrophobicContact CD1-CD2 3.91Å; L259-F312 HydrophobicContact CD1-CE2 3.81Å; L259-F312 HydrophobicContact CG-CD2 4.42Å; L259-F312 WeakPolarHBondContact O-CD2 3.18Å; L259-F312 PolarHBondContact O-N 3.03Å; V260-F312 WeakPolarHBondContact CA-O 3.41Å; V260-F312 HydrophobicContact CG1-CB 4.37Å; V260-F312 HydrophobicContact CG2-CB 4.26Å; V260-F312 HydrophobicContact CG2-CD2 4.38Å; A261-F312 PolarHBondContact N-O 3.21Å; F312-V339 WeakPolarHBondContact CA-O 3.27Å; F312-V339 HydrophobicContact CD1-CB 3.81Å; F312-V339 HydrophobicContact CD1-CG1 4.16Å; F312-V339 HydrophobicContact CE1-CB 4.02Å; F312-V339 HydrophobicContact CE1-CG1 4.22Å; F312-V341 HydrophobicContact CB-CG2 4.14Å; F312-V341 HydrophobicContact CD1-CG2 4.28Å; F312-I360 HydrophobicContact CD1-CD1 4.1Å; F312-I360 HydrophobicContact CE1-CD1 3.79Å; F312-L375 HydrophobicContact CD1-CD2 3.73Å; F312-L375 HydrophobicContact CD2-CB 4.3Å; F312-L375 HydrophobicContact CD2-CD2 4.08Å; F312-L375 HydrophobicContact CE1-CD2 3.76Å; F312-L375 HydrophobicContact CE2-CB 4.09Å; F312-L375 HydrophobicContact CE2-CD2 4.1Å; F312-L375 HydrophobicContact CG-CD2 3.91Å; F312-L375 HydrophobicContact CZ-CD2 3.96Å; F312-L378 HydrophobicContact CE1-CD1 3.8Å; F312-L378 HydrophobicContact CZ-CB 3.71Å; F312-L378 HydrophobicContact CZ-CD1 3.77Å; F312-L378 HydrophobicContact CZ-CG 4.42Å; F312-Y385 HydrophobicContact CE1-CD2 4.06Å; F312-Y385 AromaticContact CE1-CE2 3.95Å; F312-Y385 HydrophobicContact CE1-CE2 3.95Å; F312-Y385 AromaticContact CZ-CD2 3.86Å; F312-Y385 HydrophobicContact CZ-CD2 3.86Å; F312-Y385 AromaticContact CZ-CE2 3.96Å; F312-Y385 HydrophobicContact CZ-CE2 3.96Å |
| 313 | Y | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.7 | 170.9 | 177.9 | -102.7 | 0 | 0 | 0 | 109.5 | A261 V263 V307 A315 K328 N332 A333 V339 P340 V341 | A261-Y313 HydrophobicContact CB-CD2 4.47Å; A261-Y313 CarbonylContact O-C 3.4Å; A261-Y313 WeakPolarHBondContact O-CA 3.42Å; V263-Y313 HydrophobicContact CB-CE2 4.04Å; V263-Y313 HydrophobicContact CG2-CE2 3.87Å; V307-Y313 HydrophobicContact CB-CD2 4.33Å; V307-Y313 HydrophobicContact CG1-CD2 3.57Å; V307-Y313 HydrophobicContact CG1-CE2 4.38Å; V307-Y313 HydrophobicContact CG1-CG 3.8Å; V307-Y313 HydrophobicContact CG2-CD2 3.72Å; V307-Y313 HydrophobicContact CG2-CE2 3.76Å; Y313-A315 HydrophobicContact CD1-CB 3.98Å; Y313-A315 HydrophobicContact CE1-CB 4.14Å; Y313-A315 PolarHBondContact O-N 3.13Å; Y313-K328 HydrophobicContact CE1-CB 4.37Å; Y313-K328 WeakPolarHBondContact CE1-O 3.47Å; Y313-N332 HydrophobicContact CD1-CB 4.26Å; Y313-N332 HydrophobicContact CE1-CB 3.53Å; Y313-N332 HydrophobicContact CE2-CB 4.35Å; Y313-N332 PolarHBondContact OH-ND2 3.15Å; Y313-N332 VanDerWaalsContact OH-ND2 3.12Å; Y313-A333 HydrophobicContact CD1-CB 3.9Å; Y313-A333 HydrophobicContact CG-CB 4.49Å; Y313-V339 PolarHBondContact N-O 2.95Å; Y313-P340 WeakPolarHBondContact O-CA 3.3Å; Y313-V341 PolarHBondContact O-N 3.1Å |
| 314 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 94.6 | 173.1 | -57 | -169.6 | 0 | 0 | 0 | 109 | V260 A261 W262 L280 V286 F316 V341 | V260-L314 HydrophobicContact CG1-CD1 4.3Å; V260-L314 HydrophobicContact CG1-CD2 3.59Å; V260-L314 HydrophobicContact CG1-CG 3.7Å; A261-L314 PolarHBondContact O-N 3.38Å; W262-L314 HydrophobicContact CB-CB 3.92Å; W262-L314 HydrophobicContact CB-CD1 3.98Å; W262-L314 HydrophobicContact CB-CG 4.12Å; W262-L314 HydrophobicContact CD2-CD1 4.4Å; W262-L314 HydrophobicContact CG-CB 3.81Å; W262-L314 HydrophobicContact CG-CD1 4.13Å; W262-L314 HydrophobicContact CG-CG 4.4Å; L280-L314 HydrophobicContact CD2-CD1 4.17Å; L280-L314 HydrophobicContact CD2-CD2 4.06Å; V286-L314 HydrophobicContact CG1-CD1 3.81Å; L314-F316 HydrophobicContact CB-CD1 4.11Å; L314-F316 HydrophobicContact CB-CD2 4.21Å; L314-F316 HydrophobicContact CB-CE1 4.14Å; L314-F316 HydrophobicContact CB-CE2 4.23Å; L314-F316 HydrophobicContact CB-CG 4.17Å; L314-F316 HydrophobicContact CB-CZ 4.21Å; L314-F316 HydrophobicContact CD1-CD2 4.35Å; L314-F316 HydrophobicContact CD1-CE2 3.81Å; L314-F316 HydrophobicContact CD1-CZ 4.06Å; L314-F316 HydrophobicContact CD2-CE1 4.13Å; L314-F316 HydrophobicContact CD2-CE2 4.46Å; L314-F316 HydrophobicContact CD2-CZ 3.89Å; L314-F316 HydrophobicContact CG-CE2 4.39Å; L314-F316 HydrophobicContact CG-CZ 4.27Å; L314-F316 PolarHBondContact O-N 2.89Å; L314-V341 CarbonylContact C-O 3.58Å; L314-V341 HydrophobicContact CD2-CB 3.81Å; L314-V341 HydrophobicContact CD2-CG1 4.08Å; L314-V341 HydrophobicContact CD2-CG2 4.3Å |
| 315 | A | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 58.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y313 K328 P340 V341 V342 | Y313-A315 HydrophobicContact CD1-CB 3.98Å; Y313-A315 HydrophobicContact CE1-CB 4.14Å; Y313-A315 PolarHBondContact O-N 3.13Å; A315-K328 HydrophobicContact CB-CB 4.04Å; A315-P340 HydrophobicContact CB-CB 4.05Å; A315-V341 PolarHBondContact N-O 3.13Å; A315-V342 HydrophobicContact CB-CG1 4.19Å |
| 316 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.3 | -174.6 | -66.9 | -5.5 | 0 | 0 | 0 | 112.3 | W262 R273 Y276 L314 K328 V341 L343 V362 | W262-F316 HydrophobicContact CZ2-CD2 4.5Å; R273-F316 HydrophobicContact CB-CB 3.65Å; R273-F316 HydrophobicContact CB-CD2 3.9Å; R273-F316 HydrophobicContact CB-CG 4.19Å; R273-F316 PolarHBondContact NH1-O 3.34Å; Y276-F316 AromaticContact CD1-CE2 3.9Å; Y276-F316 HydrophobicContact CD1-CE2 3.9Å; Y276-F316 AromaticContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CE1-CZ 4.18Å; L314-F316 HydrophobicContact CB-CD1 4.11Å; L314-F316 HydrophobicContact CB-CD2 4.21Å; L314-F316 HydrophobicContact CB-CE1 4.14Å; L314-F316 HydrophobicContact CB-CE2 4.23Å; L314-F316 HydrophobicContact CB-CG 4.17Å; L314-F316 HydrophobicContact CB-CZ 4.21Å; L314-F316 HydrophobicContact CD1-CD2 4.35Å; L314-F316 HydrophobicContact CD1-CE2 3.81Å; L314-F316 HydrophobicContact CD1-CZ 4.06Å; L314-F316 HydrophobicContact CD2-CE1 4.13Å; L314-F316 HydrophobicContact CD2-CE2 4.46Å; L314-F316 HydrophobicContact CD2-CZ 3.89Å; L314-F316 HydrophobicContact CG-CE2 4.39Å; L314-F316 HydrophobicContact CG-CZ 4.27Å; L314-F316 PolarHBondContact O-N 2.89Å; F316-K328 WeakPolarHBondContact O-CD 3.2Å; F316-K328 WeakPolarHBondContact O-CE 3.22Å; F316-V341 WeakPolarHBondContact CD1-O 3.23Å; F316-V341 HydrophobicContact CE1-CG1 4.14Å; F316-V341 WeakPolarHBondContact CE1-O 3.43Å; F316-L343 HydrophobicContact CB-CB 4.29Å; F316-L343 HydrophobicContact CD1-CB 3.41Å; F316-L343 VanDerWaalsContact CD1-CB 3.41Å; F316-L343 HydrophobicContact CE1-CB 3.73Å; F316-L343 HydrophobicContact CG-CB 3.85Å; F316-L343 HydrophobicContact CZ-CB 4.4Å; F316-V362 HydrophobicContact CE1-CG1 3.88Å; F316-V362 HydrophobicContact CZ-CG1 4Å |
| 317 | E | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -69.1 | 151.2 | 176.5 | -61 | -59.6 | 168.7 | 0 | 0 | 112.3 | R273 S319 Y324 T326 K328 L343 | R273-E317 WeakPolarHBondContact CD-O 3.46Å; E317-S319 VanDerWaalsContact CB-O 3.31Å; E317-S319 WeakPolarHBondContact CB-O 3.08Å; E317-S319 PolarHBondContact O-N 3.1Å; E317-Y324 HydrophobicContact CB-CD1 4.15Å; E317-Y324 HydrophobicContact CB-CE1 4.19Å; E317-Y324 HydrophobicContact CG-CD1 4.29Å; E317-Y324 WeakPolarHBondContact CG-O 3.39Å; E317-T326 WeakPolarHBondContact OE1-CB 3.36Å; E317-T326 PolarHBondContact OE1-N 2.93Å; E317-T326 PolarHBondContact OE1-OG1 3.46Å; E317-T326 VanDerWaalsContact OE2-CG2 3.25Å; E317-T326 WeakPolarHBondContact OE2-CG2 3.29Å; E317-T326 PolarHBondContact OE2-OG1 2.84Å; E317-K328 WeakPolarHBondContact OE2-CD 3.28Å; E317-K328 WeakPolarHBondContact OE2-CE 3.38Å; E317-K328 IonicContact OE2-NZ 2.64Å; E317-K328 PolarHBondContact OE2-NZ 2.65Å; E317-L343 PolarHBondContact N-O 3.44Å | ||
| 318 | N | 95.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 13% | 0.128 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -70.9 | -13.2 | 179.9 | 62.7 | -3.2 | 0 | 0 | 0 | 113 | H205 Y324 | H205-N318 PolarHBondContact CE1-ND2 3.45Å; H205-N318 VanDerWaalsContact CE1-ND2 3.33Å; H205-N318 PolarHBondContact ND1-ND2 3.03Å; N318-Y324 WeakPolarHBondContact OD1-CE1 3.44Å; N318-Y324 PolarHBondContact OD1-OH 3.13Å |
| 319 | S | 95.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -158.4 | 164 | 178.4 | 56.3 | 0 | 0 | 0 | 0 | 109.6 | S202 E317 H321 | S202-S319 WeakPolarHBondContact CB-OG 3.34Å; S202-S319 PolarHBondContact OG-OG 3.06Å; E317-S319 VanDerWaalsContact CB-O 3.31Å; E317-S319 WeakPolarHBondContact CB-O 3.08Å; E317-S319 PolarHBondContact O-N 3.1Å; S319-H321 PolarHBondContact OG-CD2 3.28Å |
| 320 | Q | 96.7 | Very high | 97.7 | Very high | 91 Ų | 91 | 18.1 Ų | 18.1 | 43% | 0.425 | 9% | 0.089 | S | C | . | . | trans | -112.2 | 96.8 | -174.8 | -66.4 | 75.6 | 78.6 | 0 | 0 | 107.6 | A272 L343 G344 | A272-Q320 VanDerWaalsContact CB-OE1 3.23Å; Q320-L343 HydrophobicContact CG-CD2 4.35Å; Q320-G344 VanDerWaalsContact CB-O 3.25Å; Q320-G344 WeakPolarHBondContact CB-O 3.3Å; Q320-G344 WeakPolarHBondContact CG-O 3.27Å | ||
| 321 | H | 97.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 21.7 Ų | 21.7 | 17% | 0.171 | 10% | 0.102 | C | C | . | . | trans | -135.8 | 146.5 | -178.9 | -72.5 | -75.8 | 0 | 0 | 0 | 110 | P203 S204 S319 D323 Y324 P345 | P203-H321 HydrophobicContact CG-CB 4.4Å; S204-H321 PolarHBondContact N-NE2 3.18Å; S204-H321 PolarHBondContact OG-NE2 2.84Å; S319-H321 PolarHBondContact OG-CD2 3.28Å; H321-D323 PolarHBondContact O-N 3.28Å; H321-Y324 VanDerWaalsContact O-CB 3.3Å; H321-Y324 WeakPolarHBondContact O-CB 3.35Å; H321-Y324 PolarHBondContact O-N 3.09Å; H321-Y324 VanDerWaalsContact O-N 3.11Å; H321-P345 WeakPolarHBondContact O-CB 3.3Å | ||
| 322 | V | 97.1 | Very high | 97.6 | Very high | 60 Ų | 60 | 20.5 Ų | 20.5 | 36% | 0.364 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 134.3 | 179 | 68.1 | 0 | 0 | 0 | 0 | 111 | Y223 Y324 N349 | Y223-V322 WeakPolarHBondContact CE2-O 3.03Å; V322-Y324 PolarHBondContact O-N 3.47Å; V322-N349 WeakPolarHBondContact CG2-ND2 3.3Å |
| 323 | D | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 20.5 Ų | 20.5 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -0.5 | 179.1 | -53 | -19.4 | 0 | 0 | 0 | 115.7 | Y223 T225 H321 I325 N349 R352 F353 | Y223-D323 HydrophobicContact CD2-CB 4.28Å; Y223-D323 WeakPolarHBondContact CD2-O 3.31Å; T225-D323 VanDerWaalsContact CB-OD2 3.31Å; T225-D323 WeakPolarHBondContact CB-OD2 3.25Å; T225-D323 WeakPolarHBondContact CG2-OD2 3.44Å; T225-D323 PolarHBondContact N-OD2 2.95Å; T225-D323 PolarHBondContact OG1-OD2 2.78Å; H321-D323 PolarHBondContact O-N 3.28Å; D323-I325 VanDerWaalsContact C-N 3.31Å; D323-I325 PolarHBondContact O-N 2.64Å; D323-N349 WeakPolarHBondContact CA-OD1 3.13Å; D323-N349 PolarHBondContact N-ND2 3.34Å; D323-N349 PolarHBondContact N-OD1 2.74Å; D323-N349 PolarHBondContact OD1-ND2 2.69Å; D323-R352 IonicContact OD1-CZ 3.7Å; D323-R352 IonicContact OD1-NH1 2.74Å; D323-R352 PolarHBondContact OD1-NH1 3.16Å; D323-R352 IonicContact OD2-NH1 3.87Å; D323-F353 HydrophobicContact CB-CE2 4.3Å; D323-F353 HydrophobicContact CB-CZ 3.95Å; D323-F353 WeakPolarHBondContact OD1-CZ 3.46Å |
| 324 | Y | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | trans | -78.3 | 79.3 | -177.2 | -171.5 | -116.5 | 0 | 0 | 0 | 111.6 | Y223 Y233 E317 N318 H321 V322 T326 | Y223-Y324 AromaticContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CE2 4.29Å; Y223-Y324 HydrophobicContact CD2-CD2 4.12Å; Y223-Y324 AromaticContact CE1-CD2 3.41Å; Y223-Y324 HydrophobicContact CE1-CD2 3.41Å; Y223-Y324 VanDerWaalsContact CE1-CD2 3.41Å; Y223-Y324 AromaticContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CG 4.41Å; Y223-Y324 AromaticContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CG 4.13Å; Y223-Y324 HydrophobicContact CG-CD2 4.17Å; Y223-Y324 AromaticContact CZ-CD2 3.38Å; Y223-Y324 AromaticContact CZ-CG 3.96Å; Y233-Y324 HydrophobicContact CE2-CE2 4.42Å; E317-Y324 HydrophobicContact CB-CD1 4.15Å; E317-Y324 HydrophobicContact CB-CE1 4.19Å; E317-Y324 HydrophobicContact CG-CD1 4.29Å; E317-Y324 WeakPolarHBondContact CG-O 3.39Å; N318-Y324 WeakPolarHBondContact OD1-CE1 3.44Å; N318-Y324 PolarHBondContact OD1-OH 3.13Å; H321-Y324 VanDerWaalsContact O-CB 3.3Å; H321-Y324 WeakPolarHBondContact O-CB 3.35Å; H321-Y324 PolarHBondContact O-N 3.09Å; H321-Y324 VanDerWaalsContact O-N 3.11Å; V322-Y324 PolarHBondContact O-N 3.47Å; Y324-T326 HydrophobicContact CD1-CG2 4.29Å; Y324-T326 HydrophobicContact CD2-CG2 4Å; Y324-T326 HydrophobicContact CE1-CG2 3.86Å; Y324-T326 HydrophobicContact CE2-CG2 3.57Å; Y324-T326 HydrophobicContact CG-CG2 4.37Å | ||
| 325 | I | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | trans | -121.1 | 108.8 | -178.8 | -58.7 | 172.6 | 0 | 0 | 0 | 108.6 | D323 L329 W330 P345 Y350 F353 | D323-I325 VanDerWaalsContact C-N 3.31Å; D323-I325 PolarHBondContact O-N 2.64Å; I325-L329 HydrophobicContact CG2-CB 3.75Å; I325-L329 HydrophobicContact CG2-CD2 3.31Å; I325-L329 HydrophobicContact CG2-CG 4.14Å; I325-W330 HydrophobicContact CG2-CZ2 4.4Å; I325-W330 PolarHBondContact O-NE1 3.2Å; I325-P345 HydrophobicContact CD1-CG 4.28Å; I325-P345 HydrophobicContact CG1-CG 3.83Å; I325-Y350 HydrophobicContact CB-CE1 4.37Å; I325-Y350 HydrophobicContact CD1-CD1 3.52Å; I325-Y350 HydrophobicContact CD1-CE1 3.77Å; I325-Y350 HydrophobicContact CD1-CG 4.05Å; I325-Y350 HydrophobicContact CG1-CD1 3.99Å; I325-Y350 HydrophobicContact CG1-CE1 3.67Å; I325-Y350 HydrophobicContact CG2-CD1 4.36Å; I325-Y350 HydrophobicContact CG2-CE1 3.86Å; I325-F353 HydrophobicContact CD1-CD2 3.51Å; I325-F353 HydrophobicContact CD1-CE2 4.02Å; I325-F353 HydrophobicContact CD1-CG 4.26Å | ||
| 326 | T | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -104.7 | -166.1 | -162.5 | 71.8 | 0 | 0 | 0 | 0 | 114 | Y233 E317 Y324 K328 L329 W330 | Y233-T326 HydrophobicContact CD2-CG2 4.13Å; Y233-T326 HydrophobicContact CE1-CG2 4.44Å; Y233-T326 HydrophobicContact CE2-CG2 3.91Å; Y233-T326 HydrophobicContact CG-CG2 4.5Å; E317-T326 WeakPolarHBondContact OE1-CB 3.36Å; E317-T326 PolarHBondContact OE1-N 2.93Å; E317-T326 PolarHBondContact OE1-OG1 3.46Å; E317-T326 VanDerWaalsContact OE2-CG2 3.25Å; E317-T326 WeakPolarHBondContact OE2-CG2 3.29Å; E317-T326 PolarHBondContact OE2-OG1 2.84Å; Y324-T326 HydrophobicContact CD1-CG2 4.29Å; Y324-T326 HydrophobicContact CD2-CG2 4Å; Y324-T326 HydrophobicContact CE1-CG2 3.86Å; Y324-T326 HydrophobicContact CE2-CG2 3.57Å; Y324-T326 HydrophobicContact CG-CG2 4.37Å; T326-K328 PolarHBondContact O-N 3.41Å; T326-K328 PolarHBondContact OG1-N 2.82Å; T326-K328 PolarHBondContact OG1-NZ 2.88Å; T326-L329 PolarHBondContact O-N 2.87Å; T326-W330 PolarHBondContact O-N 3.18Å | ||
| 327 | E | 97.4 | Very high | 96.6 | Very high | 66 Ų | 66 | 21.3 Ų | 21.3 | 31% | 0.308 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -53.4 | -21.3 | 173.7 | 79.4 | -65.3 | 152.3 | 0 | 0 | 113.4 | R331 N332 | E327-R331 HydrophobicContact CB-CB 4.13Å; E327-R331 CarbonylContact O-C 3.57Å; E327-R331 WeakPolarHBondContact O-CA 3.3Å; E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 3.21Å; E327-N332 PolarHBondContact O-N 3.16Å |
| 328 | K | 97.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 21.4 Ų | 21.4 | 9% | 0.087 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -61.3 | -45 | 178.8 | -64.3 | 174.7 | -156.5 | 62 | 0 | 111.8 | Y313 A315 F316 E317 T326 A333 | Y313-K328 HydrophobicContact CE1-CB 4.37Å; Y313-K328 WeakPolarHBondContact CE1-O 3.47Å; A315-K328 HydrophobicContact CB-CB 4.04Å; F316-K328 WeakPolarHBondContact O-CD 3.2Å; F316-K328 WeakPolarHBondContact O-CE 3.22Å; E317-K328 WeakPolarHBondContact OE2-CD 3.28Å; E317-K328 WeakPolarHBondContact OE2-CE 3.38Å; E317-K328 IonicContact OE2-NZ 2.64Å; E317-K328 PolarHBondContact OE2-NZ 2.65Å; T326-K328 PolarHBondContact O-N 3.41Å; T326-K328 PolarHBondContact OG1-N 2.82Å; T326-K328 PolarHBondContact OG1-NZ 2.88Å; K328-A333 PolarHBondContact O-N 3.5Å; K328-A333 VanDerWaalsContact O-N 3.16Å |
| 329 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -74.9 | -57.8 | 174.2 | -175.5 | 76.8 | 0 | 0 | 0 | 110.1 | I325 T326 A333 F334 P340 V342 Y350 V354 | I325-L329 HydrophobicContact CG2-CB 3.75Å; I325-L329 HydrophobicContact CG2-CD2 3.31Å; I325-L329 HydrophobicContact CG2-CG 4.14Å; T326-L329 PolarHBondContact O-N 2.87Å; L329-A333 WeakPolarHBondContact O-CB 3.44Å; L329-A333 PolarHBondContact O-N 2.68Å; L329-F334 HydrophobicContact CD1-CE1 4.13Å; L329-F334 HydrophobicContact CD1-CZ 4.1Å; L329-F334 HydrophobicContact CD2-CE2 4.25Å; L329-F334 HydrophobicContact CD2-CZ 4.32Å; L329-F334 HydrophobicContact CG-CE1 4.49Å; L329-F334 HydrophobicContact CG-CE2 4.21Å; L329-F334 HydrophobicContact CG-CZ 4.17Å; L329-F334 PolarHBondContact O-N 2.76Å; L329-P340 HydrophobicContact CD1-CB 3.64Å; L329-P340 HydrophobicContact CD1-CG 3.54Å; L329-V342 HydrophobicContact CD1-CG1 3.79Å; L329-Y350 HydrophobicContact CD2-CD1 4.27Å; L329-Y350 HydrophobicContact CD2-CE1 4.24Å; L329-V354 HydrophobicContact CD2-CG1 4.07Å |
| 330 | W | 97.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -70.5 | -57.4 | -166 | -59.3 | 113.5 | 0 | 0 | 0 | 112.5 | G234 L236 I325 T326 F334 L335 F353 V354 V397 I399 | G234-W330 WeakPolarHBondContact O-CZ2 2.97Å; G234-W330 PolarHBondContact O-NE1 2.94Å; L236-W330 HydrophobicContact CD2-CZ3 3.96Å; L236-W330 HydrophobicContact CG-CH2 4.44Å; L236-W330 HydrophobicContact CG-CZ3 3.96Å; I325-W330 HydrophobicContact CG2-CZ2 4.4Å; I325-W330 PolarHBondContact O-NE1 3.2Å; T326-W330 PolarHBondContact O-N 3.18Å; W330-F334 AromaticContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CE2 4.11Å; W330-F334 HydrophobicContact CZ3-CD2 4.16Å; W330-F334 AromaticContact CZ3-CE2 3.96Å; W330-F334 HydrophobicContact CZ3-CE2 3.96Å; W330-F334 WeakPolarHBondContact O-CB 3.25Å; W330-L335 PolarHBondContact O-N 3.19Å; W330-F353 HydrophobicContact CH2-CB 4.34Å; W330-F353 HydrophobicContact CZ2-CB 4.23Å; W330-V354 HydrophobicContact CH2-CG1 3.42Å; W330-V354 VanDerWaalsContact CH2-CG1 3.42Å; W330-V354 HydrophobicContact CZ2-CG1 4.2Å; W330-V354 HydrophobicContact CZ3-CG1 3.8Å; W330-V397 HydrophobicContact CE3-CG1 4.06Å; W330-I399 HydrophobicContact CB-CD1 3.53Å |
| 331 | R | 95.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 15.7 Ų | 15.7 | 36% | 0.362 | 7% | 0.074 | S | C | . | . | I | π-helix | trans | -82.2 | -53.4 | -175.8 | -177.2 | 176.7 | -177.6 | -77.5 | 2 | 110.8 | L304 E327 L335 I399 | L304-R331 HydrophobicContact CD2-CG 3.92Å; L304-R331 WeakPolarHBondContact CD2-O 3.22Å; E327-R331 HydrophobicContact CB-CB 4.13Å; E327-R331 CarbonylContact O-C 3.57Å; E327-R331 WeakPolarHBondContact O-CA 3.3Å; E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 3.21Å; R331-L335 HydrophobicContact CG-CD1 4.48Å; R331-L335 WeakPolarHBondContact O-CB 3.37Å; R331-I399 HydrophobicContact CB-CD1 4.09Å |
| 332 | N | 96.3 | Very high | 96.9 | Very high | 7 Ų | 7 | 14 Ų | 14 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -77.3 | -37.1 | -166.5 | -59.4 | -13.7 | 0 | 0 | 0 | 112.5 | L303 V307 Y313 E327 A336 | L303-N332 HydrophobicContact CD2-CB 3.81Å; L303-N332 VanDerWaalsContact CD2-CG 3.47Å; L303-N332 WeakPolarHBondContact CD2-OD1 3.36Å; V307-N332 WeakPolarHBondContact CG1-O 3.42Å; Y313-N332 HydrophobicContact CD1-CB 4.26Å; Y313-N332 HydrophobicContact CE1-CB 3.53Å; Y313-N332 HydrophobicContact CE2-CB 4.35Å; Y313-N332 PolarHBondContact OH-ND2 3.15Å; Y313-N332 VanDerWaalsContact OH-ND2 3.12Å; E327-N332 PolarHBondContact O-N 3.16Å; N332-A336 WeakPolarHBondContact O-CB 3.49Å |
| 333 | A | 97 | Very high | 97 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -91.8 | -63.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y313 K328 L329 A336 G337 A338 P340 | Y313-A333 HydrophobicContact CD1-CB 3.9Å; Y313-A333 HydrophobicContact CG-CB 4.49Å; K328-A333 PolarHBondContact O-N 3.5Å; K328-A333 VanDerWaalsContact O-N 3.16Å; L329-A333 WeakPolarHBondContact O-CB 3.44Å; L329-A333 PolarHBondContact O-N 2.68Å; A333-A336 PolarHBondContact O-N 2.96Å; A333-G337 PolarHBondContact O-N 3.02Å; A333-A338 PolarHBondContact O-N 2.85Å; A333-P340 HydrophobicContact CB-CB 3.62Å; A333-P340 HydrophobicContact CB-CG 4.14Å |
| 334 | F | 95.6 | Very high | 97 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.009 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -62.9 | -51.9 | -171.9 | -72.7 | -9.9 | 0 | 0 | 0 | 111.9 | L236 L329 W330 A336 G337 P340 V354 W391 R392 V397 | L236-F334 HydrophobicContact CD2-CD2 4.47Å; L236-F334 HydrophobicContact CD2-CE2 4.35Å; L329-F334 HydrophobicContact CD1-CE1 4.13Å; L329-F334 HydrophobicContact CD1-CZ 4.1Å; L329-F334 HydrophobicContact CD2-CE2 4.25Å; L329-F334 HydrophobicContact CD2-CZ 4.32Å; L329-F334 HydrophobicContact CG-CE1 4.49Å; L329-F334 HydrophobicContact CG-CE2 4.21Å; L329-F334 HydrophobicContact CG-CZ 4.17Å; L329-F334 PolarHBondContact O-N 2.76Å; W330-F334 AromaticContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CE2 4.11Å; W330-F334 HydrophobicContact CZ3-CD2 4.16Å; W330-F334 AromaticContact CZ3-CE2 3.96Å; W330-F334 HydrophobicContact CZ3-CE2 3.96Å; W330-F334 WeakPolarHBondContact O-CB 3.25Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.91Å; F334-G337 PolarHBondContact O-N 2.85Å; F334-P340 HydrophobicContact CD1-CG 4.02Å; F334-P340 HydrophobicContact CE1-CG 3.56Å; F334-V354 HydrophobicContact CE2-CB 4.4Å; F334-V354 HydrophobicContact CE2-CG1 3.66Å; F334-V354 HydrophobicContact CZ-CB 4.24Å; F334-V354 HydrophobicContact CZ-CG1 3.94Å; F334-W391 HydrophobicContact CB-CH2 4.16Å; F334-W391 HydrophobicContact CB-CZ2 4.27Å; F334-W391 HydrophobicContact CD1-CH2 4.4Å; F334-W391 AromaticContact CD1-CZ2 3.8Å; F334-W391 HydrophobicContact CD1-CZ2 3.8Å; F334-W391 AromaticContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CZ2 4.1Å; F334-W391 HydrophobicContact CE1-CZ2 4.03Å; F334-W391 HydrophobicContact CE2-CH2 4.38Å; F334-W391 HydrophobicContact CE2-CZ2 4.33Å; F334-W391 AromaticContact CG-CH2 3.95Å; F334-W391 HydrophobicContact CG-CH2 3.95Å; F334-W391 AromaticContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CZ-CZ2 4.31Å; F334-R392 PolarHBondContact O-NH2 3.29Å; F334-V397 HydrophobicContact CB-CG2 3.93Å; F334-V397 HydrophobicContact CD2-CG2 3.99Å; F334-V397 HydrophobicContact CG-CG2 4.42Å |
| 335 | L | 92.6 | Very high | 97 | Very high | 17 Ų | 17 | 11.9 Ų | 11.9 | 9% | 0.089 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -26.5 | 178.5 | -62.5 | -169.2 | 0 | 0 | 0 | 113.7 | S247 G248 L249 L304 W330 R331 G337 V397 I399 | S247-L335 VanDerWaalsContact O-CD2 3.26Å; S247-L335 WeakPolarHBondContact O-CD2 3.31Å; G248-L335 CarbonylContact C-O 3.59Å; G248-L335 WeakPolarHBondContact CA-O 3.18Å; L249-L335 PolarHBondContact N-O 2.65Å; L304-L335 HydrophobicContact CD2-CB 4.34Å; W330-L335 PolarHBondContact O-N 3.19Å; R331-L335 HydrophobicContact CG-CD1 4.48Å; R331-L335 WeakPolarHBondContact O-CB 3.37Å; L335-G337 PolarHBondContact O-N 3.26Å; L335-V397 HydrophobicContact CD2-CB 3.84Å; L335-V397 HydrophobicContact CD2-CG1 4.01Å; L335-I399 HydrophobicContact CD1-CD1 3.97Å; L335-I399 HydrophobicContact CD1-CG1 3.41Å; L335-I399 VanDerWaalsContact CD1-CG1 3.41Å; L335-I399 HydrophobicContact CD2-CG1 4.49Å; L335-I399 HydrophobicContact CG-CD1 4.08Å; L335-I399 HydrophobicContact CG-CG1 4.03Å |
| 336 | A | 93.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -9.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | L304 V307 A308 N332 A333 F334 A338 | L304-A336 HydrophobicContact CD2-CB 4.45Å; V307-A336 HydrophobicContact CB-CB 3.81Å; V307-A336 HydrophobicContact CG1-CB 3.77Å; A308-A336 VanDerWaalsContact CA-O 3.24Å; A308-A336 WeakPolarHBondContact CA-O 3.34Å; A308-A336 HydrophobicContact CB-CB 4.38Å; A308-A336 VanDerWaalsContact CB-O 3.27Å; A308-A336 WeakPolarHBondContact CB-O 3.35Å; N332-A336 WeakPolarHBondContact O-CB 3.49Å; A333-A336 PolarHBondContact O-N 2.96Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.91Å; A336-A338 VanDerWaalsContact C-N 3.33Å |
| 337 | G | 93.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 32.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K256 A333 F334 L335 | K256-G337 WeakPolarHBondContact CE-O 3.25Å; K256-G337 PolarHBondContact NZ-O 3.36Å; A333-G337 PolarHBondContact O-N 3.02Å; F334-G337 PolarHBondContact O-N 2.85Å; L335-G337 PolarHBondContact O-N 3.26Å |
| 338 | A | 96.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -100.1 | 151 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V307 A333 A336 P340 | V307-A338 HydrophobicContact CG1-CB 3.9Å; A333-A338 PolarHBondContact O-N 2.85Å; A336-A338 VanDerWaalsContact C-N 3.33Å; A338-P340 WeakPolarHBondContact O-CD 3.42Å |
| 339 | V | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.7 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | K311 F312 Y313 I360 Y385 Y388 F389 | K311-V339 PolarHBondContact O-N 3.12Å; F312-V339 WeakPolarHBondContact CA-O 3.27Å; F312-V339 HydrophobicContact CD1-CB 3.81Å; F312-V339 HydrophobicContact CD1-CG1 4.16Å; F312-V339 HydrophobicContact CE1-CB 4.02Å; F312-V339 HydrophobicContact CE1-CG1 4.22Å; Y313-V339 PolarHBondContact N-O 2.95Å; V339-I360 HydrophobicContact CG1-CD1 3.99Å; V339-I360 HydrophobicContact CG1-CG1 4.09Å; V339-Y385 HydrophobicContact CB-CE2 4.27Å; V339-Y385 HydrophobicContact CG2-CD2 4.11Å; V339-Y385 HydrophobicContact CG2-CE2 3.44Å; V339-Y385 VanDerWaalsContact CG2-CE2 3.44Å; V339-Y388 HydrophobicContact CG1-CD1 3.72Å; V339-Y388 HydrophobicContact CG1-CD2 4.36Å; V339-Y388 HydrophobicContact CG1-CE1 4.28Å; V339-Y388 HydrophobicContact CG1-CG 3.76Å; V339-Y388 HydrophobicContact CG2-CG 4.07Å; V339-F389 HydrophobicContact CG2-CE1 4.21Å; V339-F389 HydrophobicContact CG2-CE2 3.75Å; V339-F389 HydrophobicContact CG2-CZ 3.48Å; V339-F389 VanDerWaalsContact CG2-CZ 3.48Å |
| 340 | P | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.9 | 177.6 | 25.9 | -29.5 | 0 | 0 | 0 | 111.1 | Y313 A315 L329 A333 F334 A338 V342 S358 F359 I360 | Y313-P340 WeakPolarHBondContact O-CA 3.3Å; A315-P340 HydrophobicContact CB-CB 4.05Å; L329-P340 HydrophobicContact CD1-CB 3.64Å; L329-P340 HydrophobicContact CD1-CG 3.54Å; A333-P340 HydrophobicContact CB-CB 3.62Å; A333-P340 HydrophobicContact CB-CG 4.14Å; F334-P340 HydrophobicContact CD1-CG 4.02Å; F334-P340 HydrophobicContact CE1-CG 3.56Å; A338-P340 WeakPolarHBondContact O-CD 3.42Å; P340-V342 HydrophobicContact CB-CG1 3.92Å; P340-S358 WeakPolarHBondContact CD-O 3.13Å; P340-F359 HydrophobicContact CG-CB 3.76Å; P340-I360 PolarHBondContact O-N 3.27Å |
| 341 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 114 | 160.4 | -176 | 0 | 0 | 0 | 0 | 106.3 | F312 Y313 L314 A315 F316 I360 V362 L371 L375 | F312-V341 HydrophobicContact CB-CG2 4.14Å; F312-V341 HydrophobicContact CD1-CG2 4.28Å; Y313-V341 PolarHBondContact O-N 3.1Å; L314-V341 CarbonylContact C-O 3.58Å; L314-V341 HydrophobicContact CD2-CB 3.81Å; L314-V341 HydrophobicContact CD2-CG1 4.08Å; L314-V341 HydrophobicContact CD2-CG2 4.3Å; A315-V341 PolarHBondContact N-O 3.13Å; F316-V341 WeakPolarHBondContact CD1-O 3.23Å; F316-V341 HydrophobicContact CE1-CG1 4.14Å; F316-V341 WeakPolarHBondContact CE1-O 3.43Å; V341-I360 CarbonylContact C-O 3.56Å; V341-I360 VanDerWaalsContact CA-O 3.32Å; V341-I360 WeakPolarHBondContact CA-O 3.46Å; V341-I360 HydrophobicContact CG2-CB 4.33Å; V341-I360 HydrophobicContact CG2-CD1 4.45Å; V341-V362 HydrophobicContact CG1-CG1 4.25Å; V341-L371 HydrophobicContact CG1-CD1 4.3Å; V341-L371 HydrophobicContact CG1-CD2 3.95Å; V341-L375 HydrophobicContact CG2-CD1 4.38Å; V341-L375 HydrophobicContact CG2-CD2 3.99Å |
| 342 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 144.8 | -167.1 | -55.5 | 0 | 0 | 0 | 0 | 112 | A315 L329 P340 Y350 F359 I360 H361 V362 | A315-V342 HydrophobicContact CB-CG1 4.19Å; L329-V342 HydrophobicContact CD1-CG1 3.79Å; P340-V342 HydrophobicContact CB-CG1 3.92Å; V342-Y350 HydrophobicContact CB-CE1 4.03Å; V342-Y350 HydrophobicContact CB-CE2 4.03Å; V342-Y350 HydrophobicContact CG1-CE1 3.97Å; V342-Y350 HydrophobicContact CG2-CD1 4.47Å; V342-Y350 HydrophobicContact CG2-CD2 4.02Å; V342-Y350 HydrophobicContact CG2-CE1 4.21Å; V342-Y350 HydrophobicContact CG2-CE2 3.71Å; V342-Y350 HydrophobicContact CG2-CG 4.4Å; V342-F359 HydrophobicContact CG1-CB 4.28Å; V342-F359 HydrophobicContact CG1-CD2 4.42Å; V342-F359 HydrophobicContact CG2-CD2 3.58Å; V342-F359 HydrophobicContact CG2-CE2 4.03Å; V342-I360 PolarHBondContact N-O 3.24Å; V342-H361 HydrophobicContact CG2-CB 4.29Å; V342-H361 VanDerWaalsContact CG2-CD2 3.44Å; V342-H361 WeakPolarHBondContact CG2-CD2 3.39Å; V342-V362 WeakPolarHBondContact O-CG1 3.46Å; V342-V362 PolarHBondContact O-N 3.36Å |
| 343 | L | 98.6 | Very high | 97.2 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 112.8 | 169.5 | -178.6 | 155.7 | 0 | 0 | 0 | 106 | A272 R273 Y276 F316 E317 Q320 V362 | A272-L343 HydrophobicContact CB-CD2 4.23Å; R273-L343 HydrophobicContact CB-CD2 4.3Å; Y276-L343 HydrophobicContact CD1-CD1 4.4Å; Y276-L343 HydrophobicContact CD2-CD1 4.22Å; Y276-L343 HydrophobicContact CG-CD1 3.87Å; F316-L343 HydrophobicContact CB-CB 4.29Å; F316-L343 HydrophobicContact CD1-CB 3.41Å; F316-L343 VanDerWaalsContact CD1-CB 3.41Å; F316-L343 HydrophobicContact CE1-CB 3.73Å; F316-L343 HydrophobicContact CG-CB 3.85Å; F316-L343 HydrophobicContact CZ-CB 4.4Å; E317-L343 PolarHBondContact N-O 3.44Å; Q320-L343 HydrophobicContact CG-CD2 4.35Å; L343-V362 HydrophobicContact CB-CG1 4.22Å; L343-V362 HydrophobicContact CB-CG2 3.98Å; L343-V362 HydrophobicContact CD1-CG1 4.45Å; L343-V362 HydrophobicContact CD1-CG2 4.05Å; L343-V362 HydrophobicContact CG-CG2 4.04Å |
| 344 | G | 97.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 8% | 0.082 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -174.5 | -129.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q320 | Q320-G344 VanDerWaalsContact CB-O 3.25Å; Q320-G344 WeakPolarHBondContact CB-O 3.3Å; Q320-G344 WeakPolarHBondContact CG-O 3.27Å |
| 345 | P | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 5% | 0.045 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -61.7 | 170.5 | 167.2 | 27.5 | -33.7 | 0 | 0 | 0 | 111.7 | H321 I325 N349 Y350 H361 | H321-P345 WeakPolarHBondContact O-CB 3.3Å; I325-P345 HydrophobicContact CD1-CG 4.28Å; I325-P345 HydrophobicContact CG1-CG 3.83Å; P345-N349 HydrophobicContact CB-CB 3.85Å; P345-N349 WeakPolarHBondContact CB-OD1 3.49Å; P345-N349 HydrophobicContact CG-CB 4.4Å; P345-N349 WeakPolarHBondContact CG-OD1 3.41Å; P345-Y350 HydrophobicContact CG-CD2 4.07Å; P345-Y350 HydrophobicContact CG-CE2 3.72Å; P345-Y350 VanDerWaalsContact O-CE2 3.29Å; P345-Y350 WeakPolarHBondContact O-CE2 3.43Å; P345-H361 PolarHBondContact O-NE2 3.23Å; P345-H361 VanDerWaalsContact O-NE2 3.13Å |
| 346 | D | 97.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 36.8 Ų | 36.8 | 52% | 0.524 | 18% | 0.177 | S | C | . | . | trans | -61.7 | 163.4 | 178.1 | 69.1 | 50.7 | 0 | 0 | 0 | 112.9 | A348 N349 Y350 | D346-A348 VanDerWaalsContact C-N 3.31Å; D346-A348 PolarHBondContact O-N 3.26Å; D346-A348 WeakPolarHBondContact OD1-CA 3.43Å; D346-A348 WeakPolarHBondContact OD1-CB 3.37Å; D346-A348 PolarHBondContact OD1-N 2.97Å; D346-N349 WeakPolarHBondContact O-CB 3.48Å; D346-N349 PolarHBondContact O-N 2.97Å; D346-N349 WeakPolarHBondContact OD1-CB 3.4Å; D346-N349 PolarHBondContact OD1-N 3.2Å; D346-Y350 WeakPolarHBondContact O-CD2 3.42Å; D346-Y350 PolarHBondContact O-N 3.17Å | ||
| 347 | R | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.5 | -42.2 | -179.1 | 177.1 | 169.9 | 179.5 | 105.2 | 16.2 | 112.8 | N349 Y350 E351 R356 F359 H361 D364 | R347-N349 PolarHBondContact O-N 3.1Å; R347-Y350 PolarHBondContact O-N 3.18Å; R347-E351 HydrophobicContact CG-CG 4.49Å; R347-E351 IonicContact CZ-OE1 3.49Å; R347-E351 VanDerWaalsContact CZ-OE1 3.31Å; R347-E351 IonicContact NE-OE1 3.87Å; R347-E351 PolarHBondContact NE-OE1 3.19Å; R347-E351 IonicContact NH2-OE1 3.26Å; R347-E351 PolarHBondContact NH2-OE1 3.05Å; R347-E351 WeakPolarHBondContact O-CG 3.26Å; R347-E351 PolarHBondContact O-N 3.27Å; R347-E351 VanDerWaalsContact O-N 3.08Å; R347-R356 PolarHBondContact NH2-O 3.04Å; R347-F359 HydrophobicContact CG-CE2 4.33Å; R347-F359 HydrophobicContact CG-CZ 4.23Å; R347-H361 HydrophobicContact CB-CB 4.31Å; R347-H361 HydrophobicContact CG-CB 4.39Å; R347-D364 WeakPolarHBondContact CD-OD1 2.94Å; R347-D364 IonicContact CZ-OD1 3.89Å; R347-D364 IonicContact CZ-OD2 2.8Å; R347-D364 IonicContact NE-OD1 2.88Å; R347-D364 IonicContact NH1-OD1 3.97Å; R347-D364 PolarHBondContact NH1-OD1 2.86Å; R347-D364 IonicContact NH1-OD2 2.78Å; R347-D364 PolarHBondContact NH1-OD2 2.87Å |
| 348 | A | 98.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 38.7 Ų | 38.7 | 55% | 0.545 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.3 | -34.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D346 E351 R352 | D346-A348 VanDerWaalsContact C-N 3.31Å; D346-A348 PolarHBondContact O-N 3.26Å; D346-A348 WeakPolarHBondContact OD1-CA 3.43Å; D346-A348 WeakPolarHBondContact OD1-CB 3.37Å; D346-A348 PolarHBondContact OD1-N 2.97Å; A348-E351 PolarHBondContact O-N 2.99Å; A348-R352 PolarHBondContact O-N 3.18Å |
| 349 | N | 98.3 | Very high | 98 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 175 | -170.1 | -95.8 | 0 | 0 | 0 | 111.6 | V322 D323 P345 D346 R347 E351 R352 F353 | V322-N349 WeakPolarHBondContact CG2-ND2 3.3Å; D323-N349 WeakPolarHBondContact CA-OD1 3.13Å; D323-N349 PolarHBondContact N-ND2 3.34Å; D323-N349 PolarHBondContact N-OD1 2.74Å; D323-N349 PolarHBondContact OD1-ND2 2.69Å; P345-N349 HydrophobicContact CB-CB 3.85Å; P345-N349 WeakPolarHBondContact CB-OD1 3.49Å; P345-N349 HydrophobicContact CG-CB 4.4Å; P345-N349 WeakPolarHBondContact CG-OD1 3.41Å; D346-N349 WeakPolarHBondContact O-CB 3.48Å; D346-N349 PolarHBondContact O-N 2.97Å; D346-N349 WeakPolarHBondContact OD1-CB 3.4Å; D346-N349 PolarHBondContact OD1-N 3.2Å; R347-N349 PolarHBondContact O-N 3.1Å; N349-E351 VanDerWaalsContact C-N 3.27Å; N349-E351 PolarHBondContact O-N 2.96Å; N349-R352 PolarHBondContact ND2-NH1 2.67Å; N349-R352 WeakPolarHBondContact O-CB 3.4Å; N349-R352 PolarHBondContact O-N 3.48Å; N349-R352 VanDerWaalsContact O-N 3.14Å; N349-F353 WeakPolarHBondContact O-CD2 3.32Å; N349-F353 WeakPolarHBondContact O-CE2 3.43Å |
| 350 | Y | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.8 | -41.5 | 172.1 | -83.2 | -81.5 | 0 | 0 | 0 | 112.1 | I325 L329 V342 P345 D346 R347 R352 F353 V354 F359 H361 | I325-Y350 HydrophobicContact CB-CE1 4.37Å; I325-Y350 HydrophobicContact CD1-CD1 3.52Å; I325-Y350 HydrophobicContact CD1-CE1 3.77Å; I325-Y350 HydrophobicContact CD1-CG 4.05Å; I325-Y350 HydrophobicContact CG1-CD1 3.99Å; I325-Y350 HydrophobicContact CG1-CE1 3.67Å; I325-Y350 HydrophobicContact CG2-CD1 4.36Å; I325-Y350 HydrophobicContact CG2-CE1 3.86Å; L329-Y350 HydrophobicContact CD2-CD1 4.27Å; L329-Y350 HydrophobicContact CD2-CE1 4.24Å; V342-Y350 HydrophobicContact CB-CE1 4.03Å; V342-Y350 HydrophobicContact CB-CE2 4.03Å; V342-Y350 HydrophobicContact CG1-CE1 3.97Å; V342-Y350 HydrophobicContact CG2-CD1 4.47Å; V342-Y350 HydrophobicContact CG2-CD2 4.02Å; V342-Y350 HydrophobicContact CG2-CE1 4.21Å; V342-Y350 HydrophobicContact CG2-CE2 3.71Å; V342-Y350 HydrophobicContact CG2-CG 4.4Å; P345-Y350 HydrophobicContact CG-CD2 4.07Å; P345-Y350 HydrophobicContact CG-CE2 3.72Å; P345-Y350 VanDerWaalsContact O-CE2 3.29Å; P345-Y350 WeakPolarHBondContact O-CE2 3.43Å; D346-Y350 WeakPolarHBondContact O-CD2 3.42Å; D346-Y350 PolarHBondContact O-N 3.17Å; R347-Y350 PolarHBondContact O-N 3.18Å; Y350-R352 PolarHBondContact O-N 2.91Å; Y350-F353 PolarHBondContact O-N 3.33Å; Y350-V354 WeakPolarHBondContact O-CG2 3.38Å; Y350-V354 PolarHBondContact O-N 3.13Å; Y350-F359 VanDerWaalsContact CB-CZ 3.45Å; Y350-F359 HydrophobicContact CG-CE2 4.22Å; Y350-F359 HydrophobicContact CG-CZ 4.31Å; Y350-H361 AromaticContact CD2-CD2 3.85Å; Y350-H361 AromaticContact CD2-NE2 3.99Å; Y350-H361 AromaticContact CE2-NE2 3.99Å |
| 351 | E | 98.3 | Very high | 98.1 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.3 | -15.2 | -179.2 | -68.6 | -171.8 | -175.3 | 0 | 0 | 113.9 | R347 A348 N349 F353 V354 R356 F359 | R347-E351 HydrophobicContact CG-CG 4.49Å; R347-E351 IonicContact CZ-OE1 3.49Å; R347-E351 VanDerWaalsContact CZ-OE1 3.31Å; R347-E351 IonicContact NE-OE1 3.87Å; R347-E351 PolarHBondContact NE-OE1 3.19Å; R347-E351 IonicContact NH2-OE1 3.26Å; R347-E351 PolarHBondContact NH2-OE1 3.05Å; R347-E351 WeakPolarHBondContact O-CG 3.26Å; R347-E351 PolarHBondContact O-N 3.27Å; R347-E351 VanDerWaalsContact O-N 3.08Å; A348-E351 PolarHBondContact O-N 2.99Å; N349-E351 VanDerWaalsContact C-N 3.27Å; N349-E351 PolarHBondContact O-N 2.96Å; E351-F353 VanDerWaalsContact C-N 3.29Å; E351-V354 WeakPolarHBondContact CA-O 3.31Å; E351-R356 HydrophobicContact CG-CB 4.05Å; E351-R356 VanDerWaalsContact OE1-CB 3.24Å; E351-R356 WeakPolarHBondContact OE1-CB 3.37Å; E351-F359 HydrophobicContact CG-CE1 4.09Å; E351-F359 HydrophobicContact CG-CZ 3.9Å |
| 352 | R | 97.7 | Very high | 98.1 | Very high | 144 Ų | 144 | 38.9 Ų | 38.9 | 54% | 0.543 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -25.7 | 169.6 | -64.3 | 168.6 | 67.2 | -151.7 | -1.5 | 112.6 | T225 D323 A348 N349 Y350 | T225-R352 PolarHBondContact OG1-NH2 3.02Å; D323-R352 IonicContact OD1-CZ 3.7Å; D323-R352 IonicContact OD1-NH1 2.74Å; D323-R352 PolarHBondContact OD1-NH1 3.16Å; D323-R352 IonicContact OD2-NH1 3.87Å; A348-R352 PolarHBondContact O-N 3.18Å; N349-R352 PolarHBondContact ND2-NH1 2.67Å; N349-R352 WeakPolarHBondContact O-CB 3.4Å; N349-R352 PolarHBondContact O-N 3.48Å; N349-R352 VanDerWaalsContact O-N 3.14Å; Y350-R352 PolarHBondContact O-N 2.91Å |
| 353 | F | 97.8 | Very high | 98 | Very high | 43 Ų | 43 | 44.7 Ų | 44.7 | 19% | 0.189 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -28.2 | -173.6 | -56.7 | -80.6 | 0 | 0 | 0 | 113.7 | T225 F230 D323 I325 W330 N349 Y350 E351 | T225-F353 HydrophobicContact CG2-CE1 3.54Å; T225-F353 HydrophobicContact CG2-CZ 3.47Å; T225-F353 VanDerWaalsContact CG2-CZ 3.47Å; F230-F353 AromaticContact CZ-CE1 3.87Å; F230-F353 HydrophobicContact CZ-CE1 3.87Å; D323-F353 HydrophobicContact CB-CE2 4.3Å; D323-F353 HydrophobicContact CB-CZ 3.95Å; D323-F353 WeakPolarHBondContact OD1-CZ 3.46Å; I325-F353 HydrophobicContact CD1-CD2 3.51Å; I325-F353 HydrophobicContact CD1-CE2 4.02Å; I325-F353 HydrophobicContact CD1-CG 4.26Å; W330-F353 HydrophobicContact CH2-CB 4.34Å; W330-F353 HydrophobicContact CZ2-CB 4.23Å; N349-F353 WeakPolarHBondContact O-CD2 3.32Å; N349-F353 WeakPolarHBondContact O-CE2 3.43Å; Y350-F353 PolarHBondContact O-N 3.33Å; E351-F353 VanDerWaalsContact C-N 3.29Å |
| 354 | V | 97.8 | Very high | 98 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -138.9 | 150.7 | -176 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | L236 L329 W330 F334 Y350 E351 R356 F359 | L236-V354 HydrophobicContact CD1-CB 4.36Å; L236-V354 HydrophobicContact CD1-CG1 4.2Å; L236-V354 HydrophobicContact CG-CG1 4.43Å; L329-V354 HydrophobicContact CD2-CG1 4.07Å; W330-V354 HydrophobicContact CH2-CG1 3.42Å; W330-V354 VanDerWaalsContact CH2-CG1 3.42Å; W330-V354 HydrophobicContact CZ2-CG1 4.2Å; W330-V354 HydrophobicContact CZ3-CG1 3.8Å; F334-V354 HydrophobicContact CE2-CB 4.4Å; F334-V354 HydrophobicContact CE2-CG1 3.66Å; F334-V354 HydrophobicContact CZ-CB 4.24Å; F334-V354 HydrophobicContact CZ-CG1 3.94Å; Y350-V354 WeakPolarHBondContact O-CG2 3.38Å; Y350-V354 PolarHBondContact O-N 3.13Å; E351-V354 WeakPolarHBondContact CA-O 3.31Å; V354-R356 PolarHBondContact O-N 2.86Å; V354-F359 HydrophobicContact CG2-CD1 3.61Å; V354-F359 HydrophobicContact CG2-CE1 3.74Å |
| 355 | P | 97.4 | Very high | 98 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | trans | -59.3 | 138.1 | 178.8 | -27.1 | 36.7 | 0 | 0 | 0 | 112.8 | L236 G357 S358 W391 | L236-P355 VanDerWaalsContact CD1-CD 3.46Å; L236-P355 HydrophobicContact CD1-CG 4.34Å; P355-G357 PolarHBondContact O-N 2.8Å; P355-S358 WeakPolarHBondContact O-CB 3.5Å; P355-S358 PolarHBondContact O-N 3.45Å; P355-S358 PolarHBondContact O-OG 3.17Å; P355-W391 HydrophobicContact CB-CB 4.34Å; P355-W391 HydrophobicContact CG-CB 3.86Å | ||
| 356 | R | 96.9 | Very high | 98 | Very high | 187 Ų | 187 | 54.5 Ų | 54.5 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | -29.9 | 178.8 | 72.1 | -179.6 | 80.4 | 149.1 | 3.8 | 115.6 | R347 E351 V354 | R347-R356 PolarHBondContact NH2-O 3.04Å; E351-R356 HydrophobicContact CG-CB 4.05Å; E351-R356 VanDerWaalsContact OE1-CB 3.24Å; E351-R356 WeakPolarHBondContact OE1-CB 3.37Å; V354-R356 PolarHBondContact O-N 2.86Å |
| 357 | G | 96.7 | Very high | 98.1 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 10.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P355 Y388 | P355-G357 PolarHBondContact O-N 2.8Å; G357-Y388 VanDerWaalsContact O-CA 3.3Å; G357-Y388 WeakPolarHBondContact O-CA 3.48Å; G357-Y388 VanDerWaalsContact O-CD1 3.27Å; G357-Y388 WeakPolarHBondContact O-CD1 3.47Å |
| 358 | S | 97.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -98.9 | -7.4 | -179.6 | 69.9 | 0 | 0 | 0 | 0 | 114.4 | P340 P355 | P340-S358 WeakPolarHBondContact CD-O 3.13Å; P355-S358 WeakPolarHBondContact O-CB 3.5Å; P355-S358 PolarHBondContact O-N 3.45Å; P355-S358 PolarHBondContact O-OG 3.17Å |
| 359 | F | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | trans | -148.3 | 164.4 | -174.8 | 69.6 | -83.9 | 0 | 0 | 0 | 111.7 | P340 V342 R347 Y350 E351 V354 H361 Y388 | P340-F359 HydrophobicContact CG-CB 3.76Å; V342-F359 HydrophobicContact CG1-CB 4.28Å; V342-F359 HydrophobicContact CG1-CD2 4.42Å; V342-F359 HydrophobicContact CG2-CD2 3.58Å; V342-F359 HydrophobicContact CG2-CE2 4.03Å; R347-F359 HydrophobicContact CG-CE2 4.33Å; R347-F359 HydrophobicContact CG-CZ 4.23Å; Y350-F359 VanDerWaalsContact CB-CZ 3.45Å; Y350-F359 HydrophobicContact CG-CE2 4.22Å; Y350-F359 HydrophobicContact CG-CZ 4.31Å; E351-F359 HydrophobicContact CG-CE1 4.09Å; E351-F359 HydrophobicContact CG-CZ 3.9Å; V354-F359 HydrophobicContact CG2-CD1 3.61Å; V354-F359 HydrophobicContact CG2-CE1 3.74Å; F359-H361 HydrophobicContact CD2-CB 4.42Å; F359-H361 HydrophobicContact CE2-CB 4.04Å; F359-Y388 WeakPolarHBondContact O-CE1 3.36Å | ||
| 360 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.7 | 174.2 | -60.1 | 173.4 | 0 | 0 | 0 | 107.2 | F312 V339 P340 V341 V342 F365 L371 Y374 L375 L378 Y388 | F312-I360 HydrophobicContact CD1-CD1 4.1Å; F312-I360 HydrophobicContact CE1-CD1 3.79Å; V339-I360 HydrophobicContact CG1-CD1 3.99Å; V339-I360 HydrophobicContact CG1-CG1 4.09Å; P340-I360 PolarHBondContact O-N 3.27Å; V341-I360 CarbonylContact C-O 3.56Å; V341-I360 VanDerWaalsContact CA-O 3.32Å; V341-I360 WeakPolarHBondContact CA-O 3.46Å; V341-I360 HydrophobicContact CG2-CB 4.33Å; V341-I360 HydrophobicContact CG2-CD1 4.45Å; V342-I360 PolarHBondContact N-O 3.24Å; I360-F365 HydrophobicContact CG2-CE2 3.55Å; I360-F365 HydrophobicContact CG2-CZ 4.09Å; I360-L371 HydrophobicContact CG2-CD1 3.7Å; I360-Y374 HydrophobicContact CD1-CD1 4.35Å; I360-Y374 HydrophobicContact CD1-CE1 4.02Å; I360-Y374 HydrophobicContact CG1-CE1 4.37Å; I360-L375 HydrophobicContact CD1-CD2 3.73Å; I360-L378 HydrophobicContact CD1-CD1 3.74Å; I360-Y388 HydrophobicContact CD1-CE1 4.38Å; I360-Y388 HydrophobicContact CD1-CE2 4.46Å; I360-Y388 HydrophobicContact CG1-CD1 4.48Å; I360-Y388 HydrophobicContact CG1-CE1 3.63Å |
| 361 | H | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140 | 176.5 | -157.7 | -87.1 | 0 | 0 | 0 | 109.7 | V342 P345 R347 Y350 F359 D363 D364 F365 | V342-H361 HydrophobicContact CG2-CB 4.29Å; V342-H361 VanDerWaalsContact CG2-CD2 3.44Å; V342-H361 WeakPolarHBondContact CG2-CD2 3.39Å; P345-H361 PolarHBondContact O-NE2 3.23Å; P345-H361 VanDerWaalsContact O-NE2 3.13Å; R347-H361 HydrophobicContact CB-CB 4.31Å; R347-H361 HydrophobicContact CG-CB 4.39Å; Y350-H361 AromaticContact CD2-CD2 3.85Å; Y350-H361 AromaticContact CD2-NE2 3.99Å; Y350-H361 AromaticContact CE2-NE2 3.99Å; F359-H361 HydrophobicContact CD2-CB 4.42Å; F359-H361 HydrophobicContact CE2-CB 4.04Å; H361-D363 IonicContact CE1-OD2 3.62Å; H361-D363 PolarHBondContact CE1-OD2 3.3Å; H361-D363 WeakPolarHBondContact ND1-CB 3.39Å; H361-D363 PolarHBondContact ND1-N 3.22Å; H361-D363 VanDerWaalsContact ND1-N 3.17Å; H361-D363 IonicContact ND1-OD2 2.64Å; H361-D363 PolarHBondContact O-N 3.17Å; H361-D364 WeakPolarHBondContact CB-OD2 3.32Å; H361-D364 PolarHBondContact N-OD2 2.83Å; H361-D364 WeakPolarHBondContact O-CB 3.46Å; H361-D364 PolarHBondContact O-N 3.33Å; H361-F365 WeakPolarHBondContact O-CD2 3.38Å |
| 362 | V | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -60 | -38.1 | 177.2 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | Y276 F316 V341 V342 L343 D364 F365 L371 | Y276-V362 HydrophobicContact CD1-CG1 4.02Å; Y276-V362 HydrophobicContact CE1-CB 4.05Å; Y276-V362 HydrophobicContact CE1-CG1 3.44Å; Y276-V362 VanDerWaalsContact CE1-CG1 3.44Å; Y276-V362 HydrophobicContact CE2-CB 3.98Å; Y276-V362 HydrophobicContact CE2-CG1 4.25Å; F316-V362 HydrophobicContact CE1-CG1 3.88Å; F316-V362 HydrophobicContact CZ-CG1 4Å; V341-V362 HydrophobicContact CG1-CG1 4.25Å; V342-V362 WeakPolarHBondContact O-CG1 3.46Å; V342-V362 PolarHBondContact O-N 3.36Å; L343-V362 HydrophobicContact CB-CG1 4.22Å; L343-V362 HydrophobicContact CB-CG2 3.98Å; L343-V362 HydrophobicContact CD1-CG1 4.45Å; L343-V362 HydrophobicContact CD1-CG2 4.05Å; L343-V362 HydrophobicContact CG-CG2 4.04Å; V362-D364 PolarHBondContact O-N 3.48Å; V362-F365 PolarHBondContact O-N 3.44Å; V362-L371 HydrophobicContact CG1-CD2 4.11Å |
| 363 | D | 97.6 | Very high | 98.3 | Very high | 121 Ų | 121 | 41.4 Ų | 41.4 | 65% | 0.647 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -76.5 | -0.6 | -178.6 | -56.7 | -27.3 | 0 | 0 | 0 | 114.2 | H361 F365 | H361-D363 IonicContact CE1-OD2 3.62Å; H361-D363 PolarHBondContact CE1-OD2 3.3Å; H361-D363 WeakPolarHBondContact ND1-CB 3.39Å; H361-D363 PolarHBondContact ND1-N 3.22Å; H361-D363 VanDerWaalsContact ND1-N 3.17Å; H361-D363 IonicContact ND1-OD2 2.64Å; H361-D363 PolarHBondContact O-N 3.17Å; D363-F365 PolarHBondContact O-N 2.81Å |
| 364 | D | 98.3 | Very high | 98.3 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -69 | -12.5 | 167.7 | -60.7 | -32.9 | 0 | 0 | 0 | 112 | R347 H361 V362 | R347-D364 WeakPolarHBondContact CD-OD1 2.94Å; R347-D364 IonicContact CZ-OD1 3.89Å; R347-D364 IonicContact CZ-OD2 2.8Å; R347-D364 IonicContact NE-OD1 2.88Å; R347-D364 IonicContact NH1-OD1 3.97Å; R347-D364 PolarHBondContact NH1-OD1 2.86Å; R347-D364 IonicContact NH1-OD2 2.78Å; R347-D364 PolarHBondContact NH1-OD2 2.87Å; H361-D364 WeakPolarHBondContact CB-OD2 3.32Å; H361-D364 PolarHBondContact N-OD2 2.83Å; H361-D364 WeakPolarHBondContact O-CB 3.46Å; H361-D364 PolarHBondContact O-N 3.33Å; V362-D364 PolarHBondContact O-N 3.48Å |
| 365 | F | 98.6 | Very high | 98.4 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 17% | 0.171 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -120.7 | 138.7 | -170.8 | -59.7 | -84.1 | 0 | 0 | 0 | 110.5 | I360 H361 V362 D363 S367 L371 Y374 | I360-F365 HydrophobicContact CG2-CE2 3.55Å; I360-F365 HydrophobicContact CG2-CZ 4.09Å; H361-F365 WeakPolarHBondContact O-CD2 3.38Å; V362-F365 PolarHBondContact O-N 3.44Å; D363-F365 PolarHBondContact O-N 2.81Å; F365-S367 PolarHBondContact O-N 3.04Å; F365-L371 HydrophobicContact CB-CB 4.1Å; F365-L371 HydrophobicContact CD1-CB 4.33Å; F365-L371 HydrophobicContact CD2-CB 3.85Å; F365-L371 HydrophobicContact CD2-CD1 3.67Å; F365-L371 HydrophobicContact CD2-CG 4.27Å; F365-L371 HydrophobicContact CE2-CB 4.45Å; F365-L371 HydrophobicContact CE2-CD1 3.49Å; F365-L371 VanDerWaalsContact CE2-CD1 3.49Å; F365-L371 HydrophobicContact CG-CB 3.8Å; F365-L371 HydrophobicContact CG-CD1 4.38Å; F365-L371 HydrophobicContact CZ-CD1 4.05Å; F365-Y374 VanDerWaalsContact CE1-CB 3.42Å; F365-Y374 AromaticContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD2 4.34Å; F365-Y374 AromaticContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE2-CD1 4.35Å; F365-Y374 AromaticContact CZ-CD1 3.3Å; F365-Y374 HydrophobicContact CZ-CD1 3.3Å; F365-Y374 AromaticContact CZ-CE1 3.93Å; F365-Y374 HydrophobicContact CZ-CE1 3.93Å; F365-Y374 AromaticContact CZ-CG 3.65Å; F365-Y374 HydrophobicContact CZ-CG 3.65Å |
| 366 | P | 98.1 | Very high | 98.4 | Very high | 129 Ų | 129 | 43 Ų | 43 | 84% | 0.838 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -67.2 | -16.7 | 177.1 | 27.5 | -35.5 | 0 | 0 | 0 | 113.1 | S370 | P366-S370 VanDerWaalsContact CD-OG 3.3Å; P366-S370 WeakPolarHBondContact CD-OG 3.44Å; P366-S370 WeakPolarHBondContact CG-OG 3.27Å |
| 367 | S | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 38.5 Ų | 38.5 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -158.4 | 161.8 | 178.2 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | F365 A369 S370 L371 | F365-S367 PolarHBondContact O-N 3.04Å; S367-A369 PolarHBondContact O-N 2.83Å; S367-A369 PolarHBondContact OG-N 3Å; S367-S370 PolarHBondContact N-OG 3.42Å; S367-S370 PolarHBondContact O-N 3.46Å; S367-S370 VanDerWaalsContact O-N 3.15Å; S367-S370 PolarHBondContact O-OG 3.06Å; S367-S370 PolarHBondContact OG-N 3.14Å; S367-S370 VanDerWaalsContact OG-N 3.14Å; S367-S370 PolarHBondContact OG-OG 3.16Å; S367-L371 PolarHBondContact O-N 2.78Å |
| 368 | A | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -29.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y276 Q279 L280 L371 A372 | Y276-A368 HydrophobicContact CE1-CB 4.42Å; Y276-A368 HydrophobicContact CE2-CB 4.48Å; Q279-A368 HydrophobicContact CB-CB 3.7Å; L280-A368 HydrophobicContact CB-CB 4.28Å; L280-A368 HydrophobicContact CD1-CB 4.47Å; L280-A368 WeakPolarHBondContact CD1-O 3.48Å; A368-L371 PolarHBondContact O-N 3.05Å; A368-A372 WeakPolarHBondContact O-CB 3.05Å; A368-A372 PolarHBondContact O-N 2.91Å |
| 369 | A | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S367 A372 A373 | S367-A369 PolarHBondContact O-N 2.83Å; S367-A369 PolarHBondContact OG-N 3Å; A369-A372 WeakPolarHBondContact O-CB 3.18Å; A369-A372 PolarHBondContact O-N 3.14Å; A369-A373 PolarHBondContact O-N 2.9Å |
| 370 | S | 98.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 175.4 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | P366 S367 A373 Y374 | P366-S370 VanDerWaalsContact CD-OG 3.3Å; P366-S370 WeakPolarHBondContact CD-OG 3.44Å; P366-S370 WeakPolarHBondContact CG-OG 3.27Å; S367-S370 PolarHBondContact N-OG 3.42Å; S367-S370 PolarHBondContact O-N 3.46Å; S367-S370 VanDerWaalsContact O-N 3.15Å; S367-S370 PolarHBondContact O-OG 3.06Å; S367-S370 PolarHBondContact OG-N 3.14Å; S367-S370 VanDerWaalsContact OG-N 3.14Å; S367-S370 PolarHBondContact OG-OG 3.16Å; S370-A373 PolarHBondContact O-N 3.05Å; S370-Y374 PolarHBondContact O-N 3.07Å |
| 371 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 170.8 | 171.4 | 61.9 | 0 | 0 | 0 | 110.8 | Y276 L280 V341 I360 V362 F365 S367 A368 A373 Y374 L375 | Y276-L371 HydrophobicContact CE1-CD2 3.73Å; Y276-L371 VanDerWaalsContact OH-CD2 3.27Å; Y276-L371 WeakPolarHBondContact OH-CD2 3.2Å; L280-L371 HydrophobicContact CD1-CD2 4.11Å; L280-L371 HydrophobicContact CD1-CG 4.23Å; L280-L371 HydrophobicContact CD2-CD2 4.49Å; V341-L371 HydrophobicContact CG1-CD1 4.3Å; V341-L371 HydrophobicContact CG1-CD2 3.95Å; I360-L371 HydrophobicContact CG2-CD1 3.7Å; V362-L371 HydrophobicContact CG1-CD2 4.11Å; F365-L371 HydrophobicContact CB-CB 4.1Å; F365-L371 HydrophobicContact CD1-CB 4.33Å; F365-L371 HydrophobicContact CD2-CB 3.85Å; F365-L371 HydrophobicContact CD2-CD1 3.67Å; F365-L371 HydrophobicContact CD2-CG 4.27Å; F365-L371 HydrophobicContact CE2-CB 4.45Å; F365-L371 HydrophobicContact CE2-CD1 3.49Å; F365-L371 VanDerWaalsContact CE2-CD1 3.49Å; F365-L371 HydrophobicContact CG-CB 3.8Å; F365-L371 HydrophobicContact CG-CD1 4.38Å; F365-L371 HydrophobicContact CZ-CD1 4.05Å; S367-L371 PolarHBondContact O-N 2.78Å; A368-L371 PolarHBondContact O-N 3.05Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.4Å; L371-Y374 WeakPolarHBondContact O-CB 3.02Å; L371-Y374 PolarHBondContact O-N 2.79Å; L371-Y374 VanDerWaalsContact O-N 3.08Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CD2 4.17Å; L371-L375 HydrophobicContact CD1-CG 4.13Å; L371-L375 HydrophobicContact CG-CD1 4.47Å; L371-L375 HydrophobicContact CG-CG 4.45Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 2.87Å |
| 372 | A | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L280 H283 V284 A368 A369 Y374 L375 L376 | L280-A372 HydrophobicContact CD1-CB 3.98Å; H283-A372 HydrophobicContact CB-CB 3.43Å; H283-A372 VanDerWaalsContact CB-CB 3.43Å; V284-A372 HydrophobicContact CB-CB 3.9Å; V284-A372 HydrophobicContact CG1-CB 3.83Å; A368-A372 WeakPolarHBondContact O-CB 3.05Å; A368-A372 PolarHBondContact O-N 2.91Å; A369-A372 WeakPolarHBondContact O-CB 3.18Å; A369-A372 PolarHBondContact O-N 3.14Å; A372-Y374 VanDerWaalsContact C-N 3.3Å; A372-Y374 PolarHBondContact O-N 3.24Å; A372-L375 PolarHBondContact O-N 3.06Å; A372-L376 WeakPolarHBondContact O-CG 3Å; A372-L376 PolarHBondContact O-N 2.86Å |
| 373 | A | 98.9 | Very high | 97.9 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A369 S370 L371 L376 F377 | A369-A373 PolarHBondContact O-N 2.9Å; S370-A373 PolarHBondContact O-N 3.05Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.4Å; A373-L376 PolarHBondContact O-N 3.47Å; A373-F377 WeakPolarHBondContact O-CB 3.36Å; A373-F377 PolarHBondContact O-N 3.03Å |
| 374 | Y | 98.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.9 | -175.4 | -112.5 | 0 | 0 | 0 | 113 | I360 F365 S370 L371 A372 L376 F377 L378 Y388 | I360-Y374 HydrophobicContact CD1-CD1 4.35Å; I360-Y374 HydrophobicContact CD1-CE1 4.02Å; I360-Y374 HydrophobicContact CG1-CE1 4.37Å; F365-Y374 VanDerWaalsContact CE1-CB 3.42Å; F365-Y374 AromaticContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD2 4.34Å; F365-Y374 AromaticContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE2-CD1 4.35Å; F365-Y374 AromaticContact CZ-CD1 3.3Å; F365-Y374 HydrophobicContact CZ-CD1 3.3Å; F365-Y374 AromaticContact CZ-CE1 3.93Å; F365-Y374 HydrophobicContact CZ-CE1 3.93Å; F365-Y374 AromaticContact CZ-CG 3.65Å; F365-Y374 HydrophobicContact CZ-CG 3.65Å; S370-Y374 PolarHBondContact O-N 3.07Å; L371-Y374 WeakPolarHBondContact O-CB 3.02Å; L371-Y374 PolarHBondContact O-N 2.79Å; L371-Y374 VanDerWaalsContact O-N 3.08Å; A372-Y374 VanDerWaalsContact C-N 3.3Å; A372-Y374 PolarHBondContact O-N 3.24Å; Y374-L376 VanDerWaalsContact C-N 3.34Å; Y374-L376 PolarHBondContact O-N 2.79Å; Y374-F377 HydrophobicContact CD2-CD1 4.16Å; Y374-F377 HydrophobicContact CE2-CD1 4.14Å; Y374-F377 WeakPolarHBondContact O-CB 3.37Å; Y374-F377 PolarHBondContact O-N 2.68Å; Y374-L378 HydrophobicContact CD1-CD1 3.97Å; Y374-L378 HydrophobicContact CD1-CG 4.39Å; Y374-L378 HydrophobicContact CE1-CD1 3.5Å; Y374-L378 HydrophobicContact CE1-CG 4.05Å; Y374-L378 HydrophobicContact CE2-CD2 4.34Å; Y374-L378 HydrophobicContact CE2-CG 4.29Å; Y374-L378 WeakPolarHBondContact O-CG 3.27Å; Y374-L378 PolarHBondContact O-N 3.14Å; Y374-Y388 WeakPolarHBondContact CE1-OH 3.26Å; Y374-Y388 PolarHBondContact OH-OH 3.24Å |
| 375 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 174.7 | -61.7 | -175 | 0 | 0 | 0 | 111.6 | V260 F312 V341 I360 L371 A372 L378 D379 | V260-L375 HydrophobicContact CG2-CD1 3.89Å; F312-L375 HydrophobicContact CD1-CD2 3.73Å; F312-L375 HydrophobicContact CD2-CB 4.3Å; F312-L375 HydrophobicContact CD2-CD2 4.08Å; F312-L375 HydrophobicContact CE1-CD2 3.76Å; F312-L375 HydrophobicContact CE2-CB 4.09Å; F312-L375 HydrophobicContact CE2-CD2 4.1Å; F312-L375 HydrophobicContact CG-CD2 3.91Å; F312-L375 HydrophobicContact CZ-CD2 3.96Å; V341-L375 HydrophobicContact CG2-CD1 4.38Å; V341-L375 HydrophobicContact CG2-CD2 3.99Å; I360-L375 HydrophobicContact CD1-CD2 3.73Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CD2 4.17Å; L371-L375 HydrophobicContact CD1-CG 4.13Å; L371-L375 HydrophobicContact CG-CD1 4.47Å; L371-L375 HydrophobicContact CG-CG 4.45Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 2.87Å; A372-L375 PolarHBondContact O-N 3.06Å; L375-L378 PolarHBondContact O-N 3.15Å; L375-D379 WeakPolarHBondContact O-CB 3.33Å; L375-D379 PolarHBondContact O-N 2.81Å |
| 376 | L | 98.7 | Very high | 97.6 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 32% | 0.319 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.5 | -36.2 | 174.8 | -68.9 | 168.8 | 0 | 0 | 0 | 112.3 | L259 V284 A372 A373 Y374 D379 R380 | L259-L376 HydrophobicContact CD2-CD2 3.76Å; V284-L376 HydrophobicContact CG2-CD2 4.44Å; A372-L376 WeakPolarHBondContact O-CG 3Å; A372-L376 PolarHBondContact O-N 2.86Å; A373-L376 PolarHBondContact O-N 3.47Å; Y374-L376 VanDerWaalsContact C-N 3.34Å; Y374-L376 PolarHBondContact O-N 2.79Å; L376-D379 WeakPolarHBondContact O-CB 3.27Å; L376-D379 PolarHBondContact O-N 2.85Å; L376-R380 WeakPolarHBondContact O-CG 3.24Å; L376-R380 PolarHBondContact O-N 2.76Å |
| 377 | F | 98.6 | Very high | 97.5 | Very high | 93 Ų | 93 | 57 Ų | 57 | 41% | 0.408 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 172 | 166.9 | -97.9 | 0 | 0 | 0 | 111 | A373 Y374 D379 R380 N381 V384 | A373-F377 WeakPolarHBondContact O-CB 3.36Å; A373-F377 PolarHBondContact O-N 3.03Å; Y374-F377 HydrophobicContact CD2-CD1 4.16Å; Y374-F377 HydrophobicContact CE2-CD1 4.14Å; Y374-F377 WeakPolarHBondContact O-CB 3.37Å; Y374-F377 PolarHBondContact O-N 2.68Å; F377-D379 VanDerWaalsContact C-N 3.28Å; F377-D379 PolarHBondContact O-N 2.99Å; F377-R380 PolarHBondContact O-N 3.05Å; F377-N381 VanDerWaalsContact CD2-ND2 3.26Å; F377-N381 WeakPolarHBondContact CD2-ND2 3.44Å; F377-N381 HydrophobicContact CE1-CB 4.44Å; F377-N381 HydrophobicContact CE2-CB 4.38Å; F377-N381 WeakPolarHBondContact CE2-ND2 3.38Å; F377-N381 HydrophobicContact CZ-CB 4.2Å; F377-N381 WeakPolarHBondContact O-CB 3.23Å; F377-N381 PolarHBondContact O-N 3.35Å; F377-N381 PolarHBondContact O-ND2 3.19Å; F377-V384 HydrophobicContact CE1-CG1 4.29Å; F377-V384 HydrophobicContact CE1-CG2 4.41Å; F377-V384 HydrophobicContact CZ-CG2 4.41Å |
| 378 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 176.9 | -70.6 | 180 | 0 | 0 | 0 | 112.6 | F312 I360 Y374 L375 R380 N381 V384 Y388 | F312-L378 HydrophobicContact CE1-CD1 3.8Å; F312-L378 HydrophobicContact CZ-CB 3.71Å; F312-L378 HydrophobicContact CZ-CD1 3.77Å; F312-L378 HydrophobicContact CZ-CG 4.42Å; I360-L378 HydrophobicContact CD1-CD1 3.74Å; Y374-L378 HydrophobicContact CD1-CD1 3.97Å; Y374-L378 HydrophobicContact CD1-CG 4.39Å; Y374-L378 HydrophobicContact CE1-CD1 3.5Å; Y374-L378 HydrophobicContact CE1-CG 4.05Å; Y374-L378 HydrophobicContact CE2-CD2 4.34Å; Y374-L378 HydrophobicContact CE2-CG 4.29Å; Y374-L378 WeakPolarHBondContact O-CG 3.27Å; Y374-L378 PolarHBondContact O-N 3.14Å; L375-L378 PolarHBondContact O-N 3.15Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 3.34Å; L378-N381 CarbonylContact O-C 3.58Å; L378-N381 PolarHBondContact O-N 2.85Å; L378-V384 HydrophobicContact CD2-CB 4.02Å; L378-V384 HydrophobicContact CD2-CG1 3.57Å; L378-Y388 HydrophobicContact CD1-CD2 4.38Å; L378-Y388 HydrophobicContact CD1-CE2 3.65Å; L378-Y388 HydrophobicContact CD2-CE2 4.05Å |
| 379 | D | 96.3 | Very high | 97.1 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 175.2 | -174.5 | 54.8 | 0 | 0 | 0 | 111.8 | L259 K311 L375 L376 F377 | L259-D379 HydrophobicContact CD1-CB 3.7Å; K311-D379 VanDerWaalsContact CD-OD1 3.26Å; K311-D379 WeakPolarHBondContact CD-OD1 3.36Å; K311-D379 VanDerWaalsContact CE-OD1 3.26Å; K311-D379 WeakPolarHBondContact CE-OD1 3.37Å; K311-D379 PolarHBondContact NZ-O 3.46Å; K311-D379 IonicContact NZ-OD1 3.23Å; K311-D379 PolarHBondContact NZ-OD1 3.27Å; L375-D379 WeakPolarHBondContact O-CB 3.33Å; L375-D379 PolarHBondContact O-N 2.81Å; L376-D379 WeakPolarHBondContact O-CB 3.27Å; L376-D379 PolarHBondContact O-N 2.85Å; F377-D379 VanDerWaalsContact C-N 3.28Å; F377-D379 PolarHBondContact O-N 2.99Å |
| 380 | R | 96.9 | Very high | 96.9 | Very high | 199 Ų | 199 | 59.2 Ų | 59.2 | 75% | 0.751 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -79.8 | -23.2 | 178.6 | -63.6 | 175.4 | -175.7 | 176.1 | 1.1 | 113.4 | L376 F377 L378 | L376-R380 WeakPolarHBondContact O-CG 3.24Å; L376-R380 PolarHBondContact O-N 2.76Å; F377-R380 PolarHBondContact O-N 3.05Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 3.34Å |
| 381 | N | 97.5 | Very high | 96.6 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | trans | -112.4 | 74.7 | -174.4 | -68.8 | -84.8 | 0 | 0 | 0 | 111.9 | F377 L378 A383 V384 Y385 | F377-N381 VanDerWaalsContact CD2-ND2 3.26Å; F377-N381 WeakPolarHBondContact CD2-ND2 3.44Å; F377-N381 HydrophobicContact CE1-CB 4.44Å; F377-N381 HydrophobicContact CE2-CB 4.38Å; F377-N381 WeakPolarHBondContact CE2-ND2 3.38Å; F377-N381 HydrophobicContact CZ-CB 4.2Å; F377-N381 WeakPolarHBondContact O-CB 3.23Å; F377-N381 PolarHBondContact O-N 3.35Å; F377-N381 PolarHBondContact O-ND2 3.19Å; L378-N381 CarbonylContact O-C 3.58Å; L378-N381 PolarHBondContact O-N 2.85Å; N381-A383 PolarHBondContact O-N 3.2Å; N381-A383 VanDerWaalsContact O-N 3.14Å; N381-V384 HydrophobicContact CB-CB 4.35Å; N381-V384 HydrophobicContact CB-CG2 4.14Å; N381-V384 PolarHBondContact O-N 3.41Å; N381-Y385 PolarHBondContact O-N 3.05Å | ||
| 382 | V | 92.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 38% | 0.376 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.7 | -35.8 | -174.8 | 179.3 | 0 | 0 | 0 | 0 | 113 | L253 V384 Y385 R386 | L253-V382 HydrophobicContact CD1-CG1 4.46Å; V382-V384 VanDerWaalsContact C-N 3.33Å; V382-V384 PolarHBondContact O-N 3.08Å; V382-Y385 PolarHBondContact O-N 2.91Å; V382-R386 HydrophobicContact CG1-CG 4.26Å; V382-R386 WeakPolarHBondContact O-CB 3.42Å; V382-R386 VanDerWaalsContact O-CG 3.27Å; V382-R386 WeakPolarHBondContact O-CG 3.26Å; V382-R386 PolarHBondContact O-N 2.92Å |
| 383 | A | 95.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 67.6 Ų | 67.6 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.3 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N381 | N381-A383 PolarHBondContact O-N 3.2Å; N381-A383 VanDerWaalsContact O-N 3.14Å |
| 384 | V | 96.9 | Very high | 95 | Very high | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.7 | -45.9 | 176.5 | -174 | 0 | 0 | 0 | 0 | 109.9 | F377 L378 N381 V382 R386 R387 | F377-V384 HydrophobicContact CE1-CG1 4.29Å; F377-V384 HydrophobicContact CE1-CG2 4.41Å; F377-V384 HydrophobicContact CZ-CG2 4.41Å; L378-V384 HydrophobicContact CD2-CB 4.02Å; L378-V384 HydrophobicContact CD2-CG1 3.57Å; N381-V384 HydrophobicContact CB-CB 4.35Å; N381-V384 HydrophobicContact CB-CG2 4.14Å; N381-V384 PolarHBondContact O-N 3.41Å; V382-V384 VanDerWaalsContact C-N 3.33Å; V382-V384 PolarHBondContact O-N 3.08Å; V384-R386 VanDerWaalsContact C-N 3.27Å; V384-R386 PolarHBondContact O-N 3Å; V384-R387 VanDerWaalsContact O-CB 3.25Å; V384-R387 WeakPolarHBondContact O-CB 3.46Å; V384-R387 PolarHBondContact O-N 3.3Å |
| 385 | Y | 96.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.8 | -40.8 | 175.8 | 172.5 | -99.9 | 0 | 0 | 0 | 112.7 | L253 K311 F312 V339 N381 V382 R387 Y388 F389 | L253-Y385 HydrophobicContact CD2-CD1 4.07Å; L253-Y385 HydrophobicContact CD2-CE1 3.45Å; L253-Y385 VanDerWaalsContact CD2-CE1 3.45Å; K311-Y385 WeakPolarHBondContact CA-OH 3.43Å; K311-Y385 HydrophobicContact CB-CE2 3.88Å; K311-Y385 HydrophobicContact CD-CE2 4.5Å; K311-Y385 HydrophobicContact CG-CE2 4.29Å; K311-Y385 PolarHBondContact O-OH 2.9Å; F312-Y385 HydrophobicContact CE1-CD2 4.06Å; F312-Y385 AromaticContact CE1-CE2 3.95Å; F312-Y385 HydrophobicContact CE1-CE2 3.95Å; F312-Y385 AromaticContact CZ-CD2 3.86Å; F312-Y385 HydrophobicContact CZ-CD2 3.86Å; F312-Y385 AromaticContact CZ-CE2 3.96Å; F312-Y385 HydrophobicContact CZ-CE2 3.96Å; V339-Y385 HydrophobicContact CB-CE2 4.27Å; V339-Y385 HydrophobicContact CG2-CD2 4.11Å; V339-Y385 HydrophobicContact CG2-CE2 3.44Å; V339-Y385 VanDerWaalsContact CG2-CE2 3.44Å; N381-Y385 PolarHBondContact O-N 3.05Å; V382-Y385 PolarHBondContact O-N 2.91Å; Y385-R387 PolarHBondContact O-N 3.49Å; Y385-R387 VanDerWaalsContact O-N 3.17Å; Y385-Y388 PolarHBondContact O-N 3.4Å; Y385-F389 HydrophobicContact CD1-CE2 4.25Å; Y385-F389 AromaticContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CZ 4.28Å; Y385-F389 HydrophobicContact CE2-CE2 4.3Å; Y385-F389 AromaticContact CZ-CE2 3.59Å; Y385-F389 AromaticContact CZ-CZ 3.91Å; Y385-F389 WeakPolarHBondContact OH-CZ 3.32Å |
| 386 | R | 94.3 | Very high | 94.2 | Very high | 140 Ų | 140 | 69.3 Ų | 69.3 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -25.5 | 177.3 | -80.2 | 175 | 178.9 | 179.3 | 2.1 | 113.7 | L253 V382 V384 Y388 F389 | L253-R386 HydrophobicContact CD1-CG 3.92Å; V382-R386 HydrophobicContact CG1-CG 4.26Å; V382-R386 WeakPolarHBondContact O-CB 3.42Å; V382-R386 VanDerWaalsContact O-CG 3.27Å; V382-R386 WeakPolarHBondContact O-CG 3.26Å; V382-R386 PolarHBondContact O-N 2.92Å; V384-R386 VanDerWaalsContact C-N 3.27Å; V384-R386 PolarHBondContact O-N 3Å; R386-Y388 PolarHBondContact O-N 2.9Å; R386-F389 PolarHBondContact O-N 3.38Å; R386-F389 VanDerWaalsContact O-N 3.13Å |
| 387 | R | 95.6 | Very high | 93.8 | Very high | 158 Ų | 158 | 66.5 Ų | 66.5 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.1 | -29.4 | 179.3 | -60.9 | 179.4 | -179 | -176.3 | -1.5 | 112.1 | V384 Y385 F389 H390 | V384-R387 VanDerWaalsContact O-CB 3.25Å; V384-R387 WeakPolarHBondContact O-CB 3.46Å; V384-R387 PolarHBondContact O-N 3.3Å; Y385-R387 PolarHBondContact O-N 3.49Å; Y385-R387 VanDerWaalsContact O-N 3.17Å; R387-F389 PolarHBondContact O-N 3.43Å; R387-H390 WeakPolarHBondContact O-CB 3.33Å; R387-H390 PolarHBondContact O-N 2.99Å |
| 388 | Y | 96.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.5 | 177 | -76 | -80.9 | 0 | 0 | 0 | 114.9 | V339 G357 F359 I360 Y374 L378 Y385 R386 W391 | V339-Y388 HydrophobicContact CG1-CD1 3.72Å; V339-Y388 HydrophobicContact CG1-CD2 4.36Å; V339-Y388 HydrophobicContact CG1-CE1 4.28Å; V339-Y388 HydrophobicContact CG1-CG 3.76Å; V339-Y388 HydrophobicContact CG2-CG 4.07Å; G357-Y388 VanDerWaalsContact O-CA 3.3Å; G357-Y388 WeakPolarHBondContact O-CA 3.48Å; G357-Y388 VanDerWaalsContact O-CD1 3.27Å; G357-Y388 WeakPolarHBondContact O-CD1 3.47Å; F359-Y388 WeakPolarHBondContact O-CE1 3.36Å; I360-Y388 HydrophobicContact CD1-CE1 4.38Å; I360-Y388 HydrophobicContact CD1-CE2 4.46Å; I360-Y388 HydrophobicContact CG1-CD1 4.48Å; I360-Y388 HydrophobicContact CG1-CE1 3.63Å; Y374-Y388 WeakPolarHBondContact CE1-OH 3.26Å; Y374-Y388 PolarHBondContact OH-OH 3.24Å; L378-Y388 HydrophobicContact CD1-CD2 4.38Å; L378-Y388 HydrophobicContact CD1-CE2 3.65Å; L378-Y388 HydrophobicContact CD2-CE2 4.05Å; Y385-Y388 PolarHBondContact O-N 3.4Å; R386-Y388 PolarHBondContact O-N 2.9Å; Y388-W391 PolarHBondContact O-NE1 3.24Å |
| 389 | F | 93.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 67 Ų | 67 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 3.2 | 177.4 | -57.7 | -75.1 | 0 | 0 | 0 | 113.3 | P251 V339 Y385 R386 R387 W391 R392 | P251-F389 HydrophobicContact CB-CD1 3.88Å; P251-F389 HydrophobicContact CB-CD2 4.21Å; P251-F389 HydrophobicContact CB-CE1 3.8Å; P251-F389 HydrophobicContact CB-CE2 4.14Å; P251-F389 HydrophobicContact CB-CG 4.08Å; P251-F389 HydrophobicContact CB-CZ 3.92Å; P251-F389 HydrophobicContact CG-CB 4.29Å; P251-F389 HydrophobicContact CG-CD1 3.97Å; P251-F389 HydrophobicContact CG-CD2 4.33Å; P251-F389 HydrophobicContact CG-CE1 4.4Å; P251-F389 HydrophobicContact CG-CG 3.91Å; V339-F389 HydrophobicContact CG2-CE1 4.21Å; V339-F389 HydrophobicContact CG2-CE2 3.75Å; V339-F389 HydrophobicContact CG2-CZ 3.48Å; V339-F389 VanDerWaalsContact CG2-CZ 3.48Å; Y385-F389 HydrophobicContact CD1-CE2 4.25Å; Y385-F389 AromaticContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CZ 4.28Å; Y385-F389 HydrophobicContact CE2-CE2 4.3Å; Y385-F389 AromaticContact CZ-CE2 3.59Å; Y385-F389 AromaticContact CZ-CZ 3.91Å; Y385-F389 WeakPolarHBondContact OH-CZ 3.32Å; R386-F389 PolarHBondContact O-N 3.38Å; R386-F389 VanDerWaalsContact O-N 3.13Å; R387-F389 PolarHBondContact O-N 3.43Å; F389-W391 PolarHBondContact O-N 3.47Å; F389-R392 WeakPolarHBondContact O-CB 3.13Å; F389-R392 PolarHBondContact O-N 2.64Å; F389-R392 VanDerWaalsContact O-N 3.09Å |
| 390 | H | 92.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -59.6 | -33.7 | -177.5 | -78 | -168.3 | 0 | 0 | 0 | 113.3 | R387 R392 R393 | R387-H390 WeakPolarHBondContact O-CB 3.33Å; R387-H390 PolarHBondContact O-N 2.99Å; H390-R392 PolarHBondContact O-N 2.83Å; H390-R393 PolarHBondContact CD2-NH2 3.23Å; H390-R393 PolarHBondContact CE1-NH2 3.44Å; H390-R393 PolarHBondContact NE2-NH2 3.39Å; H390-R393 WeakPolarHBondContact O-CB 3.48Å; H390-R393 VanDerWaalsContact O-CG 3.28Å; H390-R393 WeakPolarHBondContact O-CG 3.4Å; H390-R393 PolarHBondContact O-N 2.86Å; H390-R393 VanDerWaalsContact O-N 3.1Å |
| 391 | W | 92.6 | Very high | 93.2 | Very high | 19 Ų | 19 | 57 Ų | 57 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -58.5 | -27.8 | 177.7 | 64.2 | -92.1 | 0 | 0 | 0 | 113.1 | L236 F334 P355 Y388 F389 R393 S394 Y395 V397 | L236-W391 HydrophobicContact CD1-CE3 4.3Å; L236-W391 HydrophobicContact CD2-CE3 4.07Å; L236-W391 HydrophobicContact CD2-CH2 4.24Å; L236-W391 HydrophobicContact CD2-CZ3 3.57Å; F334-W391 HydrophobicContact CB-CH2 4.16Å; F334-W391 HydrophobicContact CB-CZ2 4.27Å; F334-W391 HydrophobicContact CD1-CH2 4.4Å; F334-W391 AromaticContact CD1-CZ2 3.8Å; F334-W391 HydrophobicContact CD1-CZ2 3.8Å; F334-W391 AromaticContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CZ2 4.1Å; F334-W391 HydrophobicContact CE1-CZ2 4.03Å; F334-W391 HydrophobicContact CE2-CH2 4.38Å; F334-W391 HydrophobicContact CE2-CZ2 4.33Å; F334-W391 AromaticContact CG-CH2 3.95Å; F334-W391 HydrophobicContact CG-CH2 3.95Å; F334-W391 AromaticContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CZ-CZ2 4.31Å; P355-W391 HydrophobicContact CB-CB 4.34Å; P355-W391 HydrophobicContact CG-CB 3.86Å; Y388-W391 PolarHBondContact O-NE1 3.24Å; F389-W391 PolarHBondContact O-N 3.47Å; W391-R393 PolarHBondContact O-N 3.4Å; W391-R393 VanDerWaalsContact O-N 3.13Å; W391-S394 PolarHBondContact O-N 2.98Å; W391-Y395 WeakPolarHBondContact O-CD2 3.44Å; W391-Y395 PolarHBondContact O-N 2.91Å; W391-V397 HydrophobicContact CH2-CG2 3.55Å; W391-V397 HydrophobicContact CZ3-CG2 3.82Å |
| 392 | R | 89.2 | Confident | 92.9 | Very high | 26 Ų | 26 | 57 Ų | 57 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -67.2 | -11.4 | 178.4 | -68.1 | 179.4 | 146.9 | -92.1 | 1.6 | 113.9 | R239 F334 F389 H390 S394 | R239-R392 PolarHBondContact NH1-O 2.94Å; R239-R392 VanDerWaalsContact NH1-O 3.15Å; F334-R392 PolarHBondContact O-NH2 3.29Å; F389-R392 WeakPolarHBondContact O-CB 3.13Å; F389-R392 PolarHBondContact O-N 2.64Å; F389-R392 VanDerWaalsContact O-N 3.09Å; H390-R392 PolarHBondContact O-N 2.83Å; R392-S394 VanDerWaalsContact C-N 3.31Å |
| 393 | R | 87.2 | Confident | 92.8 | Very high | 166 Ų | 166 | 57.1 Ų | 57.1 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -67 | -37 | 170.9 | -62.7 | -179.1 | -142 | -111.4 | 7.9 | 111.3 | H390 W391 | H390-R393 PolarHBondContact CD2-NH2 3.23Å; H390-R393 PolarHBondContact CE1-NH2 3.44Å; H390-R393 PolarHBondContact NE2-NH2 3.39Å; H390-R393 WeakPolarHBondContact O-CB 3.48Å; H390-R393 VanDerWaalsContact O-CG 3.28Å; H390-R393 WeakPolarHBondContact O-CG 3.4Å; H390-R393 PolarHBondContact O-N 2.86Å; H390-R393 VanDerWaalsContact O-N 3.1Å; W391-R393 PolarHBondContact O-N 3.4Å; W391-R393 VanDerWaalsContact O-N 3.13Å |
| 394 | S | 88.1 | Confident | 92.8 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 47% | 0.469 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -22.9 | -172.3 | -54.6 | 0 | 0 | 0 | 0 | 113.1 | P238 R239 W391 R392 | P238-S394 WeakPolarHBondContact CA-O 3.45Å; R239-S394 PolarHBondContact N-O 2.85Å; W391-S394 PolarHBondContact O-N 2.98Å; R392-S394 VanDerWaalsContact C-N 3.31Å |
| 395 | Y | 90.6 | Very high | 92.7 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152 | -173 | -56.6 | -81.1 | 0 | 0 | 0 | 113.4 | L236 Y237 W391 | L236-Y395 HydrophobicContact CB-CD1 4.19Å; L236-Y395 HydrophobicContact CB-CG 4.32Å; L236-Y395 HydrophobicContact CD1-CG 4.4Å; Y237-Y395 VanDerWaalsContact O-CA 3.31Å; Y237-Y395 WeakPolarHBondContact O-CA 3.49Å; W391-Y395 WeakPolarHBondContact O-CD2 3.44Å; W391-Y395 PolarHBondContact O-N 2.91Å |
| 396 | A | 89.3 | Confident | 92.7 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 161.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L236 Y237 R239 P246 | L236-A396 VanDerWaalsContact CA-O 3.29Å; L236-A396 WeakPolarHBondContact CA-O 3.33Å; Y237-A396 HydrophobicContact CD1-CB 4.03Å; Y237-A396 HydrophobicContact CD2-CB 4.06Å; Y237-A396 HydrophobicContact CE1-CB 3.51Å; Y237-A396 HydrophobicContact CE2-CB 3.52Å; Y237-A396 HydrophobicContact CG-CB 4.29Å; Y237-A396 PolarHBondContact N-O 3.01Å; Y237-A396 PolarHBondContact O-N 2.97Å; Y237-A396 WeakPolarHBondContact OH-CB 3.38Å; R239-A396 HydrophobicContact CG-CB 3.86Å; P246-A396 HydrophobicContact CB-CB 3.31Å; P246-A396 HydrophobicContact CG-CB 4.36Å |
| 397 | V | 91.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125 | -179.8 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | L236 W330 F334 L335 W391 I399 | L236-V397 HydrophobicContact CD2-CG2 3.77Å; W330-V397 HydrophobicContact CE3-CG1 4.06Å; F334-V397 HydrophobicContact CB-CG2 3.93Å; F334-V397 HydrophobicContact CD2-CG2 3.99Å; F334-V397 HydrophobicContact CG-CG2 4.42Å; L335-V397 HydrophobicContact CD2-CB 3.84Å; L335-V397 HydrophobicContact CD2-CG1 4.01Å; W391-V397 HydrophobicContact CH2-CG2 3.55Å; W391-V397 HydrophobicContact CZ3-CG2 3.82Å; V397-I399 HydrophobicContact CG1-CD1 3.72Å; V397-I399 HydrophobicContact CG1-CG1 4.48Å |
| 398 | H | 92.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 137 | 162.8 | -179.1 | 78.9 | 0 | 0 | 0 | 109.5 | G234 F235 Y237 E405 | G234-H398 CarbonylContact C-O 3.47Å; G234-H398 WeakPolarHBondContact CA-O 3.25Å; F235-H398 HydrophobicContact CD1-CB 4.13Å; F235-H398 AromaticContact CD1-CD2 3.73Å; F235-H398 HydrophobicContact CD2-CB 4.06Å; F235-H398 HydrophobicContact CE1-CB 3.85Å; F235-H398 AromaticContact CE1-CD2 3.06Å; F235-H398 WeakPolarHBondContact CE1-CD2 3.33Å; F235-H398 AromaticContact CE1-CG 3.59Å; F235-H398 AromaticContact CE1-NE2 3.83Å; F235-H398 HydrophobicContact CE2-CB 3.74Å; F235-H398 HydrophobicContact CG-CB 4.23Å; F235-H398 HydrophobicContact CZ-CB 3.62Å; F235-H398 AromaticContact CZ-CD2 3.49Å; F235-H398 VanDerWaalsContact CZ-CD2 3.49Å; F235-H398 WeakPolarHBondContact CZ-CD2 3.43Å; F235-H398 AromaticContact CZ-CG 3.53Å; F235-H398 PolarHBondContact N-O 2.88Å; F235-H398 VanDerWaalsContact N-O 3.12Å; F235-H398 PolarHBondContact O-N 2.97Å; Y237-H398 HydrophobicContact CD1-CB 4.05Å; Y237-H398 HydrophobicContact CE1-CB 4.21Å; H398-E405 IonicContact CD2-OE1 3.82Å; H398-E405 IonicContact CE1-OE1 3.57Å; H398-E405 IonicContact CE1-OE2 2.9Å; H398-E405 IonicContact NE2-OE1 2.88Å; H398-E405 PolarHBondContact NE2-OE1 3.13Å; H398-E405 IonicContact NE2-OE2 3.31Å; H398-E405 PolarHBondContact NE2-OE2 3.16Å |
| 399 | I | 94.6 | Very high | 92.8 | Very high | 50 Ų | 50 | 40 Ų | 40 | 26% | 0.256 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.7 | 170.1 | -57.5 | -57.1 | 0 | 0 | 0 | 107.9 | W330 R331 L335 V397 S401 | W330-I399 HydrophobicContact CB-CD1 3.53Å; R331-I399 HydrophobicContact CB-CD1 4.09Å; L335-I399 HydrophobicContact CD1-CD1 3.97Å; L335-I399 HydrophobicContact CD1-CG1 3.41Å; L335-I399 VanDerWaalsContact CD1-CG1 3.41Å; L335-I399 HydrophobicContact CD2-CG1 4.49Å; L335-I399 HydrophobicContact CG-CD1 4.08Å; L335-I399 HydrophobicContact CG-CG1 4.03Å; V397-I399 HydrophobicContact CG1-CD1 3.72Å; V397-I399 HydrophobicContact CG1-CG1 4.48Å; I399-S401 PolarHBondContact O-N 2.7Å |
| 400 | T | 95.4 | Very high | 93 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | trans | -64 | 130.5 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | V231 P232 Y233 F402 E405 | V231-T400 HydrophobicContact CG1-CG2 3.54Å; P232-T400 VanDerWaalsContact O-CB 3.3Å; P232-T400 WeakPolarHBondContact O-CB 3.47Å; P232-T400 PolarHBondContact O-OG1 3.1Å; Y233-T400 PolarHBondContact O-N 2.88Å; T400-F402 HydrophobicContact CG2-CD2 3.94Å; T400-F402 HydrophobicContact CG2-CE1 4.17Å; T400-F402 HydrophobicContact CG2-CE2 3.51Å; T400-F402 HydrophobicContact CG2-CG 4.46Å; T400-F402 HydrophobicContact CG2-CZ 3.63Å; T400-F402 PolarHBondContact O-N 3.12Å; T400-F402 VanDerWaalsContact O-N 3.13Å; T400-E405 VanDerWaalsContact CA-OE2 3.27Å; T400-E405 WeakPolarHBondContact CA-OE2 3.45Å; T400-E405 HydrophobicContact CG2-CB 4.09Å; T400-E405 HydrophobicContact CG2-CG 4.23Å | ||
| 401 | S | 94.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | trans | -84.1 | 86.2 | 179.4 | -168.8 | 0 | 0 | 0 | 0 | 110.8 | R115 I399 W403 D404 E405 | R115-S401 PolarHBondContact NH2-OG 3.49Å; R115-S401 VanDerWaalsContact NH2-OG 3.1Å; I399-S401 PolarHBondContact O-N 2.7Å; S401-W403 CarbonylContact O-C 3.46Å; S401-D404 PolarHBondContact O-N 2.89Å; S401-E405 PolarHBondContact N-OE2 2.91Å; S401-E405 PolarHBondContact O-N 3.21Å | ||
| 402 | F | 91.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 38.5 Ų | 38.5 | 29% | 0.289 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 132 | 175.5 | -71.6 | -80.9 | 0 | 0 | 0 | 112.2 | F200 Y233 T400 P406 | F200-F402 AromaticContact CD1-CE1 3.34Å; F200-F402 HydrophobicContact CD1-CE1 3.34Å; F200-F402 AromaticContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD2-CE1 4.02Å; F200-F402 AromaticContact CE1-CE1 3.32Å; F200-F402 HydrophobicContact CE1-CE1 3.32Å; F200-F402 AromaticContact CE1-CZ 3.63Å; F200-F402 HydrophobicContact CE1-CZ 3.63Å; F200-F402 AromaticContact CE2-CE1 4Å; F200-F402 HydrophobicContact CE2-CE1 4Å; F200-F402 AromaticContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CZ 4.26Å; F200-F402 AromaticContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CZ 4.39Å; Y233-F402 AromaticContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CZ 4.4Å; Y233-F402 HydrophobicContact CE1-CE2 4.29Å; Y233-F402 HydrophobicContact CG-CE2 4.13Å; Y233-F402 HydrophobicContact CG-CZ 4.43Å; T400-F402 HydrophobicContact CG2-CD2 3.94Å; T400-F402 HydrophobicContact CG2-CE1 4.17Å; T400-F402 HydrophobicContact CG2-CE2 3.51Å; T400-F402 HydrophobicContact CG2-CG 4.46Å; T400-F402 HydrophobicContact CG2-CZ 3.63Å; T400-F402 PolarHBondContact O-N 3.12Å; T400-F402 VanDerWaalsContact O-N 3.13Å; F402-P406 HydrophobicContact CD1-CG 3.62Å; F402-P406 HydrophobicContact CE1-CG 3.52Å; F402-P406 HydrophobicContact CZ-CG 4.49Å |
| 403 | W | 90.9 | Very high | 93.5 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.8 | -3.3 | 1.5 | -68.1 | 105.1 | 0 | 0 | 0 | 114.9 | F99 H139 M198 F200 S401 E405 P406 W407 | F99-W403 AromaticContact CD2-CD1 3.82Å; F99-W403 AromaticContact CD2-NE1 3.5Å; F99-W403 AromaticContact CE2-CD1 3.65Å; F99-W403 HydrophobicContact CE2-CD2 4.25Å; F99-W403 AromaticContact CE2-CE2 3.59Å; F99-W403 HydrophobicContact CE2-CG 4.29Å; F99-W403 HydrophobicContact CE2-CZ2 4.09Å; F99-W403 AromaticContact CE2-NE1 3.16Å; F99-W403 HydrophobicContact CZ-CZ2 4.12Å; F99-W403 AromaticContact CZ-NE1 4Å; H139-W403 AromaticContact CD2-CH2 3.56Å; H139-W403 AromaticContact CD2-CZ2 3.87Å; H139-W403 AromaticContact NE2-CH2 3.23Å; H139-W403 WeakPolarHBondContact NE2-CH2 3.49Å; H139-W403 AromaticContact NE2-CZ2 3.51Å; M198-W403 HydrophobicContact CE-CD2 4.47Å; M198-W403 HydrophobicContact CE-CE3 3.58Å; M198-W403 HydrophobicContact CE-CH2 4.07Å; M198-W403 HydrophobicContact CE-CZ3 3.34Å; M198-W403 HydrophobicContact SD-CE3 4.1Å; M198-W403 HydrophobicContact SD-CZ3 4.01Å; F200-W403 HydrophobicContact CD2-CH2 4.13Å; F200-W403 AromaticContact CD2-CZ3 3.53Å; F200-W403 HydrophobicContact CD2-CZ3 3.53Å; F200-W403 AromaticContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CG-CZ3 4.38Å; S401-W403 CarbonylContact O-C 3.46Å; W403-E405 PolarHBondContact O-N 3.22Å; W403-P406 WeakPolarHBondContact O-CD 3.5Å; W403-W407 HydrophobicContact CB-CD2 3.99Å; W403-W407 VanDerWaalsContact CB-CE2 3.42Å; W403-W407 HydrophobicContact CB-CE3 4.31Å; W403-W407 HydrophobicContact CB-CH2 3.69Å; W403-W407 HydrophobicContact CB-CZ2 3.29Å; W403-W407 HydrophobicContact CB-CZ3 4.17Å; W403-W407 AromaticContact CG-CZ2 3.98Å; W403-W407 HydrophobicContact CG-CZ2 3.98Å; W403-W407 VanDerWaalsContact O-CD2 3.27Å; W403-W407 VanDerWaalsContact O-CG 3.25Å; W403-W407 PolarHBondContact O-N 2.89Å |
| 404 | D | 93.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.08 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | -169.3 | -57.4 | -40.9 | 0 | 0 | 0 | 113.7 | P110 R115 F116 S401 C408 | P110-D404 HydrophobicContact CB-CB 3.96Å; P110-D404 HydrophobicContact CG-CB 3.74Å; R115-D404 IonicContact CZ-OD2 2.84Å; R115-D404 IonicContact NH1-OD1 3.16Å; R115-D404 IonicContact NH1-OD2 3.18Å; R115-D404 PolarHBondContact NH1-OD2 3.05Å; R115-D404 IonicContact NH2-OD2 2.65Å; R115-D404 PolarHBondContact NH2-OD2 3.28Å; F116-D404 HydrophobicContact CE2-CB 3.94Å; F116-D404 HydrophobicContact CZ-CB 3.88Å; S401-D404 PolarHBondContact O-N 2.89Å; D404-C408 PolarHBondContact O-N 3.44Å; D404-C408 VanDerWaalsContact O-N 3.14Å; D404-C408 PolarHBondContact O-SG 3.43Å |
| 405 | E | 95.9 | Very high | 94 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.7 | -49.2 | -175.1 | -175.8 | 169.5 | -179.6 | 0 | 0 | 113 | F116 H398 T400 S401 W403 W407 C408 Q409 | F116-E405 HydrophobicContact CD1-CB 4.35Å; F116-E405 HydrophobicContact CD1-CG 4.17Å; F116-E405 HydrophobicContact CE1-CB 3.63Å; F116-E405 HydrophobicContact CE1-CG 3.88Å; F116-E405 HydrophobicContact CE2-CB 4.45Å; F116-E405 HydrophobicContact CZ-CB 3.69Å; F116-E405 HydrophobicContact CZ-CG 4.39Å; H398-E405 IonicContact CD2-OE1 3.82Å; H398-E405 IonicContact CE1-OE1 3.57Å; H398-E405 IonicContact CE1-OE2 2.9Å; H398-E405 IonicContact NE2-OE1 2.88Å; H398-E405 PolarHBondContact NE2-OE1 3.13Å; H398-E405 IonicContact NE2-OE2 3.31Å; H398-E405 PolarHBondContact NE2-OE2 3.16Å; T400-E405 VanDerWaalsContact CA-OE2 3.27Å; T400-E405 WeakPolarHBondContact CA-OE2 3.45Å; T400-E405 HydrophobicContact CG2-CB 4.09Å; T400-E405 HydrophobicContact CG2-CG 4.23Å; S401-E405 PolarHBondContact N-OE2 2.91Å; S401-E405 PolarHBondContact O-N 3.21Å; W403-E405 PolarHBondContact O-N 3.22Å; E405-W407 VanDerWaalsContact C-N 3.28Å; E405-W407 PolarHBondContact O-N 3.3Å; E405-C408 PolarHBondContact O-N 2.77Å; E405-Q409 HydrophobicContact CG-CG 4.27Å; E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.44Å; E405-Q409 PolarHBondContact O-N 3.08Å |
| 406 | P | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -51.3 | -42.5 | 171.7 | -26.6 | 29.8 | 0 | 0 | 0 | 114.5 | M198 F200 L221 V231 F402 W403 Q409 T410 | M198-P406 HydrophobicContact SD-CB 4.38Å; F200-P406 HydrophobicContact CE1-CG 4.46Å; F200-P406 HydrophobicContact CE2-CB 4.09Å; F200-P406 HydrophobicContact CE2-CG 4.12Å; F200-P406 HydrophobicContact CZ-CB 3.87Å; F200-P406 HydrophobicContact CZ-CG 3.74Å; L221-P406 HydrophobicContact CD1-CB 4.25Å; L221-P406 HydrophobicContact CD2-CB 3.86Å; L221-P406 HydrophobicContact CG-CB 4.38Å; V231-P406 HydrophobicContact CG1-CG 4.06Å; F402-P406 HydrophobicContact CD1-CG 3.62Å; F402-P406 HydrophobicContact CE1-CG 3.52Å; F402-P406 HydrophobicContact CZ-CG 4.49Å; W403-P406 WeakPolarHBondContact O-CD 3.5Å; P406-Q409 PolarHBondContact O-N 3.04Å; P406-T410 PolarHBondContact O-N 3.48Å; P406-T410 VanDerWaalsContact O-N 3.11Å; P406-T410 PolarHBondContact O-OG1 3.31Å |
| 407 | W | 95.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -48.8 | 177.8 | -61 | -21.1 | 0 | 0 | 0 | 111.5 | L94 W96 P98 P110 L123 L137 W403 E405 Q409 T410 | L94-W407 HydrophobicContact CD1-CD2 3.84Å; L94-W407 HydrophobicContact CD1-CE3 4.01Å; L94-W407 HydrophobicContact CD1-CG 4.28Å; L94-W407 HydrophobicContact CD1-CH2 4.38Å; L94-W407 HydrophobicContact CD1-CZ2 4.21Å; L94-W407 HydrophobicContact CD1-CZ3 4.29Å; L94-W407 HydrophobicContact CD2-CB 4.34Å; L94-W407 HydrophobicContact CD2-CD2 4.3Å; L94-W407 HydrophobicContact CD2-CG 3.92Å; W96-W407 AromaticContact CH2-NE1 3.5Å; W96-W407 HydrophobicContact CZ2-CZ2 4.18Å; W96-W407 AromaticContact CZ2-NE1 3.78Å; P98-W407 HydrophobicContact CB-CH2 3.88Å; P98-W407 HydrophobicContact CB-CZ2 4.22Å; P98-W407 HydrophobicContact CG-CH2 4.19Å; P110-W407 HydrophobicContact CG-CE3 4.24Å; L123-W407 HydrophobicContact CD1-CB 3.83Å; L123-W407 HydrophobicContact CD1-CE3 4.48Å; L123-W407 HydrophobicContact CD2-CB 4.16Å; L137-W407 VanDerWaalsContact CD2-CD1 3.44Å; L137-W407 HydrophobicContact CD2-CG 4.47Å; W403-W407 HydrophobicContact CB-CD2 3.99Å; W403-W407 VanDerWaalsContact CB-CE2 3.42Å; W403-W407 HydrophobicContact CB-CE3 4.31Å; W403-W407 HydrophobicContact CB-CH2 3.69Å; W403-W407 HydrophobicContact CB-CZ2 3.29Å; W403-W407 HydrophobicContact CB-CZ3 4.17Å; W403-W407 AromaticContact CG-CZ2 3.98Å; W403-W407 HydrophobicContact CG-CZ2 3.98Å; W403-W407 VanDerWaalsContact O-CD2 3.27Å; W403-W407 VanDerWaalsContact O-CG 3.25Å; W403-W407 PolarHBondContact O-N 2.89Å; E405-W407 VanDerWaalsContact C-N 3.28Å; E405-W407 PolarHBondContact O-N 3.3Å; W407-Q409 VanDerWaalsContact C-N 3.35Å; W407-Q409 PolarHBondContact O-N 3.4Å; W407-T410 VanDerWaalsContact O-CB 3.25Å; W407-T410 WeakPolarHBondContact O-CB 3.41Å; W407-T410 PolarHBondContact O-N 2.76Å; W407-T410 VanDerWaalsContact O-N 3.13Å |
| 408 | C | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 179.1 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | C112 F116 I118 D404 E405 T410 C411 R412 | C112-C408 WeakPolarHBondContact CA-SG 3.49Å; C112-C408 HydrophobicContact CB-CB 3.64Å; C112-C408 WeakPolarHBondContact CB-SG 3.39Å; C112-C408 WeakPolarHBondContact SG-CA 3.39Å; C112-C408 WeakPolarHBondContact SG-CB 3.3Å; C112-C408 CovalentContact SG-SG 2.03Å; C112-C408 PolarHBondContact SG-SG 2.89Å; F116-C408 HydrophobicContact CD2-CB 3.69Å; F116-C408 WeakPolarHBondContact CD2-SG 3.45Å; F116-C408 HydrophobicContact CE2-CB 4.19Å; F116-C408 HydrophobicContact CG-CB 4.39Å; I118-C408 HydrophobicContact CD1-CB 3.91Å; I118-C408 VanDerWaalsContact CD1-O 3.27Å; I118-C408 WeakPolarHBondContact CD1-O 3.3Å; D404-C408 PolarHBondContact O-N 3.44Å; D404-C408 VanDerWaalsContact O-N 3.14Å; D404-C408 PolarHBondContact O-SG 3.43Å; E405-C408 PolarHBondContact O-N 2.77Å; C408-T410 PolarHBondContact O-N 3.25Å; C408-C411 WeakPolarHBondContact O-CB 3.45Å; C408-C411 PolarHBondContact O-N 3.36Å; C408-R412 PolarHBondContact O-N 3.45Å |
| 409 | Q | 97.2 | Very high | 91.8 | Very high | 43 Ų | 43 | 38 Ų | 38 | 20% | 0.201 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -27.9 | 173.7 | -69.5 | -60.9 | -16.7 | 0 | 0 | 112.4 | I229 V231 E405 P406 W407 R412 A413 | I229-Q409 HydrophobicContact CG2-CB 4.02Å; V231-Q409 HydrophobicContact CG2-CB 4.05Å; V231-Q409 HydrophobicContact CG2-CG 4.06Å; E405-Q409 HydrophobicContact CG-CG 4.27Å; E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.44Å; E405-Q409 PolarHBondContact O-N 3.08Å; P406-Q409 PolarHBondContact O-N 3.04Å; W407-Q409 VanDerWaalsContact C-N 3.35Å; W407-Q409 PolarHBondContact O-N 3.4Å; Q409-R412 PolarHBondContact O-N 3.24Å; Q409-A413 WeakPolarHBondContact O-CB 3.37Å; Q409-A413 PolarHBondContact O-N 3.39Å |
| 410 | T | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 172.8 | -53 | 0 | 0 | 0 | 0 | 111.2 | V92 V196 L221 I229 P406 W407 C408 R412 A413 V414 | V92-T410 HydrophobicContact CG1-CG2 3.82Å; V92-T410 HydrophobicContact CG2-CG2 4.05Å; V196-T410 HydrophobicContact CG2-CG2 4.25Å; L221-T410 WeakPolarHBondContact CD2-OG1 3.36Å; I229-T410 HydrophobicContact CD1-CG2 3.94Å; P406-T410 PolarHBondContact O-N 3.48Å; P406-T410 VanDerWaalsContact O-N 3.11Å; P406-T410 PolarHBondContact O-OG1 3.31Å; W407-T410 VanDerWaalsContact O-CB 3.25Å; W407-T410 WeakPolarHBondContact O-CB 3.41Å; W407-T410 PolarHBondContact O-N 2.76Å; W407-T410 VanDerWaalsContact O-N 3.13Å; C408-T410 PolarHBondContact O-N 3.25Å; T410-R412 VanDerWaalsContact C-N 3.34Å; T410-R412 PolarHBondContact O-N 3.32Å; T410-A413 PolarHBondContact O-N 3.25Å; T410-V414 VanDerWaalsContact O-CG2 3.32Å; T410-V414 WeakPolarHBondContact O-CG2 3.41Å; T410-V414 PolarHBondContact O-N 2.87Å |
| 411 | C | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 173.7 | -74.9 | 0 | 0 | 0 | 0 | 112 | V90 V92 I118 C121 C408 A413 V414 Q415 | V90-C411 HydrophobicContact CG2-CB 3.77Å; V92-C411 HydrophobicContact CG2-CB 4.39Å; V92-C411 VanDerWaalsContact CG2-SG 3.59Å; I118-C411 HydrophobicContact CG2-CB 4.35Å; C121-C411 VanDerWaalsContact CA-SG 3.57Å; C121-C411 HydrophobicContact CB-CB 3.35Å; C121-C411 WeakPolarHBondContact CB-SG 3.41Å; C121-C411 WeakPolarHBondContact SG-CB 3.37Å; C121-C411 CovalentContact SG-SG 2.02Å; C121-C411 PolarHBondContact SG-SG 2.86Å; C408-C411 WeakPolarHBondContact O-CB 3.45Å; C408-C411 PolarHBondContact O-N 3.36Å; C411-A413 VanDerWaalsContact C-N 3.29Å; C411-A413 PolarHBondContact O-N 3.06Å; C411-V414 PolarHBondContact O-N 2.92Å; C411-V414 VanDerWaalsContact O-N 3.17Å; C411-Q415 WeakPolarHBondContact O-CB 3.28Å; C411-Q415 VanDerWaalsContact O-CG 3.26Å; C411-Q415 WeakPolarHBondContact O-CG 3.45Å; C411-Q415 PolarHBondContact O-N 2.9Å |
| 412 | R | 95.6 | Very high | 88.8 | Confident | 95 Ų | 95 | 50.8 Ų | 50.8 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 179.8 | -173.8 | 179.8 | -63 | -161.1 | 1.5 | 111.7 | F116 I118 C408 Q409 T410 Q415 T416 | F116-R412 PolarHBondContact O-NH2 3.16Å; I118-R412 HydrophobicContact CD1-CB 4.13Å; I118-R412 HydrophobicContact CG2-CB 4.33Å; C408-R412 PolarHBondContact O-N 3.45Å; Q409-R412 PolarHBondContact O-N 3.24Å; T410-R412 VanDerWaalsContact C-N 3.34Å; T410-R412 PolarHBondContact O-N 3.32Å; R412-Q415 PolarHBondContact O-N 3.03Å; R412-T416 WeakPolarHBondContact O-CB 3.48Å; R412-T416 WeakPolarHBondContact O-CG2 3.44Å; R412-T416 PolarHBondContact O-N 3.26Å; R412-T416 VanDerWaalsContact O-N 3.11Å; R412-T416 PolarHBondContact O-OG1 2.99Å |
| 413 | A | 94.9 | Very high | 88.2 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W219 I229 Q409 T410 C411 T416 S417 | W219-A413 HydrophobicContact CZ3-CB 4.03Å; I229-A413 HydrophobicContact CD1-CB 3.88Å; I229-A413 HydrophobicContact CG1-CB 3.61Å; I229-A413 HydrophobicContact CG2-CB 4.44Å; Q409-A413 WeakPolarHBondContact O-CB 3.37Å; Q409-A413 PolarHBondContact O-N 3.39Å; T410-A413 PolarHBondContact O-N 3.25Å; C411-A413 VanDerWaalsContact C-N 3.29Å; C411-A413 PolarHBondContact O-N 3.06Å; A413-T416 PolarHBondContact O-N 2.89Å; A413-T416 PolarHBondContact O-OG1 3.25Å; A413-S417 VanDerWaalsContact O-CB 3.25Å; A413-S417 WeakPolarHBondContact O-CB 3.26Å; A413-S417 PolarHBondContact O-N 3.15Å; A413-S417 PolarHBondContact O-OG 3.23Å |
| 414 | V | 93.3 | Very high | 88 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.9 | 179 | 0 | 0 | 0 | 0 | 111.6 | V90 Q134 A135 W219 T410 C411 T416 S417 | V90-V414 HydrophobicContact CB-CG1 4.13Å; V90-V414 HydrophobicContact CG1-CB 4.4Å; V90-V414 HydrophobicContact CG1-CG1 3.82Å; Q134-V414 HydrophobicContact CB-CG1 3.9Å; A135-V414 HydrophobicContact CB-CG2 3.68Å; W219-V414 HydrophobicContact CH2-CG2 4.15Å; W219-V414 HydrophobicContact CZ3-CB 4.45Å; W219-V414 HydrophobicContact CZ3-CG2 3.64Å; T410-V414 VanDerWaalsContact O-CG2 3.32Å; T410-V414 WeakPolarHBondContact O-CG2 3.41Å; T410-V414 PolarHBondContact O-N 2.87Å; C411-V414 PolarHBondContact O-N 2.92Å; C411-V414 VanDerWaalsContact O-N 3.17Å; V414-T416 VanDerWaalsContact C-N 3.28Å; V414-T416 PolarHBondContact O-N 3.4Å; V414-S417 PolarHBondContact O-N 3.38Å; V414-S417 PolarHBondContact O-OG 2.64Å |
| 415 | Q | 92.1 | Very high | 87.5 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 179.9 | -72.9 | 171.3 | -25.9 | 0 | 0 | 113.3 | Q87 R88 V90 S119 G120 C411 R412 | Q87-Q415 VanDerWaalsContact OE1-CB 3.31Å; R88-Q415 PolarHBondContact O-NE2 3.49Å; V90-Q415 HydrophobicContact CB-CG 4.22Å; V90-Q415 HydrophobicContact CG1-CB 4.48Å; V90-Q415 HydrophobicContact CG1-CG 3.57Å; V90-Q415 HydrophobicContact CG2-CG 3.57Å; S119-Q415 PolarHBondContact O-NE2 3.22Å; G120-Q415 PolarHBondContact O-NE2 2.95Å; C411-Q415 WeakPolarHBondContact O-CB 3.28Å; C411-Q415 VanDerWaalsContact O-CG 3.26Å; C411-Q415 WeakPolarHBondContact O-CG 3.45Å; C411-Q415 PolarHBondContact O-N 2.9Å; R412-Q415 PolarHBondContact O-N 3.03Å |
| 416 | T | 89.6 | Confident | 87.1 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -93.3 | -14.3 | -177.4 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | R412 A413 V414 | R412-T416 WeakPolarHBondContact O-CB 3.48Å; R412-T416 WeakPolarHBondContact O-CG2 3.44Å; R412-T416 PolarHBondContact O-N 3.26Å; R412-T416 VanDerWaalsContact O-N 3.11Å; R412-T416 PolarHBondContact O-OG1 2.99Å; A413-T416 PolarHBondContact O-N 2.89Å; A413-T416 PolarHBondContact O-OG1 3.25Å; V414-T416 VanDerWaalsContact C-N 3.28Å; V414-T416 PolarHBondContact O-N 3.4Å |
| 417 | S | 85.3 | Confident | 86.9 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | trans | -70.9 | 134.1 | 174 | 71 | 0 | 0 | 0 | 0 | 110.9 | W219 A413 V414 | W219-S417 VanDerWaalsContact CH2-CB 3.44Å; W219-S417 WeakPolarHBondContact CH2-OG 3.26Å; A413-S417 VanDerWaalsContact O-CB 3.25Å; A413-S417 WeakPolarHBondContact O-CB 3.26Å; A413-S417 PolarHBondContact O-N 3.15Å; A413-S417 PolarHBondContact O-OG 3.23Å; V414-S417 PolarHBondContact O-N 3.38Å; V414-S417 PolarHBondContact O-OG 2.64Å | ||
| 418 | G | 72.2 | Confident | 86.7 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | trans | -75.7 | -179.1 | 162 | 0 | 0 | 0 | 0 | 0 | 111.5 | R194 Q420 | R194-G418 PolarHBondContact NH2-O 2.94Å; G418-Q420 PolarHBondContact O-N 3.28Å | ||
| 419 | D | 71.3 | Confident | 86.4 | Confident | 148 Ų | 148 | 57.9 Ų | 57.9 | 79% | 0.791 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -75.4 | 13.2 | -176.3 | -61.6 | -41.5 | 0 | 0 | 0 | 114.4 | P421 | D419-P421 WeakPolarHBondContact O-CD 3.37Š|
| 420 | Q | 67.9 | Low | 86.1 | Confident | 155 Ų | 155 | 57.2 Ų | 57.2 | 72% | 0.724 | 32% | 0.315 | S | S | * | . | trans | -65.8 | 121.2 | -174.9 | -66.9 | -61.7 | -25.8 | 0 | 0 | 111.7 | R194 G418 K422 | R194-Q420 PolarHBondContact NH2-O 2.87Å; G418-Q420 PolarHBondContact O-N 3.28Å; Q420-K422 PolarHBondContact O-N 2.84Å | ||
| 421 | P | 70.6 | Confident | 86 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 71% | 0.714 | 32% | 0.315 | S | S | * | . | trans | -69.1 | 132 | 176.2 | 27.3 | -31.3 | 0 | 0 | 0 | 109.9 | D419 | D419-P421 WeakPolarHBondContact O-CD 3.37Š| ||
| 422 | K | 80.9 | Confident | 85.7 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | trans | -135.1 | 138.6 | 172.9 | -172.5 | 177.6 | -179.7 | -178.2 | 0 | 109 | N218 D228 Q420 | N218-K422 VanDerWaalsContact CA-O 3.27Å; N218-K422 WeakPolarHBondContact CA-O 3.36Å; N218-K422 WeakPolarHBondContact CB-O 3.37Å; N218-K422 PolarHBondContact ND2-O 2.77Å; D228-K422 WeakPolarHBondContact OD1-CD 3.43Å; D228-K422 WeakPolarHBondContact OD1-CE 3.14Å; D228-K422 IonicContact OD1-NZ 2.62Å; D228-K422 PolarHBondContact OD1-NZ 2.99Å; D228-K422 IonicContact OD2-NZ 3.73Å; Q420-K422 PolarHBondContact O-N 2.84Å | ||
| 423 | S | 80.9 | Confident | 85.1 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 43% | 0.427 | 35% | 0.353 | S | S | . | . | trans | -130 | 149.9 | 168.1 | 64.8 | 0 | 0 | 0 | 0 | 109.9 | D215 | D215-S423 WeakPolarHBondContact OD1-CB 3.5Å; D215-S423 PolarHBondContact OD1-OG 3.31Å | ||
| 424 | I | 84.9 | Confident | 84.6 | Confident | 20 Ų | 20 | 69 Ų | 69 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | trans | -96.8 | 101.7 | 172.5 | -60.8 | 155.7 | 0 | 0 | 0 | 107 | D215 F217 T220 N426 L427 | D215-I424 WeakPolarHBondContact CA-O 3.34Å; D215-I424 PolarHBondContact N-O 3.29Å; F217-I424 HydrophobicContact CB-CD1 4.13Å; F217-I424 PolarHBondContact O-N 2.78Å; T220-I424 HydrophobicContact CG2-CD1 3.29Å; T220-I424 HydrophobicContact CG2-CG1 4.46Å; I424-N426 PolarHBondContact O-N 2.81Å; I424-L427 HydrophobicContact CD1-CD1 4.44Å; I424-L427 HydrophobicContact CG2-CB 4.16Å; I424-L427 HydrophobicContact CG2-CD1 4.19Å | ||
| 425 | H | 84.6 | Confident | 84.2 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -56.9 | -48.2 | -174.6 | -175 | 61.4 | 0 | 0 | 0 | 112.9 | K214 D215 | K214-H425 VanDerWaalsContact CA-O 3.25Å; K214-H425 WeakPolarHBondContact CA-O 3.35Å; K214-H425 WeakPolarHBondContact CB-O 3.44Å; K214-H425 WeakPolarHBondContact CG-O 3.37Å; D215-H425 PolarHBondContact N-O 2.76Å; D215-H425 VanDerWaalsContact OD1-CA 3.27Å; D215-H425 WeakPolarHBondContact OD1-CA 3.16Å; D215-H425 IonicContact OD1-ND1 3.72Å; D215-H425 IonicContact OD2-CE1 3.6Å; D215-H425 IonicContact OD2-CG 3.89Å; D215-H425 IonicContact OD2-ND1 2.83Å; D215-H425 PolarHBondContact OD2-ND1 3.37Å |
| 426 | N | 87 | Confident | 83.7 | Confident | 42 Ų | 42 | 74.2 Ų | 74.2 | 23% | 0.225 | 39% | 0.39 | C | S | . | . | trans | -137.8 | 102.4 | 174.5 | -171.3 | -24.1 | 0 | 0 | 0 | 110.4 | I424 A428 D429 W430 | I424-N426 PolarHBondContact O-N 2.81Å; N426-A428 VanDerWaalsContact C-N 3.31Å; N426-A428 PolarHBondContact O-N 2.84Å; N426-A428 WeakPolarHBondContact OD1-CB 3.43Å; N426-A428 PolarHBondContact OD1-N 3.04Å; N426-D429 HydrophobicContact CB-CB 3.93Å; N426-D429 VanDerWaalsContact CG-OD2 3.24Å; N426-D429 PolarHBondContact ND2-OD1 3.49Å; N426-D429 PolarHBondContact ND2-OD2 3.45Å; N426-D429 PolarHBondContact O-N 3.07Å; N426-D429 PolarHBondContact OD1-N 3.23Å; N426-W430 PolarHBondContact O-N 3.18Å | ||
| 427 | L | 91.3 | Very high | 83.4 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | -179.7 | -178 | 67.8 | 0 | 0 | 0 | 112.1 | W197 L209 L212 F217 T220 I424 W430 F431 | W197-L427 HydrophobicContact CB-CD2 4.25Å; W197-L427 HydrophobicContact CD2-CD1 3.89Å; W197-L427 HydrophobicContact CD2-CD2 3.72Å; W197-L427 HydrophobicContact CD2-CG 4.31Å; W197-L427 HydrophobicContact CE3-CD1 3.82Å; W197-L427 HydrophobicContact CE3-CD2 4.49Å; W197-L427 HydrophobicContact CG-CD1 4.23Å; W197-L427 HydrophobicContact CG-CD2 3.6Å; W197-L427 HydrophobicContact CZ2-CD2 4.42Å; W197-L427 HydrophobicContact CZ3-CD1 4.25Å; L209-L427 HydrophobicContact CD2-CD2 3.83Å; L209-L427 HydrophobicContact CD2-CG 4.13Å; L212-L427 HydrophobicContact CD1-CD2 3.87Å; F217-L427 HydrophobicContact CD2-CD2 4Å; F217-L427 HydrophobicContact CE2-CD2 4.27Å; T220-L427 HydrophobicContact CG2-CD1 3.8Å; I424-L427 HydrophobicContact CD1-CD1 4.44Å; I424-L427 HydrophobicContact CG2-CB 4.16Å; I424-L427 HydrophobicContact CG2-CD1 4.19Å; L427-W430 HydrophobicContact CD1-CE3 3.86Å; L427-W430 HydrophobicContact CD1-CZ3 4.06Å; L427-W430 PolarHBondContact O-N 2.78Å; L427-F431 WeakPolarHBondContact O-CB 3.34Å; L427-F431 PolarHBondContact O-N 2.93Å |
| 428 | A | 92 | Very high | 83.3 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | L209 R210 N426 W430 F431 Q432 | L209-A428 HydrophobicContact CB-CB 3.84Å; R210-A428 HydrophobicContact CG-CB 3.76Å; N426-A428 VanDerWaalsContact C-N 3.31Å; N426-A428 PolarHBondContact O-N 2.84Å; N426-A428 WeakPolarHBondContact OD1-CB 3.43Å; N426-A428 PolarHBondContact OD1-N 3.04Å; A428-W430 VanDerWaalsContact C-N 3.27Å; A428-W430 PolarHBondContact O-N 3.47Å; A428-F431 PolarHBondContact O-N 3.24Å; A428-Q432 VanDerWaalsContact O-CB 3.24Å; A428-Q432 WeakPolarHBondContact O-CB 3.45Å; A428-Q432 VanDerWaalsContact O-CG 3.3Å; A428-Q432 WeakPolarHBondContact O-CG 3.38Å; A428-Q432 PolarHBondContact O-N 2.58Å |
| 429 | D | 90.6 | Very high | 84 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 178.8 | -68.9 | -9.7 | 0 | 0 | 0 | 111.6 | N426 R433 | N426-D429 HydrophobicContact CB-CB 3.93Å; N426-D429 VanDerWaalsContact CG-OD2 3.24Å; N426-D429 PolarHBondContact ND2-OD1 3.49Å; N426-D429 PolarHBondContact ND2-OD2 3.45Å; N426-D429 PolarHBondContact O-N 3.07Å; N426-D429 PolarHBondContact OD1-N 3.23Å; D429-R433 VanDerWaalsContact O-CD 3.31Å; D429-R433 WeakPolarHBondContact O-CD 3.45Å; D429-R433 WeakPolarHBondContact O-CG 3.37Å; D429-R433 PolarHBondContact O-NE 3.35Å |
| 430 | W | 92.1 | Very high | 84.9 | Confident | 30 Ų | 30 | 71.5 Ų | 71.5 | 11% | 0.114 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.1 | -51.3 | 174.3 | 167.4 | 75.6 | 0 | 0 | 0 | 111.1 | W197 T220 R224 D226 N426 L427 A428 | W197-W430 HydrophobicContact CE3-CZ3 4.22Å; W197-W430 HydrophobicContact CH2-CZ3 4.42Å; W197-W430 HydrophobicContact CZ3-CH2 4.29Å; W197-W430 AromaticContact CZ3-CZ3 3.65Å; W197-W430 HydrophobicContact CZ3-CZ3 3.65Å; T220-W430 HydrophobicContact CG2-CE3 4Å; T220-W430 HydrophobicContact CG2-CH2 3.67Å; T220-W430 HydrophobicContact CG2-CZ2 4.39Å; T220-W430 HydrophobicContact CG2-CZ3 3.44Å; T220-W430 VanDerWaalsContact CG2-CZ3 3.44Å; R224-W430 HydrophobicContact CB-CZ2 4.33Å; R224-W430 PolarHBondContact NH1-O 3.14Å; R224-W430 PolarHBondContact NH2-O 3.45Å; D226-W430 PolarHBondContact OD2-NE1 3.02Å; N426-W430 PolarHBondContact O-N 3.18Å; L427-W430 HydrophobicContact CD1-CE3 3.86Å; L427-W430 HydrophobicContact CD1-CZ3 4.06Å; L427-W430 PolarHBondContact O-N 2.78Å; A428-W430 VanDerWaalsContact C-N 3.27Å; A428-W430 PolarHBondContact O-N 3.47Å |
| 431 | F | 93.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.7 | -32.4 | -169.7 | -163.3 | -117.5 | 0 | 0 | 0 | 113.5 | W197 N199 E201 P203 T206 L209 Y223 R224 L427 A428 | W197-F431 AromaticContact CH2-CD1 3.95Å; W197-F431 HydrophobicContact CH2-CD1 3.95Å; W197-F431 AromaticContact CH2-CD2 3.72Å; W197-F431 HydrophobicContact CH2-CD2 3.72Å; W197-F431 AromaticContact CH2-CE1 3.98Å; W197-F431 HydrophobicContact CH2-CE1 3.98Å; W197-F431 AromaticContact CH2-CE2 3.79Å; W197-F431 HydrophobicContact CH2-CE2 3.79Å; W197-F431 AromaticContact CH2-CG 3.81Å; W197-F431 HydrophobicContact CH2-CG 3.81Å; W197-F431 AromaticContact CH2-CZ 3.91Å; W197-F431 HydrophobicContact CH2-CZ 3.91Å; W197-F431 AromaticContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CE2 4.11Å; W197-F431 HydrophobicContact CZ3-CG 4.43Å; N199-F431 WeakPolarHBondContact ND2-CE1 3.34Å; N199-F431 WeakPolarHBondContact ND2-CZ 3.41Å; E201-F431 VanDerWaalsContact O-CZ 3.27Å; E201-F431 WeakPolarHBondContact O-CZ 3.31Å; P203-F431 HydrophobicContact CB-CD1 4.12Å; P203-F431 HydrophobicContact CB-CE1 4.19Å; P203-F431 HydrophobicContact CG-CD1 3.8Å; P203-F431 HydrophobicContact CG-CE1 3.72Å; P203-F431 HydrophobicContact CG-CG 4.39Å; P203-F431 HydrophobicContact CG-CZ 4.21Å; P203-F431 WeakPolarHBondContact CG-O 3.49Å; T206-F431 HydrophobicContact CG2-CD1 4.27Å; T206-F431 HydrophobicContact CG2-CE1 3.98Å; L209-F431 HydrophobicContact CD1-CB 4.15Å; L209-F431 HydrophobicContact CD1-CD1 3.62Å; L209-F431 HydrophobicContact CD1-CG 4.3Å; Y223-F431 HydrophobicContact CE1-CE2 4.49Å; Y223-F431 HydrophobicContact CE1-CZ 4.14Å; R224-F431 HydrophobicContact CG-CE2 4.29Å; R224-F431 PolarHBondContact NH1-O 3.48Å; L427-F431 WeakPolarHBondContact O-CB 3.34Å; L427-F431 PolarHBondContact O-N 2.93Å; A428-F431 PolarHBondContact O-N 3.24Å |
| 432 | Q | 90.3 | Very high | 87.5 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 4.6 | -174.6 | -60.7 | -178.3 | -21.1 | 0 | 0 | 114.7 | P203 L209 R210 A428 | P203-Q432 HydrophobicContact CB-CG 4.43Å; L209-Q432 HydrophobicContact CD1-CG 4.3Å; R210-Q432 VanDerWaalsContact NH2-OE1 3.16Å; A428-Q432 VanDerWaalsContact O-CB 3.24Å; A428-Q432 WeakPolarHBondContact O-CB 3.45Å; A428-Q432 VanDerWaalsContact O-CG 3.3Å; A428-Q432 WeakPolarHBondContact O-CG 3.38Å; A428-Q432 PolarHBondContact O-N 2.58Å |
| 433 | R | 82.3 | Confident | 88.1 | Confident | 223 Ų | 223 | 58.1 Ų | 58.1 | 84% | 0.842 | 27% | 0.272 | S | S | * | . | trans | -62.7 | 0 | 176.5 | -88.4 | 164.5 | -150.9 | -165.6 | 5.7 | 113.8 | D429 | D429-R433 VanDerWaalsContact O-CD 3.31Å; D429-R433 WeakPolarHBondContact O-CD 3.45Å; D429-R433 WeakPolarHBondContact O-CG 3.37Å; D429-R433 PolarHBondContact O-NE 3.35Å |
Retrieved 433 of 433 residues in 1012.5 ms
(Link to these results)