| 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 | 36.2 | Very low | 38.2 | Very low | 248 Ų | 248 | 128.5 Ų | 128.5 | 100% | 1.222 | 84% | 0.835 | S | S | * | * | 0 | 134.8 | 0 | -63 | 167 | 170.8 | 0 | 0 | 107.2 | |||||
| 2 | A | 37.5 | Very low | 38 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | cis | -151.2 | 129.1 | -17.1 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 3 | A | 36 | Very low | 37.9 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | 54.2 | 104.1 | 82.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 4 | A | 38.9 | Very low | 38.5 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | 178.1 | 123.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 5 | E | 40.3 | Very low | 39.1 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -81.3 | 165.8 | 144.3 | -68.1 | -176 | 107.7 | 0 | 0 | 109 | ||||
| 6 | P | 54.5 | Low | 38.9 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | -144.1 | 131.1 | 128.9 | 32.8 | -16.5 | 0 | 0 | 0 | 116.7 | |||||
| 7 | A | 37.8 | Very low | 38.8 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | 39.4 | 109.6 | 132.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 8 | S | 36.8 | Very low | 38.8 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | 22.4 | 125.3 | 116.1 | -172.5 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 9 | S | 36.8 | Very low | 38.7 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | 169.8 | 132.8 | 111.8 | -75.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 10 | G | 32.7 | Very low | 38.7 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | 94 | 109.8 | 126.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 11 | Q | 32.8 | Very low | 38.7 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | 70.1 | 161.8 | 146 | -52.8 | -174.3 | 20.9 | 0 | 0 | 117 | ||||
| 12 | Q | 35.6 | Very low | 38.9 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | cis | -149.8 | 166.5 | 7.7 | -147.7 | 169.5 | 76.1 | 0 | 0 | 110.7 | ||||
| 13 | A | 36.3 | Very low | 39.1 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -146.1 | 138.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 14 | P | 46.6 | Very low | 39.4 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -103.8 | 168.4 | 167 | 36.4 | -27.8 | 0 | 0 | 0 | 112.9 | ||||
| 15 | P | 47.4 | Very low | 39.4 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -116.6 | 166.8 | -144.9 | 40.5 | -32.6 | 0 | 0 | 0 | 116.9 | ||||
| 16 | G | 36.6 | Very low | 39.7 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -130.6 | 135.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | Q | 37.5 | Very low | 39 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | -97.4 | 144.6 | -174.8 | -64.4 | 178 | -7.4 | 0 | 0 | 112.2 | ||||
| 18 | G | 37.9 | Very low | 39.3 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -166 | 115.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 19 | Q | 37.8 | Very low | 39.6 | Very low | 203 Ų | 203 | 142 Ų | 142 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | trans | -91.2 | 140.1 | -177.1 | -64.2 | -178.5 | 0.7 | 0 | 0 | 111.7 | ||||
| 20 | G | 37.8 | Very low | 39.8 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | -168.4 | 106.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 21 | Q | 38.8 | Very low | 40.2 | Very low | 200 Ų | 200 | 147 Ų | 147 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | trans | -83.3 | 139.1 | -174.9 | -61.8 | 178.2 | 5.7 | 0 | 0 | 112.1 | ||||
| 22 | R | 39.6 | Very low | 40.8 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -150.8 | 140.1 | 156.4 | -153.7 | 171.1 | -174.2 | -147 | -0.7 | 110.6 | ||||
| 23 | P | 42.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 155 | -172.8 | -19.9 | 33.8 | 0 | 0 | 0 | 114.8 | ||
| 24 | Q | 42.3 | Very low | 41.5 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -80 | 146.6 | 170 | -66.5 | -180 | -7.8 | 0 | 0 | 111.7 | ||
| 25 | P | 39.2 | Very low | 41.7 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 146.8 | 169.7 | 33.6 | -33.4 | 0 | 0 | 0 | 112.1 | ||
| 26 | Q | 45.6 | Very low | 42 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 152.2 | 170.2 | -69.9 | 177.6 | -14.8 | 0 | 0 | 111.3 | ||
| 27 | P | 41.5 | Very low | 42.7 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 135.2 | 175.1 | 29.9 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 28 | P | 43.3 | Very low | 43.2 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 136.1 | 178.4 | 29.6 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 29 | Q | 42.5 | Very low | 43.7 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 144.7 | 169.9 | -67.8 | 177.8 | -16 | 0 | 0 | 110.6 | Q31 | Q29-Q31 PolarHBondContact O-N 3.1Š|
| 30 | A | 41.1 | Very low | 43.8 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 88% | 0.884 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 31 | Q | 40.6 | Very low | 44.1 | Very low | 181 Ų | 181 | 152.8 Ų | 152.8 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -118.8 | 140.9 | 166 | -69.4 | -173.2 | -7.2 | 0 | 0 | 109.4 | Q29 | Q29-Q31 PolarHBondContact O-N 3.1Š| ||
| 32 | A | 45.7 | Very low | 44.1 | Very low | 90 Ų | 90 | 147 Ų | 147 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 145.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q34 | A32-Q34 PolarHBondContact O-N 2.82Š|
| 33 | P | 42 | Very low | 43.9 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.9 | -177.8 | 28.1 | -34.5 | 0 | 0 | 0 | 111.7 | ||
| 34 | Q | 45.1 | Very low | 44.2 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 151.8 | 166.8 | -70.5 | -163 | -4.7 | 0 | 0 | 111.2 | A32 | A32-Q34 PolarHBondContact O-N 2.82Š|
| 35 | P | 50.3 | Low | 44.5 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.6 | 176.7 | 29.6 | -35.5 | 0 | 0 | 0 | 111.9 | ||
| 36 | P | 54.6 | Low | 44.7 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 151.4 | 177.8 | 30.7 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 37 | P | 51 | Low | 44.7 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 151.8 | 176.3 | 29.9 | -35.4 | 0 | 0 | 0 | 112 | Q39 | P37-Q39 PolarHBondContact O-N 2.96Š|
| 38 | P | 48.6 | Very low | 45.2 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.3 | -177.8 | 28 | -34.5 | 0 | 0 | 0 | 111.7 | ||
| 39 | Q | 47.4 | Very low | 45.8 | Very low | 190 Ų | 190 | 120.6 Ų | 120.6 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 140.7 | 171 | -66.9 | -174.4 | -8 | 0 | 0 | 110.6 | P37 | P37-Q39 PolarHBondContact O-N 2.96Š|
| 40 | Q | 39.7 | Very low | 46.6 | Very low | 193 Ų | 193 | 122.4 Ų | 122.4 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 150.2 | -178.8 | -74.5 | 176.7 | -37.3 | 0 | 0 | 112.5 | G42 | Q40-G42 PolarHBondContact O-N 3.49Š|
| 41 | L | 46 | Very low | 47.5 | Very low | 189 Ų | 189 | 124 Ų | 124 | 99% | 0.99 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 117.9 | 172.3 | -74.7 | 120.5 | 0 | 0 | 0 | 111 | ||
| 42 | G | 38.6 | Very low | 48.6 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -163.6 | 117.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q40 | Q40-G42 PolarHBondContact O-N 3.49Š| ||
| 43 | G | 35.3 | Very low | 49.9 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | 96.3 | 68.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G45 | G43-G45 PolarHBondContact O-N 3.3Š| ||
| 44 | A | 49 | Very low | 51.8 | Low | 117 Ų | 117 | 119.4 Ų | 119.4 | 97% | 0.967 | 73% | 0.732 | S | S | * | * | trans | -74.5 | 100.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 45 | G | 47 | Very low | 53.7 | Low | 81 Ų | 81 | 114.2 Ų | 114.2 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | trans | 156.2 | 98.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | G43 | G43-G45 PolarHBondContact O-N 3.3Š| ||
| 46 | G | 44.5 | Very low | 55.5 | Low | 61 Ų | 61 | 110.6 Ų | 110.6 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | trans | 160.4 | -18.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | S48 | G46-S48 PolarHBondContact O-N 2.94Š| ||
| 47 | G | 44.9 | Very low | 57 | Low | 72 Ų | 72 | 107.9 Ų | 107.9 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -62.2 | -33.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 48 | S | 52.3 | Low | 58.8 | Low | 82 Ų | 82 | 103.9 Ų | 103.9 | 57% | 0.573 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.8 | -46.6 | -176.3 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | G46 R50 H51 | G46-S48 PolarHBondContact O-N 2.94Å; S48-R50 PolarHBondContact O-N 3.4Å; S48-H51 PolarHBondContact O-N 3.14Å; S48-H51 VanDerWaalsContact O-N 3.11Å |
| 49 | S | 54.9 | Low | 60.8 | Low | 49 Ų | 49 | 99.9 Ų | 99.9 | 34% | 0.343 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -78 | 3.4 | -164.1 | -146.5 | 0 | 0 | 0 | 0 | 115.8 | E52 K53 | S49-E52 WeakPolarHBondContact CA-OE2 3.21Å; S49-E52 PolarHBondContact OG-OE2 3.2Å; S49-K53 PolarHBondContact O-NZ 3.2Å; S49-K53 PolarHBondContact OG-NZ 2.6Å |
| 50 | R | 59.3 | Low | 62.7 | Low | 220 Ų | 220 | 95.1 Ų | 95.1 | 83% | 0.83 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -88.7 | -37.3 | 167.5 | -168.9 | 178.8 | -178.4 | -165.2 | 0.2 | 112.1 | S48 K53 S54 | S48-R50 PolarHBondContact O-N 3.4Å; R50-K53 PolarHBondContact O-N 3.47Å; R50-S54 PolarHBondContact O-N 2.84Å |
| 51 | H | 61.2 | Low | 64.9 | Low | 139 Ų | 139 | 91.3 Ų | 91.3 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.8 | -42.1 | -178 | -172.9 | 89.1 | 0 | 0 | 0 | 111.6 | S48 K53 S54 | S48-H51 PolarHBondContact O-N 3.14Å; S48-H51 VanDerWaalsContact O-N 3.11Å; H51-K53 PolarHBondContact O-N 3.14Å; H51-S54 WeakPolarHBondContact O-CB 3.46Å; H51-S54 PolarHBondContact O-N 2.72Å |
| 52 | E | 64.3 | Low | 67 | Low | 113 Ų | 113 | 82.3 Ų | 82.3 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -20.5 | 174.2 | -63.9 | 165.1 | 175 | 0 | 0 | 114.3 | S49 | S49-E52 WeakPolarHBondContact CA-OE2 3.21Å; S49-E52 PolarHBondContact OG-OE2 3.2Å |
| 53 | K | 71.4 | Confident | 69.3 | Low | 141 Ų | 141 | 80.2 Ų | 80.2 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 11.5 | -177.7 | -55.6 | -176.5 | -170.7 | 102.3 | 0 | 112.5 | S49 R50 H51 | S49-K53 PolarHBondContact O-NZ 3.2Å; S49-K53 PolarHBondContact OG-NZ 2.6Å; R50-K53 PolarHBondContact O-N 3.47Å; H51-K53 PolarHBondContact O-N 3.14Å |
| 54 | S | 82.3 | Confident | 71.7 | Confident | 52 Ų | 52 | 78.6 Ų | 78.6 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | trans | -65.7 | 140 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | R50 H51 G56 L57 L58 | R50-S54 PolarHBondContact O-N 2.84Å; H51-S54 WeakPolarHBondContact O-CB 3.46Å; H51-S54 PolarHBondContact O-N 2.72Å; S54-G56 PolarHBondContact O-N 3.06Å; S54-G56 PolarHBondContact OG-N 3.41Å; S54-L57 PolarHBondContact O-N 3.28Å; S54-L58 PolarHBondContact O-N 2.96Å | ||
| 55 | L | 85.7 | Confident | 73.6 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 37% | 0.372 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.3 | -38.9 | 173.9 | -174.3 | 65.7 | 0 | 0 | 0 | 111.1 | L57 L58 T59 D93 I94 | L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 2.85Å; L55-L58 CarbonylContact O-C 3.56Å; L55-L58 WeakPolarHBondContact O-CA 2.93Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.77Å; L55-L58 VanDerWaalsContact O-N 3.11Å; L55-T59 PolarHBondContact O-N 2.83Å; L55-T59 PolarHBondContact O-OG1 2.94Å; L55-D93 HydrophobicContact CD1-CB 3.99Å; L55-D93 HydrophobicContact CD2-CB 4.02Å; L55-I94 HydrophobicContact CD1-CD1 4.28Å; L55-I94 HydrophobicContact CD1-CG1 3.89Å |
| 56 | G | 87.1 | Confident | 75.4 | Confident | 38 Ų | 38 | 71 Ų | 71 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S54 L58 T59 T60 | S54-G56 PolarHBondContact O-N 3.06Å; S54-G56 PolarHBondContact OG-N 3.41Å; G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 2.89Å; G56-T59 WeakPolarHBondContact O-CB 3.25Å; G56-T59 PolarHBondContact O-N 3.48Å; G56-T60 PolarHBondContact O-N 2.87Å; G56-T60 PolarHBondContact O-OG1 3.42Å; G56-T60 VanDerWaalsContact O-OG1 3.13Å |
| 57 | L | 86.4 | Confident | 77.2 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.1 | -32.7 | 176.7 | -176.7 | 62.6 | 0 | 0 | 0 | 111.8 | S54 L55 K61 | S54-L57 PolarHBondContact O-N 3.28Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 2.85Å; L57-K61 WeakPolarHBondContact O-CG 3.38Å; L57-K61 PolarHBondContact O-N 3.42Å |
| 58 | L | 88.3 | Confident | 78.9 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 170.3 | -63.3 | 177.4 | 0 | 0 | 0 | 111.1 | S54 L55 G56 K61 F62 V85 R90 I94 | S54-L58 PolarHBondContact O-N 2.96Å; L55-L58 CarbonylContact O-C 3.56Å; L55-L58 WeakPolarHBondContact O-CA 2.93Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.77Å; L55-L58 VanDerWaalsContact O-N 3.11Å; G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 2.89Å; L58-K61 PolarHBondContact O-N 2.84Å; L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.19Å; L58-V85 HydrophobicContact CD1-CG2 4.21Å; L58-V85 HydrophobicContact CD2-CG2 3.84Å; L58-R90 HydrophobicContact CD1-CB 4.08Å; L58-R90 HydrophobicContact CD1-CG 4.28Å; L58-I94 HydrophobicContact CB-CD1 3.97Å |
| 59 | T | 90.2 | Very high | 80.3 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | L55 G56 K61 F62 V63 I94 | L55-T59 PolarHBondContact O-N 2.83Å; L55-T59 PolarHBondContact O-OG1 2.94Å; G56-T59 WeakPolarHBondContact O-CB 3.25Å; G56-T59 PolarHBondContact O-N 3.48Å; T59-K61 PolarHBondContact O-N 3.49Å; T59-F62 PolarHBondContact O-N 3.08Å; T59-V63 HydrophobicContact CG2-CG2 4.34Å; T59-V63 WeakPolarHBondContact O-CB 3.42Å; T59-V63 WeakPolarHBondContact O-CG2 3.39Å; T59-V63 PolarHBondContact O-N 3.44Å; T59-I94 HydrophobicContact CG2-CG2 4.32Å |
| 60 | T | 88 | Confident | 81.1 | Confident | 91 Ų | 91 | 79.9 Ų | 79.9 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -56.3 | -50.7 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | G56 F62 V63 S64 | G56-T60 PolarHBondContact O-N 2.87Å; G56-T60 PolarHBondContact O-OG1 3.42Å; G56-T60 VanDerWaalsContact O-OG1 3.13Å; T60-F62 PolarHBondContact O-N 2.87Å; T60-V63 PolarHBondContact O-N 2.84Å; T60-S64 PolarHBondContact O-N 2.87Å; T60-S64 PolarHBondContact O-OG 2.88Å |
| 61 | K | 86.8 | Confident | 81.7 | Confident | 113 Ų | 113 | 74.5 Ų | 74.5 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67 | -35.7 | 179.3 | -66.9 | -180 | 176.1 | -172.3 | 0 | 113 | L57 L58 T59 S64 L65 L83 | L57-K61 WeakPolarHBondContact O-CG 3.38Å; L57-K61 PolarHBondContact O-N 3.42Å; L58-K61 PolarHBondContact O-N 2.84Å; T59-K61 PolarHBondContact O-N 3.49Å; K61-S64 PolarHBondContact O-N 3.49Å; K61-L65 WeakPolarHBondContact O-CG 3.41Å; K61-L65 PolarHBondContact O-N 3.36Å; K61-L83 HydrophobicContact CB-CD2 3.26Å; K61-L83 HydrophobicContact CD-CD2 4.25Å; K61-L83 HydrophobicContact CG-CD2 4.4Å |
| 62 | F | 88.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 175.5 | -175.8 | -86.5 | 0 | 0 | 0 | 111.3 | L58 T59 T60 L65 L66 L74 L76 A79 L83 I91 I94 T95 L98 I112 | L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.19Å; T59-F62 PolarHBondContact O-N 3.08Å; T60-F62 PolarHBondContact O-N 2.87Å; F62-L65 PolarHBondContact O-N 3.27Å; F62-L66 HydrophobicContact CE1-CD2 4.11Å; F62-L66 VanDerWaalsContact O-CB 3.32Å; F62-L66 WeakPolarHBondContact O-CB 3.39Å; F62-L66 PolarHBondContact O-N 3.35Å; F62-L74 HydrophobicContact CD2-CD2 4.47Å; F62-L74 HydrophobicContact CE1-CD2 4.37Å; F62-L74 HydrophobicContact CE2-CD2 4.07Å; F62-L74 HydrophobicContact CZ-CD2 4.03Å; F62-L76 HydrophobicContact CE2-CD2 4.14Å; F62-L76 HydrophobicContact CZ-CD2 4.02Å; F62-A79 HydrophobicContact CD2-CB 4.49Å; F62-A79 HydrophobicContact CE2-CB 4.35Å; F62-L83 HydrophobicContact CB-CD1 3.95Å; F62-L83 HydrophobicContact CD2-CD1 3.74Å; F62-L83 HydrophobicContact CG-CD1 4.35Å; F62-I91 HydrophobicContact CD2-CD1 4.19Å; F62-I91 HydrophobicContact CE2-CD1 4.3Å; F62-I91 HydrophobicContact CE2-CG2 4.01Å; F62-I94 HydrophobicContact CB-CD1 4.2Å; F62-I94 HydrophobicContact CB-CG2 4.44Å; F62-I94 HydrophobicContact CD1-CG2 3.6Å; F62-I94 HydrophobicContact CE1-CG2 3.93Å; F62-I94 HydrophobicContact CG-CD1 4.39Å; F62-I94 HydrophobicContact CG-CG2 4.01Å; F62-T95 HydrophobicContact CZ-CG2 3.86Å; F62-L98 HydrophobicContact CD1-CD1 4.3Å; F62-L98 HydrophobicContact CE1-CD1 4.07Å; F62-I112 HydrophobicContact CE1-CD1 3.88Å; F62-I112 HydrophobicContact CZ-CD1 3.61Å |
| 63 | V | 87.8 | Confident | 83.5 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 175 | 171 | 0 | 0 | 0 | 0 | 111.3 | T59 T60 L66 Q67 | T59-V63 HydrophobicContact CG2-CG2 4.34Å; T59-V63 WeakPolarHBondContact O-CB 3.42Å; T59-V63 WeakPolarHBondContact O-CG2 3.39Å; T59-V63 PolarHBondContact O-N 3.44Å; T60-V63 PolarHBondContact O-N 2.84Å; V63-L66 PolarHBondContact O-N 3.05Å; V63-Q67 HydrophobicContact CG1-CG 4.4Å; V63-Q67 WeakPolarHBondContact O-CG 3.48Å; V63-Q67 PolarHBondContact O-N 3.44Å |
| 64 | S | 86.4 | Confident | 84.3 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 33% | 0.329 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58 | -49.1 | 172 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | T60 K61 L66 Q67 E68 | T60-S64 PolarHBondContact O-N 2.87Å; T60-S64 PolarHBondContact O-OG 2.88Å; K61-S64 PolarHBondContact O-N 3.49Å; S64-L66 PolarHBondContact O-N 3.11Å; S64-Q67 PolarHBondContact O-N 3.36Å; S64-Q67 VanDerWaalsContact O-N 3.12Å; S64-E68 WeakPolarHBondContact O-CB 3.44Å; S64-E68 WeakPolarHBondContact O-CG 3.31Å; S64-E68 PolarHBondContact O-N 3.24Å |
| 65 | L | 87.6 | Confident | 84.6 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 18% | 0.183 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -31.3 | 176.7 | -68.4 | 173.4 | 0 | 0 | 0 | 113 | K61 F62 A69 L74 A79 T82 L83 | K61-L65 WeakPolarHBondContact O-CG 3.41Å; K61-L65 PolarHBondContact O-N 3.36Å; F62-L65 PolarHBondContact O-N 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.44Å; L65-A69 PolarHBondContact O-N 3.43Å; L65-A69 VanDerWaalsContact O-N 3.08Å; L65-L74 HydrophobicContact CB-CD1 4.21Å; L65-L74 HydrophobicContact CB-CD2 4.49Å; L65-A79 HydrophobicContact CD1-CB 4.49Å; L65-T82 HydrophobicContact CD1-CG2 3.94Å; L65-T82 HydrophobicContact CD2-CG2 4Å; L65-L83 HydrophobicContact CD1-CD1 4.32Å; L65-L83 HydrophobicContact CD1-CD2 3.9Å; L65-L83 HydrophobicContact CD1-CG 3.82Å |
| 66 | L | 85.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -77.4 | -23.9 | 177.6 | -171.3 | 53.2 | 0 | 0 | 0 | 113 | F62 V63 S64 L74 I104 I112 W114 | F62-L66 HydrophobicContact CE1-CD2 4.11Å; F62-L66 VanDerWaalsContact O-CB 3.32Å; F62-L66 WeakPolarHBondContact O-CB 3.39Å; F62-L66 PolarHBondContact O-N 3.35Å; V63-L66 PolarHBondContact O-N 3.05Å; S64-L66 PolarHBondContact O-N 3.11Å; L66-L74 HydrophobicContact CB-CD2 4.06Å; L66-L74 HydrophobicContact CD1-CB 3.59Å; L66-L74 HydrophobicContact CD1-CD2 4.12Å; L66-L74 HydrophobicContact CD1-CG 4.49Å; L66-I104 HydrophobicContact CD2-CG2 3.82Å; L66-I112 HydrophobicContact CD1-CD1 4.2Å; L66-I112 HydrophobicContact CD1-CG1 4.43Å; L66-I112 HydrophobicContact CD2-CD1 4.15Å; L66-W114 HydrophobicContact CD1-CB 4.23Å; L66-W114 HydrophobicContact CD2-CD2 4.47Å; L66-W114 HydrophobicContact CD2-CE3 3.5Å; L66-W114 HydrophobicContact CD2-CZ3 4.03Å; L66-W114 HydrophobicContact CG-CB 4.31Å; L66-W114 HydrophobicContact CG-CD2 4.48Å; L66-W114 HydrophobicContact CG-CE3 3.94Å |
| 67 | Q | 81.9 | Confident | 84.7 | Confident | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -86.6 | -31.2 | 172.8 | -70.6 | 172.1 | -6.4 | 0 | 0 | 112.4 | V63 S64 A69 | V63-Q67 HydrophobicContact CG1-CG 4.4Å; V63-Q67 WeakPolarHBondContact O-CG 3.48Å; V63-Q67 PolarHBondContact O-N 3.44Å; S64-Q67 PolarHBondContact O-N 3.36Å; S64-Q67 VanDerWaalsContact O-N 3.12Å; Q67-A69 VanDerWaalsContact C-N 3.29Å |
| 68 | E | 80.5 | Confident | 84.6 | Confident | 148 Ų | 148 | 60.5 Ų | 60.5 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -76.9 | -16.4 | 171.8 | -70.3 | 170.4 | -166.6 | 0 | 0 | 112.5 | S64 K70 | S64-E68 WeakPolarHBondContact O-CB 3.44Å; S64-E68 WeakPolarHBondContact O-CG 3.31Å; S64-E68 PolarHBondContact O-N 3.24Å; E68-K70 PolarHBondContact O-N 2.9Å |
| 69 | A | 81.6 | Confident | 84.6 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.4 | 124.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L65 Q67 G72 L74 | L65-A69 WeakPolarHBondContact O-CB 3.44Å; L65-A69 PolarHBondContact O-N 3.43Å; L65-A69 VanDerWaalsContact O-N 3.08Å; Q67-A69 VanDerWaalsContact C-N 3.29Å; A69-G72 PolarHBondContact O-N 3.44Å; A69-L74 HydrophobicContact CB-CB 4.43Å; A69-L74 HydrophobicContact CB-CD1 4.47Å |
| 70 | K | 71.4 | Confident | 84.4 | Confident | 177 Ų | 177 | 57.5 Ų | 57.5 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -62.4 | 142.5 | 174 | -61.6 | -174.3 | -179 | -177.2 | 0 | 110.6 | E68 G72 V73 | E68-K70 PolarHBondContact O-N 2.9Å; K70-G72 PolarHBondContact O-N 2.86Å; K70-V73 PolarHBondContact O-N 3.33Å; K70-V73 VanDerWaalsContact O-N 3.12Å |
| 71 | D | 72.1 | Confident | 84.2 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | 56.4 | 17.9 | -177.5 | -45 | -48.7 | 0 | 0 | 0 | 114 | V73 G120 | D71-V73 HydrophobicContact CB-CG2 4.43Å; D71-V73 PolarHBondContact O-N 3.3Å; D71-G120 CarbonylContact C-O 3.57Å; D71-G120 VanDerWaalsContact CA-O 3.23Å; D71-G120 WeakPolarHBondContact CA-O 3.29Å; D71-G120 PolarHBondContact N-O 3.29Å |
| 72 | G | 77.7 | Confident | 84 | Confident | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | 67.5 | 13.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A69 K70 Q113 W114 G120 | A69-G72 PolarHBondContact O-N 3.44Å; K70-G72 PolarHBondContact O-N 2.86Å; G72-Q113 CarbonylContact O-C 3.42Å; G72-Q113 WeakPolarHBondContact O-CA 3.46Å; G72-W114 PolarHBondContact O-N 3.33Å; G72-G120 PolarHBondContact N-O 2.99Å |
| 73 | V | 85.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 26% | 0.261 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114 | -172.7 | -177 | 0 | 0 | 0 | 0 | 111.8 | K70 D71 K107 S111 I112 Q113 | K70-V73 PolarHBondContact O-N 3.33Å; K70-V73 VanDerWaalsContact O-N 3.12Å; D71-V73 HydrophobicContact CB-CG2 4.43Å; D71-V73 PolarHBondContact O-N 3.3Å; V73-K107 HydrophobicContact CG1-CD 4.08Å; V73-K107 HydrophobicContact CG2-CD 3.93Å; V73-S111 WeakPolarHBondContact CG1-OG 2.86Å; V73-I112 WeakPolarHBondContact CA-O 3.42Å; V73-Q113 HydrophobicContact CG2-CB 4.36Å; V73-Q113 HydrophobicContact CG2-CG 4.21Å |
| 74 | L | 88.1 | Confident | 82.6 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.8 | 179.5 | -174.4 | 64.7 | 0 | 0 | 0 | 111.9 | F62 L65 L66 A69 A79 S111 I112 | F62-L74 HydrophobicContact CD2-CD2 4.47Å; F62-L74 HydrophobicContact CE1-CD2 4.37Å; F62-L74 HydrophobicContact CE2-CD2 4.07Å; F62-L74 HydrophobicContact CZ-CD2 4.03Å; L65-L74 HydrophobicContact CB-CD1 4.21Å; L65-L74 HydrophobicContact CB-CD2 4.49Å; L66-L74 HydrophobicContact CB-CD2 4.06Å; L66-L74 HydrophobicContact CD1-CB 3.59Å; L66-L74 HydrophobicContact CD1-CD2 4.12Å; L66-L74 HydrophobicContact CD1-CG 4.49Å; A69-L74 HydrophobicContact CB-CB 4.43Å; A69-L74 HydrophobicContact CB-CD1 4.47Å; L74-A79 HydrophobicContact CD1-CB 4.17Å; L74-A79 HydrophobicContact CD2-CB 3.95Å; L74-A79 HydrophobicContact CG-CB 4.08Å; L74-S111 WeakPolarHBondContact O-CA 3.39Å; L74-I112 HydrophobicContact CB-CG1 4.09Å; L74-I112 PolarHBondContact N-O 2.8Å; L74-I112 PolarHBondContact O-N 3.48Å; L74-I112 VanDerWaalsContact O-N 3.08Å |
| 75 | D | 89.3 | Confident | 81.7 | Confident | 69 Ų | 69 | 59.7 Ų | 59.7 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 118.7 | 166 | -178.8 | 2.4 | 0 | 0 | 0 | 109.9 | K77 A78 A79 N110 | D75-K77 PolarHBondContact O-N 2.69Å; D75-K77 WeakPolarHBondContact OD1-CB 3.24Å; D75-K77 PolarHBondContact OD1-N 2.87Å; D75-A78 HydrophobicContact CB-CB 4.23Å; D75-A78 PolarHBondContact O-N 2.63Å; D75-A79 WeakPolarHBondContact O-CB 3.28Å; D75-A79 PolarHBondContact O-N 3.39Å; D75-N110 VanDerWaalsContact OD1-O 3.12Å |
| 76 | L | 89 | Confident | 80.5 | Confident | 28 Ų | 28 | 70 Ų | 70 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.5 | -21.6 | 178.4 | -60.9 | 176.9 | 0 | 0 | 0 | 113 | F62 A80 I91 T95 N110 I112 | F62-L76 HydrophobicContact CE2-CD2 4.14Å; F62-L76 HydrophobicContact CZ-CD2 4.02Å; L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.36Å; L76-A80 PolarHBondContact O-N 3.37Å; L76-A80 VanDerWaalsContact O-N 3.09Å; L76-I91 HydrophobicContact CD2-CG2 3.94Å; L76-T95 HydrophobicContact CD2-CG2 4Å; L76-N110 WeakPolarHBondContact CB-O 3.26Å; L76-N110 WeakPolarHBondContact CG-O 3.27Å; L76-N110 PolarHBondContact N-O 3.36Å; L76-I112 HydrophobicContact CD1-CG2 4.16Å; L76-I112 HydrophobicContact CD2-CD1 4.06Å; L76-I112 HydrophobicContact CD2-CG1 4.01Å; L76-I112 HydrophobicContact CD2-CG2 4.09Å; L76-I112 HydrophobicContact CG-CG2 4.34Å |
| 77 | K | 85.9 | Confident | 79.7 | Confident | 111 Ų | 111 | 75.3 Ų | 75.3 | 48% | 0.483 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72 | -59.3 | 172.1 | -66 | 176.2 | 177.9 | 176.4 | 0 | 110.6 | D75 A79 A80 D81 N110 | D75-K77 PolarHBondContact O-N 2.69Å; D75-K77 WeakPolarHBondContact OD1-CB 3.24Å; D75-K77 PolarHBondContact OD1-N 2.87Å; K77-A79 PolarHBondContact O-N 3.45Å; K77-A80 PolarHBondContact O-N 3.38Å; K77-D81 PolarHBondContact O-N 3.33Å; K77-N110 WeakPolarHBondContact CE-OD1 3.41Å; K77-N110 HydrophobicContact CG-CB 4.4Å |
| 78 | A | 85.2 | Confident | 79.3 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -54.9 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D75 D81 T82 | D75-A78 HydrophobicContact CB-CB 4.23Å; D75-A78 PolarHBondContact O-N 2.63Å; A78-D81 PolarHBondContact O-N 3.33Å; A78-T82 WeakPolarHBondContact O-CB 3.38Å; A78-T82 PolarHBondContact O-N 3.21Å; A78-T82 PolarHBondContact O-OG1 2.78Å |
| 79 | A | 86.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F62 L65 L74 D75 K77 D81 L83 | F62-A79 HydrophobicContact CD2-CB 4.49Å; F62-A79 HydrophobicContact CE2-CB 4.35Å; L65-A79 HydrophobicContact CD1-CB 4.49Å; L74-A79 HydrophobicContact CD1-CB 4.17Å; L74-A79 HydrophobicContact CD2-CB 3.95Å; L74-A79 HydrophobicContact CG-CB 4.08Å; D75-A79 WeakPolarHBondContact O-CB 3.28Å; D75-A79 PolarHBondContact O-N 3.39Å; K77-A79 PolarHBondContact O-N 3.45Å; A79-D81 VanDerWaalsContact C-N 3.3Å; A79-D81 PolarHBondContact O-N 3.18Å; A79-L83 WeakPolarHBondContact O-CB 3.16Å; A79-L83 WeakPolarHBondContact O-CD1 3.39Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.39Å |
| 80 | A | 85.6 | Confident | 79.8 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L76 K77 A84 V85 I91 | L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.36Å; L76-A80 PolarHBondContact O-N 3.37Å; L76-A80 VanDerWaalsContact O-N 3.09Å; K77-A80 PolarHBondContact O-N 3.38Å; A80-A84 PolarHBondContact O-N 3.12Å; A80-V85 PolarHBondContact O-N 3.48Å; A80-V85 VanDerWaalsContact O-N 3.13Å; A80-I91 HydrophobicContact CB-CD1 4.46Å; A80-I91 HydrophobicContact CB-CG1 4.19Å |
| 81 | D | 84.3 | Confident | 80.6 | Confident | 115 Ų | 115 | 70 Ų | 70 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.2 | -49.1 | 179 | -62 | -30.4 | 0 | 0 | 0 | 110.8 | K77 A78 A79 L83 A84 | K77-D81 PolarHBondContact O-N 3.33Å; A78-D81 PolarHBondContact O-N 3.33Å; A79-D81 VanDerWaalsContact C-N 3.3Å; A79-D81 PolarHBondContact O-N 3.18Å; D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 2.94Å; D81-A84 PolarHBondContact O-N 2.97Å |
| 82 | T | 82.3 | Confident | 81.5 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 61% | 0.613 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.2 | -34.9 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | L65 A78 A84 | L65-T82 HydrophobicContact CD1-CG2 3.94Å; L65-T82 HydrophobicContact CD2-CG2 4Å; A78-T82 WeakPolarHBondContact O-CB 3.38Å; A78-T82 PolarHBondContact O-N 3.21Å; A78-T82 PolarHBondContact O-OG1 2.78Å; T82-A84 PolarHBondContact O-N 2.93Å |
| 83 | L | 78.6 | Confident | 82.1 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -0.8 | 175.9 | -64.6 | 169.8 | 0 | 0 | 0 | 113.3 | K61 F62 L65 A79 D81 V85 I91 | K61-L83 HydrophobicContact CB-CD2 3.26Å; K61-L83 HydrophobicContact CD-CD2 4.25Å; K61-L83 HydrophobicContact CG-CD2 4.4Å; F62-L83 HydrophobicContact CB-CD1 3.95Å; F62-L83 HydrophobicContact CD2-CD1 3.74Å; F62-L83 HydrophobicContact CG-CD1 4.35Å; L65-L83 HydrophobicContact CD1-CD1 4.32Å; L65-L83 HydrophobicContact CD1-CD2 3.9Å; L65-L83 HydrophobicContact CD1-CG 3.82Å; A79-L83 WeakPolarHBondContact O-CB 3.16Å; A79-L83 WeakPolarHBondContact O-CD1 3.39Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.39Å; D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 2.94Å; L83-V85 HydrophobicContact CB-CG2 3.55Å; L83-V85 PolarHBondContact O-N 3.46Å; L83-I91 HydrophobicContact CD1-CD1 4Å |
| 84 | A | 70.3 | Confident | 82.4 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 33.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A80 D81 T82 R86 | A80-A84 PolarHBondContact O-N 3.12Å; D81-A84 PolarHBondContact O-N 2.97Å; T82-A84 PolarHBondContact O-N 2.93Å; A84-R86 PolarHBondContact O-N 3.43Å |
| 85 | V | 66.5 | Low | 82.5 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | trans | -77.5 | 93.4 | -168.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L58 A80 L83 Q87 R90 I91 | L58-V85 HydrophobicContact CD1-CG2 4.21Å; L58-V85 HydrophobicContact CD2-CG2 3.84Å; A80-V85 PolarHBondContact O-N 3.48Å; A80-V85 VanDerWaalsContact O-N 3.13Å; L83-V85 HydrophobicContact CB-CG2 3.55Å; L83-V85 PolarHBondContact O-N 3.46Å; V85-Q87 WeakPolarHBondContact CG1-O 3.24Å; V85-Q87 PolarHBondContact O-N 3.48Å; V85-R90 HydrophobicContact CG1-CB 4.02Å; V85-R90 HydrophobicContact CG1-CG 4.44Å; V85-I91 HydrophobicContact CG2-CD1 4.35Å | ||
| 86 | R | 63.3 | Low | 82.7 | Confident | 252 Ų | 252 | 71.4 Ų | 71.4 | 95% | 0.951 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -56.6 | -9.4 | 174 | -66.9 | -170.3 | -180 | -168 | 0.2 | 114.8 | A84 | A84-R86 PolarHBondContact O-N 3.43Š|
| 87 | Q | 67.6 | Low | 82.9 | Confident | 114 Ų | 114 | 74.2 Ų | 74.2 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | trans | -135 | 92.3 | -180 | -67.9 | -179.2 | -4.5 | 0 | 0 | 110.7 | V85 R89 R90 | V85-Q87 WeakPolarHBondContact CG1-O 3.24Å; V85-Q87 PolarHBondContact O-N 3.48Å; Q87-R89 PolarHBondContact O-N 2.87Å; Q87-R90 HydrophobicContact CB-CG 4.17Å; Q87-R90 WeakPolarHBondContact O-CG 3.31Å; Q87-R90 PolarHBondContact O-N 3.27Å | ||
| 88 | K | 74.8 | Confident | 83.1 | Confident | 133 Ų | 133 | 69.7 Ų | 69.7 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -25 | -178.1 | -67.2 | -170 | 174.3 | -171.6 | 0 | 114.4 | R90 I91 | K88-R90 PolarHBondContact O-N 3.05Å; K88-R90 VanDerWaalsContact O-N 3.16Å; K88-I91 PolarHBondContact O-N 3.12Å |
| 89 | R | 85.4 | Confident | 83.4 | Confident | 123 Ų | 123 | 71.5 Ų | 71.5 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -51.7 | -32 | 171.6 | -177.8 | 61.6 | -169.8 | 76.2 | 9.7 | 114.1 | Q87 I91 Y92 D93 | Q87-R89 PolarHBondContact O-N 2.87Å; R89-I91 VanDerWaalsContact C-N 3.34Å; R89-I91 PolarHBondContact O-N 3.17Å; R89-Y92 PolarHBondContact O-N 3.26Å; R89-D93 IonicContact CZ-OD1 2.95Å; R89-D93 IonicContact CZ-OD2 2.68Å; R89-D93 IonicContact NH1-OD1 3.94Å; R89-D93 PolarHBondContact NH1-OD1 3.37Å; R89-D93 IonicContact NH1-OD2 2.81Å; R89-D93 PolarHBondContact NH1-OD2 3.28Å; R89-D93 IonicContact NH2-OD1 2.65Å; R89-D93 PolarHBondContact NH2-OD1 2.88Å; R89-D93 PolarHBondContact O-N 3.15Å |
| 90 | R | 86.6 | Confident | 83.6 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.5 | -30.2 | -178.6 | -60.5 | -70.4 | 77.6 | 101.3 | -11 | 113.4 | L58 V85 Q87 K88 Y92 D93 I94 | L58-R90 HydrophobicContact CD1-CB 4.08Å; L58-R90 HydrophobicContact CD1-CG 4.28Å; V85-R90 HydrophobicContact CG1-CB 4.02Å; V85-R90 HydrophobicContact CG1-CG 4.44Å; Q87-R90 HydrophobicContact CB-CG 4.17Å; Q87-R90 WeakPolarHBondContact O-CG 3.31Å; Q87-R90 PolarHBondContact O-N 3.27Å; K88-R90 PolarHBondContact O-N 3.05Å; K88-R90 VanDerWaalsContact O-N 3.16Å; R90-Y92 VanDerWaalsContact C-N 3.3Å; R90-Y92 PolarHBondContact O-N 3.02Å; R90-D93 IonicContact CZ-OD2 3.32Å; R90-D93 IonicContact NE-OD2 2.77Å; R90-D93 PolarHBondContact NE-OD2 3.31Å; R90-D93 IonicContact NH2-OD2 3.11Å; R90-D93 PolarHBondContact NH2-OD2 2.96Å; R90-D93 PolarHBondContact O-N 2.84Å; R90-I94 PolarHBondContact O-N 2.88Å |
| 91 | I | 88.4 | Confident | 83.8 | Confident | 7 Ų | 7 | 79.5 Ų | 79.5 | 4% | 0.036 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.1 | -58.6 | -59.8 | 0 | 0 | 0 | 109.8 | F62 L76 A80 L83 V85 K88 R89 D93 I94 T95 | F62-I91 HydrophobicContact CD2-CD1 4.19Å; F62-I91 HydrophobicContact CE2-CD1 4.3Å; F62-I91 HydrophobicContact CE2-CG2 4.01Å; L76-I91 HydrophobicContact CD2-CG2 3.94Å; A80-I91 HydrophobicContact CB-CD1 4.46Å; A80-I91 HydrophobicContact CB-CG1 4.19Å; L83-I91 HydrophobicContact CD1-CD1 4Å; V85-I91 HydrophobicContact CG2-CD1 4.35Å; K88-I91 PolarHBondContact O-N 3.12Å; R89-I91 VanDerWaalsContact C-N 3.34Å; R89-I91 PolarHBondContact O-N 3.17Å; I91-D93 VanDerWaalsContact C-N 3.31Å; I91-D93 PolarHBondContact O-N 3.15Å; I91-I94 PolarHBondContact O-N 3.37Å; I91-T95 HydrophobicContact CG2-CG2 4.17Å; I91-T95 PolarHBondContact O-N 2.64Å; I91-T95 PolarHBondContact O-OG1 3.36Å |
| 92 | Y | 90.1 | Very high | 83.9 | Confident | 124 Ų | 124 | 78.5 Ų | 78.5 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.5 | -26.2 | 176.6 | -49.6 | -49.9 | 0 | 0 | 0 | 113.8 | R89 R90 I94 T95 N96 | R89-Y92 PolarHBondContact O-N 3.26Å; R90-Y92 VanDerWaalsContact C-N 3.3Å; R90-Y92 PolarHBondContact O-N 3.02Å; Y92-I94 VanDerWaalsContact C-N 3.27Å; Y92-I94 PolarHBondContact O-N 3.2Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.37Å; Y92-N96 WeakPolarHBondContact O-CB 3.44Å; Y92-N96 PolarHBondContact O-N 3.03Å; Y92-N96 VanDerWaalsContact O-N 3.1Å; Y92-N96 PolarHBondContact O-OD1 3.32Å |
| 93 | D | 90.8 | Very high | 84.1 | Confident | 33 Ų | 33 | 76.6 Ų | 76.6 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.4 | -30.7 | 171 | -66.5 | -48.1 | 0 | 0 | 0 | 112 | L55 R89 R90 I91 V97 | L55-D93 HydrophobicContact CD1-CB 3.99Å; L55-D93 HydrophobicContact CD2-CB 4.02Å; R89-D93 IonicContact CZ-OD1 2.95Å; R89-D93 IonicContact CZ-OD2 2.68Å; R89-D93 IonicContact NH1-OD1 3.94Å; R89-D93 PolarHBondContact NH1-OD1 3.37Å; R89-D93 IonicContact NH1-OD2 2.81Å; R89-D93 PolarHBondContact NH1-OD2 3.28Å; R89-D93 IonicContact NH2-OD1 2.65Å; R89-D93 PolarHBondContact NH2-OD1 2.88Å; R89-D93 PolarHBondContact O-N 3.15Å; R90-D93 IonicContact CZ-OD2 3.32Å; R90-D93 IonicContact NE-OD2 2.77Å; R90-D93 PolarHBondContact NE-OD2 3.31Å; R90-D93 IonicContact NH2-OD2 3.11Å; R90-D93 PolarHBondContact NH2-OD2 2.96Å; R90-D93 PolarHBondContact O-N 2.84Å; I91-D93 VanDerWaalsContact C-N 3.31Å; I91-D93 PolarHBondContact O-N 3.15Å; D93-V97 WeakPolarHBondContact O-CG2 3.46Å |
| 94 | I | 91.1 | Very high | 84.6 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -81.8 | -49.8 | 178 | -59.7 | 167.1 | 0 | 0 | 0 | 110.2 | L55 L58 T59 F62 R90 I91 Y92 N96 V97 L98 | L55-I94 HydrophobicContact CD1-CD1 4.28Å; L55-I94 HydrophobicContact CD1-CG1 3.89Å; L58-I94 HydrophobicContact CB-CD1 3.97Å; T59-I94 HydrophobicContact CG2-CG2 4.32Å; F62-I94 HydrophobicContact CB-CD1 4.2Å; F62-I94 HydrophobicContact CB-CG2 4.44Å; F62-I94 HydrophobicContact CD1-CG2 3.6Å; F62-I94 HydrophobicContact CE1-CG2 3.93Å; F62-I94 HydrophobicContact CG-CD1 4.39Å; F62-I94 HydrophobicContact CG-CG2 4.01Å; R90-I94 PolarHBondContact O-N 2.88Å; I91-I94 PolarHBondContact O-N 3.37Å; Y92-I94 VanDerWaalsContact C-N 3.27Å; Y92-I94 PolarHBondContact O-N 3.2Å; I94-N96 PolarHBondContact O-N 3.33Å; I94-V97 PolarHBondContact O-N 3.38Å; I94-L98 HydrophobicContact CG2-CD1 3.9Å; I94-L98 HydrophobicContact CG2-CG 4.46Å; I94-L98 WeakPolarHBondContact O-CG 3.49Å; I94-L98 PolarHBondContact O-N 3.03Å; I94-L98 VanDerWaalsContact O-N 3.07Å |
| 95 | T | 91.8 | Very high | 85.5 | Confident | 9 Ų | 9 | 76 Ų | 76 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | -177.2 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | F62 L76 I91 Y92 V97 L98 E99 I104 I112 | F62-T95 HydrophobicContact CZ-CG2 3.86Å; L76-T95 HydrophobicContact CD2-CG2 4Å; I91-T95 HydrophobicContact CG2-CG2 4.17Å; I91-T95 PolarHBondContact O-N 2.64Å; I91-T95 PolarHBondContact O-OG1 3.36Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.37Å; T95-V97 PolarHBondContact O-N 2.97Å; T95-L98 PolarHBondContact O-N 2.82Å; T95-E99 WeakPolarHBondContact O-CB 3.39Å; T95-E99 PolarHBondContact O-N 3.33Å; T95-I104 HydrophobicContact CG2-CD1 4.11Å; T95-I112 HydrophobicContact CG2-CD1 4.35Å |
| 96 | N | 93.1 | Very high | 86.7 | Confident | 95 Ų | 95 | 82 Ų | 82 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -27.8 | -178.3 | -66.1 | 21.8 | 0 | 0 | 0 | 112.5 | Y92 I94 G100 | Y92-N96 WeakPolarHBondContact O-CB 3.44Å; Y92-N96 PolarHBondContact O-N 3.03Å; Y92-N96 VanDerWaalsContact O-N 3.1Å; Y92-N96 PolarHBondContact O-OD1 3.32Å; I94-N96 PolarHBondContact O-N 3.33Å; N96-G100 PolarHBondContact O-N 2.89Å |
| 97 | V | 93.1 | Very high | 87.8 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 53% | 0.527 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.9 | -43.3 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | D93 I94 T95 G100 I101 | D93-V97 WeakPolarHBondContact O-CG2 3.46Å; I94-V97 PolarHBondContact O-N 3.38Å; T95-V97 PolarHBondContact O-N 2.97Å; V97-G100 PolarHBondContact O-N 2.66Å; V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 WeakPolarHBondContact O-CD1 3.48Å; V97-I101 VanDerWaalsContact O-CG1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.04Å; V97-I101 VanDerWaalsContact O-N 3.13Å |
| 98 | L | 90.2 | Very high | 88.8 | Confident | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 177.3 | -66.3 | 175.3 | 0 | 0 | 0 | 112.5 | F62 I94 T95 I101 D102 L103 I104 | F62-L98 HydrophobicContact CD1-CD1 4.3Å; F62-L98 HydrophobicContact CE1-CD1 4.07Å; I94-L98 HydrophobicContact CG2-CD1 3.9Å; I94-L98 HydrophobicContact CG2-CG 4.46Å; I94-L98 WeakPolarHBondContact O-CG 3.49Å; I94-L98 PolarHBondContact O-N 3.03Å; I94-L98 VanDerWaalsContact O-N 3.07Å; T95-L98 PolarHBondContact O-N 2.82Å; L98-I101 CarbonylContact O-C 3.58Å; L98-I101 PolarHBondContact O-N 3.43Å; L98-D102 PolarHBondContact O-N 3.08Å; L98-L103 HydrophobicContact CD2-CB 4.48Å; L98-L103 HydrophobicContact CD2-CD1 4.05Å; L98-L103 PolarHBondContact O-N 3.46Å; L98-I104 HydrophobicContact CB-CD1 3.76Å; L98-I104 HydrophobicContact CB-CG1 3.72Å; L98-I104 HydrophobicContact CB-CG2 4.14Å; L98-I104 HydrophobicContact CD1-CG2 4.36Å |
| 99 | E | 91.4 | Very high | 89.3 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 42% | 0.416 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.6 | -39.3 | 173.9 | -173.2 | 172.8 | -159 | 0 | 0 | 110.4 | T95 I101 D102 I104 | T95-E99 WeakPolarHBondContact O-CB 3.39Å; T95-E99 PolarHBondContact O-N 3.33Å; E99-I101 PolarHBondContact O-N 3Å; E99-D102 PolarHBondContact O-N 2.9Å; E99-I104 HydrophobicContact CB-CD1 4.5Å; E99-I104 HydrophobicContact CB-CG1 4.11Å |
| 100 | G | 90.1 | Very high | 89.4 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.5 | -11.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N96 V97 | N96-G100 PolarHBondContact O-N 2.89Å; V97-G100 PolarHBondContact O-N 2.66Å |
| 101 | I | 89.3 | Confident | 89.5 | Confident | 108 Ų | 108 | 70 Ų | 70 | 55% | 0.554 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 5 | 171.8 | -55.8 | 162 | 0 | 0 | 0 | 110 | V97 L98 E99 L103 | V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 WeakPolarHBondContact O-CD1 3.48Å; V97-I101 VanDerWaalsContact O-CG1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.04Å; V97-I101 VanDerWaalsContact O-N 3.13Å; L98-I101 CarbonylContact O-C 3.58Å; L98-I101 PolarHBondContact O-N 3.43Å; E99-I101 PolarHBondContact O-N 3Å; I101-L103 HydrophobicContact CB-CD1 4.43Å; I101-L103 HydrophobicContact CB-CG 4.32Å; I101-L103 HydrophobicContact CG2-CD1 4.03Å; I101-L103 HydrophobicContact CG2-CG 3.98Å; I101-L103 PolarHBondContact O-N 3.27Å |
| 102 | D | 87.8 | Confident | 89.5 | Confident | 94 Ų | 94 | 70 Ų | 70 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 26.6 | -176.1 | -150.9 | 44.9 | 0 | 0 | 0 | 115.8 | L98 E99 I104 K115 | L98-D102 PolarHBondContact O-N 3.08Å; E99-D102 PolarHBondContact O-N 2.9Å; D102-I104 VanDerWaalsContact C-N 3.34Å; D102-K115 WeakPolarHBondContact O-CB 3.31Å; D102-K115 WeakPolarHBondContact O-CD 3.19Å; D102-K115 IonicContact OD1-NZ 2.7Å; D102-K115 PolarHBondContact OD1-NZ 3.41Å; D102-K115 IonicContact OD2-NZ 2.68Å; D102-K115 PolarHBondContact OD2-NZ 3.33Å |
| 103 | L | 86.8 | Confident | 89.4 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -80.6 | -16.6 | 175 | -64.5 | 176.7 | 0 | 0 | 0 | 113 | L98 I101 W114 K115 | L98-L103 HydrophobicContact CD2-CB 4.48Å; L98-L103 HydrophobicContact CD2-CD1 4.05Å; L98-L103 PolarHBondContact O-N 3.46Å; I101-L103 HydrophobicContact CB-CD1 4.43Å; I101-L103 HydrophobicContact CB-CG 4.32Å; I101-L103 HydrophobicContact CG2-CD1 4.03Å; I101-L103 HydrophobicContact CG2-CG 3.98Å; I101-L103 PolarHBondContact O-N 3.27Å; L103-W114 HydrophobicContact CB-CH2 4.3Å; L103-W114 HydrophobicContact CB-CZ3 4.12Å; L103-W114 HydrophobicContact CD1-CH2 4.48Å; L103-K115 PolarHBondContact O-N 3.37Å |
| 104 | I | 87.9 | Confident | 89.3 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 157.8 | 174.7 | 66.5 | 171.9 | 0 | 0 | 0 | 110.9 | L66 T95 L98 E99 D102 I112 Q113 W114 | L66-I104 HydrophobicContact CD2-CG2 3.82Å; T95-I104 HydrophobicContact CG2-CD1 4.11Å; L98-I104 HydrophobicContact CB-CD1 3.76Å; L98-I104 HydrophobicContact CB-CG1 3.72Å; L98-I104 HydrophobicContact CB-CG2 4.14Å; L98-I104 HydrophobicContact CD1-CG2 4.36Å; E99-I104 HydrophobicContact CB-CD1 4.5Å; E99-I104 HydrophobicContact CB-CG1 4.11Å; D102-I104 VanDerWaalsContact C-N 3.34Å; I104-I112 HydrophobicContact CD1-CB 4.42Å; I104-I112 HydrophobicContact CD1-CD1 3.77Å; I104-I112 HydrophobicContact CD1-CG2 4.29Å; I104-I112 HydrophobicContact CG2-CD1 4.36Å; I104-Q113 CarbonylContact C-O 3.39Å; I104-Q113 VanDerWaalsContact CA-O 3.23Å; I104-Q113 WeakPolarHBondContact CA-O 3.28Å; I104-Q113 WeakPolarHBondContact CB-O 3.38Å; I104-W114 HydrophobicContact CG2-CE3 3.75Å; I104-W114 HydrophobicContact CG2-CZ3 4.29Å |
| 105 | E | 89.8 | Confident | 88.7 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 162.1 | 167.4 | 60.5 | 173.5 | -147.8 | 0 | 0 | 112.4 | K107 I112 Q113 K115 | E105-K107 PolarHBondContact O-N 3.18Å; E105-I112 CarbonylContact O-C 3.57Å; E105-I112 VanDerWaalsContact O-CA 3.23Å; E105-I112 WeakPolarHBondContact O-CA 3.2Å; E105-I112 WeakPolarHBondContact O-CB 3.28Å; E105-Q113 HydrophobicContact CG-CB 4.19Å; E105-Q113 PolarHBondContact N-O 3.25Å; E105-Q113 PolarHBondContact O-N 3.04Å; E105-K115 HydrophobicContact CB-CD 4.23Å; E105-K115 HydrophobicContact CB-CG 4.35Å; E105-K115 HydrophobicContact CG-CD 4.47Å; E105-K115 HydrophobicContact CG-CG 4.09Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å |
| 106 | K | 90.7 | Very high | 87.5 | Confident | 145 Ų | 145 | 70.9 Ų | 70.9 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 86.5 | -174.8 | -175.2 | -176.7 | 175 | -177.6 | 0 | 111.8 | S108 | K106-S108 VanDerWaalsContact C-N 3.35Å; K106-S108 PolarHBondContact O-N 2.95Å |
| 107 | K | 86.3 | Confident | 85.9 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -34.5 | 178.1 | -164.6 | 168.7 | -164.4 | 156.3 | 0 | 113.8 | V73 E105 S111 Q113 | V73-K107 HydrophobicContact CG1-CD 4.08Å; V73-K107 HydrophobicContact CG2-CD 3.93Å; E105-K107 PolarHBondContact O-N 3.18Å; K107-S111 PolarHBondContact N-O 3.48Å; K107-S111 VanDerWaalsContact N-O 3.07Å; K107-Q113 HydrophobicContact CB-CB 4.34Å; K107-Q113 HydrophobicContact CD-CB 4.27Å |
| 108 | S | 90.1 | Very high | 84.1 | Confident | 59 Ų | 59 | 70 Ų | 70 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | -178.8 | 173.1 | 92.1 | 0 | 0 | 0 | 0 | 113.2 | K106 N110 S111 | K106-S108 VanDerWaalsContact C-N 3.35Å; K106-S108 PolarHBondContact O-N 2.95Å; S108-N110 PolarHBondContact O-N 3.45Å; S108-N110 VanDerWaalsContact O-N 3.08Å; S108-N110 PolarHBondContact OG-N 2.92Å; S108-S111 PolarHBondContact N-O 2.97Å; S108-S111 PolarHBondContact O-N 3.43Å; S108-S111 VanDerWaalsContact O-O 3.1Å; S108-S111 VanDerWaalsContact OG-CB 3.3Å; S108-S111 WeakPolarHBondContact OG-CB 3.43Å; S108-S111 PolarHBondContact OG-N 3.35Å |
| 109 | K | 84.9 | Confident | 82.2 | Confident | 188 Ų | 188 | 73.6 Ų | 73.6 | 82% | 0.817 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.4 | 179.6 | -172.6 | 172.1 | -179.4 | 176.5 | 0 | 114.5 | ||
| 110 | N | 87.6 | Confident | 80.5 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 33% | 0.332 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | 7.9 | 175.4 | -47.7 | -86.7 | 0 | 0 | 0 | 112.6 | D75 L76 K77 S108 | D75-N110 VanDerWaalsContact OD1-O 3.12Å; L76-N110 WeakPolarHBondContact CB-O 3.26Å; L76-N110 WeakPolarHBondContact CG-O 3.27Å; L76-N110 PolarHBondContact N-O 3.36Å; K77-N110 WeakPolarHBondContact CE-OD1 3.41Å; K77-N110 HydrophobicContact CG-CB 4.4Å; S108-N110 PolarHBondContact O-N 3.45Å; S108-N110 VanDerWaalsContact O-N 3.08Å; S108-N110 PolarHBondContact OG-N 2.92Å |
| 111 | S | 88.1 | Confident | 78.8 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.7 | -173 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | V73 L74 K107 S108 | V73-S111 WeakPolarHBondContact CG1-OG 2.86Å; L74-S111 WeakPolarHBondContact O-CA 3.39Å; K107-S111 PolarHBondContact N-O 3.48Å; K107-S111 VanDerWaalsContact N-O 3.07Å; S108-S111 PolarHBondContact N-O 2.97Å; S108-S111 PolarHBondContact O-N 3.43Å; S108-S111 VanDerWaalsContact O-O 3.1Å; S108-S111 VanDerWaalsContact OG-CB 3.3Å; S108-S111 WeakPolarHBondContact OG-CB 3.43Å; S108-S111 PolarHBondContact OG-N 3.35Å |
| 112 | I | 89.4 | Confident | 77.4 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 155 | 168.2 | 60.5 | 167.5 | 0 | 0 | 0 | 109.5 | F62 L66 V73 L74 L76 T95 I104 E105 | F62-I112 HydrophobicContact CE1-CD1 3.88Å; F62-I112 HydrophobicContact CZ-CD1 3.61Å; L66-I112 HydrophobicContact CD1-CD1 4.2Å; L66-I112 HydrophobicContact CD1-CG1 4.43Å; L66-I112 HydrophobicContact CD2-CD1 4.15Å; V73-I112 WeakPolarHBondContact CA-O 3.42Å; L74-I112 HydrophobicContact CB-CG1 4.09Å; L74-I112 PolarHBondContact N-O 2.8Å; L74-I112 PolarHBondContact O-N 3.48Å; L74-I112 VanDerWaalsContact O-N 3.08Å; L76-I112 HydrophobicContact CD1-CG2 4.16Å; L76-I112 HydrophobicContact CD2-CD1 4.06Å; L76-I112 HydrophobicContact CD2-CG1 4.01Å; L76-I112 HydrophobicContact CD2-CG2 4.09Å; L76-I112 HydrophobicContact CG-CG2 4.34Å; T95-I112 HydrophobicContact CG2-CD1 4.35Å; I104-I112 HydrophobicContact CD1-CB 4.42Å; I104-I112 HydrophobicContact CD1-CD1 3.77Å; I104-I112 HydrophobicContact CD1-CG2 4.29Å; I104-I112 HydrophobicContact CG2-CD1 4.36Å; E105-I112 CarbonylContact O-C 3.57Å; E105-I112 VanDerWaalsContact O-CA 3.23Å; E105-I112 WeakPolarHBondContact O-CA 3.2Å; E105-I112 WeakPolarHBondContact O-CB 3.28Å |
| 113 | Q | 88.1 | Confident | 76.3 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.5 | 170 | -179.6 | 166.7 | -23.6 | 0 | 0 | 109.3 | G72 V73 I104 E105 K107 | G72-Q113 CarbonylContact O-C 3.42Å; G72-Q113 WeakPolarHBondContact O-CA 3.46Å; V73-Q113 HydrophobicContact CG2-CB 4.36Å; V73-Q113 HydrophobicContact CG2-CG 4.21Å; I104-Q113 CarbonylContact C-O 3.39Å; I104-Q113 VanDerWaalsContact CA-O 3.23Å; I104-Q113 WeakPolarHBondContact CA-O 3.28Å; I104-Q113 WeakPolarHBondContact CB-O 3.38Å; E105-Q113 HydrophobicContact CG-CB 4.19Å; E105-Q113 PolarHBondContact N-O 3.25Å; E105-Q113 PolarHBondContact O-N 3.04Å; K107-Q113 HydrophobicContact CB-CB 4.34Å; K107-Q113 HydrophobicContact CD-CB 4.27Å |
| 114 | W | 88 | Confident | 75.6 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 15% | 0.152 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135 | 170.7 | -175.3 | -104.5 | 0 | 0 | 0 | 110.2 | L66 G72 L103 I104 G116 C121 | L66-W114 HydrophobicContact CD1-CB 4.23Å; L66-W114 HydrophobicContact CD2-CD2 4.47Å; L66-W114 HydrophobicContact CD2-CE3 3.5Å; L66-W114 HydrophobicContact CD2-CZ3 4.03Å; L66-W114 HydrophobicContact CG-CB 4.31Å; L66-W114 HydrophobicContact CG-CD2 4.48Å; L66-W114 HydrophobicContact CG-CE3 3.94Å; G72-W114 PolarHBondContact O-N 3.33Å; L103-W114 HydrophobicContact CB-CH2 4.3Å; L103-W114 HydrophobicContact CB-CZ3 4.12Å; L103-W114 HydrophobicContact CD1-CH2 4.48Å; I104-W114 HydrophobicContact CG2-CE3 3.75Å; I104-W114 HydrophobicContact CG2-CZ3 4.29Å; W114-G116 PolarHBondContact NE1-O 2.96Å; W114-C121 PolarHBondContact O-SG 2.91Å |
| 115 | K | 78.3 | Confident | 75 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | trans | -97.8 | -22.8 | 175.9 | -79 | -178.6 | 148.9 | -177.6 | 0 | 113.2 | D102 L103 E105 | D102-K115 WeakPolarHBondContact O-CB 3.31Å; D102-K115 WeakPolarHBondContact O-CD 3.19Å; D102-K115 IonicContact OD1-NZ 2.7Å; D102-K115 PolarHBondContact OD1-NZ 3.41Å; D102-K115 IonicContact OD2-NZ 2.68Å; D102-K115 PolarHBondContact OD2-NZ 3.33Å; L103-K115 PolarHBondContact O-N 3.37Å; E105-K115 HydrophobicContact CB-CD 4.23Å; E105-K115 HydrophobicContact CB-CG 4.35Å; E105-K115 HydrophobicContact CG-CD 4.47Å; E105-K115 HydrophobicContact CG-CG 4.09Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å | ||
| 116 | G | 67.6 | Low | 74.5 | Confident | 17 Ų | 17 | 76.6 Ų | 76.6 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -71.7 | 151.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W114 G118 | W114-G116 PolarHBondContact NE1-O 2.96Å; G116-G118 PolarHBondContact O-N 3.48Å |
| 117 | V | 59.4 | Low | 74.1 | Confident | 137 Ų | 137 | 73.3 Ų | 73.3 | 83% | 0.83 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -66.7 | 108.2 | 171.9 | -174 | 0 | 0 | 0 | 0 | 108.9 | ||
| 118 | G | 55.3 | Low | 74.2 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 26% | 0.258 | 40% | 0.395 | S | S | . | . | trans | -156.2 | 158.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G116 G120 C121 | G116-G118 PolarHBondContact O-N 3.48Å; G118-G120 PolarHBondContact O-N 2.94Å; G118-C121 PolarHBondContact O-N 3.37Å; G118-C121 VanDerWaalsContact O-N 3.14Å | ||
| 119 | A | 50.4 | Low | 74 | Confident | 93 Ų | 93 | 75.6 Ų | 75.6 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 129.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 120 | G | 54.1 | Low | 74.2 | Confident | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -17.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | D71 G72 G118 | D71-G120 CarbonylContact C-O 3.57Å; D71-G120 VanDerWaalsContact CA-O 3.23Å; D71-G120 WeakPolarHBondContact CA-O 3.29Å; D71-G120 PolarHBondContact N-O 3.29Å; G72-G120 PolarHBondContact N-O 2.99Å; G118-G120 PolarHBondContact O-N 2.94Å |
| 121 | C | 54.3 | Low | 74.4 | Confident | 25 Ų | 25 | 75.3 Ų | 75.3 | 17% | 0.169 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -28.4 | -177.1 | -165.1 | 0 | 0 | 0 | 0 | 114.6 | W114 G118 T123 | W114-C121 PolarHBondContact O-SG 2.91Å; G118-C121 PolarHBondContact O-N 3.37Å; G118-C121 VanDerWaalsContact O-N 3.14Å; C121-T123 PolarHBondContact O-N 3.5Å |
| 122 | N | 60.4 | Low | 74.7 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -76.7 | 115.8 | 169.5 | -62.8 | -28.1 | 0 | 0 | 0 | 108.4 | I127 | N122-I127 HydrophobicContact CB-CD1 3.86Å; N122-I127 HydrophobicContact CB-CG1 3.57Å |
| 123 | T | 66 | Low | 75 | Confident | 63 Ų | 63 | 84.5 Ų | 84.5 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | trans | -60.8 | 147.8 | 168.8 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | C121 E125 V126 I127 | C121-T123 PolarHBondContact O-N 3.5Å; T123-E125 PolarHBondContact O-N 3.49Å; T123-E125 VanDerWaalsContact O-N 3.16Å; T123-V126 PolarHBondContact O-N 2.9Å; T123-V126 WeakPolarHBondContact OG1-CG2 3.45Å; T123-V126 PolarHBondContact OG1-N 2.85Å; T123-I127 PolarHBondContact O-N 3.43Å; T123-I127 VanDerWaalsContact O-N 3.16Å | ||
| 124 | K | 70.4 | Confident | 75.4 | Confident | 161 Ų | 161 | 89.5 Ų | 89.5 | 70% | 0.7 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -52.3 | -41.9 | -179.9 | -178.5 | -175.1 | 171.1 | -169.4 | 0 | 111.4 | V126 I127 D128 | K124-V126 PolarHBondContact O-N 3.22Å; K124-I127 PolarHBondContact O-N 2.82Å; K124-D128 WeakPolarHBondContact CE-OD2 3.41Å; K124-D128 WeakPolarHBondContact CG-OD2 3.35Å; K124-D128 PolarHBondContact O-N 3.32Å |
| 125 | E | 75.8 | Confident | 75.8 | Confident | 147 Ų | 147 | 90.2 Ų | 90.2 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.9 | -45.3 | 174.4 | -174.3 | -174.7 | 169.1 | 0 | 0 | 113.3 | T123 D128 R129 | T123-E125 PolarHBondContact O-N 3.49Å; T123-E125 VanDerWaalsContact O-N 3.16Å; E125-D128 PolarHBondContact O-N 3.34Å; E125-R129 WeakPolarHBondContact O-CB 3.42Å; E125-R129 PolarHBondContact O-N 2.73Å |
| 126 | V | 80.4 | Confident | 76.7 | Confident | 67 Ų | 67 | 89.6 Ų | 89.6 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 177.1 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | T123 K124 L130 | T123-V126 PolarHBondContact O-N 2.9Å; T123-V126 WeakPolarHBondContact OG1-CG2 3.45Å; T123-V126 PolarHBondContact OG1-N 2.85Å; K124-V126 PolarHBondContact O-N 3.22Å; V126-L130 HydrophobicContact CG1-CD1 3.88Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CB 3.28Å; V126-L130 WeakPolarHBondContact O-CB 3.35Å; V126-L130 WeakPolarHBondContact O-CD1 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.02Å |
| 127 | I | 82.1 | Confident | 78.2 | Confident | 77 Ų | 77 | 93.1 Ų | 93.1 | 40% | 0.395 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 176.5 | -54.3 | 176 | 0 | 0 | 0 | 111 | N122 T123 K124 L130 R131 | N122-I127 HydrophobicContact CB-CD1 3.86Å; N122-I127 HydrophobicContact CB-CG1 3.57Å; T123-I127 PolarHBondContact O-N 3.43Å; T123-I127 VanDerWaalsContact O-N 3.16Å; K124-I127 PolarHBondContact O-N 2.82Å; I127-L130 PolarHBondContact O-N 2.97Å; I127-R131 PolarHBondContact O-N 3.02Å |
| 128 | D | 86.6 | Confident | 80 | Confident | 54 Ų | 54 | 93.3 Ų | 93.3 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.9 | -37.7 | -178.6 | -72.1 | -29.7 | 0 | 0 | 0 | 111.1 | K124 E125 R131 Y132 | K124-D128 WeakPolarHBondContact CE-OD2 3.41Å; K124-D128 WeakPolarHBondContact CG-OD2 3.35Å; K124-D128 PolarHBondContact O-N 3.32Å; E125-D128 PolarHBondContact O-N 3.34Å; D128-R131 WeakPolarHBondContact O-CB 3.29Å; D128-R131 PolarHBondContact O-N 3.08Å; D128-R131 IonicContact OD1-CZ 3.19Å; D128-R131 IonicContact OD1-NH1 2.91Å; D128-R131 PolarHBondContact OD1-NH1 2.98Å; D128-R131 IonicContact OD1-NH2 2.7Å; D128-R131 PolarHBondContact OD1-NH2 3.02Å; D128-Y132 PolarHBondContact O-N 3.21Å |
| 129 | R | 87.8 | Confident | 82 | Confident | 168 Ų | 168 | 95.2 Ų | 95.2 | 63% | 0.634 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 172.1 | -173 | 174.6 | -177.4 | 173.9 | 1.7 | 112.6 | E125 R131 Y132 L133 | E125-R129 WeakPolarHBondContact O-CB 3.42Å; E125-R129 PolarHBondContact O-N 2.73Å; R129-R131 VanDerWaalsContact C-N 3.25Å; R129-R131 PolarHBondContact O-N 3.37Å; R129-Y132 PolarHBondContact O-N 2.65Å; R129-L133 HydrophobicContact CG-CD1 3.95Å; R129-L133 HydrophobicContact CG-CG 4.32Å; R129-L133 WeakPolarHBondContact O-CB 3.38Å; R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.42Å |
| 130 | L | 88.6 | Confident | 84.3 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.7 | -27 | 173.2 | -78.1 | 168.6 | 0 | 0 | 0 | 112.7 | V126 I127 K134 | V126-L130 HydrophobicContact CG1-CD1 3.88Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CB 3.28Å; V126-L130 WeakPolarHBondContact O-CB 3.35Å; V126-L130 WeakPolarHBondContact O-CD1 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.02Å; I127-L130 PolarHBondContact O-N 2.97Å; L130-K134 VanDerWaalsContact O-CG 3.25Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å; L130-K134 PolarHBondContact O-N 3.44Å |
| 131 | R | 91.8 | Very high | 86.4 | Confident | 152 Ų | 152 | 98.6 Ų | 98.6 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.9 | -45.5 | 172.5 | -164.2 | -173 | -50.9 | 120.5 | 22 | 111.2 | I127 D128 R129 K134 A135 | I127-R131 PolarHBondContact O-N 3.02Å; D128-R131 WeakPolarHBondContact O-CB 3.29Å; D128-R131 PolarHBondContact O-N 3.08Å; D128-R131 IonicContact OD1-CZ 3.19Å; D128-R131 IonicContact OD1-NH1 2.91Å; D128-R131 PolarHBondContact OD1-NH1 2.98Å; D128-R131 IonicContact OD1-NH2 2.7Å; D128-R131 PolarHBondContact OD1-NH2 3.02Å; R129-R131 VanDerWaalsContact C-N 3.25Å; R129-R131 PolarHBondContact O-N 3.37Å; R131-K134 PolarHBondContact O-N 3.07Å; R131-A135 PolarHBondContact O-N 2.95Å; R131-A135 VanDerWaalsContact O-N 3.14Å |
| 132 | Y | 94.6 | Very high | 88.5 | Confident | 151 Ų | 151 | 102 Ų | 102 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.6 | -54.5 | 177 | 178.5 | -97.5 | 0 | 0 | 0 | 111.6 | D128 R129 K134 A135 E136 | D128-Y132 PolarHBondContact O-N 3.21Å; R129-Y132 PolarHBondContact O-N 2.65Å; Y132-K134 PolarHBondContact O-N 3.04Å; Y132-K134 VanDerWaalsContact O-N 3.15Å; Y132-A135 PolarHBondContact O-N 3.48Å; Y132-E136 VanDerWaalsContact CE1-OE2 3.24Å; Y132-E136 WeakPolarHBondContact CE1-OE2 3.47Å; Y132-E136 WeakPolarHBondContact O-CB 3.33Å; Y132-E136 PolarHBondContact O-N 2.83Å |
| 133 | L | 95.5 | Very high | 90.2 | Very high | 68 Ų | 68 | 104 Ų | 104 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -29.2 | -179.9 | -69.8 | 169.8 | 0 | 0 | 0 | 113 | R129 E136 I137 | R129-L133 HydrophobicContact CG-CD1 3.95Å; R129-L133 HydrophobicContact CG-CG 4.32Å; R129-L133 WeakPolarHBondContact O-CB 3.38Å; R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.42Å; L133-E136 WeakPolarHBondContact CD2-OE2 3.48Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.13Å; L133-I137 PolarHBondContact O-N 2.91Å |
| 134 | K | 96.1 | Very high | 91.8 | Very high | 150 Ų | 150 | 107.3 Ų | 107.3 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.6 | -42.8 | 174.6 | -80.1 | -178.9 | 175.1 | -161.8 | 0 | 112.8 | L130 R131 Y132 E136 I137 E138 | L130-K134 VanDerWaalsContact O-CG 3.25Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å; L130-K134 PolarHBondContact O-N 3.44Å; R131-K134 PolarHBondContact O-N 3.07Å; Y132-K134 PolarHBondContact O-N 3.04Å; Y132-K134 VanDerWaalsContact O-N 3.15Å; K134-E136 VanDerWaalsContact C-N 3.32Å; K134-I137 PolarHBondContact O-N 3.5Å; K134-E138 WeakPolarHBondContact O-CB 3.46Å; K134-E138 PolarHBondContact O-N 3.26Å |
| 135 | A | 96.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 106.5 Ų | 106.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -34.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R131 Y132 E138 D139 | R131-A135 PolarHBondContact O-N 2.95Å; R131-A135 VanDerWaalsContact O-N 3.14Å; Y132-A135 PolarHBondContact O-N 3.48Å; A135-E138 PolarHBondContact O-N 3.37Å; A135-D139 WeakPolarHBondContact O-CB 3.49Å; A135-D139 PolarHBondContact O-N 3.1Å |
| 136 | E | 97.1 | Very high | 94.1 | Very high | 76 Ų | 76 | 103.5 Ų | 103.5 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 172.9 | -172.8 | 176.6 | -164.6 | 0 | 0 | 111.6 | Y132 L133 K134 D139 L140 | Y132-E136 VanDerWaalsContact CE1-OE2 3.24Å; Y132-E136 WeakPolarHBondContact CE1-OE2 3.47Å; Y132-E136 WeakPolarHBondContact O-CB 3.33Å; Y132-E136 PolarHBondContact O-N 2.83Å; L133-E136 WeakPolarHBondContact CD2-OE2 3.48Å; K134-E136 VanDerWaalsContact C-N 3.32Å; E136-D139 PolarHBondContact O-N 3.38Å; E136-L140 HydrophobicContact CG-CD1 4.23Å; E136-L140 WeakPolarHBondContact O-CB 3.13Å; E136-L140 WeakPolarHBondContact O-CG 3.3Å; E136-L140 PolarHBondContact O-N 3.38Å |
| 137 | I | 98 | Very high | 94.9 | Very high | 91 Ų | 91 | 105.5 Ų | 105.5 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 172.3 | -71.5 | 163.6 | 0 | 0 | 0 | 111.3 | L133 K134 D139 L140 E141 | L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.13Å; L133-I137 PolarHBondContact O-N 2.91Å; K134-I137 PolarHBondContact O-N 3.5Å; I137-D139 PolarHBondContact O-N 3.2Å; I137-L140 PolarHBondContact O-N 2.85Å; I137-E141 HydrophobicContact CG2-CG 4.29Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.37Å; I137-E141 WeakPolarHBondContact O-CB 3.36Å; I137-E141 WeakPolarHBondContact O-CG 3.48Å; I137-E141 PolarHBondContact O-N 2.99Å |
| 138 | E | 97.9 | Very high | 95.6 | Very high | 140 Ų | 140 | 105.6 Ų | 105.6 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -38.1 | 179.6 | -172.2 | 170.6 | -165.9 | 0 | 0 | 112.7 | K134 A135 L142 | K134-E138 WeakPolarHBondContact O-CB 3.46Å; K134-E138 PolarHBondContact O-N 3.26Å; A135-E138 PolarHBondContact O-N 3.37Å; E138-L142 WeakPolarHBondContact O-CB 3.43Å; E138-L142 PolarHBondContact O-N 3.15Å; E138-L142 VanDerWaalsContact O-N 3.1Å |
| 139 | D | 98 | Very high | 96.1 | Very high | 66 Ų | 66 | 106.6 Ų | 106.6 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 172 | 169.9 | 73 | 0 | 0 | 0 | 112.6 | A135 E136 I137 L142 K143 | A135-D139 WeakPolarHBondContact O-CB 3.49Å; A135-D139 PolarHBondContact O-N 3.1Å; E136-D139 PolarHBondContact O-N 3.38Å; I137-D139 PolarHBondContact O-N 3.2Å; D139-L142 WeakPolarHBondContact O-CB 3.4Å; D139-L142 PolarHBondContact O-N 2.99Å; D139-K143 WeakPolarHBondContact O-CG 3.49Å; D139-K143 PolarHBondContact O-N 2.68Å; D139-K143 WeakPolarHBondContact OD1-CE 3.33Å; D139-K143 IonicContact OD1-NZ 2.73Å; D139-K143 PolarHBondContact OD1-NZ 3.16Å; D139-K143 WeakPolarHBondContact OD2-CE 3.33Å; D139-K143 IonicContact OD2-NZ 3.16Å; D139-K143 PolarHBondContact OD2-NZ 3.34Å |
| 140 | L | 98.1 | Very high | 96.4 | Very high | 97 Ų | 97 | 100.9 Ų | 100.9 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 175.4 | -71.6 | 169.3 | 0 | 0 | 0 | 112.1 | E136 I137 L142 K143 E144 | E136-L140 HydrophobicContact CG-CD1 4.23Å; E136-L140 WeakPolarHBondContact O-CB 3.13Å; E136-L140 WeakPolarHBondContact O-CG 3.3Å; E136-L140 PolarHBondContact O-N 3.38Å; I137-L140 PolarHBondContact O-N 2.85Å; L140-L142 PolarHBondContact O-N 3.13Å; L140-K143 PolarHBondContact O-N 2.95Å; L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 3.06Å |
| 141 | E | 98.3 | Very high | 96.7 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -30.4 | 173.5 | -75.8 | 179.9 | -170.9 | 0 | 0 | 112.2 | I137 R145 | I137-E141 HydrophobicContact CG2-CG 4.29Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.37Å; I137-E141 WeakPolarHBondContact O-CB 3.36Å; I137-E141 WeakPolarHBondContact O-CG 3.48Å; I137-E141 PolarHBondContact O-N 2.99Å; E141-R145 WeakPolarHBondContact O-CB 3.19Å; E141-R145 PolarHBondContact O-N 3.42Å; E141-R145 PolarHBondContact O-NH2 3.4Å |
| 142 | L | 98 | Very high | 96.9 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.4 | -45 | 172 | 178.7 | 60.4 | 0 | 0 | 0 | 111.7 | E138 D139 L140 R145 E146 | E138-L142 WeakPolarHBondContact O-CB 3.43Å; E138-L142 PolarHBondContact O-N 3.15Å; E138-L142 VanDerWaalsContact O-N 3.1Å; D139-L142 WeakPolarHBondContact O-CB 3.4Å; D139-L142 PolarHBondContact O-N 2.99Å; L140-L142 PolarHBondContact O-N 3.13Å; L142-R145 PolarHBondContact O-N 3.32Å; L142-E146 PolarHBondContact O-N 2.87Å |
| 143 | K | 97.1 | Very high | 96.8 | Very high | 105 Ų | 105 | 96.4 Ų | 96.4 | 46% | 0.457 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 178.8 | -73.7 | 164.7 | -179.9 | 166.1 | 0 | 113.2 | D139 L140 R145 E146 L147 | D139-K143 WeakPolarHBondContact O-CG 3.49Å; D139-K143 PolarHBondContact O-N 2.68Å; D139-K143 WeakPolarHBondContact OD1-CE 3.33Å; D139-K143 IonicContact OD1-NZ 2.73Å; D139-K143 PolarHBondContact OD1-NZ 3.16Å; D139-K143 WeakPolarHBondContact OD2-CE 3.33Å; D139-K143 IonicContact OD2-NZ 3.16Å; D139-K143 PolarHBondContact OD2-NZ 3.34Å; L140-K143 PolarHBondContact O-N 2.95Å; K143-R145 VanDerWaalsContact C-N 3.34Å; K143-R145 PolarHBondContact O-N 2.76Å; K143-E146 PolarHBondContact O-N 3.12Å; K143-L147 WeakPolarHBondContact O-CB 3.21Å; K143-L147 WeakPolarHBondContact O-CG 3.4Å; K143-L147 PolarHBondContact O-N 3.11Å |
| 144 | E | 98.1 | Very high | 96.8 | Very high | 132 Ų | 132 | 96.9 Ų | 96.9 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.2 | -45.4 | 174.5 | -177.1 | 172.4 | -156.5 | 0 | 0 | 111.1 | L140 E146 L147 D148 | L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 3.06Å; E144-E146 PolarHBondContact O-N 3.17Å; E144-L147 PolarHBondContact O-N 3.01Å; E144-D148 PolarHBondContact O-N 3.26Å |
| 145 | R | 98 | Very high | 96.7 | Very high | 143 Ų | 143 | 95.3 Ų | 95.3 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.8 | -167.5 | -174.2 | -47.9 | 111.5 | 13.5 | 112.9 | E141 L142 K143 Q149 | E141-R145 WeakPolarHBondContact O-CB 3.19Å; E141-R145 PolarHBondContact O-N 3.42Å; E141-R145 PolarHBondContact O-NH2 3.4Å; L142-R145 PolarHBondContact O-N 3.32Å; K143-R145 VanDerWaalsContact C-N 3.34Å; K143-R145 PolarHBondContact O-N 2.76Å; R145-Q149 WeakPolarHBondContact O-CB 3.42Å; R145-Q149 PolarHBondContact O-N 2.81Å |
| 146 | E | 97.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 96.6 Ų | 96.6 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.7 | -177.9 | 53.8 | -144.6 | 0 | 0 | 111.3 | L142 K143 E144 D148 Q149 Q150 | L142-E146 PolarHBondContact O-N 2.87Å; K143-E146 PolarHBondContact O-N 3.12Å; E144-E146 PolarHBondContact O-N 3.17Å; E146-D148 PolarHBondContact O-N 2.94Å; E146-Q149 WeakPolarHBondContact O-CB 3.34Å; E146-Q149 PolarHBondContact O-N 2.97Å; E146-Q149 VanDerWaalsContact O-N 3.15Å; E146-Q150 WeakPolarHBondContact O-CG 3.49Å; E146-Q150 PolarHBondContact O-N 3.49Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.4Å; E146-Q150 PolarHBondContact OE1-NE2 3.32Å |
| 147 | L | 97.1 | Very high | 96.4 | Very high | 109 Ų | 109 | 94 Ų | 94 | 57% | 0.571 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | 175.4 | -72.1 | 170.3 | 0 | 0 | 0 | 112.4 | K143 E144 Q150 K151 | K143-L147 WeakPolarHBondContact O-CB 3.21Å; K143-L147 WeakPolarHBondContact O-CG 3.4Å; K143-L147 PolarHBondContact O-N 3.11Å; E144-L147 PolarHBondContact O-N 3.01Å; L147-Q150 PolarHBondContact O-N 3.1Å; L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 PolarHBondContact O-N 2.68Å |
| 148 | D | 97.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 93.7 Ų | 93.7 | 43% | 0.428 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | 174.1 | -106.9 | -9.9 | 0 | 0 | 0 | 112.3 | E144 E146 K151 L152 | E144-D148 PolarHBondContact O-N 3.26Å; E146-D148 PolarHBondContact O-N 2.94Å; D148-K151 WeakPolarHBondContact OD1-CD 3.18Å; D148-K151 WeakPolarHBondContact OD1-CE 3.24Å; D148-K151 IonicContact OD1-NZ 2.64Å; D148-K151 PolarHBondContact OD1-NZ 3.03Å; D148-L152 WeakPolarHBondContact O-CB 3.49Å; D148-L152 PolarHBondContact O-N 3.21Å |
| 149 | Q | 96.3 | Very high | 95.9 | Very high | 74 Ų | 74 | 91.8 Ų | 91.8 | 35% | 0.346 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 174.9 | -178.1 | 57.8 | 94.8 | 0 | 0 | 112 | R145 E146 L152 W153 | R145-Q149 WeakPolarHBondContact O-CB 3.42Å; R145-Q149 PolarHBondContact O-N 2.81Å; E146-Q149 WeakPolarHBondContact O-CB 3.34Å; E146-Q149 PolarHBondContact O-N 2.97Å; E146-Q149 VanDerWaalsContact O-N 3.15Å; Q149-L152 PolarHBondContact O-N 3.13Å; Q149-W153 HydrophobicContact CG-CD2 4.25Å; Q149-W153 HydrophobicContact CG-CE3 4.46Å; Q149-W153 HydrophobicContact CG-CH2 3.85Å; Q149-W153 HydrophobicContact CG-CZ2 3.61Å; Q149-W153 HydrophobicContact CG-CZ3 4.27Å; Q149-W153 VanDerWaalsContact NE2-NE1 3.14Å; Q149-W153 PolarHBondContact O-N 3.07Å |
| 150 | Q | 94.3 | Very high | 95.7 | Very high | 49 Ų | 49 | 92 Ų | 92 | 23% | 0.229 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 175.7 | -69.1 | 172.3 | 13.4 | 0 | 0 | 111.9 | E146 L147 L152 W153 L154 | E146-Q150 WeakPolarHBondContact O-CG 3.49Å; E146-Q150 PolarHBondContact O-N 3.49Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.4Å; E146-Q150 PolarHBondContact OE1-NE2 3.32Å; L147-Q150 PolarHBondContact O-N 3.1Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.39Å; Q150-W153 HydrophobicContact CG-CE3 4.4Å; Q150-W153 HydrophobicContact CG-CZ3 4.43Å; Q150-W153 PolarHBondContact O-N 3.17Å; Q150-L154 WeakPolarHBondContact O-CB 3.47Å; Q150-L154 PolarHBondContact O-N 3.41Å |
| 151 | K | 94.9 | Very high | 95.4 | Very high | 110 Ų | 110 | 90.8 Ų | 90.8 | 48% | 0.478 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 172.9 | 167.2 | -180 | 147.7 | -156 | 0 | 111.9 | L147 D148 L154 Q155 | L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 PolarHBondContact O-N 2.68Å; D148-K151 WeakPolarHBondContact OD1-CD 3.18Å; D148-K151 WeakPolarHBondContact OD1-CE 3.24Å; D148-K151 IonicContact OD1-NZ 2.64Å; D148-K151 PolarHBondContact OD1-NZ 3.03Å; K151-L154 PolarHBondContact O-N 3.3Å; K151-Q155 WeakPolarHBondContact O-CB 3.38Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.39Å; K151-Q155 PolarHBondContact O-N 3.21Å |
| 152 | L | 96.2 | Very high | 95 | Very high | 97 Ų | 97 | 91 Ų | 91 | 51% | 0.508 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.9 | -179.3 | 61.5 | 0 | 0 | 0 | 111.9 | D148 Q149 Q150 Q155 Q156 | D148-L152 WeakPolarHBondContact O-CB 3.49Å; D148-L152 PolarHBondContact O-N 3.21Å; Q149-L152 PolarHBondContact O-N 3.13Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.39Å; L152-Q155 PolarHBondContact O-N 3.27Å; L152-Q156 WeakPolarHBondContact O-CB 3.46Å; L152-Q156 PolarHBondContact O-N 3.38Å |
| 153 | W | 92.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 91.5 Ų | 91.5 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174.8 | -68.6 | -26.5 | 0 | 0 | 0 | 112.4 | Q149 Q150 Q156 S157 R316 | Q149-W153 HydrophobicContact CG-CD2 4.25Å; Q149-W153 HydrophobicContact CG-CE3 4.46Å; Q149-W153 HydrophobicContact CG-CH2 3.85Å; Q149-W153 HydrophobicContact CG-CZ2 3.61Å; Q149-W153 HydrophobicContact CG-CZ3 4.27Å; Q149-W153 VanDerWaalsContact NE2-NE1 3.14Å; Q149-W153 PolarHBondContact O-N 3.07Å; Q150-W153 HydrophobicContact CG-CE3 4.4Å; Q150-W153 HydrophobicContact CG-CZ3 4.43Å; Q150-W153 PolarHBondContact O-N 3.17Å; W153-Q156 PolarHBondContact O-N 2.89Å; W153-S157 VanDerWaalsContact O-CB 3.29Å; W153-S157 WeakPolarHBondContact O-CB 3.24Å; W153-S157 PolarHBondContact O-N 3.2Å; W153-R316 VanDerWaalsContact CD2-NH1 3.33Å |
| 154 | L | 95.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 89.4 Ų | 89.4 | 41% | 0.414 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.9 | -178.3 | 60 | 0 | 0 | 0 | 111.5 | Q150 K151 Q156 S157 I158 L314 | Q150-L154 WeakPolarHBondContact O-CB 3.47Å; Q150-L154 PolarHBondContact O-N 3.41Å; K151-L154 PolarHBondContact O-N 3.3Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.18Å; L154-S157 PolarHBondContact O-N 3.48Å; L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 4.18Å; L154-I158 HydrophobicContact CG-CD1 3.88Å; L154-I158 WeakPolarHBondContact O-CB 3.46Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.19Å; L154-I158 PolarHBondContact O-N 3.35Å; L154-L314 HydrophobicContact CD1-CD1 4.46Å; L154-L314 HydrophobicContact CD2-CD1 4.29Å |
| 155 | Q | 94.1 | Very high | 94.1 | Very high | 117 Ų | 117 | 87.7 Ų | 87.7 | 55% | 0.547 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.7 | -76.2 | 179.7 | -14 | 0 | 0 | 112.1 | K151 L152 K159 | K151-Q155 WeakPolarHBondContact O-CB 3.38Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.39Å; K151-Q155 PolarHBondContact O-N 3.21Å; L152-Q155 PolarHBondContact O-N 3.27Å; Q155-K159 WeakPolarHBondContact O-CB 3.15Å; Q155-K159 PolarHBondContact O-N 2.79Å |
| 156 | Q | 93.2 | Very high | 93.8 | Very high | 81 Ų | 81 | 85.9 Ų | 85.9 | 38% | 0.379 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.4 | -37.2 | 176.7 | -172.2 | 59.1 | 50.2 | 0 | 0 | 112.2 | L152 W153 L154 K159 N160 | L152-Q156 WeakPolarHBondContact O-CB 3.46Å; L152-Q156 PolarHBondContact O-N 3.38Å; W153-Q156 PolarHBondContact O-N 2.89Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.18Å; Q156-K159 PolarHBondContact O-N 2.86Å; Q156-N160 PolarHBondContact NE2-OD1 3.05Å; Q156-N160 WeakPolarHBondContact O-CB 3.37Å; Q156-N160 PolarHBondContact O-N 2.95Å; Q156-N160 PolarHBondContact O-ND2 2.88Å; Q156-N160 PolarHBondContact O-OD1 3.18Å |
| 157 | S | 94.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 84.9 Ų | 84.9 | 15% | 0.154 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.2 | -49.7 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | W153 L154 K159 N160 V161 | W153-S157 VanDerWaalsContact O-CB 3.29Å; W153-S157 WeakPolarHBondContact O-CB 3.24Å; W153-S157 PolarHBondContact O-N 3.2Å; L154-S157 PolarHBondContact O-N 3.48Å; S157-K159 VanDerWaalsContact C-N 3.28Å; S157-K159 PolarHBondContact O-N 2.85Å; S157-N160 WeakPolarHBondContact O-CB 3.44Å; S157-N160 PolarHBondContact O-N 3.08Å; S157-N160 VanDerWaalsContact O-N 3.15Å; S157-V161 WeakPolarHBondContact O-CG2 3.15Å; S157-V161 PolarHBondContact O-N 2.98Å |
| 158 | I | 94 | Very high | 93.1 | Very high | 85 Ų | 85 | 84.8 Ų | 84.8 | 44% | 0.436 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 173.9 | -70.5 | 167.8 | 0 | 0 | 0 | 110.4 | L154 V161 M162 | L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 4.18Å; L154-I158 HydrophobicContact CG-CD1 3.88Å; L154-I158 WeakPolarHBondContact O-CB 3.46Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.19Å; L154-I158 PolarHBondContact O-N 3.35Å; I158-V161 PolarHBondContact O-N 3.39Å; I158-M162 HydrophobicContact CG2-CE 3.8Å; I158-M162 HydrophobicContact CG2-CG 4.47Å; I158-M162 HydrophobicContact CG2-SD 4.01Å; I158-M162 VanDerWaalsContact O-CG 3.31Å; I158-M162 WeakPolarHBondContact O-CG 3.49Å; I158-M162 PolarHBondContact O-N 2.95Å |
| 159 | K | 92.8 | Very high | 92.8 | Very high | 100 Ų | 100 | 90.5 Ų | 90.5 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 175.4 | -177.2 | 178.3 | 175.6 | -174.9 | 0 | 112.3 | Q155 Q156 S157 V161 M162 D163 | Q155-K159 WeakPolarHBondContact O-CB 3.15Å; Q155-K159 PolarHBondContact O-N 2.79Å; Q156-K159 PolarHBondContact O-N 2.86Å; S157-K159 VanDerWaalsContact C-N 3.28Å; S157-K159 PolarHBondContact O-N 2.85Å; K159-V161 VanDerWaalsContact C-N 3.26Å; K159-V161 PolarHBondContact O-N 2.86Å; K159-M162 PolarHBondContact O-N 3.16Å; K159-D163 WeakPolarHBondContact CE-OD2 3.42Å; K159-D163 VanDerWaalsContact CG-OD2 3.28Å; K159-D163 WeakPolarHBondContact CG-OD2 3.21Å; K159-D163 WeakPolarHBondContact O-CB 3.23Å; K159-D163 PolarHBondContact O-N 2.82Å |
| 160 | N | 92 | Very high | 92.6 | Very high | 69 Ų | 69 | 93.2 Ų | 93.2 | 37% | 0.369 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56 | -42.2 | 178.4 | -67.7 | -16.8 | 0 | 0 | 0 | 111.5 | Q156 S157 D164 | Q156-N160 PolarHBondContact NE2-OD1 3.05Å; Q156-N160 WeakPolarHBondContact O-CB 3.37Å; Q156-N160 PolarHBondContact O-N 2.95Å; Q156-N160 PolarHBondContact O-ND2 2.88Å; Q156-N160 PolarHBondContact O-OD1 3.18Å; S157-N160 WeakPolarHBondContact O-CB 3.44Å; S157-N160 PolarHBondContact O-N 3.08Å; S157-N160 VanDerWaalsContact O-N 3.15Å; N160-D164 PolarHBondContact O-N 3.03Å |
| 161 | V | 92.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 95.7 Ų | 95.7 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 179.5 | 173 | 0 | 0 | 0 | 0 | 112.2 | S157 I158 K159 N167 | S157-V161 WeakPolarHBondContact O-CG2 3.15Å; S157-V161 PolarHBondContact O-N 2.98Å; I158-V161 PolarHBondContact O-N 3.39Å; K159-V161 VanDerWaalsContact C-N 3.26Å; K159-V161 PolarHBondContact O-N 2.86Å; V161-N167 WeakPolarHBondContact O-CB 3.23Å; V161-N167 PolarHBondContact O-ND2 3.46Å |
| 162 | M | 89.9 | Confident | 92.4 | Very high | 111 Ų | 111 | 98.2 Ų | 98.2 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78 | -35.8 | 179.9 | -67.6 | -174.9 | -47.2 | 0 | 0 | 114.1 | I158 K159 D164 N168 | I158-M162 HydrophobicContact CG2-CE 3.8Å; I158-M162 HydrophobicContact CG2-CG 4.47Å; I158-M162 HydrophobicContact CG2-SD 4.01Å; I158-M162 VanDerWaalsContact O-CG 3.31Å; I158-M162 WeakPolarHBondContact O-CG 3.49Å; I158-M162 PolarHBondContact O-N 2.95Å; K159-M162 PolarHBondContact O-N 3.16Å; M162-D164 VanDerWaalsContact C-N 3.31Å; M162-N168 PolarHBondContact O-ND2 3.14Å |
| 163 | D | 90.2 | Very high | 92.3 | Very high | 109 Ų | 109 | 98.3 Ų | 98.3 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -79 | -13.2 | -178.4 | -73.4 | -6.2 | 0 | 0 | 0 | 112.3 | K159 S165 | K159-D163 WeakPolarHBondContact CE-OD2 3.42Å; K159-D163 VanDerWaalsContact CG-OD2 3.28Å; K159-D163 WeakPolarHBondContact CG-OD2 3.21Å; K159-D163 WeakPolarHBondContact O-CB 3.23Å; K159-D163 PolarHBondContact O-N 2.82Å; D163-S165 PolarHBondContact O-N 3.16Å |
| 164 | D | 92.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 96.8 Ų | 96.8 | 33% | 0.326 | 50% | 0.495 | S | S | . | . | trans | -67.6 | 119.8 | 174 | -175.6 | -14.8 | 0 | 0 | 0 | 111.5 | N160 M162 I166 N167 N168 | N160-D164 PolarHBondContact O-N 3.03Å; M162-D164 VanDerWaalsContact C-N 3.31Å; D164-I166 PolarHBondContact O-N 3.42Å; D164-I166 VanDerWaalsContact O-N 3.12Å; D164-I166 PolarHBondContact OD1-N 3.41Å; D164-N167 HydrophobicContact CB-CB 4.25Å; D164-N167 PolarHBondContact O-N 3.17Å; D164-N167 VanDerWaalsContact O-N 3.17Å; D164-N168 VanDerWaalsContact O-CB 3.31Å; D164-N168 WeakPolarHBondContact O-CB 3.49Å; D164-N168 PolarHBondContact O-N 2.93Å | ||
| 165 | S | 91.8 | Very high | 91.9 | Very high | 96 Ų | 96 | 98.6 Ų | 98.6 | 67% | 0.671 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -51.7 | -29 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 115.7 | D163 | D163-S165 PolarHBondContact O-N 3.16Å |
| 166 | I | 92.3 | Very high | 91.6 | Very high | 105 Ų | 105 | 99.3 Ų | 99.3 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.1 | -54.1 | 177.4 | -59 | 177.8 | 0 | 0 | 0 | 109 | D164 N168 R169 F170 | D164-I166 PolarHBondContact O-N 3.42Å; D164-I166 VanDerWaalsContact O-N 3.12Å; D164-I166 PolarHBondContact OD1-N 3.41Å; I166-N168 VanDerWaalsContact C-N 3.29Å; I166-N168 PolarHBondContact O-N 2.94Å; I166-R169 WeakPolarHBondContact O-CB 3.36Å; I166-R169 PolarHBondContact O-N 2.99Å; I166-R169 VanDerWaalsContact O-N 3.15Å; I166-F170 HydrophobicContact CG2-CD2 4.4Å; I166-F170 HydrophobicContact CG2-CE2 4.06Å; I166-F170 WeakPolarHBondContact O-CD2 3.49Å |
| 167 | N | 90.4 | Very high | 91.5 | Very high | 63 Ų | 63 | 99.4 Ų | 99.4 | 34% | 0.337 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 179.9 | -62.3 | -24.8 | 0 | 0 | 0 | 111.7 | V161 D164 R169 F170 S171 | V161-N167 WeakPolarHBondContact O-CB 3.23Å; V161-N167 PolarHBondContact O-ND2 3.46Å; D164-N167 HydrophobicContact CB-CB 4.25Å; D164-N167 PolarHBondContact O-N 3.17Å; D164-N167 VanDerWaalsContact O-N 3.17Å; N167-R169 PolarHBondContact O-N 3.19Å; N167-F170 CarbonylContact O-C 3.52Å; N167-F170 WeakPolarHBondContact O-CA 3.42Å; N167-F170 PolarHBondContact O-N 3.15Å; N167-S171 PolarHBondContact O-N 3.34Å |
| 168 | N | 89.5 | Confident | 91.4 | Very high | 106 Ų | 106 | 100.5 Ų | 100.5 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.4 | -39.3 | 176.4 | -160.1 | -82.5 | 0 | 0 | 0 | 111.9 | M162 D164 I166 F170 S171 | M162-N168 PolarHBondContact O-ND2 3.14Å; D164-N168 VanDerWaalsContact O-CB 3.31Å; D164-N168 WeakPolarHBondContact O-CB 3.49Å; D164-N168 PolarHBondContact O-N 2.93Å; I166-N168 VanDerWaalsContact C-N 3.29Å; I166-N168 PolarHBondContact O-N 2.94Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.35Å; N168-S171 WeakPolarHBondContact O-CB 3.23Å; N168-S171 PolarHBondContact O-N 3.06Å |
| 169 | R | 90.6 | Very high | 91.1 | Very high | 200 Ų | 200 | 97.5 Ų | 97.5 | 76% | 0.755 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -24.3 | 175.9 | -176.4 | 174.8 | 178.2 | 136.7 | 3 | 113.7 | I166 N167 Y172 | I166-R169 WeakPolarHBondContact O-CB 3.36Å; I166-R169 PolarHBondContact O-N 2.99Å; I166-R169 VanDerWaalsContact O-N 3.15Å; N167-R169 PolarHBondContact O-N 3.19Å; R169-Y172 WeakPolarHBondContact O-CD1 3.45Å; R169-Y172 WeakPolarHBondContact O-CE1 3.18Å |
| 170 | F | 91.9 | Very high | 90.9 | Very high | 131 Ų | 131 | 97.2 Ų | 97.2 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -102 | 2.2 | 176.7 | -59.6 | -69.4 | 0 | 0 | 0 | 113.2 | I166 N167 N168 Y172 | I166-F170 HydrophobicContact CG2-CD2 4.4Å; I166-F170 HydrophobicContact CG2-CE2 4.06Å; I166-F170 WeakPolarHBondContact O-CD2 3.49Å; N167-F170 CarbonylContact O-C 3.52Å; N167-F170 WeakPolarHBondContact O-CA 3.42Å; N167-F170 PolarHBondContact O-N 3.15Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.35Å; F170-Y172 PolarHBondContact O-N 2.96Å |
| 171 | S | 92.4 | Very high | 90.8 | Very high | 101 Ų | 101 | 98.2 Ų | 98.2 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | trans | -81.5 | 66.9 | 179.7 | -158.2 | 0 | 0 | 0 | 0 | 111.2 | N167 N168 | N167-S171 PolarHBondContact O-N 3.34Å; N168-S171 WeakPolarHBondContact O-CB 3.23Å; N168-S171 PolarHBondContact O-N 3.06Å | ||
| 172 | Y | 91.9 | Very high | 90.5 | Very high | 163 Ų | 163 | 100 Ų | 100 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | trans | -144.2 | 165 | 176.9 | 65.4 | -99.3 | 0 | 0 | 0 | 111.9 | R169 F170 T174 | R169-Y172 WeakPolarHBondContact O-CD1 3.45Å; R169-Y172 WeakPolarHBondContact O-CE1 3.18Å; F170-Y172 PolarHBondContact O-N 2.96Å; Y172-T174 HydrophobicContact CE2-CG2 4.42Å | ||
| 173 | V | 93.4 | Very high | 90.3 | Very high | 99 Ų | 99 | 101 Ų | 101 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | trans | -119.8 | 148.1 | 171 | -68 | 0 | 0 | 0 | 0 | 108.7 | I178 | V173-I178 HydrophobicContact CB-CD1 4.19Å; V173-I178 HydrophobicContact CB-CG1 4.11Å; V173-I178 HydrophobicContact CG1-CD1 4.5Å; V173-I178 HydrophobicContact CG2-CD1 3.91Å; V173-I178 HydrophobicContact CG2-CG1 3.71Å | ||
| 174 | T | 91.8 | Very high | 89.9 | Confident | 63 Ų | 63 | 99.3 Ų | 99.3 | 39% | 0.387 | 53% | 0.53 | S | S | . | . | trans | -84.6 | 166.6 | 177.3 | 76.2 | 0 | 0 | 0 | 0 | 111.7 | Y172 E176 D177 I178 | Y172-T174 HydrophobicContact CE2-CG2 4.42Å; T174-E176 PolarHBondContact O-N 3.42Å; T174-E176 PolarHBondContact OG1-N 3.43Å; T174-D177 WeakPolarHBondContact CA-OD2 3.36Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.36Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.48Å; T174-D177 PolarHBondContact N-OD2 2.85Å; T174-D177 PolarHBondContact OG1-N 3.39Å; T174-D177 PolarHBondContact OG1-OD2 3.5Å; T174-I178 PolarHBondContact O-N 2.87Å | ||
| 175 | H | 87.8 | Confident | 89.7 | Confident | 117 Ų | 117 | 101.1 Ų | 101.1 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 169.7 | 171.2 | -77.9 | 0 | 0 | 0 | 111.9 | C179 | H175-C179 VanDerWaalsContact CE1-SG 3.55Å; H175-C179 VanDerWaalsContact O-CB 3.29Å; H175-C179 WeakPolarHBondContact O-CB 3.22Å; H175-C179 PolarHBondContact O-N 2.76Å; H175-C179 PolarHBondContact O-SG 2.91Å; H175-C179 VanDerWaalsContact O-SG 3.36Å |
| 176 | E | 89.4 | Confident | 89.5 | Confident | 132 Ų | 132 | 102 Ų | 102 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.2 | -46.3 | -178 | -177.4 | 164.3 | -177.5 | 0 | 0 | 111.3 | T174 I178 C179 N180 | T174-E176 PolarHBondContact O-N 3.42Å; T174-E176 PolarHBondContact OG1-N 3.43Å; E176-I178 VanDerWaalsContact C-N 3.33Å; E176-I178 PolarHBondContact O-N 2.93Å; E176-C179 PolarHBondContact O-N 2.7Å; E176-N180 WeakPolarHBondContact CG-ND2 3.25Å; E176-N180 VanDerWaalsContact O-CB 3.26Å; E176-N180 WeakPolarHBondContact O-CB 3.28Å; E176-N180 PolarHBondContact O-N 3.16Å; E176-N180 PolarHBondContact O-ND2 3.25Å |
| 177 | D | 90.9 | Very high | 89.5 | Confident | 82 Ų | 82 | 98.1 Ų | 98.1 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -53.5 | -50.3 | 177.2 | -53.3 | -50.2 | 0 | 0 | 0 | 111.4 | T174 C181 | T174-D177 WeakPolarHBondContact CA-OD2 3.36Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.36Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.48Å; T174-D177 PolarHBondContact N-OD2 2.85Å; T174-D177 PolarHBondContact OG1-N 3.39Å; T174-D177 PolarHBondContact OG1-OD2 3.5Å; D177-C181 PolarHBondContact O-N 3.47Å; D177-C181 PolarHBondContact O-SG 2.77Å; D177-C181 VanDerWaalsContact O-SG 3.39Å |
| 178 | I | 90.8 | Very high | 89.6 | Confident | 45 Ų | 45 | 100.2 Ų | 100.2 | 23% | 0.231 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -74 | -36.5 | -175 | -60.4 | -58.6 | 0 | 0 | 0 | 112.3 | V173 T174 E176 C181 F182 L187 I229 | V173-I178 HydrophobicContact CB-CD1 4.19Å; V173-I178 HydrophobicContact CB-CG1 4.11Å; V173-I178 HydrophobicContact CG1-CD1 4.5Å; V173-I178 HydrophobicContact CG2-CD1 3.91Å; V173-I178 HydrophobicContact CG2-CG1 3.71Å; T174-I178 PolarHBondContact O-N 2.87Å; E176-I178 VanDerWaalsContact C-N 3.33Å; E176-I178 PolarHBondContact O-N 2.93Å; I178-C181 PolarHBondContact O-N 2.88Å; I178-F182 HydrophobicContact CG2-CD2 4.48Å; I178-F182 WeakPolarHBondContact O-CD2 3.47Å; I178-F182 PolarHBondContact O-N 3.15Å; I178-L187 HydrophobicContact CG2-CD1 4.39Å; I178-I229 HydrophobicContact CB-CD1 4.48Å; I178-I229 HydrophobicContact CG2-CD1 3.66Å |
| 179 | C | 87.8 | Confident | 89.7 | Confident | 22 Ų | 22 | 97 Ų | 97 | 15% | 0.149 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 175.4 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | H175 E176 C181 F182 N183 | H175-C179 VanDerWaalsContact CE1-SG 3.55Å; H175-C179 VanDerWaalsContact O-CB 3.29Å; H175-C179 WeakPolarHBondContact O-CB 3.22Å; H175-C179 PolarHBondContact O-N 2.76Å; H175-C179 PolarHBondContact O-SG 2.91Å; H175-C179 VanDerWaalsContact O-SG 3.36Å; E176-C179 PolarHBondContact O-N 2.7Å; C179-C181 VanDerWaalsContact C-N 3.27Å; C179-C181 PolarHBondContact O-N 3.31Å; C179-F182 CarbonylContact O-C 3.41Å; C179-F182 PolarHBondContact O-N 3.38Å; C179-F182 VanDerWaalsContact O-N 3.11Å; C179-N183 PolarHBondContact O-N 3.06Å; C179-N183 PolarHBondContact O-OD1 2.89Å |
| 180 | N | 88.5 | Confident | 89.9 | Confident | 94 Ų | 94 | 91.1 Ų | 91.1 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -32.2 | 176.4 | -73.2 | -17.5 | 0 | 0 | 0 | 112.5 | E176 N183 | E176-N180 WeakPolarHBondContact CG-ND2 3.25Å; E176-N180 VanDerWaalsContact O-CB 3.26Å; E176-N180 WeakPolarHBondContact O-CB 3.28Å; E176-N180 PolarHBondContact O-N 3.16Å; E176-N180 PolarHBondContact O-ND2 3.25Å; N180-N183 PolarHBondContact O-ND2 3.33Å; N180-N183 VanDerWaalsContact O-ND2 3.08Å |
| 181 | C | 90.4 | Very high | 90 | Very high | 90 Ų | 90 | 91.2 Ų | 91.2 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.3 | -29.3 | 172.6 | -73.9 | 0 | 0 | 0 | 0 | 114.3 | D177 I178 C179 | D177-C181 PolarHBondContact O-N 3.47Å; D177-C181 PolarHBondContact O-SG 2.77Å; D177-C181 VanDerWaalsContact O-SG 3.39Å; I178-C181 PolarHBondContact O-N 2.88Å; C179-C181 VanDerWaalsContact C-N 3.27Å; C179-C181 PolarHBondContact O-N 3.31Å |
| 182 | F | 87.1 | Confident | 90.1 | Very high | 109 Ų | 109 | 88.4 Ų | 88.4 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -135.4 | 60.6 | -167.3 | -60.6 | -73 | 0 | 0 | 0 | 112.3 | I178 C179 G184 D185 L187 | I178-F182 HydrophobicContact CG2-CD2 4.48Å; I178-F182 WeakPolarHBondContact O-CD2 3.47Å; I178-F182 PolarHBondContact O-N 3.15Å; C179-F182 CarbonylContact O-C 3.41Å; C179-F182 PolarHBondContact O-N 3.38Å; C179-F182 VanDerWaalsContact O-N 3.11Å; F182-G184 PolarHBondContact O-N 3.21Å; F182-D185 PolarHBondContact O-N 3.19Å; F182-L187 HydrophobicContact CB-CD1 3.92Å; F182-L187 HydrophobicContact CB-CD2 3.64Å; F182-L187 HydrophobicContact CB-CG 4.3Å; F182-L187 HydrophobicContact CD2-CD2 4.13Å; F182-L187 HydrophobicContact CG-CD2 3.98Å |
| 183 | N | 84.7 | Confident | 90.3 | Very high | 132 Ų | 132 | 82.5 Ų | 82.5 | 71% | 0.706 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 114.5 | -176.2 | -70.9 | -61.9 | 0 | 0 | 0 | 113.1 | C179 N180 | C179-N183 PolarHBondContact O-N 3.06Å; C179-N183 PolarHBondContact O-OD1 2.89Å; N180-N183 PolarHBondContact O-ND2 3.33Å; N180-N183 VanDerWaalsContact O-ND2 3.08Å |
| 184 | G | 82.6 | Confident | 90.4 | Very high | 74 Ų | 74 | 83.3 Ų | 83.3 | 76% | 0.763 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | -10.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F182 | F182-G184 PolarHBondContact O-N 3.21Š|
| 185 | D | 87.2 | Confident | 90.5 | Very high | 100 Ų | 100 | 83.5 Ų | 83.5 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -84.3 | 156.7 | -179.8 | -81.7 | -42.6 | 0 | 0 | 0 | 113.5 | F182 L187 N230 | F182-D185 PolarHBondContact O-N 3.19Å; D185-L187 HydrophobicContact CB-CD2 4.36Å; D185-L187 PolarHBondContact O-N 3.48Å; D185-N230 PolarHBondContact O-ND2 3.11Å |
| 186 | T | 88.9 | Confident | 90.9 | Very high | 114 Ų | 114 | 79.4 Ų | 79.4 | 70% | 0.699 | 48% | 0.478 | S | S | * | . | trans | -86.8 | 105.8 | 171.9 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | L228 | T186-L228 HydrophobicContact CG2-CD1 3.84Š| ||
| 187 | L | 92.2 | Very high | 91.2 | Very high | 23 Ų | 23 | 78.4 Ų | 78.4 | 12% | 0.12 | 47% | 0.473 | C | S | . | . | trans | -99 | 127.9 | -167 | -65.7 | 166.2 | 0 | 0 | 0 | 113.1 | I178 F182 D185 I229 N230 | I178-L187 HydrophobicContact CG2-CD1 4.39Å; F182-L187 HydrophobicContact CB-CD1 3.92Å; F182-L187 HydrophobicContact CB-CD2 3.64Å; F182-L187 HydrophobicContact CB-CG 4.3Å; F182-L187 HydrophobicContact CD2-CD2 4.13Å; F182-L187 HydrophobicContact CG-CD2 3.98Å; D185-L187 HydrophobicContact CB-CD2 4.36Å; D185-L187 PolarHBondContact O-N 3.48Å; L187-I229 HydrophobicContact CB-CB 3.97Å; L187-I229 HydrophobicContact CB-CD1 4.17Å; L187-I229 HydrophobicContact CB-CG1 4.3Å; L187-I229 PolarHBondContact O-N 2.87Å; L187-N230 HydrophobicContact CB-CB 4.38Å; L187-N230 HydrophobicContact CD1-CB 4.39Å | ||
| 188 | L | 91.5 | Very high | 91.3 | Very high | 107 Ų | 107 | 79.8 Ų | 79.8 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 111.1 | 177.9 | -62.9 | 176.9 | 0 | 0 | 0 | 110.6 | V226 L227 L228 | L188-V226 HydrophobicContact CB-CG1 4.38Å; L188-V226 HydrophobicContact CD2-CG1 4.37Å; L188-L227 CarbonylContact C-O 3.53Å; L188-L227 WeakPolarHBondContact CA-O 3.46Å; L188-L228 HydrophobicContact CD2-CB 4.21Å; L188-L228 HydrophobicContact CD2-CD1 3.91Å |
| 189 | A | 93 | Very high | 91.5 | Very high | 39 Ų | 39 | 83 Ų | 83 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 127.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V226 L227 I229 | A189-V226 CarbonylContact O-C 3.59Å; A189-V226 VanDerWaalsContact O-CA 3.31Å; A189-V226 WeakPolarHBondContact O-CA 3.06Å; A189-L227 HydrophobicContact CB-CB 4.39Å; A189-L227 HydrophobicContact CB-CD1 4.43Å; A189-L227 PolarHBondContact N-O 3.09Å; A189-L227 PolarHBondContact O-N 2.94Å; A189-I229 HydrophobicContact CB-CD1 4.03Å; A189-I229 HydrophobicContact CB-CG1 4.22Å |
| 190 | I | 93.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 86.2 Ų | 86.2 | 40% | 0.395 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110.6 | 177.1 | -60.6 | 161.4 | 0 | 0 | 0 | 108.1 | A192 L217 I224 V226 | I190-A192 HydrophobicContact CG2-CB 4.44Å; I190-L217 HydrophobicContact CD1-CD1 4.01Å; I190-L217 HydrophobicContact CG1-CD1 4.34Å; I190-L217 HydrophobicContact CG2-CD1 3.93Å; I190-I224 HydrophobicContact CG2-CG2 4.07Å; I190-V226 HydrophobicContact CG1-CG1 4.3Å; I190-V226 HydrophobicContact CG1-CG2 4.3Å |
| 191 | Q | 94.3 | Very high | 91.9 | Very high | 133 Ų | 133 | 84 Ų | 84 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.4 | 171.5 | -175.2 | -176.1 | 32.2 | 0 | 0 | 108.5 | H225 | Q191-H225 HydrophobicContact CB-CB 4.32Å; Q191-H225 PolarHBondContact N-O 3.02Å; Q191-H225 PolarHBondContact O-N 3.5Å |
| 192 | A | 95 | Very high | 91.9 | Very high | 42 Ų | 42 | 87.3 Ų | 87.3 | 35% | 0.347 | 51% | 0.513 | S | S | . | . | trans | -136.6 | 150.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I190 T196 I224 | I190-A192 HydrophobicContact CG2-CB 4.44Å; A192-T196 HydrophobicContact CB-CG2 3.87Å; A192-I224 HydrophobicContact CB-CG1 4.16Å; A192-I224 HydrophobicContact CB-CG2 4.08Å | ||
| 193 | P | 96.2 | Very high | 91.9 | Very high | 39 Ų | 39 | 84.2 Ų | 84.2 | 25% | 0.253 | 51% | 0.505 | S | S | . | . | trans | -56.9 | 150.6 | 171.8 | -26.7 | 35.1 | 0 | 0 | 0 | 112.7 | T196 S221 P223 | P193-T196 VanDerWaalsContact O-CB 3.28Å; P193-T196 WeakPolarHBondContact O-CB 3.49Å; P193-T196 PolarHBondContact O-N 3.04Å; P193-T196 VanDerWaalsContact O-N 3.12Å; P193-T196 PolarHBondContact O-OG1 3Å; P193-S221 VanDerWaalsContact CB-OG 3.31Å; P193-S221 WeakPolarHBondContact CB-OG 3.35Å; P193-P223 WeakPolarHBondContact CD-O 3.38Å | ||
| 194 | S | 93.9 | Very high | 91.7 | Very high | 116 Ų | 116 | 85.8 Ų | 85.8 | 81% | 0.811 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 141.6 | 171.5 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | T196 S221 | S194-T196 VanDerWaalsContact C-N 3.32Å; S194-S221 PolarHBondContact O-OG 3.05Å |
| 195 | G | 93.6 | Very high | 91.5 | Very high | 67 Ų | 67 | 88.9 Ų | 88.9 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 2.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q197 | G195-Q197 PolarHBondContact O-N 3.25Š|
| 196 | T | 96.1 | Very high | 90.9 | Very high | 31 Ų | 31 | 85.7 Ų | 85.7 | 19% | 0.19 | 50% | 0.495 | C | S | . | . | trans | -60.7 | 127.7 | 168.2 | -64 | 0 | 0 | 0 | 0 | 110.3 | A192 P193 S194 S219 I224 | A192-T196 HydrophobicContact CB-CG2 3.87Å; P193-T196 VanDerWaalsContact O-CB 3.28Å; P193-T196 WeakPolarHBondContact O-CB 3.49Å; P193-T196 PolarHBondContact O-N 3.04Å; P193-T196 VanDerWaalsContact O-N 3.12Å; P193-T196 PolarHBondContact O-OG1 3Å; S194-T196 VanDerWaalsContact C-N 3.32Å; T196-S219 WeakPolarHBondContact OG1-CB 3.32Å; T196-S219 PolarHBondContact OG1-OG 2.7Å; T196-I224 HydrophobicContact CG2-CD1 3.64Å; T196-I224 HydrophobicContact CG2-CG1 4.37Å | ||
| 197 | Q | 95.8 | Very high | 90 | Very high | 111 Ų | 111 | 90.6 Ų | 90.6 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.2 | 177.7 | -64.7 | 172.7 | -15.7 | 0 | 0 | 109.5 | G195 L217 K218 | G195-Q197 PolarHBondContact O-N 3.25Å; Q197-L217 WeakPolarHBondContact O-CA 3.4Å; Q197-K218 HydrophobicContact CB-CB 4.36Å; Q197-K218 PolarHBondContact N-O 3.24Å; Q197-K218 PolarHBondContact O-N 3.43Å |
| 198 | L | 94.9 | Very high | 89.1 | Confident | 111 Ų | 111 | 94.9 Ų | 94.9 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.4 | 170.4 | -174.7 | 158.8 | 0 | 0 | 0 | 107.9 | V200 I215 N216 L217 | L198-V200 HydrophobicContact CD2-CG2 3.76Å; L198-I215 HydrophobicContact CD2-CG2 4.39Å; L198-I215 HydrophobicContact CG-CG2 4.21Å; L198-N216 WeakPolarHBondContact CA-O 3.23Å; L198-L217 HydrophobicContact CB-CD2 3.94Å; L198-L217 HydrophobicContact CD1-CD2 3.79Å; L198-L217 HydrophobicContact CG-CD2 3.67Å |
| 199 | E | 94.8 | Very high | 88.5 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.3 | 178.5 | 171.4 | -167.9 | -133.7 | 0 | 0 | 109.3 | P201 N216 | E199-P201 HydrophobicContact CG-CG 4.3Å; E199-N216 HydrophobicContact CB-CB 4.19Å; E199-N216 PolarHBondContact N-O 3.27Å; E199-N216 PolarHBondContact O-N 3.04Å; E199-N216 PolarHBondContact OE2-ND2 3.24Å |
| 200 | V | 94.1 | Very high | 87.8 | Confident | 91 Ų | 91 | 96.1 Ų | 96.1 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | trans | -120 | 96.8 | 173.4 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | L198 I215 | L198-V200 HydrophobicContact CD2-CG2 3.76Å; V200-I215 HydrophobicContact CG2-CG1 4.33Å; V200-I215 HydrophobicContact CG2-CG2 4.49Å | ||
| 201 | P | 90.8 | Very high | 87.2 | Confident | 47 Ų | 47 | 98.8 Ų | 98.8 | 31% | 0.305 | 55% | 0.548 | S | S | . | . | trans | -60.1 | 148.6 | 177.7 | -24.9 | 35.9 | 0 | 0 | 0 | 112 | E199 P203 Q214 | E199-P201 HydrophobicContact CG-CG 4.3Å; P201-P203 WeakPolarHBondContact O-CD 3.47Å; P201-Q214 WeakPolarHBondContact CD-O 3.49Å | ||
| 202 | I | 88.5 | Confident | 86.7 | Confident | 159 Ų | 159 | 99.1 Ų | 99.1 | 82% | 0.815 | 55% | 0.548 | S | S | * | . | trans | -61.7 | 127 | 174.4 | -65.2 | 165.1 | 0 | 0 | 0 | 108.4 | E204 | I202-E204 PolarHBondContact O-N 3.35Š| ||
| 203 | P | 87.4 | Confident | 86.4 | Confident | 45 Ų | 45 | 104.7 Ų | 104.7 | 29% | 0.292 | 56% | 0.561 | S | S | . | * | trans | -61.6 | 111.6 | -174.9 | -26.5 | 35 | 0 | 0 | 0 | 113.1 | P201 K211 K212 Y213 | P201-P203 WeakPolarHBondContact O-CD 3.47Å; P203-K211 HydrophobicContact CB-CB 4.18Å; P203-K212 WeakPolarHBondContact CA-O 3.32Å; P203-K212 WeakPolarHBondContact CB-O 3.49Å; P203-Y213 HydrophobicContact CB-CD1 4.3Å; P203-Y213 HydrophobicContact CB-CE1 4.23Å; P203-Y213 HydrophobicContact CG-CD1 3.48Å; P203-Y213 VanDerWaalsContact CG-CD1 3.48Å; P203-Y213 HydrophobicContact CG-CE1 3.43Å; P203-Y213 VanDerWaalsContact CG-CE1 3.43Å; P203-Y213 HydrophobicContact CG-CG 4.12Å | ||
| 204 | E | 81.3 | Confident | 86 | Confident | 165 Ų | 165 | 106.9 Ų | 106.9 | 77% | 0.771 | 57% | 0.567 | S | S | * | * | trans | -67 | 143.7 | 170 | -66.9 | -169.8 | 160.8 | 0 | 0 | 110.6 | I202 K212 | I202-E204 PolarHBondContact O-N 3.35Å; E204-K212 PolarHBondContact O-N 3.14Å; E204-K212 VanDerWaalsContact O-N 3.14Å | ||
| 205 | M | 77.6 | Confident | 86 | Confident | 138 Ų | 138 | 106.3 Ų | 106.3 | 68% | 0.68 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -88.3 | 110.5 | 174.7 | -162.9 | 168.2 | -164.9 | 0 | 0 | 108.2 | G209 | M205-G209 WeakPolarHBondContact CE-O 3.44Å |
| 206 | G | 74.4 | Confident | 86 | Confident | 34 Ų | 34 | 105.7 Ų | 105.7 | 35% | 0.351 | 54% | 0.535 | S | S | . | . | trans | -61.2 | 164.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N208 G209 Q210 | G206-N208 PolarHBondContact O-N 3.25Å; G206-G209 PolarHBondContact O-N 3.12Å; G206-Q210 PolarHBondContact N-O 2.84Å | ||
| 207 | Q | 71.5 | Confident | 85.9 | Confident | 217 Ų | 217 | 107 Ų | 107 | 100% | 1.014 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.9 | 178.8 | -61.9 | 177.3 | 2.1 | 0 | 0 | 113.5 | ||
| 208 | N | 73.4 | Confident | 85.9 | Confident | 113 Ų | 113 | 107.5 Ų | 107.5 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 12.5 | 176 | 64.4 | -14.8 | 0 | 0 | 0 | 113.7 | G206 Q210 | G206-N208 PolarHBondContact O-N 3.25Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact ND2-OE1 2.93Å; N208-Q210 PolarHBondContact O-N 3.32Å; N208-Q210 PolarHBondContact OD1-N 3.34Å |
| 209 | G | 77.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 103.6 Ų | 103.6 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | S | Bend | trans | 78.1 | -2.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | M205 G206 | M205-G209 WeakPolarHBondContact CE-O 3.44Å; G206-G209 PolarHBondContact O-N 3.12Å |
| 210 | Q | 78.8 | Confident | 85.8 | Confident | 134 Ų | 134 | 104.3 Ų | 104.3 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 134.2 | 179.8 | -66.8 | -177.2 | -41.8 | 0 | 0 | 111.2 | G206 N208 | G206-Q210 PolarHBondContact N-O 2.84Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact ND2-OE1 2.93Å; N208-Q210 PolarHBondContact O-N 3.32Å; N208-Q210 PolarHBondContact OD1-N 3.34Å |
| 211 | K | 81.8 | Confident | 85.8 | Confident | 132 Ų | 132 | 103.8 Ų | 103.8 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | B | Isolated β-bridge | trans | -77.5 | 120.6 | 171 | -66.3 | -176 | -178.7 | -178.3 | 0 | 109.4 | P203 Y213 | P203-K211 HydrophobicContact CB-CB 4.18Å; K211-Y213 HydrophobicContact CB-CD2 4.43Å; K211-Y213 HydrophobicContact CB-CE2 3.7Å |
| 212 | K | 84.1 | Confident | 85.9 | Confident | 141 Ų | 141 | 103.1 Ų | 103.1 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -93 | 119.6 | 173.2 | -172.9 | -170.4 | 172.6 | -154 | 0 | 109.9 | P203 E204 | P203-K212 WeakPolarHBondContact CA-O 3.32Å; P203-K212 WeakPolarHBondContact CB-O 3.49Å; E204-K212 PolarHBondContact O-N 3.14Å; E204-K212 VanDerWaalsContact O-N 3.14Å |
| 213 | Y | 88 | Confident | 86.2 | Confident | 159 Ų | 159 | 100 Ų | 100 | 62% | 0.624 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -93.1 | 145.7 | 172.7 | -62.8 | -100.1 | 0 | 0 | 0 | 109.6 | P203 K211 | P203-Y213 HydrophobicContact CB-CD1 4.3Å; P203-Y213 HydrophobicContact CB-CE1 4.23Å; P203-Y213 HydrophobicContact CG-CD1 3.48Å; P203-Y213 VanDerWaalsContact CG-CD1 3.48Å; P203-Y213 HydrophobicContact CG-CE1 3.43Å; P203-Y213 VanDerWaalsContact CG-CE1 3.43Å; P203-Y213 HydrophobicContact CG-CG 4.12Å; K211-Y213 HydrophobicContact CB-CD2 4.43Å; K211-Y213 HydrophobicContact CB-CE2 3.7Å |
| 214 | Q | 89 | Confident | 86.6 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | trans | -148.8 | 146.3 | -179.9 | -174.6 | 165.2 | -40.7 | 0 | 0 | 109.7 | P201 N216 | P201-Q214 WeakPolarHBondContact CD-O 3.49Å; Q214-N216 PolarHBondContact NE2-OD1 3.22Å | ||
| 215 | I | 93.3 | Very high | 87.2 | Confident | 104 Ų | 104 | 97.1 Ų | 97.1 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | trans | -126 | 123.1 | 172.5 | -55.1 | 177.4 | 0 | 0 | 0 | 106.6 | L198 V200 L217 | L198-I215 HydrophobicContact CD2-CG2 4.39Å; L198-I215 HydrophobicContact CG-CG2 4.21Å; V200-I215 HydrophobicContact CG2-CG1 4.33Å; V200-I215 HydrophobicContact CG2-CG2 4.49Å; I215-L217 HydrophobicContact CG2-CD2 4.22Å; I215-L217 HydrophobicContact CG2-CG 4.35Å | ||
| 216 | N | 93.1 | Very high | 88 | Confident | 54 Ų | 54 | 94.4 Ų | 94.4 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.6 | 175.5 | -65.1 | -23.4 | 0 | 0 | 0 | 108.6 | L198 E199 Q214 | L198-N216 WeakPolarHBondContact CA-O 3.23Å; E199-N216 HydrophobicContact CB-CB 4.19Å; E199-N216 PolarHBondContact N-O 3.27Å; E199-N216 PolarHBondContact O-N 3.04Å; E199-N216 PolarHBondContact OE2-ND2 3.24Å; Q214-N216 PolarHBondContact NE2-OD1 3.22Å |
| 217 | L | 94.9 | Very high | 88.8 | Confident | 60 Ų | 60 | 97.4 Ų | 97.4 | 31% | 0.314 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.4 | 177.9 | -62.7 | 174.3 | 0 | 0 | 0 | 109.3 | I190 Q197 L198 I215 I224 | I190-L217 HydrophobicContact CD1-CD1 4.01Å; I190-L217 HydrophobicContact CG1-CD1 4.34Å; I190-L217 HydrophobicContact CG2-CD1 3.93Å; Q197-L217 WeakPolarHBondContact O-CA 3.4Å; L198-L217 HydrophobicContact CB-CD2 3.94Å; L198-L217 HydrophobicContact CD1-CD2 3.79Å; L198-L217 HydrophobicContact CG-CD2 3.67Å; I215-L217 HydrophobicContact CG2-CD2 4.22Å; I215-L217 HydrophobicContact CG2-CG 4.35Å; L217-I224 HydrophobicContact CB-CD1 3.82Å; L217-I224 HydrophobicContact CD1-CG2 4.38Å |
| 218 | K | 94.9 | Very high | 89.7 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 105.5 | -176.7 | -173.2 | -174.5 | -179.8 | -163.7 | 0 | 111.6 | Q197 H220 | Q197-K218 HydrophobicContact CB-CB 4.36Å; Q197-K218 PolarHBondContact N-O 3.24Å; Q197-K218 PolarHBondContact O-N 3.43Å; K218-H220 VanDerWaalsContact CE-NE2 3.27Å; K218-H220 WeakPolarHBondContact CE-NE2 3.39Å; K218-H220 PolarHBondContact NZ-NE2 2.89Å |
| 219 | S | 95.1 | Very high | 90.4 | Very high | 28 Ų | 28 | 87.6 Ų | 87.6 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | trans | -94.8 | 150.5 | 171.3 | -175.4 | 0 | 0 | 0 | 0 | 111 | T196 S221 G222 | T196-S219 WeakPolarHBondContact OG1-CB 3.32Å; T196-S219 PolarHBondContact OG1-OG 2.7Å; S219-S221 PolarHBondContact OG-N 2.91Å; S219-G222 VanDerWaalsContact CB-O 3.24Å; S219-G222 WeakPolarHBondContact CB-O 3.23Å; S219-G222 PolarHBondContact OG-N 2.89Å; S219-G222 PolarHBondContact OG-O 2.84Å | ||
| 220 | H | 93.6 | Very high | 90.4 | Very high | 126 Ų | 126 | 88.5 Ų | 88.5 | 58% | 0.583 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -118.9 | -5.8 | 173 | -56.9 | 84.2 | 0 | 0 | 0 | 112.1 | K218 | K218-H220 VanDerWaalsContact CE-NE2 3.27Å; K218-H220 WeakPolarHBondContact CE-NE2 3.39Å; K218-H220 PolarHBondContact NZ-NE2 2.89Å |
| 221 | S | 92.9 | Very high | 89.5 | Confident | 81 Ų | 81 | 88.4 Ų | 88.4 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -117.9 | -8.4 | -169.7 | 43.9 | 0 | 0 | 0 | 0 | 114 | P193 S194 S219 | P193-S221 VanDerWaalsContact CB-OG 3.31Å; P193-S221 WeakPolarHBondContact CB-OG 3.35Å; S194-S221 PolarHBondContact O-OG 3.05Å; S219-S221 PolarHBondContact OG-N 2.91Å |
| 222 | G | 92.9 | Very high | 88.1 | Confident | 32 Ų | 32 | 86.8 Ų | 86.8 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 173.2 | 179.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | S219 | S219-G222 VanDerWaalsContact CB-O 3.24Å; S219-G222 WeakPolarHBondContact CB-O 3.23Å; S219-G222 PolarHBondContact OG-N 2.89Å; S219-G222 PolarHBondContact OG-O 2.84Å |
| 223 | P | 95.8 | Very high | 86.8 | Confident | 93 Ų | 93 | 86 Ų | 86 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | trans | -66.1 | 159.3 | 175.7 | 30.5 | -36 | 0 | 0 | 0 | 111.8 | P193 | P193-P223 WeakPolarHBondContact CD-O 3.38Š| ||
| 224 | I | 95.9 | Very high | 85 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | trans | -110.7 | 129.6 | 172.1 | -57.6 | 178.8 | 0 | 0 | 0 | 107.8 | I190 A192 T196 L217 V226 | I190-I224 HydrophobicContact CG2-CG2 4.07Å; A192-I224 HydrophobicContact CB-CG1 4.16Å; A192-I224 HydrophobicContact CB-CG2 4.08Å; T196-I224 HydrophobicContact CG2-CD1 3.64Å; T196-I224 HydrophobicContact CG2-CG1 4.37Å; L217-I224 HydrophobicContact CB-CD1 3.82Å; L217-I224 HydrophobicContact CD1-CG2 4.38Å; I224-V226 HydrophobicContact CG2-CG2 4.16Å | ||
| 225 | H | 93.9 | Very high | 83.2 | Confident | 100 Ų | 100 | 83.4 Ų | 83.4 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.8 | 176.6 | -60.6 | -84.9 | 0 | 0 | 0 | 109.2 | Q191 | Q191-H225 HydrophobicContact CB-CB 4.32Å; Q191-H225 PolarHBondContact N-O 3.02Å; Q191-H225 PolarHBondContact O-N 3.5Å |
| 226 | V | 94.1 | Very high | 80.6 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124.9 | 177.8 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | L188 A189 I190 I224 | L188-V226 HydrophobicContact CB-CG1 4.38Å; L188-V226 HydrophobicContact CD2-CG1 4.37Å; A189-V226 CarbonylContact O-C 3.59Å; A189-V226 VanDerWaalsContact O-CA 3.31Å; A189-V226 WeakPolarHBondContact O-CA 3.06Å; I190-V226 HydrophobicContact CG1-CG1 4.3Å; I190-V226 HydrophobicContact CG1-CG2 4.3Å; I224-V226 HydrophobicContact CG2-CG2 4.16Å |
| 227 | L | 90.7 | Very high | 77.8 | Confident | 97 Ų | 97 | 89.8 Ų | 89.8 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.9 | 179.1 | -56.3 | 98.2 | 0 | 0 | 0 | 110.2 | L188 A189 I229 | L188-L227 CarbonylContact C-O 3.53Å; L188-L227 WeakPolarHBondContact CA-O 3.46Å; A189-L227 HydrophobicContact CB-CB 4.39Å; A189-L227 HydrophobicContact CB-CD1 4.43Å; A189-L227 PolarHBondContact N-O 3.09Å; A189-L227 PolarHBondContact O-N 2.94Å; L227-I229 PolarHBondContact O-N 3.38Å |
| 228 | L | 90.6 | Very high | 75.3 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 45% | 0.445 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 111.4 | 166 | 176.5 | 66.1 | 0 | 0 | 0 | 108.4 | T186 L188 K231 | T186-L228 HydrophobicContact CG2-CD1 3.84Å; L188-L228 HydrophobicContact CD2-CB 4.21Å; L188-L228 HydrophobicContact CD2-CD1 3.91Å; L228-K231 HydrophobicContact CD2-CB 3.92Å; L228-K231 HydrophobicContact CD2-CG 4.02Å; L228-K231 HydrophobicContact CG-CB 4.12Å |
| 229 | I | 87 | Confident | 73 | Confident | 39 Ų | 39 | 91.9 Ų | 91.9 | 20% | 0.2 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -79 | -62.8 | -178.2 | -48.1 | 178.9 | 0 | 0 | 0 | 109.2 | I178 L187 A189 L227 K231 | I178-I229 HydrophobicContact CB-CD1 4.48Å; I178-I229 HydrophobicContact CG2-CD1 3.66Å; L187-I229 HydrophobicContact CB-CB 3.97Å; L187-I229 HydrophobicContact CB-CD1 4.17Å; L187-I229 HydrophobicContact CB-CG1 4.3Å; L187-I229 PolarHBondContact O-N 2.87Å; A189-I229 HydrophobicContact CB-CD1 4.03Å; A189-I229 HydrophobicContact CB-CG1 4.22Å; L227-I229 PolarHBondContact O-N 3.38Å; I229-K231 PolarHBondContact O-N 2.82Å |
| 230 | N | 77.2 | Confident | 70.7 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 31% | 0.305 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -80.8 | 66.7 | -179 | -166.8 | 6.6 | 0 | 0 | 0 | 111 | D185 L187 E232 | D185-N230 PolarHBondContact O-ND2 3.11Å; L187-N230 HydrophobicContact CB-CB 4.38Å; L187-N230 HydrophobicContact CD1-CB 4.39Å; N230-E232 PolarHBondContact O-N 2.97Å |
| 231 | K | 60.5 | Low | 68.2 | Low | 133 Ų | 133 | 98.4 Ų | 98.4 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | trans | -80.9 | 99.3 | 172.8 | -174.8 | -172.7 | 174.2 | -169.2 | 0 | 108.8 | L228 I229 S233 | L228-K231 HydrophobicContact CD2-CB 3.92Å; L228-K231 HydrophobicContact CD2-CG 4.02Å; L228-K231 HydrophobicContact CG-CB 4.12Å; I229-K231 PolarHBondContact O-N 2.82Å; K231-S233 PolarHBondContact O-N 2.91Å | ||
| 232 | E | 52.9 | Low | 65.9 | Low | 97 Ų | 97 | 99.2 Ų | 99.2 | 45% | 0.453 | 57% | 0.567 | S | S | . | * | trans | -37.9 | 127.2 | -176.8 | -175.6 | -91.5 | 113.6 | 0 | 0 | 113.9 | N230 S234 S235 | N230-E232 PolarHBondContact O-N 2.97Å; E232-S234 PolarHBondContact O-N 3.42Å; E232-S234 VanDerWaalsContact OE1-CA 3.25Å; E232-S234 WeakPolarHBondContact OE1-CA 3.37Å; E232-S234 WeakPolarHBondContact OE1-CB 3.49Å; E232-S234 PolarHBondContact OE1-N 3.24Å; E232-S234 PolarHBondContact OE1-OG 2.87Å; E232-S235 PolarHBondContact OE1-N 2.83Å; E232-S235 WeakPolarHBondContact OE2-CA 3.46Å; E232-S235 WeakPolarHBondContact OE2-CB 3.5Å; E232-S235 PolarHBondContact OE2-N 3.43Å; E232-S235 VanDerWaalsContact OE2-N 3.14Å | ||
| 233 | S | 57.4 | Low | 63.6 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 88% | 0.881 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 3.6 | -158.6 | -47.1 | 0 | 0 | 0 | 0 | 116.3 | K231 | K231-S233 PolarHBondContact O-N 2.91Š|
| 234 | S | 50.3 | Low | 60.9 | Low | 112 Ų | 112 | 104.9 Ų | 104.9 | 78% | 0.783 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.2 | -7.6 | -171.7 | 67.4 | 0 | 0 | 0 | 0 | 118.1 | E232 | E232-S234 PolarHBondContact O-N 3.42Å; E232-S234 VanDerWaalsContact OE1-CA 3.25Å; E232-S234 WeakPolarHBondContact OE1-CA 3.37Å; E232-S234 WeakPolarHBondContact OE1-CB 3.49Å; E232-S234 PolarHBondContact OE1-N 3.24Å; E232-S234 PolarHBondContact OE1-OG 2.87Å |
| 235 | S | 49.7 | Very low | 58.4 | Low | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 61% | 0.612 | S | S | . | * | trans | -131.1 | 146.3 | -176.2 | -153.2 | 0 | 0 | 0 | 0 | 118.4 | E232 | E232-S235 PolarHBondContact OE1-N 2.83Å; E232-S235 WeakPolarHBondContact OE2-CA 3.46Å; E232-S235 WeakPolarHBondContact OE2-CB 3.5Å; E232-S235 PolarHBondContact OE2-N 3.43Å; E232-S235 VanDerWaalsContact OE2-N 3.14Å | ||
| 236 | S | 38.8 | Very low | 56.2 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | trans | 65.7 | 137 | 170.7 | 77.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 237 | K | 35.7 | Very low | 54 | Low | 187 Ų | 187 | 112.7 Ų | 112.7 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | trans | -83.1 | 147.2 | 170.2 | -67 | 176 | -179.2 | 175.6 | 0 | 109.1 | V239 | K237-V239 PolarHBondContact O-N 3.13Š| ||
| 238 | P | 40.7 | Very low | 51.8 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | trans | -63.6 | 120.3 | 178.4 | 26.8 | -34.2 | 0 | 0 | 0 | 110.8 | V240 | P238-V240 PolarHBondContact O-N 3.45Š| ||
| 239 | V | 46.6 | Very low | 49.4 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | trans | -87.7 | 104.1 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | K237 F241 | K237-V239 PolarHBondContact O-N 3.13Å; V239-F241 HydrophobicContact CG1-CD2 3.78Å; V239-F241 HydrophobicContact CG1-CE2 3.64Å; V239-F241 PolarHBondContact O-N 2.99Å | ||
| 240 | V | 47 | Very low | 46.8 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -79.3 | 111.9 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | P238 P242 | P238-V240 PolarHBondContact O-N 3.45Å; V240-P242 WeakPolarHBondContact O-CD 3.42Å | ||
| 241 | F | 41.8 | Very low | 44.6 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 116.9 | 165.1 | -90.4 | -82.9 | 0 | 0 | 0 | 109.7 | V239 | V239-F241 HydrophobicContact CG1-CD2 3.78Å; V239-F241 HydrophobicContact CG1-CE2 3.64Å; V239-F241 PolarHBondContact O-N 2.99Å |
| 242 | P | 45.1 | Very low | 43.4 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 134.4 | 159.5 | -15.4 | 30.6 | 0 | 0 | 0 | 109.3 | V240 P244 | V240-P242 WeakPolarHBondContact O-CD 3.42Å; P242-P244 CarbonylContact O-C 3.58Å |
| 243 | V | 43.2 | Very low | 42.3 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -102.6 | 127.1 | 165.1 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | ||
| 244 | P | 39.7 | Very low | 40.9 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | S | Bend | cis | -84.9 | 156.8 | 7.1 | -6.5 | 26 | 0 | 0 | 0 | 114.4 | P242 | P242-P244 CarbonylContact O-C 3.58Š|
| 245 | P | 43.9 | Very low | 40 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 152.8 | 170.6 | 32.7 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 246 | P | 47.8 | Very low | 38.8 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 145.9 | 170.9 | -11.9 | 28.9 | 0 | 0 | 0 | 113.4 | D248 | P246-D248 PolarHBondContact O-N 2.93Å; P246-D248 VanDerWaalsContact O-N 3.1Å |
| 247 | D | 46.8 | Very low | 38.2 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -79.8 | 74.8 | 175.9 | -67.3 | -60.8 | 0 | 0 | 0 | 113.3 | ||
| 248 | D | 45.7 | Very low | 37.6 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | -154.3 | 93.5 | 157.2 | -159.8 | -2.8 | 0 | 0 | 0 | 114.2 | P246 | P246-D248 PolarHBondContact O-N 2.93Å; P246-D248 VanDerWaalsContact O-N 3.1Å | ||
| 249 | L | 38.8 | Very low | 37.6 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -145.9 | 55.4 | 164.9 | -82 | -174.3 | 0 | 0 | 0 | 111.4 | ||||
| 250 | T | 33.1 | Very low | 36.6 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -122.6 | 53.7 | 174.1 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 251 | Q | 31.7 | Very low | 35.5 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | -160.4 | 146.1 | 152.4 | -118.5 | 159.9 | 84 | 0 | 0 | 114.4 | ||||
| 252 | P | 34.3 | Very low | 35.2 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -104.4 | 146.9 | -179.2 | 37.3 | -32.5 | 0 | 0 | 0 | 115.4 | ||||
| 253 | S | 29.7 | Very low | 34.3 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 72.2 | 120.8 | 152.8 | -161.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 254 | S | 28.1 | Very low | 33.4 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | -167.8 | 155.7 | 123.8 | -84.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 255 | Q | 31.2 | Very low | 32.6 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 164 | -172 | -58 | 162 | 6 | 0 | 0 | 112.6 | ||||
| 256 | S | 24.8 | Very low | 31.6 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | 176 | 153 | 60.5 | 57.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 257 | L | 26.4 | Very low | 30.6 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 67.6 | 162.8 | 145.1 | -66.2 | 170.2 | 0 | 0 | 0 | 123.2 | ||||
| 258 | T | 24.1 | Very low | 29.6 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -129.1 | -166.1 | -167 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 259 | P | 39.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | cis | -129.9 | 162.7 | -42.7 | 31.2 | -14.5 | 0 | 0 | 0 | 114.1 | ||||
| 260 | V | 26.1 | Very low | 27.9 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | trans | -148.1 | 137.7 | 159.6 | -171.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 261 | T | 25.2 | Very low | 27.5 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -147.1 | 140.3 | 165.9 | -42.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 262 | P | 35.3 | Very low | 27.1 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | -162.7 | -162.6 | 77.9 | 39.1 | -13 | 0 | 0 | 0 | 118 | |||||
| 263 | Q | 25.2 | Very low | 27.1 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | 81.4 | 134.4 | 168.5 | -52.1 | -174.4 | -50.9 | 0 | 0 | 117.1 | ||||
| 264 | K | 24.4 | Very low | 26.9 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | cis | 102.2 | 102.9 | 4.4 | -163.5 | -172.7 | 175.3 | -178.4 | 0 | 118.5 | ||||
| 265 | S | 23.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -157.7 | 145 | 153.7 | 49.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 266 | S | 22.5 | Very low | 26.5 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | 76.6 | 129.8 | 23.4 | -128.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 267 | M | 26.2 | Very low | 26.5 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | cis | -166.6 | 158.3 | 6.2 | -148.5 | 176.2 | 82 | 0 | 0 | 111.4 | ||||
| 268 | A | 26 | Very low | 26.4 | Very low | 76 Ų | 76 | 138 Ų | 138 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | trans | 65.7 | 164.6 | 152 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 269 | T | 25.5 | Very low | 26.4 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | cis | -168.1 | 169.2 | -4.2 | 6.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 270 | E | 24.3 | Very low | 25.8 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | cis | -164.4 | 172.7 | -10.2 | -147.9 | 170.4 | 112 | 0 | 0 | 110.5 | ||||
| 271 | N | 24.1 | Very low | 25.8 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 81 | 160 | 150.4 | -81.1 | -51.7 | 0 | 0 | 0 | 125.2 | ||||
| 272 | L | 22.8 | Very low | 26 | Very low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -114.3 | -170.8 | -165.3 | -114.8 | 75.4 | 0 | 0 | 0 | 111 | ||||
| 273 | P | 35.6 | Very low | 25.5 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | cis | -139 | 170.9 | 17.2 | 41.6 | -21.8 | 0 | 0 | 0 | 119.1 | ||||
| 274 | E | 24.6 | Very low | 25.5 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 35.7 | 128.8 | 144.8 | -64.2 | 178.4 | 109.6 | 0 | 0 | 123.4 | ||||
| 275 | Q | 25.9 | Very low | 25.7 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 95% | 0.949 | 78% | 0.784 | S | S | * | * | -155.3 | 165.2 | 108.3 | -112.7 | -179.2 | 14.4 | 0 | 0 | 112.6 | |||||
| 276 | H | 25.4 | Very low | 25.8 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -140.2 | 119.2 | -159 | 177.7 | -72.6 | 0 | 0 | 0 | 112.2 | ||||
| 277 | V | 24.1 | Very low | 26 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -136.6 | 143.9 | 169.6 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 278 | S | 24.3 | Very low | 26 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -142.8 | 122 | -173.3 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 279 | E | 25.2 | Very low | 26.1 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -132.1 | 93 | 171.4 | -72.1 | -152.1 | 110.7 | 0 | 0 | 112.9 | ||||
| 280 | R | 25.6 | Very low | 26.4 | Very low | 225 Ų | 225 | 150.3 Ų | 150.3 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | -12.8 | 119.4 | 147.7 | -176.2 | -165.5 | -150.7 | -172.6 | 6.9 | 117.8 | ||||
| 281 | S | 25.8 | Very low | 26.7 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -142.8 | 99.7 | 147.6 | -80.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 282 | Q | 29.8 | Very low | 27.2 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | 68.6 | 98.9 | 98.7 | -70.3 | -157.6 | 24.1 | 0 | 0 | 114.4 | |||||
| 283 | T | 24.2 | Very low | 27.6 | Very low | 132 Ų | 132 | 151.2 Ų | 151.2 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 133.6 | 172.9 | -46.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 284 | L | 27 | Very low | 27.3 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -124.1 | 155.2 | 155.4 | -101 | 165.3 | 0 | 0 | 0 | 109.5 | ||||
| 285 | Q | 27.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -97 | 140.6 | -149.6 | -71.2 | 174.3 | -13.8 | 0 | 0 | 114.5 | T287 | Q285-T287 PolarHBondContact O-N 3.39Š|
| 286 | Q | 25.9 | Very low | 28.6 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 118.7 | 168.5 | 176.5 | 178.5 | 43.4 | 0 | 0 | 110.6 | ||
| 287 | T | 26.8 | Very low | 29.5 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 122.2 | 164.5 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | Q285 | Q285-T287 PolarHBondContact O-N 3.39Š|
| 288 | S | 25.1 | Very low | 30.5 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 132.3 | -176.1 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | T290 | S288-T290 PolarHBondContact O-N 3.42Š|
| 289 | A | 29 | Very low | 31.8 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 290 | T | 30.9 | Very low | 32.7 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 134.7 | 179.3 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | S288 | S288-T290 PolarHBondContact O-N 3.42Š|
| 291 | E | 32.3 | Very low | 33.8 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 134.4 | 174.1 | -58.1 | 179.9 | 129.6 | 0 | 0 | 111.6 | ||
| 292 | I | 34.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -131 | 77 | 163.4 | -43.9 | -179.1 | 0 | 0 | 0 | 109.3 | S294 | I292-S294 PolarHBondContact O-N 3.03Š| ||
| 293 | S | 29.8 | Very low | 36.7 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -87.2 | 101.5 | 172.1 | -71.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 294 | S | 30.1 | Very low | 38.1 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -154.7 | 133 | 160.5 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | I292 | I292-S294 PolarHBondContact O-N 3.03Š| ||
| 295 | A | 40.5 | Very low | 39.3 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -99 | 126.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 296 | G | 36.7 | Very low | 40.5 | Very low | 58 Ų | 58 | 117 Ų | 117 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 169.9 | 115.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I298 | G296-I298 WeakPolarHBondContact O-CG1 3.13Š|
| 297 | S | 44.7 | Very low | 41.7 | Very low | 135 Ų | 135 | 115.8 Ų | 115.8 | 94% | 0.944 | 71% | 0.707 | S | S | * | * | trans | 26.3 | 88.7 | 166.5 | -60.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 298 | I | 45.9 | Very low | 43 | Very low | 120 Ų | 120 | 114 Ų | 114 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | trans | -124 | 86.5 | 175 | -46 | 177 | 0 | 0 | 0 | 109.3 | G296 I302 | G296-I298 WeakPolarHBondContact O-CG1 3.13Å; I298-I302 HydrophobicContact CG2-CD1 3.41Å; I298-I302 VanDerWaalsContact CG2-CD1 3.41Å; I298-I302 HydrophobicContact CG2-CG1 4.25Å | ||
| 299 | S | 50.1 | Low | 43.9 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -157.5 | 6.9 | -179.5 | -61.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 300 | G | 45.3 | Very low | 44.7 | Very low | 39 Ų | 39 | 115.3 Ų | 115.3 | 40% | 0.402 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -120.7 | -84.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I302 I303 | G300-I302 VanDerWaalsContact C-N 3.29Å; G300-I302 PolarHBondContact O-N 2.98Å; G300-I303 WeakPolarHBondContact O-CB 3.36Å; G300-I303 PolarHBondContact O-N 2.95Å |
| 301 | D | 48.8 | Very low | 45.6 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -48.4 | -39.9 | -166 | -42.7 | -24.7 | 0 | 0 | 0 | 115.1 | I303 D304 E305 | D301-I303 VanDerWaalsContact C-N 3.26Å; D301-I303 PolarHBondContact O-N 3.19Å; D301-D304 PolarHBondContact O-N 3.01Å; D301-E305 WeakPolarHBondContact O-CB 3.18Å; D301-E305 PolarHBondContact O-N 3.28Å |
| 302 | I | 57.1 | Low | 46.5 | Very low | 90 Ų | 90 | 110.6 Ų | 110.6 | 46% | 0.462 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -61.7 | -31.5 | 178.6 | -61.4 | -171.5 | 0 | 0 | 0 | 112.5 | I298 G300 L306 | I298-I302 HydrophobicContact CG2-CD1 3.41Å; I298-I302 VanDerWaalsContact CG2-CD1 3.41Å; I298-I302 HydrophobicContact CG2-CG1 4.25Å; G300-I302 VanDerWaalsContact C-N 3.29Å; G300-I302 PolarHBondContact O-N 2.98Å; I302-L306 HydrophobicContact CG2-CD1 3.96Å; I302-L306 WeakPolarHBondContact O-CB 3.34Å; I302-L306 WeakPolarHBondContact O-CD1 3.48Å; I302-L306 PolarHBondContact O-N 3.41Å |
| 303 | I | 58.4 | Low | 47.3 | Very low | 106 Ų | 106 | 106.4 Ų | 106.4 | 54% | 0.544 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -73.1 | -44.9 | 179.6 | -57.9 | 177 | 0 | 0 | 0 | 109.8 | G300 D301 E305 L306 M307 | G300-I303 WeakPolarHBondContact O-CB 3.36Å; G300-I303 PolarHBondContact O-N 2.95Å; D301-I303 VanDerWaalsContact C-N 3.26Å; D301-I303 PolarHBondContact O-N 3.19Å; I303-E305 VanDerWaalsContact C-N 3.3Å; I303-E305 PolarHBondContact O-N 3.36Å; I303-L306 PolarHBondContact O-N 2.95Å; I303-M307 WeakPolarHBondContact O-CB 3.19Å; I303-M307 WeakPolarHBondContact O-CG 3.39Å; I303-M307 PolarHBondContact O-N 3.47Å |
| 304 | D | 54 | Low | 48.3 | Very low | 115 Ų | 115 | 106.2 Ų | 106.2 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.7 | -33 | 175.7 | -75.2 | -20.6 | 0 | 0 | 0 | 111.4 | D301 M307 S308 | D301-D304 PolarHBondContact O-N 3.01Å; D304-M307 PolarHBondContact O-N 3.08Å; D304-S308 VanDerWaalsContact O-CB 3.25Å; D304-S308 WeakPolarHBondContact O-CB 3.08Å; D304-S308 PolarHBondContact O-N 2.87Å; D304-S308 PolarHBondContact O-OG 3.12Å |
| 305 | E | 53.1 | Low | 49.3 | Very low | 137 Ų | 137 | 106.4 Ų | 106.4 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -47.1 | 173.9 | -168.8 | 168.7 | -161.1 | 0 | 0 | 111.9 | D301 I303 M307 S308 S309 | D301-E305 WeakPolarHBondContact O-CB 3.18Å; D301-E305 PolarHBondContact O-N 3.28Å; I303-E305 VanDerWaalsContact C-N 3.3Å; I303-E305 PolarHBondContact O-N 3.36Å; E305-M307 VanDerWaalsContact C-N 3.26Å; E305-M307 PolarHBondContact O-N 3.22Å; E305-S308 PolarHBondContact O-N 3.43Å; E305-S309 PolarHBondContact O-N 3.41Å |
| 306 | L | 52.3 | Low | 50 | Low | 80 Ų | 80 | 104.4 Ų | 104.4 | 42% | 0.419 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62 | -30.2 | 173.7 | -102.7 | 66.4 | 0 | 0 | 0 | 113.5 | I302 I303 S308 S309 P313 | I302-L306 HydrophobicContact CG2-CD1 3.96Å; I302-L306 WeakPolarHBondContact O-CB 3.34Å; I302-L306 WeakPolarHBondContact O-CD1 3.48Å; I302-L306 PolarHBondContact O-N 3.41Å; I303-L306 PolarHBondContact O-N 2.95Å; L306-S308 VanDerWaalsContact C-N 3.34Å; L306-S309 PolarHBondContact O-OG 3.27Å; L306-P313 HydrophobicContact CB-CG 4.49Å; L306-P313 HydrophobicContact CD2-CB 3.71Å; L306-P313 HydrophobicContact CD2-CG 3.89Å; L306-P313 HydrophobicContact CG-CB 3.9Å; L306-P313 HydrophobicContact CG-CG 4.07Å |
| 307 | M | 51.4 | Low | 50.9 | Low | 157 Ų | 157 | 107.3 Ų | 107.3 | 77% | 0.773 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -6.2 | 176.2 | -65.4 | -68 | -65.8 | 0 | 0 | 113 | I303 D304 E305 | I303-M307 WeakPolarHBondContact O-CB 3.19Å; I303-M307 WeakPolarHBondContact O-CG 3.39Å; I303-M307 PolarHBondContact O-N 3.47Å; D304-M307 PolarHBondContact O-N 3.08Å; E305-M307 VanDerWaalsContact C-N 3.26Å; E305-M307 PolarHBondContact O-N 3.22Å |
| 308 | S | 53.2 | Low | 51.1 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -9 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | D304 E305 L306 | D304-S308 VanDerWaalsContact O-CB 3.25Å; D304-S308 WeakPolarHBondContact O-CB 3.08Å; D304-S308 PolarHBondContact O-N 2.87Å; D304-S308 PolarHBondContact O-OG 3.12Å; E305-S308 PolarHBondContact O-N 3.43Å; L306-S308 VanDerWaalsContact C-N 3.34Å |
| 309 | S | 44.2 | Very low | 51.3 | Low | 57 Ų | 57 | 98.8 Ų | 98.8 | 40% | 0.399 | 55% | 0.548 | S | S | . | . | trans | -87.7 | 126.3 | 174 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | E305 L306 V311 | E305-S309 PolarHBondContact O-N 3.41Å; L306-S309 PolarHBondContact O-OG 3.27Å; S309-V311 PolarHBondContact O-N 3.31Å; S309-V311 PolarHBondContact OG-O 2.98Å | ||
| 310 | D | 46.5 | Very low | 51.4 | Low | 173 Ų | 173 | 95.4 Ų | 95.4 | 93% | 0.925 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -63.2 | -4.3 | 173.2 | -64.3 | -58.3 | 0 | 0 | 0 | 114 | ||
| 311 | V | 49.6 | Very low | 51.7 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -98.6 | 117.8 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | S309 | S309-V311 PolarHBondContact O-N 3.31Å; S309-V311 PolarHBondContact OG-O 2.98Å |
| 312 | F | 50.7 | Low | 51.9 | Low | 131 Ų | 131 | 96.4 Ų | 96.4 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | trans | -63.5 | 128.7 | 179.3 | -111.5 | -97.1 | 0 | 0 | 0 | 111.7 | L314 | F312-L314 PolarHBondContact O-N 2.93Å; F312-L314 VanDerWaalsContact O-N 3.08Å | ||
| 313 | P | 50.2 | Low | 51.5 | Low | 75 Ų | 75 | 97 Ų | 97 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -74.1 | 2.3 | -177.8 | 29.6 | -36 | 0 | 0 | 0 | 114.5 | L306 | L306-P313 HydrophobicContact CB-CG 4.49Å; L306-P313 HydrophobicContact CD2-CB 3.71Å; L306-P313 HydrophobicContact CD2-CG 3.89Å; L306-P313 HydrophobicContact CG-CB 3.9Å; L306-P313 HydrophobicContact CG-CG 4.07Å |
| 314 | L | 51.3 | Low | 51 | Low | 113 Ų | 113 | 99.7 Ų | 99.7 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -122.5 | 99.8 | -179.9 | -64.4 | 178.5 | 0 | 0 | 0 | 110 | L154 F312 R316 | L154-L314 HydrophobicContact CD1-CD1 4.46Å; L154-L314 HydrophobicContact CD2-CD1 4.29Å; F312-L314 PolarHBondContact O-N 2.93Å; F312-L314 VanDerWaalsContact O-N 3.08Å; L314-R316 PolarHBondContact O-N 3.22Å |
| 315 | L | 51.3 | Low | 51.1 | Low | 112 Ų | 112 | 99 Ų | 99 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | trans | -63.5 | 121.4 | -178.8 | -177.8 | 62.1 | 0 | 0 | 0 | 111.7 | L317 V341 | L315-L317 HydrophobicContact CD2-CD2 3.72Å; L315-L317 HydrophobicContact CD2-CG 4.41Å; L315-L317 HydrophobicContact CG-CD2 3.91Å; L315-L317 HydrophobicContact CG-CG 4.3Å; L315-L317 PolarHBondContact O-N 3.49Å; L315-V341 HydrophobicContact CD1-CG2 3.64Å | ||
| 316 | R | 54.8 | Low | 51 | Low | 61 Ų | 61 | 99.1 Ų | 99.1 | 23% | 0.23 | 55% | 0.55 | C | S | . | * | trans | -79.2 | 77.5 | -176.9 | -167.9 | -162.9 | -177.8 | 117.6 | 11.2 | 112 | W153 L314 S318 F339 | W153-R316 VanDerWaalsContact CD2-NH1 3.33Å; L314-R316 PolarHBondContact O-N 3.22Å; R316-S318 PolarHBondContact NE-O 3.33Å; R316-S318 VanDerWaalsContact NE-O 3.13Å; R316-S318 PolarHBondContact O-N 3.13Å; R316-F339 WeakPolarHBondContact O-CD1 3.32Å | ||
| 317 | L | 55.4 | Low | 51.2 | Low | 119 Ų | 119 | 101.2 Ų | 101.2 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | trans | -68.6 | 3.7 | 179.1 | -63.1 | 177.9 | 0 | 0 | 0 | 115.7 | L315 | L315-L317 HydrophobicContact CD2-CD2 3.72Å; L315-L317 HydrophobicContact CD2-CG 4.41Å; L315-L317 HydrophobicContact CG-CD2 3.91Å; L315-L317 HydrophobicContact CG-CG 4.3Å; L315-L317 PolarHBondContact O-N 3.49Å | ||
| 318 | S | 50.3 | Low | 51.3 | Low | 12 Ų | 12 | 100.4 Ų | 100.4 | 8% | 0.084 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -131.2 | 133.3 | -177.6 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | R316 | R316-S318 PolarHBondContact NE-O 3.33Å; R316-S318 VanDerWaalsContact NE-O 3.13Å; R316-S318 PolarHBondContact O-N 3.13Å |
| 319 | P | 50.3 | Low | 51.6 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 42% | 0.422 | 54% | 0.544 | S | S | . | . | trans | -39.5 | 149.7 | 176.4 | -38.6 | 39.4 | 0 | 0 | 0 | 117.9 | Y325 | P319-Y325 WeakPolarHBondContact CA-OH 3.36Å; P319-Y325 HydrophobicContact CB-CE2 3.64Å; P319-Y325 WeakPolarHBondContact CB-OH 3.39Å; P319-Y325 HydrophobicContact CG-CE1 4.31Å; P319-Y325 HydrophobicContact CG-CE2 4.14Å | ||
| 320 | T | 51.3 | Low | 52.4 | Low | 43 Ų | 43 | 101.9 Ų | 101.9 | 26% | 0.264 | 55% | 0.55 | S | S | . | * | trans | -69.1 | 127 | 159.8 | 34 | 0 | 0 | 0 | 0 | 109.9 | A322 | T320-A322 PolarHBondContact O-N 3.19Š| ||
| 321 | P | 51.9 | Low | 53.4 | Low | 117 Ų | 117 | 101.7 Ų | 101.7 | 76% | 0.76 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 17.2 | 176.2 | -19.7 | 33.8 | 0 | 0 | 0 | 115.2 | ||
| 322 | A | 52.6 | Low | 54.2 | Low | 83 Ų | 83 | 105 Ų | 105 | 69% | 0.686 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -29 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T320 | T320-A322 PolarHBondContact O-N 3.19Š|
| 323 | D | 48.3 | Very low | 54.8 | Low | 102 Ų | 102 | 103.7 Ų | 103.7 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -122.7 | 132.9 | -168.4 | -57.6 | -77.3 | 0 | 0 | 0 | 110.9 | Y325 | D323-Y325 WeakPolarHBondContact O-CD2 3.47Å; D323-Y325 PolarHBondContact O-N 2.98Å |
| 324 | D | 48.9 | Very low | 55.4 | Low | 163 Ų | 163 | 101.5 Ų | 101.5 | 87% | 0.872 | 55% | 0.551 | S | S | * | * | trans | -68.1 | 115.5 | 176.5 | -80.7 | -47.5 | 0 | 0 | 0 | 110.2 | N326 | D324-N326 PolarHBondContact O-N 3.33Š| ||
| 325 | Y | 54.9 | Low | 55.8 | Low | 102 Ų | 102 | 101.1 Ų | 101.1 | 40% | 0.4 | 55% | 0.553 | S | S | . | * | trans | -65.3 | 96.1 | -175.1 | -94.6 | -109.3 | 0 | 0 | 0 | 112.5 | P319 D323 F327 L338 | P319-Y325 WeakPolarHBondContact CA-OH 3.36Å; P319-Y325 HydrophobicContact CB-CE2 3.64Å; P319-Y325 WeakPolarHBondContact CB-OH 3.39Å; P319-Y325 HydrophobicContact CG-CE1 4.31Å; P319-Y325 HydrophobicContact CG-CE2 4.14Å; D323-Y325 WeakPolarHBondContact O-CD2 3.47Å; D323-Y325 PolarHBondContact O-N 2.98Å; Y325-F327 AromaticContact CD1-CD2 3.64Å; Y325-F327 HydrophobicContact CD1-CD2 3.64Å; Y325-F327 AromaticContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD2-CE2 4.16Å; Y325-F327 AromaticContact CE1-CD2 3.93Å; Y325-F327 HydrophobicContact CE1-CD2 3.93Å; Y325-F327 AromaticContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE2-CE2 4.15Å; Y325-F327 HydrophobicContact CG-CD2 4.1Å; Y325-F327 AromaticContact CG-CE2 3.92Å; Y325-F327 HydrophobicContact CG-CE2 3.92Å; Y325-F327 AromaticContact CZ-CE2 3.92Å; Y325-L338 HydrophobicContact CE1-CD1 4.13Å; Y325-L338 HydrophobicContact CE1-CG 4.44Å | ||
| 326 | N | 52.7 | Low | 56 | Low | 139 Ų | 139 | 98.4 Ų | 98.4 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | trans | -136.5 | 43.5 | 174.6 | -156.1 | 17.8 | 0 | 0 | 0 | 111.5 | D324 N328 | D324-N326 PolarHBondContact O-N 3.33Å; N326-N328 PolarHBondContact O-ND2 3.49Å | ||
| 327 | F | 55.7 | Low | 56.4 | Low | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.544 | 56% | 0.556 | S | S | . | * | trans | -70.3 | 128.9 | 179 | -65.5 | -89.6 | 0 | 0 | 0 | 111.1 | Y325 L338 | Y325-F327 AromaticContact CD1-CD2 3.64Å; Y325-F327 HydrophobicContact CD1-CD2 3.64Å; Y325-F327 AromaticContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD2-CE2 4.16Å; Y325-F327 AromaticContact CE1-CD2 3.93Å; Y325-F327 HydrophobicContact CE1-CD2 3.93Å; Y325-F327 AromaticContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE2-CE2 4.15Å; Y325-F327 HydrophobicContact CG-CD2 4.1Å; Y325-F327 AromaticContact CG-CE2 3.92Å; Y325-F327 HydrophobicContact CG-CE2 3.92Å; Y325-F327 AromaticContact CZ-CE2 3.92Å; F327-L338 HydrophobicContact CB-CD1 4.13Å; F327-L338 HydrophobicContact CD1-CD1 3.93Å; F327-L338 HydrophobicContact CD2-CD1 3.72Å; F327-L338 HydrophobicContact CE1-CD1 4.27Å; F327-L338 HydrophobicContact CE2-CD1 4.08Å; F327-L338 HydrophobicContact CG-CD1 3.64Å; F327-L338 HydrophobicContact CZ-CD1 4.34Å | ||
| 328 | N | 54 | Low | 56.6 | Low | 139 Ų | 139 | 96.8 Ų | 96.8 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | trans | -113.3 | 116.2 | 163 | -64.6 | -102.9 | 0 | 0 | 0 | 105 | N326 | N326-N328 PolarHBondContact O-ND2 3.49Š| ||
| 329 | L | 58.3 | Low | 57.1 | Low | 87 Ų | 87 | 99.1 Ų | 99.1 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | trans | -75.7 | 138 | 174.7 | -64.3 | 169.3 | 0 | 0 | 0 | 109 | E333 | L329-E333 WeakPolarHBondContact CA-OE2 3.18Å; L329-E333 HydrophobicContact CB-CB 4.18Å; L329-E333 HydrophobicContact CD2-CB 3.88Å | ||
| 330 | D | 61.3 | Low | 57.3 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | trans | -71.9 | 164.3 | 167.8 | -156.2 | -52.4 | 0 | 0 | 0 | 110.1 | N332 E333 | D330-N332 PolarHBondContact O-N 3.19Å; D330-N332 PolarHBondContact OD1-ND2 3Å; D330-E333 HydrophobicContact CB-CG 4.24Å; D330-E333 PolarHBondContact N-OE2 3.37Å; D330-E333 PolarHBondContact O-N 3.34Å | ||
| 331 | D | 67.7 | Low | 57.4 | Low | 168 Ų | 168 | 103.2 Ų | 103.2 | 90% | 0.898 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -3.6 | -179.7 | -79.8 | -30 | 0 | 0 | 0 | 113.7 | ||
| 332 | N | 65.9 | Low | 57.1 | Low | 149 Ų | 149 | 105.3 Ų | 105.3 | 80% | 0.797 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -3.4 | -176.9 | -56 | -89.8 | 0 | 0 | 0 | 113.4 | D330 | D330-N332 PolarHBondContact O-N 3.19Å; D330-N332 PolarHBondContact OD1-ND2 3Å |
| 333 | E | 63.1 | Low | 56.9 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | trans | -103.6 | 143.8 | -174.9 | -64.3 | 177.6 | 147.7 | 0 | 0 | 111.7 | L329 D330 | L329-E333 WeakPolarHBondContact CA-OE2 3.18Å; L329-E333 HydrophobicContact CB-CB 4.18Å; L329-E333 HydrophobicContact CD2-CB 3.88Å; D330-E333 HydrophobicContact CB-CG 4.24Å; D330-E333 PolarHBondContact N-OE2 3.37Å; D330-E333 PolarHBondContact O-N 3.34Å | ||
| 334 | G | 64.1 | Low | 56.6 | Low | 30 Ų | 30 | 106.7 Ų | 106.7 | 31% | 0.309 | 56% | 0.56 | S | S | . | * | trans | -110.3 | 169.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C336 D337 | G334-C336 PolarHBondContact O-N 3.44Å; G334-C336 VanDerWaalsContact O-N 3.11Å; G334-D337 WeakPolarHBondContact CA-OD2 3.39Å; G334-D337 PolarHBondContact N-OD2 3.47Å; G334-D337 PolarHBondContact O-N 3.35Å; G334-D337 VanDerWaalsContact O-N 3.15Å | ||
| 335 | V | 59.8 | Low | 56.1 | Low | 104 Ų | 104 | 106.1 Ų | 106.1 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -22.9 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | L338 F339 | V335-L338 WeakPolarHBondContact O-CB 3.44Å; V335-F339 HydrophobicContact CG1-CE2 4.16Å; V335-F339 VanDerWaalsContact O-CD2 3.24Å; V335-F339 WeakPolarHBondContact O-CD2 3.33Å |
| 336 | C | 55.9 | Low | 55.2 | Low | 55 Ų | 55 | 115 Ų | 115 | 37% | 0.372 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -30.7 | 179 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | G334 L338 F339 V341 I343 | G334-C336 PolarHBondContact O-N 3.44Å; G334-C336 VanDerWaalsContact O-N 3.11Å; C336-L338 PolarHBondContact O-N 3.02Å; C336-F339 PolarHBondContact O-N 2.79Å; C336-F339 VanDerWaalsContact O-N 3.17Å; C336-V341 HydrophobicContact CB-CB 4.24Å; C336-V341 PolarHBondContact O-N 3.11Å; C336-I343 HydrophobicContact CB-CD1 3.83Å |
| 337 | D | 62 | Low | 55.4 | Low | 94 Ų | 94 | 113.8 Ų | 113.8 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -69.6 | -21.3 | 179.7 | -54.7 | -65.8 | 0 | 0 | 0 | 111.6 | G334 F339 | G334-D337 WeakPolarHBondContact CA-OD2 3.39Å; G334-D337 PolarHBondContact N-OD2 3.47Å; G334-D337 PolarHBondContact O-N 3.35Å; G334-D337 VanDerWaalsContact O-N 3.15Å; D337-F339 PolarHBondContact O-N 2.73Å |
| 338 | L | 60.5 | Low | 55.3 | Low | 52 Ų | 52 | 113.2 Ų | 113.2 | 27% | 0.272 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -71.9 | -6.1 | 173.9 | -164.2 | 64.3 | 0 | 0 | 0 | 113.9 | Y325 F327 V335 C336 | Y325-L338 HydrophobicContact CE1-CD1 4.13Å; Y325-L338 HydrophobicContact CE1-CG 4.44Å; F327-L338 HydrophobicContact CB-CD1 4.13Å; F327-L338 HydrophobicContact CD1-CD1 3.93Å; F327-L338 HydrophobicContact CD2-CD1 3.72Å; F327-L338 HydrophobicContact CE1-CD1 4.27Å; F327-L338 HydrophobicContact CE2-CD1 4.08Å; F327-L338 HydrophobicContact CG-CD1 3.64Å; F327-L338 HydrophobicContact CZ-CD1 4.34Å; V335-L338 WeakPolarHBondContact O-CB 3.44Å; C336-L338 PolarHBondContact O-N 3.02Å |
| 339 | F | 59.3 | Low | 55.4 | Low | 61 Ų | 61 | 111.8 Ų | 111.8 | 27% | 0.268 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -130.6 | 22.4 | -175.7 | -60 | -80.1 | 0 | 0 | 0 | 113.5 | R316 V335 C336 D337 V341 | R316-F339 WeakPolarHBondContact O-CD1 3.32Å; V335-F339 HydrophobicContact CG1-CE2 4.16Å; V335-F339 VanDerWaalsContact O-CD2 3.24Å; V335-F339 WeakPolarHBondContact O-CD2 3.33Å; C336-F339 PolarHBondContact O-N 2.79Å; C336-F339 VanDerWaalsContact O-N 3.17Å; D337-F339 PolarHBondContact O-N 2.73Å; F339-V341 HydrophobicContact CB-CG2 3.97Å; F339-V341 PolarHBondContact O-N 3.01Å; F339-V341 VanDerWaalsContact O-N 3.16Å |
| 340 | D | 55.6 | Low | 55.3 | Low | 145 Ų | 145 | 113.2 Ų | 113.2 | 78% | 0.775 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.5 | 26.2 | -178.3 | -64.1 | -51.1 | 0 | 0 | 0 | 114.6 | Q342 | D340-Q342 PolarHBondContact O-N 3.37Å; D340-Q342 VanDerWaalsContact O-N 3.12Å |
| 341 | V | 52.1 | Low | 54.9 | Low | 50 Ų | 50 | 114 Ų | 114 | 30% | 0.303 | 59% | 0.588 | S | S | . | * | trans | -81.2 | 97.2 | -175.8 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | L315 C336 F339 I343 | L315-V341 HydrophobicContact CD1-CG2 3.64Å; C336-V341 HydrophobicContact CB-CB 4.24Å; C336-V341 PolarHBondContact O-N 3.11Å; F339-V341 HydrophobicContact CB-CG2 3.97Å; F339-V341 PolarHBondContact O-N 3.01Å; F339-V341 VanDerWaalsContact O-N 3.16Å; V341-I343 VanDerWaalsContact C-N 3.35Å; V341-I343 HydrophobicContact CG1-CG1 4Å; V341-I343 PolarHBondContact O-N 3.29Å | ||
| 342 | Q | 46.9 | Very low | 54 | Low | 160 Ų | 160 | 110.4 Ų | 110.4 | 75% | 0.748 | 57% | 0.567 | S | S | * | * | trans | -66.8 | 90.6 | 169.2 | -66.6 | -172.1 | 21.1 | 0 | 0 | 110.9 | D340 L344 | D340-Q342 PolarHBondContact O-N 3.37Å; D340-Q342 VanDerWaalsContact O-N 3.12Å; Q342-L344 PolarHBondContact O-N 3.27Å | ||
| 343 | I | 47.3 | Very low | 53.2 | Low | 100 Ų | 100 | 107.6 Ų | 107.6 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | trans | -71.5 | 97.1 | 170.9 | -58 | -179.1 | 0 | 0 | 0 | 108.5 | C336 V341 N345 | C336-I343 HydrophobicContact CB-CD1 3.83Å; V341-I343 VanDerWaalsContact C-N 3.35Å; V341-I343 HydrophobicContact CG1-CG1 4Å; V341-I343 PolarHBondContact O-N 3.29Å; I343-N345 VanDerWaalsContact C-N 3.34Å; I343-N345 PolarHBondContact O-N 2.96Å | ||
| 344 | L | 42.3 | Very low | 52.4 | Low | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | trans | -66.3 | 93.2 | 166.7 | -71.5 | 172.6 | 0 | 0 | 0 | 109.4 | Q342 Y346 | Q342-L344 PolarHBondContact O-N 3.27Å; L344-Y346 PolarHBondContact O-N 3.2Å | ||
| 345 | N | 38.6 | Very low | 51.4 | Low | 152 Ų | 152 | 114.5 Ų | 114.5 | 81% | 0.813 | 58% | 0.577 | S | S | * | * | trans | -64.4 | 112.5 | 168.9 | -73.3 | -46.7 | 0 | 0 | 0 | 109.6 | I343 | I343-N345 VanDerWaalsContact C-N 3.34Å; I343-N345 PolarHBondContact O-N 2.96Å | ||
| 346 | Y | 37 | Very low | 50.7 | Low | 287 Ų | 287 | 115.5 Ų | 115.5 | 100% | 1.125 | 57% | 0.572 | S | S | * | * | trans | -90.4 | 0 | 173.8 | -92 | -85.4 | 0 | 0 | 0 | 112.3 | L344 | L344-Y346 PolarHBondContact O-N 3.2Š|
Retrieved 346 of 346 residues in 402.6 ms
(Link to these results)