| 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 | 42.2 | Very low | 49.9 | Very low | 247 Ų | 247 | 150.1 Ų | 150.1 | 100% | 1.217 | 85% | 0.854 | S | S | * | * | 0 | 152.5 | 0 | -81.5 | 169.5 | 166.8 | 0 | 0 | 107.5 | |||||
| 2 | D | 43.8 | Very low | 49.4 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 84% | 0.84 | 85% | 0.849 | S | S | * | * | trans | 69.3 | 101.3 | -175.3 | -140.4 | -103.3 | 0 | 0 | 0 | 117.6 | ||||
| 3 | P | 51.4 | Low | 50 | Low | 121 Ų | 121 | 143.3 Ų | 143.3 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | trans | -107 | 151.4 | 162.1 | 36.9 | -27.5 | 0 | 0 | 0 | 112 | ||||
| 4 | G | 46.3 | Very low | 49.5 | Very low | 77 Ų | 77 | 147.3 Ų | 147.3 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | trans | 131.9 | 34.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 5 | Q | 50 | Low | 49 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 95% | 0.953 | 85% | 0.845 | S | S | * | * | trans | -94.8 | 106.3 | 160.2 | -78.4 | -171.4 | 36.1 | 0 | 0 | 111.7 | ||||
| 6 | Q | 50.2 | Low | 48.8 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | trans | -99.2 | 131.8 | 162.5 | -73.4 | -177.3 | -75.2 | 0 | 0 | 110 | ||||
| 7 | P | 60.8 | Low | 48.2 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 73% | 0.727 | 85% | 0.85 | S | S | * | * | trans | -76.5 | 169 | 150.3 | 36.3 | -33 | 0 | 0 | 0 | 109.2 | ||||
| 8 | P | 52.6 | Low | 48.3 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 85% | 0.854 | S | S | * | * | cis | -145.6 | -135.4 | 32.8 | 43.1 | -19 | 0 | 0 | 0 | 110.9 | ||||
| 9 | P | 49.2 | Very low | 48.4 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | cis | -126.8 | -174.9 | -28.4 | 36.1 | -16.9 | 0 | 0 | 0 | 114.7 | ||||
| 10 | Q | 49.7 | Very low | 48.7 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 88% | 0.879 | 85% | 0.849 | S | S | * | * | trans | -94.5 | 176 | 176.6 | -102 | -166.7 | 20.9 | 0 | 0 | 113.6 | ||||
| 11 | P | 52.5 | Low | 48.4 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | trans | -99.2 | 172.5 | -147.8 | 39.8 | -39.4 | 0 | 0 | 0 | 117.1 | ||||
| 12 | A | 44.3 | Very low | 48.6 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | -145.3 | 159.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 13 | P | 57.6 | Low | 48.8 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 83% | 0.831 | S | S | * | * | trans | -113.1 | -167.3 | -160.9 | 42.8 | -34.3 | 0 | 0 | 0 | 115.5 | ||||
| 14 | Q | 42.3 | Very low | 48.9 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | 101 | 141.1 | -179 | -58 | 169.6 | 40.6 | 0 | 0 | 113.3 | ||||
| 15 | G | 42.8 | Very low | 48.9 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | cis | -164.1 | -179.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 16 | Q | 45.4 | Very low | 48.4 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 98% | 0.977 | 83% | 0.832 | S | S | * | * | trans | -85.5 | 157.2 | -174.2 | -59.7 | 168.5 | -5.8 | 0 | 0 | 113.4 | ||||
| 17 | G | 39.3 | Very low | 47.9 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | 159.7 | 87 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 18 | Q | 49.6 | Very low | 46.8 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | 29.7 | 158.1 | 147 | -81.9 | -177.6 | -21.8 | 0 | 0 | 125.5 | ||||
| 19 | P | 50.3 | Low | 46.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | -97.8 | 161.3 | -167.9 | 39.5 | -36.7 | 0 | 0 | 0 | 115.9 | ||||
| 20 | P | 54.3 | Low | 46.8 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 87% | 0.87 | 84% | 0.839 | S | S | * | * | trans | -89.7 | 161.7 | 176.2 | 35.6 | -34.7 | 0 | 0 | 0 | 114.9 | ||||
| 21 | A | 42.6 | Very low | 46.4 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | -113.6 | -178.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 22 | Q | 46.8 | Very low | 45.6 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -69.8 | 159.6 | -176.8 | -60.9 | 172.8 | -32.8 | 0 | 0 | 115.4 | ||||
| 23 | P | 48 | Very low | 46.3 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 85% | 0.845 | S | S | * | * | trans | -103.7 | 166.1 | 157.2 | 36.3 | -27 | 0 | 0 | 0 | 113.7 | ||||
| 24 | P | 53.1 | Low | 45.1 | Very low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 85% | 0.848 | S | S | * | * | trans | -104.9 | 176.1 | -150.5 | 40.2 | -37.6 | 0 | 0 | 0 | 117.6 | ||||
| 25 | Q | 45.2 | Very low | 45 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 94% | 0.935 | 85% | 0.846 | S | S | * | * | trans | -77.6 | 157.5 | 178.6 | -61.7 | 179.5 | -5.5 | 0 | 0 | 114.4 | ||||
| 26 | G | 40.5 | Very low | 45.5 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -147.1 | 146.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 27 | Q | 38.4 | Very low | 45.1 | Very low | 203 Ų | 203 | 127.6 Ų | 127.6 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | trans | -90.4 | 155.2 | -170.9 | -61.5 | 168.3 | 5 | 0 | 0 | 112.6 | ||||
| 28 | G | 39.3 | Very low | 45.4 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | -97 | 173.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 29 | P | 47.4 | Very low | 45.2 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -139.3 | -160.4 | 137.6 | 45.8 | -31.6 | 0 | 0 | 0 | 111.2 | ||||
| 30 | P | 53.4 | Low | 44.6 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | -125.8 | 172.6 | -110.8 | 30.4 | -6.8 | 0 | 0 | 0 | 117.7 | |||||
| 31 | S | 40.5 | Very low | 44.4 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -9.3 | 137.2 | 166.9 | -48.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 32 | G | 36.6 | Very low | 44.1 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | -172.4 | 136.5 | 160 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 33 | P | 58.7 | Low | 43.8 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -107.4 | 157.5 | -166.7 | 39.4 | -34.2 | 0 | 0 | 0 | 115.8 | ||||
| 34 | G | 33.8 | Very low | 43.6 | Very low | 79 Ų | 79 | 122.6 Ų | 122.6 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -178.4 | 129.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 35 | Q | 40 | Very low | 43.1 | Very low | 188 Ų | 188 | 122.3 Ų | 122.3 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | -90 | -170.8 | 174.1 | -57.5 | 178.9 | -0.6 | 0 | 0 | 111.1 | ||||
| 36 | P | 51.8 | Low | 43.3 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | -131.7 | 176.3 | -70.2 | 39.3 | -23.8 | 0 | 0 | 0 | 114.5 | |||||
| 37 | A | 38 | Very low | 43.7 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 72.7 | 162.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 38 | P | 45.4 | Very low | 44.3 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | cis | -125.2 | 167.4 | -0.4 | 40.7 | -25.9 | 0 | 0 | 0 | 116.4 | ||||
| 39 | A | 45.7 | Very low | 44.8 | Very low | 105 Ų | 105 | 119 Ų | 119 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | 14.7 | 109.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 40 | A | 37.3 | Very low | 44.9 | Very low | 90 Ų | 90 | 118.3 Ų | 118.3 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -122.8 | 121.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q42 | A40-Q42 PolarHBondContact O-N 3.49Å; A40-Q42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | T | 49.4 | Very low | 44.8 | Very low | 149 Ų | 149 | 116.2 Ų | 116.2 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -56.5 | 108 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 42 | Q | 36.3 | Very low | 45.1 | Very low | 184 Ų | 184 | 117 Ų | 117 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 131.1 | 164 | -70.2 | -169.9 | 17.7 | 0 | 0 | 109.7 | A40 | A40-Q42 PolarHBondContact O-N 3.49Å; A40-Q42 VanDerWaalsContact O-N 3.1Å |
| 43 | A | 40.2 | Very low | 45.7 | Very low | 93 Ų | 93 | 122 Ų | 122 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 44 | A | 44.1 | Very low | 45.8 | Very low | 90 Ų | 90 | 120.7 Ų | 120.7 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57 | 134.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q46 | A44-Q46 PolarHBondContact O-N 3.22Š|
| 45 | P | 43.4 | Very low | 46.9 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64 | 126.9 | 170.9 | 27.6 | -32.5 | 0 | 0 | 0 | 108.5 | A47 | P45-A47 PolarHBondContact O-N 3.14Š|
| 46 | Q | 48.8 | Very low | 47.6 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.5 | 176.5 | -71.9 | 177.7 | -26.2 | 0 | 0 | 109.8 | A44 | A44-Q46 PolarHBondContact O-N 3.22Š|
| 47 | A | 49.6 | Very low | 47.9 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 127.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P45 | P45-A47 PolarHBondContact O-N 3.14Š|
| 48 | P | 50.7 | Low | 48.8 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 149.3 | 177.8 | 29 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 49 | P | 49.2 | Very low | 49.4 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 139.5 | 176.7 | 26.8 | -34.2 | 0 | 0 | 0 | 111.1 | G51 | P49-G51 PolarHBondContact O-N 3.21Š|
| 50 | A | 51 | Low | 49.7 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 93% | 0.926 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 127.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 51 | G | 50.3 | Low | 50.6 | Low | 76 Ų | 76 | 117.2 Ų | 117.2 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.2 | -15.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P49 | P49-G51 PolarHBondContact O-N 3.21Š|
| 52 | H | 47.5 | Very low | 51.1 | Low | 146 Ų | 146 | 118.2 Ų | 118.2 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | trans | -102 | 107.5 | -176.7 | -62.2 | 87.6 | 0 | 0 | 0 | 111.9 | I54 | H52-I54 PolarHBondContact O-N 3.09Š| ||
| 53 | Q | 49.2 | Very low | 52.5 | Low | 182 Ų | 182 | 114.1 Ų | 114.1 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | trans | -78.7 | 95.7 | 172 | -169.6 | 169.2 | 28.1 | 0 | 0 | 109.7 | V55 | Q53-V55 PolarHBondContact O-N 2.72Å; Q53-V55 VanDerWaalsContact O-N 3.1Å | ||
| 54 | I | 61 | Low | 53.7 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 56% | 0.559 | 69% | 0.693 | S | S | * | * | trans | -77.4 | 97.4 | 177.9 | -53.1 | 174.8 | 0 | 0 | 0 | 109.1 | H52 H56 | H52-I54 PolarHBondContact O-N 3.09Å; I54-H56 WeakPolarHBondContact CG2-CE1 3.44Å; I54-H56 PolarHBondContact O-N 2.92Å; I54-H56 PolarHBondContact O-ND1 3.34Å | ||
| 55 | V | 55.6 | Low | 54.8 | Low | 114 Ų | 114 | 115.7 Ų | 115.7 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | trans | -72.4 | 97 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 109 | Q53 V57 | Q53-V55 PolarHBondContact O-N 2.72Å; Q53-V55 VanDerWaalsContact O-N 3.1Å; V55-V57 HydrophobicContact CG1-CG2 4.07Å; V55-V57 PolarHBondContact O-N 3.24Å; V55-V57 VanDerWaalsContact O-N 3.07Å | ||
| 56 | H | 54.8 | Low | 56 | Low | 163 Ų | 163 | 115.7 Ų | 115.7 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | trans | -77.7 | 87.2 | 169.9 | -70.9 | 91.3 | 0 | 0 | 0 | 109.5 | I54 R58 | I54-H56 WeakPolarHBondContact CG2-CE1 3.44Å; I54-H56 PolarHBondContact O-N 2.92Å; I54-H56 PolarHBondContact O-ND1 3.34Å; H56-R58 PolarHBondContact O-N 3.29Å | ||
| 57 | V | 57.6 | Low | 56.9 | Low | 120 Ų | 120 | 108.5 Ų | 108.5 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | trans | -62.7 | 123.9 | 164.6 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | V55 | V55-V57 HydrophobicContact CG1-CG2 4.07Å; V55-V57 PolarHBondContact O-N 3.24Å; V55-V57 VanDerWaalsContact O-N 3.07Å | ||
| 58 | R | 57.3 | Low | 57.9 | Low | 115 Ų | 115 | 109.3 Ų | 109.3 | 43% | 0.434 | 64% | 0.635 | S | S | . | * | trans | -87.9 | 135.3 | -175.9 | -148.1 | -177.8 | 133.6 | 144.1 | -6.1 | 108.4 | H56 D60 S61 | H56-R58 PolarHBondContact O-N 3.29Å; R58-D60 VanDerWaalsContact CB-OD1 3.3Å; R58-D60 WeakPolarHBondContact CB-OD1 3.44Å; R58-D60 WeakPolarHBondContact CD-OD1 3.47Å; R58-D60 WeakPolarHBondContact CG-OD1 3.49Å; R58-D60 IonicContact CZ-OD1 2.68Å; R58-D60 IonicContact CZ-OD2 3.76Å; R58-D60 IonicContact NE-OD1 3.45Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.71Å; R58-D60 PolarHBondContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD2 2.94Å; R58-D60 PolarHBondContact NH2-OD2 2.93Å; R58-D60 PolarHBondContact O-N 2.99Å; R58-S61 VanDerWaalsContact O-CB 3.27Å; R58-S61 WeakPolarHBondContact O-CB 3.44Å; R58-S61 PolarHBondContact O-N 3.2Å; R58-S61 PolarHBondContact O-OG 3.23Å | ||
| 59 | G | 58.5 | Low | 58.7 | Low | 93 Ų | 93 | 111.5 Ų | 111.5 | 96% | 0.959 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -5.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 60 | D | 51.1 | Low | 59.6 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 35% | 0.353 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.8 | 0.8 | 174.5 | 50 | 0.9 | 0 | 0 | 0 | 113.1 | R58 E62 T63 D64 | R58-D60 VanDerWaalsContact CB-OD1 3.3Å; R58-D60 WeakPolarHBondContact CB-OD1 3.44Å; R58-D60 WeakPolarHBondContact CD-OD1 3.47Å; R58-D60 WeakPolarHBondContact CG-OD1 3.49Å; R58-D60 IonicContact CZ-OD1 2.68Å; R58-D60 IonicContact CZ-OD2 3.76Å; R58-D60 IonicContact NE-OD1 3.45Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.71Å; R58-D60 PolarHBondContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD2 2.94Å; R58-D60 PolarHBondContact NH2-OD2 2.93Å; R58-D60 PolarHBondContact O-N 2.99Å; D60-E62 PolarHBondContact O-N 2.96Å; D60-T63 PolarHBondContact O-N 3.39Å; D60-D64 PolarHBondContact O-N 3.49Å |
| 61 | S | 57.3 | Low | 60.5 | Low | 45 Ų | 45 | 107.2 Ų | 107.2 | 32% | 0.315 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.5 | -35 | -175.1 | -67.5 | 0 | 0 | 0 | 0 | 114.3 | R58 L65 | R58-S61 VanDerWaalsContact O-CB 3.27Å; R58-S61 WeakPolarHBondContact O-CB 3.44Å; R58-S61 PolarHBondContact O-N 3.2Å; R58-S61 PolarHBondContact O-OG 3.23Å; S61-L65 WeakPolarHBondContact O-CB 3.42Å; S61-L65 VanDerWaalsContact O-CG 3.25Å; S61-L65 WeakPolarHBondContact O-CG 3.33Å; S61-L65 PolarHBondContact O-N 3.13Å; S61-L65 VanDerWaalsContact O-N 3.11Å |
| 62 | E | 60.3 | Low | 61.5 | Low | 171 Ų | 171 | 108.7 Ų | 108.7 | 80% | 0.799 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.2 | -42.4 | 177.2 | -65.1 | -169.6 | 111.6 | 0 | 0 | 111.4 | D60 L65 E66 | D60-E62 PolarHBondContact O-N 2.96Å; E62-L65 PolarHBondContact O-N 2.75Å; E62-E66 WeakPolarHBondContact O-CB 3.35Å; E62-E66 PolarHBondContact O-N 3.28Å |
| 63 | T | 64.1 | Low | 62.7 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.2 | -35.9 | 178.4 | -45.5 | 0 | 0 | 0 | 0 | 112.6 | D60 A67 | D60-T63 PolarHBondContact O-N 3.39Å; T63-A67 VanDerWaalsContact O-CB 3.26Å; T63-A67 WeakPolarHBondContact O-CB 3.13Å; T63-A67 PolarHBondContact O-N 3.27Å |
| 64 | D | 66.3 | Low | 63.7 | Low | 122 Ų | 122 | 103.9 Ų | 103.9 | 65% | 0.652 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.4 | -40.3 | 176 | -164.6 | 54 | 0 | 0 | 0 | 111.5 | D60 L68 | D60-D64 PolarHBondContact O-N 3.49Å; D64-L68 WeakPolarHBondContact O-CB 3.4Å; D64-L68 PolarHBondContact O-N 2.75Å |
| 65 | L | 67.6 | Low | 63.8 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -44.6 | 173.2 | -71.6 | 171.6 | 0 | 0 | 0 | 111.9 | S61 E62 A67 L68 F69 | S61-L65 WeakPolarHBondContact O-CB 3.42Å; S61-L65 VanDerWaalsContact O-CG 3.25Å; S61-L65 WeakPolarHBondContact O-CG 3.33Å; S61-L65 PolarHBondContact O-N 3.13Å; S61-L65 VanDerWaalsContact O-N 3.11Å; E62-L65 PolarHBondContact O-N 2.75Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 2.72Å; L65-L68 WeakPolarHBondContact O-CB 3.3Å; L65-L68 PolarHBondContact O-N 2.92Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L65-F69 WeakPolarHBondContact O-CD2 3.36Å; L65-F69 PolarHBondContact O-N 3.04Å |
| 66 | E | 68.4 | Low | 64 | Low | 123 Ų | 123 | 108.1 Ų | 108.1 | 58% | 0.575 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.6 | -35.4 | 178.4 | -168.4 | 173 | -152.4 | 0 | 0 | 112 | E62 F69 N70 | E62-E66 WeakPolarHBondContact O-CB 3.35Å; E62-E66 PolarHBondContact O-N 3.28Å; E66-F69 PolarHBondContact O-N 2.86Å; E66-N70 WeakPolarHBondContact O-CB 3.22Å; E66-N70 PolarHBondContact O-N 2.69Å; E66-N70 PolarHBondContact O-ND2 3.29Å |
| 67 | A | 66.7 | Low | 64.2 | Low | 40 Ų | 40 | 105.8 Ų | 105.8 | 33% | 0.331 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.9 | -39.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T63 L65 N70 A71 | T63-A67 VanDerWaalsContact O-CB 3.26Å; T63-A67 WeakPolarHBondContact O-CB 3.13Å; T63-A67 PolarHBondContact O-N 3.27Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 2.72Å; A67-N70 PolarHBondContact O-N 2.75Å; A67-A71 WeakPolarHBondContact O-CB 3.33Å; A67-A71 PolarHBondContact O-N 3.38Å |
| 68 | L | 70.5 | Confident | 64.2 | Low | 110 Ų | 110 | 101.8 Ų | 101.8 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.7 | -42.6 | 175.3 | -174.8 | 65.2 | 0 | 0 | 0 | 111.9 | D64 L65 A71 V72 | D64-L68 WeakPolarHBondContact O-CB 3.4Å; D64-L68 PolarHBondContact O-N 2.75Å; L65-L68 WeakPolarHBondContact O-CB 3.3Å; L65-L68 PolarHBondContact O-N 2.92Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L68-A71 PolarHBondContact O-N 3.01Å; L68-V72 PolarHBondContact O-N 2.92Å; L68-V72 VanDerWaalsContact O-N 3.13Å |
| 69 | F | 69.2 | Low | 64.3 | Low | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.3 | -46.4 | 173.7 | -83.1 | -68.9 | 0 | 0 | 0 | 111.7 | L65 E66 A71 V72 M73 | L65-F69 WeakPolarHBondContact O-CD2 3.36Å; L65-F69 PolarHBondContact O-N 3.04Å; E66-F69 PolarHBondContact O-N 2.86Å; F69-A71 VanDerWaalsContact C-N 3.31Å; F69-A71 PolarHBondContact O-N 3.04Å; F69-V72 PolarHBondContact O-N 3.48Å; F69-M73 WeakPolarHBondContact O-CG 3.37Å; F69-M73 PolarHBondContact O-N 3.49Å |
| 70 | N | 67.6 | Low | 64.3 | Low | 92 Ų | 92 | 103.7 Ų | 103.7 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -32.1 | 176.1 | -82.6 | -37.1 | 0 | 0 | 0 | 112.9 | E66 A67 N74 | E66-N70 WeakPolarHBondContact O-CB 3.22Å; E66-N70 PolarHBondContact O-N 2.69Å; E66-N70 PolarHBondContact O-ND2 3.29Å; A67-N70 PolarHBondContact O-N 2.75Å; N70-N74 WeakPolarHBondContact O-CA 3.5Å; N70-N74 WeakPolarHBondContact O-CB 3.31Å; N70-N74 PolarHBondContact O-N 3.11Å |
| 71 | A | 70.2 | Confident | 64.5 | Low | 31 Ų | 31 | 105.4 Ų | 105.4 | 26% | 0.256 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.1 | -35.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A67 L68 F69 A78 | A67-A71 WeakPolarHBondContact O-CB 3.33Å; A67-A71 PolarHBondContact O-N 3.38Å; L68-A71 PolarHBondContact O-N 3.01Å; F69-A71 VanDerWaalsContact C-N 3.31Å; F69-A71 PolarHBondContact O-N 3.04Å; A71-A78 HydrophobicContact CB-CB 3.98Å |
| 72 | V | 70.9 | Confident | 64.6 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.5 | -44.2 | 175 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | L68 F69 | L68-V72 PolarHBondContact O-N 2.92Å; L68-V72 VanDerWaalsContact O-N 3.13Å; F69-V72 PolarHBondContact O-N 3.48Å |
| 73 | M | 73.6 | Confident | 64.7 | Low | 139 Ų | 139 | 109.1 Ų | 109.1 | 69% | 0.685 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -77.9 | -33.9 | -176.4 | -62.5 | -60.9 | -73.6 | 0 | 0 | 112.9 | F69 P75 | F69-M73 WeakPolarHBondContact O-CG 3.37Å; F69-M73 PolarHBondContact O-N 3.49Å; M73-P75 VanDerWaalsContact C-CD 3.46Å; M73-P75 WeakPolarHBondContact O-CD 3.23Å |
| 74 | N | 69.9 | Low | 64.9 | Low | 89 Ų | 89 | 108 Ų | 108 | 48% | 0.476 | 59% | 0.589 | S | S | . | * | trans | -128.2 | 62.5 | -173.7 | -71.4 | 64.9 | 0 | 0 | 0 | 112.3 | N70 K76 T77 | N70-N74 WeakPolarHBondContact O-CA 3.5Å; N70-N74 WeakPolarHBondContact O-CB 3.31Å; N70-N74 PolarHBondContact O-N 3.11Å; N74-K76 PolarHBondContact O-N 3.4Å; N74-T77 PolarHBondContact O-N 2.86Å; N74-T77 PolarHBondContact O-OG1 3.33Å | ||
| 75 | P | 62.1 | Low | 65.3 | Low | 98 Ų | 98 | 105.9 Ų | 105.9 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -10.6 | -173.4 | 27.1 | -36.8 | 0 | 0 | 0 | 114.9 | M73 | M73-P75 VanDerWaalsContact C-CD 3.46Å; M73-P75 WeakPolarHBondContact O-CD 3.23Å |
| 76 | K | 60.4 | Low | 65.6 | Low | 213 Ų | 213 | 105 Ų | 105 | 93% | 0.926 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -11.4 | -179.7 | -68.8 | 173.5 | 179.6 | 171.4 | 0 | 114.1 | N74 | N74-K76 PolarHBondContact O-N 3.4Š|
| 77 | T | 59.4 | Low | 65.9 | Low | 115 Ų | 115 | 108.6 Ų | 108.6 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -13.6 | -179.3 | 46.8 | 0 | 0 | 0 | 0 | 113.5 | N74 N79 | N74-T77 PolarHBondContact O-N 2.86Å; N74-T77 PolarHBondContact O-OG1 3.33Å; T77-N79 PolarHBondContact O-N 2.91Å; T77-N79 VanDerWaalsContact O-N 3.09Å |
| 78 | A | 56.4 | Low | 66.1 | Low | 35 Ų | 35 | 113 Ų | 113 | 29% | 0.289 | 60% | 0.602 | S | S | . | * | trans | -82.6 | 81 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A71 V80 | A71-A78 HydrophobicContact CB-CB 3.98Å; A78-V80 HydrophobicContact CB-CG2 4.34Å; A78-V80 PolarHBondContact O-N 3.12Å | ||
| 79 | N | 59.7 | Low | 66.6 | Low | 165 Ų | 165 | 112.8 Ų | 112.8 | 88% | 0.882 | 59% | 0.593 | S | S | * | * | trans | -78.5 | 64.9 | 163.4 | -164.7 | -11.2 | 0 | 0 | 0 | 110 | T77 | T77-N79 PolarHBondContact O-N 2.91Å; T77-N79 VanDerWaalsContact O-N 3.09Å | ||
| 80 | V | 59.1 | Low | 66.8 | Low | 84 Ų | 84 | 114.3 Ų | 114.3 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | trans | -110.6 | 122 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 108 | A78 Q82 | A78-V80 HydrophobicContact CB-CG2 4.34Å; A78-V80 PolarHBondContact O-N 3.12Å; V80-Q82 PolarHBondContact O-N 2.91Å; V80-Q82 VanDerWaalsContact O-N 3.12Å | ||
| 81 | P | 56 | Low | 67.4 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 66% | 0.662 | 59% | 0.592 | S | S | * | * | trans | -65.3 | 115.4 | 179.4 | 25.6 | -32.8 | 0 | 0 | 0 | 110.2 | T83 | P81-T83 PolarHBondContact O-N 2.92Š| ||
| 82 | Q | 59.1 | Low | 67.9 | Low | 197 Ų | 197 | 115.4 Ų | 115.4 | 92% | 0.921 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -54.7 | -20.8 | -170.2 | -91.1 | -171.3 | -28.7 | 0 | 0 | 115.7 | V80 | V80-Q82 PolarHBondContact O-N 2.91Å; V80-Q82 VanDerWaalsContact O-N 3.12Å |
| 83 | T | 62.7 | Low | 68 | Low | 97 Ų | 97 | 116 Ų | 116 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | trans | -142.1 | 129.2 | 169.7 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | P81 P85 | P81-T83 PolarHBondContact O-N 2.92Å; T83-P85 WeakPolarHBondContact O-CD 3.31Å | ||
| 84 | V | 67.1 | Low | 68 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 44% | 0.436 | 60% | 0.603 | S | S | . | * | trans | -67.5 | 122.8 | 159.5 | 177 | 0 | 0 | 0 | 0 | 107.7 | M86 L88 R89 | V84-M86 PolarHBondContact O-N 3.32Å; V84-L88 HydrophobicContact CG1-CB 3.62Å; V84-R89 HydrophobicContact CB-CG 4.35Å; V84-R89 HydrophobicContact CG1-CG 4.1Å; V84-R89 PolarHBondContact O-NE 3.05Å; V84-R89 PolarHBondContact O-NH1 2.78Å; V84-R89 PolarHBondContact O-NH2 3.36Å | ||
| 85 | P | 75.4 | Confident | 68.6 | Low | 78 Ų | 78 | 115.2 Ų | 115.2 | 51% | 0.506 | 61% | 0.605 | S | S | . | * | trans | -51.5 | 141.3 | 177.5 | -29 | 34.9 | 0 | 0 | 0 | 111.8 | T83 R87 L88 R89 | T83-P85 WeakPolarHBondContact O-CD 3.31Å; P85-R87 PolarHBondContact O-N 2.88Å; P85-L88 HydrophobicContact CB-CD1 4.45Å; P85-L88 HydrophobicContact CG-CD1 4.21Å; P85-L88 WeakPolarHBondContact O-CA 3.33Å; P85-L88 PolarHBondContact O-N 3.16Å; P85-R89 PolarHBondContact O-N 2.76Å | ||
| 86 | M | 74 | Confident | 69.5 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 37% | 0.374 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -50.8 | -39.2 | -173.9 | -70.6 | -68.1 | -77.9 | 0 | 0 | 113.1 | V84 L88 R89 L91 F95 F96 | V84-M86 PolarHBondContact O-N 3.32Å; M86-L88 PolarHBondContact O-N 2.84Å; M86-R89 WeakPolarHBondContact O-CB 3.09Å; M86-R89 PolarHBondContact O-N 2.84Å; M86-R89 PolarHBondContact SD-NH1 2.94Å; M86-L91 HydrophobicContact CE-CD1 3.56Å; M86-L91 HydrophobicContact SD-CD1 4.32Å; M86-F95 HydrophobicContact CE-CD1 4.35Å; M86-F95 HydrophobicContact CE-CE1 3.35Å; M86-F95 HydrophobicContact CE-CZ 3.5Å; M86-F95 VanDerWaalsContact CE-CZ 3.5Å; M86-F96 HydrophobicContact CB-CE1 3.75Å; M86-F96 HydrophobicContact CB-CZ 3.94Å; M86-F96 VanDerWaalsContact O-CZ 3.23Å; M86-F96 WeakPolarHBondContact O-CZ 3.39Å |
| 87 | R | 73.8 | Confident | 70.4 | Confident | 200 Ų | 200 | 109.9 Ų | 109.9 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -67.1 | -17.3 | 179.3 | -55.8 | 178.9 | 87.5 | 115.3 | 1.2 | 114.7 | P85 F96 | P85-R87 PolarHBondContact O-N 2.88Å; R87-F96 HydrophobicContact CB-CZ 4.48Å; R87-F96 HydrophobicContact CG-CD1 3.91Å; R87-F96 HydrophobicContact CG-CE1 3.79Å; R87-F96 HydrophobicContact CG-CG 4.43Å; R87-F96 HydrophobicContact CG-CZ 4.23Å |
| 88 | L | 71.1 | Confident | 71 | Confident | 132 Ų | 132 | 109.7 Ų | 109.7 | 69% | 0.691 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -98.6 | -10.1 | 174.8 | -67.1 | 173.4 | 0 | 0 | 0 | 112.1 | V84 P85 M86 | V84-L88 HydrophobicContact CG1-CB 3.62Å; P85-L88 HydrophobicContact CB-CD1 4.45Å; P85-L88 HydrophobicContact CG-CD1 4.21Å; P85-L88 WeakPolarHBondContact O-CA 3.33Å; P85-L88 PolarHBondContact O-N 3.16Å; M86-L88 PolarHBondContact O-N 2.84Å |
| 89 | R | 80.2 | Confident | 71.8 | Confident | 105 Ų | 105 | 114 Ų | 114 | 40% | 0.396 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -72.6 | 139.6 | 162.6 | -58.9 | 179.5 | 165.5 | 136.5 | -1.8 | 107.2 | V84 P85 M86 L91 | V84-R89 HydrophobicContact CB-CG 4.35Å; V84-R89 HydrophobicContact CG1-CG 4.1Å; V84-R89 PolarHBondContact O-NE 3.05Å; V84-R89 PolarHBondContact O-NH1 2.78Å; V84-R89 PolarHBondContact O-NH2 3.36Å; P85-R89 PolarHBondContact O-N 2.76Å; M86-R89 WeakPolarHBondContact O-CB 3.09Å; M86-R89 PolarHBondContact O-N 2.84Å; M86-R89 PolarHBondContact SD-NH1 2.94Å; R89-L91 HydrophobicContact CB-CD1 4.14Å; R89-L91 HydrophobicContact CB-CG 4.05Å; R89-L91 PolarHBondContact O-N 2.92Å |
| 90 | K | 74.1 | Confident | 72.3 | Confident | 174 Ų | 174 | 113.4 Ų | 113.4 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | trans | -71.5 | 58 | -179.6 | -76.8 | 171.9 | 47.6 | -177.9 | 0 | 111.8 | ||||
| 91 | L | 80.4 | Confident | 72.1 | Confident | 63 Ų | 63 | 115.5 Ų | 115.5 | 33% | 0.33 | 61% | 0.605 | S | S | . | * | trans | -91.9 | 150.7 | 177.5 | -64.8 | 173.3 | 0 | 0 | 0 | 109.7 | M86 R89 F95 F96 | M86-L91 HydrophobicContact CE-CD1 3.56Å; M86-L91 HydrophobicContact SD-CD1 4.32Å; R89-L91 HydrophobicContact CB-CD1 4.14Å; R89-L91 HydrophobicContact CB-CG 4.05Å; R89-L91 PolarHBondContact O-N 2.92Å; L91-F95 HydrophobicContact CB-CB 4.44Å; L91-F95 HydrophobicContact CD1-CD1 4.05Å; L91-F95 HydrophobicContact CD1-CE1 4.18Å; L91-F95 HydrophobicContact CD1-CG 4.38Å; L91-F96 HydrophobicContact CB-CE2 4Å; L91-F96 HydrophobicContact CB-CZ 4.3Å; L91-F96 HydrophobicContact CD1-CZ 4.05Å | ||
| 92 | P | 80.8 | Confident | 71.7 | Confident | 84 Ų | 84 | 118.1 Ų | 118.1 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | trans | -61.7 | 146.1 | 177.1 | -21.5 | 33.5 | 0 | 0 | 0 | 112.1 | S94 F95 | P92-S94 PolarHBondContact O-N 3.17Å; P92-F95 VanDerWaalsContact O-CB 3.22Å; P92-F95 WeakPolarHBondContact O-CB 3.37Å; P92-F95 PolarHBondContact O-N 3.4Å | ||
| 93 | D | 72.3 | Confident | 71.3 | Confident | 118 Ų | 118 | 114.4 Ų | 114.4 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -57.8 | -23.9 | 177.4 | -74.2 | -46.4 | 0 | 0 | 0 | 113.8 | F95 F96 K97 | D93-F95 PolarHBondContact O-N 3.48Å; D93-F96 PolarHBondContact O-N 3.41Å; D93-K97 WeakPolarHBondContact O-CG 3.43Å; D93-K97 PolarHBondContact O-N 3.43Å |
| 94 | S | 73.3 | Confident | 70.4 | Confident | 90 Ų | 90 | 118 Ų | 118 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -62.4 | -24.7 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | P92 F96 | P92-S94 PolarHBondContact O-N 3.17Å; S94-F96 VanDerWaalsContact C-N 3.29Å; S94-F96 PolarHBondContact O-N 3.29Å |
| 95 | F | 82.3 | Confident | 69.2 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -69.7 | -26.2 | 176.3 | -167.9 | -86.3 | 0 | 0 | 0 | 112.5 | M86 L91 P92 D93 | M86-F95 HydrophobicContact CE-CD1 4.35Å; M86-F95 HydrophobicContact CE-CE1 3.35Å; M86-F95 HydrophobicContact CE-CZ 3.5Å; M86-F95 VanDerWaalsContact CE-CZ 3.5Å; L91-F95 HydrophobicContact CB-CB 4.44Å; L91-F95 HydrophobicContact CD1-CD1 4.05Å; L91-F95 HydrophobicContact CD1-CE1 4.18Å; L91-F95 HydrophobicContact CD1-CG 4.38Å; P92-F95 VanDerWaalsContact O-CB 3.22Å; P92-F95 WeakPolarHBondContact O-CB 3.37Å; P92-F95 PolarHBondContact O-N 3.4Å; D93-F95 PolarHBondContact O-N 3.48Å |
| 96 | F | 82.9 | Confident | 67.7 | Low | 58 Ų | 58 | 126.6 Ų | 126.6 | 25% | 0.254 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -102.7 | -1.7 | 179.7 | -59 | -67.4 | 0 | 0 | 0 | 113.9 | M86 R87 L91 D93 S94 | M86-F96 HydrophobicContact CB-CE1 3.75Å; M86-F96 HydrophobicContact CB-CZ 3.94Å; M86-F96 VanDerWaalsContact O-CZ 3.23Å; M86-F96 WeakPolarHBondContact O-CZ 3.39Å; R87-F96 HydrophobicContact CB-CZ 4.48Å; R87-F96 HydrophobicContact CG-CD1 3.91Å; R87-F96 HydrophobicContact CG-CE1 3.79Å; R87-F96 HydrophobicContact CG-CG 4.43Å; R87-F96 HydrophobicContact CG-CZ 4.23Å; L91-F96 HydrophobicContact CB-CE2 4Å; L91-F96 HydrophobicContact CB-CZ 4.3Å; L91-F96 HydrophobicContact CD1-CZ 4.05Å; D93-F96 PolarHBondContact O-N 3.41Å; S94-F96 VanDerWaalsContact C-N 3.29Å; S94-F96 PolarHBondContact O-N 3.29Å |
| 97 | K | 79 | Confident | 66.2 | Low | 141 Ų | 141 | 131.2 Ų | 131.2 | 61% | 0.613 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -97.8 | 117.7 | 176 | -73.8 | 170.6 | -179.8 | 175.7 | 0 | 108.3 | D93 | D93-K97 WeakPolarHBondContact O-CG 3.43Å; D93-K97 PolarHBondContact O-N 3.43Å |
| 98 | P | 71.8 | Confident | 64.7 | Low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.6 | 170.9 | 26.8 | -33.4 | 0 | 0 | 0 | 109 | E100 | P98-E100 PolarHBondContact O-N 3.31Š|
| 99 | P | 71.9 | Confident | 63.6 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 131.7 | 177.3 | 25 | -33.4 | 0 | 0 | 0 | 109.4 | ||
| 100 | E | 70.8 | Confident | 61.8 | Low | 151 Ų | 151 | 126.8 Ų | 126.8 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 137.3 | 176.6 | -64 | 171.6 | 145.2 | 0 | 0 | 109.4 | P98 K102 | P98-E100 PolarHBondContact O-N 3.31Å; E100-K102 PolarHBondContact O-N 3.23Å |
| 101 | P | 56.1 | Low | 60.3 | Low | 129 Ų | 129 | 126.1 Ų | 126.1 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | trans | -70.5 | 78.7 | 176.8 | 29.9 | -34.9 | 0 | 0 | 0 | 109.8 | S103 | P101-S103 PolarHBondContact O-N 3.33Š| ||
| 102 | K | 47.5 | Very low | 58.3 | Low | 156 Ų | 156 | 127.1 Ų | 127.1 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -67.4 | 106.4 | 170.6 | -94.6 | 173.3 | 176.6 | 159.6 | 0 | 108.4 | E100 H104 | E100-K102 PolarHBondContact O-N 3.23Å; K102-H104 PolarHBondContact O-CD2 2.97Å; K102-H104 VanDerWaalsContact O-CD2 3.31Å; K102-H104 PolarHBondContact O-N 3.44Å | ||
| 103 | S | 49 | Very low | 56.2 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -51.3 | 96.9 | 168.6 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | P101 S105 | P101-S103 PolarHBondContact O-N 3.33Å; S103-S105 PolarHBondContact O-N 2.88Å | ||
| 104 | H | 44.8 | Very low | 54.8 | Low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -71.5 | 99.8 | 169.1 | -78.7 | -74.1 | 0 | 0 | 0 | 108.4 | K102 R106 | K102-H104 PolarHBondContact O-CD2 2.97Å; K102-H104 VanDerWaalsContact O-CD2 3.31Å; K102-H104 PolarHBondContact O-N 3.44Å; H104-R106 PolarHBondContact O-N 2.9Å | ||
| 105 | S | 41.3 | Very low | 53.2 | Low | 88 Ų | 88 | 128.7 Ų | 128.7 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | trans | -45.1 | 102.8 | -178.8 | -173 | 0 | 0 | 0 | 0 | 112.8 | S103 Q107 | S103-S105 PolarHBondContact O-N 2.88Å; S105-Q107 PolarHBondContact O-N 3.05Å; S105-Q107 WeakPolarHBondContact OG-CG 3.39Å | ||
| 106 | R | 43.6 | Very low | 51 | Low | 242 Ų | 242 | 126.9 Ų | 126.9 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | trans | -84.6 | 70.1 | 157.2 | -78.8 | -174.6 | 169 | -117.1 | 2.4 | 108.8 | H104 A108 | H104-R106 PolarHBondContact O-N 2.9Å; R106-A108 PolarHBondContact O-N 3.15Å | ||
| 107 | Q | 44.2 | Very low | 48.9 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -77.5 | 79.7 | 163.9 | -84.4 | -179.8 | -4.3 | 0 | 0 | 109.3 | S105 | S105-Q107 PolarHBondContact O-N 3.05Å; S105-Q107 WeakPolarHBondContact OG-CG 3.39Å | ||
| 108 | A | 40.4 | Very low | 47.1 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -83.8 | 116.6 | 155 | 0 | 0 | 0 | 0 | 0 | 107.1 | R106 T110 | R106-A108 PolarHBondContact O-N 3.15Å; A108-T110 PolarHBondContact O-N 3.39Å; A108-T110 VanDerWaalsContact O-N 3.17Å | ||
| 109 | S | 49.3 | Very low | 46 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -73.8 | 104.4 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 110 | T | 42.3 | Very low | 44.5 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -130.8 | 119.2 | 152.7 | 47.6 | 0 | 0 | 0 | 0 | 108.5 | A108 | A108-T110 PolarHBondContact O-N 3.39Å; A108-T110 VanDerWaalsContact O-N 3.17Å | ||
| 111 | D | 43.1 | Very low | 42.8 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -62.8 | 171.7 | 171 | 176.3 | 52.3 | 0 | 0 | 0 | 111.9 | ||||
| 112 | A | 37.4 | Very low | 41.9 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | 81.1 | 110.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 113 | G | 37.7 | Very low | 41.5 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 93.7 | 92.9 | 108.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | A115 | G113-A115 PolarHBondContact O-N 3.28Š| |||
| 114 | T | 42.7 | Very low | 41.3 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -44.8 | 121.7 | 158.6 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 115 | A | 38.6 | Very low | 40.9 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | 159.2 | 156.3 | 128.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G113 | G113-A115 PolarHBondContact O-N 3.28Š| |||
| 116 | G | 35.8 | Very low | 40.8 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | 106.8 | 132.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 117 | A | 40.5 | Very low | 40.4 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -108.6 | 175.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 118 | L | 39.7 | Very low | 40.1 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | 94.7 | 107.8 | 160.7 | -48.7 | -178.5 | 0 | 0 | 0 | 118.7 | ||||
| 119 | T | 49.3 | Very low | 40.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | 47.9 | 121.6 | 137.2 | 62 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 120 | P | 41.1 | Very low | 39.8 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -88.6 | 122.9 | 155.5 | -4.8 | 24.3 | 0 | 0 | 0 | 111.9 | ||||
| 121 | Q | 33.8 | Very low | 39.7 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 144.7 | 163.7 | -72.7 | -176.2 | -43.6 | 0 | 0 | 110.8 | V123 | Q121-V123 PolarHBondContact O-N 3.34Š| ||
| 122 | H | 37.4 | Very low | 39.7 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -91.6 | 97.7 | 178.5 | -160.9 | -73.4 | 0 | 0 | 0 | 111.4 | R124 | H122-R124 PolarHBondContact O-N 3.13Š| ||
| 123 | V | 39.5 | Very low | 39.9 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -76.7 | 116.4 | 173 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | Q121 | Q121-V123 PolarHBondContact O-N 3.34Š| ||
| 124 | R | 45.7 | Very low | 39.9 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -87.4 | 120.6 | 176.9 | 168.5 | -176.1 | -73.2 | -172.6 | -4.2 | 109.9 | H122 | H122-R124 PolarHBondContact O-N 3.13Š| ||
| 125 | A | 34.7 | Very low | 39.5 | Very low | 81 Ų | 81 | 133 Ų | 133 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | trans | -150.4 | 95.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 126 | H | 39.9 | Very low | 39.4 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | 80.3 | 88.1 | 97.4 | -48.2 | -37.1 | 0 | 0 | 0 | 115.7 | |||||
| 127 | S | 35.5 | Very low | 39.4 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -154 | 124.9 | 143.4 | -77.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 128 | S | 38.2 | Very low | 39.2 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 147 | -149.8 | -58.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 129 | P | 46.1 | Very low | 39.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 150.5 | 162.7 | 33.9 | -33.8 | 0 | 0 | 0 | 111.1 | ||
| 130 | A | 36.1 | Very low | 38.6 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 131 | S | 41.8 | Very low | 38.3 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 126 | -169.3 | -55.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 132 | L | 41.5 | Very low | 38.2 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -89.3 | 106.5 | 149.2 | -75.6 | 173.4 | 0 | 0 | 0 | 108.4 | L134 | L132-L134 PolarHBondContact O-N 2.7Å; L132-L134 VanDerWaalsContact O-N 3.11Å | ||
| 133 | Q | 41.7 | Very low | 38 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 92.9 | 171.5 | -73.2 | -179.4 | -29.1 | 0 | 0 | 109.8 | ||||
| 134 | L | 38 | Very low | 38.5 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -93.8 | 98.3 | 157.1 | -124 | 73 | 0 | 0 | 0 | 107.9 | L132 A136 | L132-L134 PolarHBondContact O-N 2.7Å; L132-L134 VanDerWaalsContact O-N 3.11Å; L134-A136 PolarHBondContact O-N 3.21Å | ||
| 135 | G | 34.8 | Very low | 37.8 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -69.9 | 114.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 136 | A | 36.2 | Very low | 37.6 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -69.9 | 128.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L134 | L134-A136 PolarHBondContact O-N 3.21Š| ||
| 137 | V | 36.8 | Very low | 37.4 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -118.7 | 129.8 | 169.7 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 138 | S | 35.3 | Very low | 37.3 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -167.4 | 143.8 | 167 | -76 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 139 | P | 45.9 | Very low | 37 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | cis | -123.4 | 164.9 | -38 | 37.3 | -25.3 | 0 | 0 | 0 | 111.7 | ||||
| 140 | G | 31.4 | Very low | 36.3 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 115.3 | 136.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 141 | T | 32.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 76.1 | 110.4 | 147.3 | 24.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 142 | L | 32.1 | Very low | 36.5 | Very low | 163 Ų | 163 | 123.5 Ų | 123.5 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 86.4 | 141.1 | 142.7 | -50.3 | -177.9 | 0 | 0 | 0 | 121.4 | ||||
| 143 | T | 34.6 | Very low | 36.1 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -87.4 | -175.3 | 179.7 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 144 | P | 49.7 | Very low | 35.7 | Very low | 102 Ų | 102 | 117 Ų | 117 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | cis | -132.1 | -167.5 | -35.4 | 31.1 | -10.4 | 0 | 0 | 0 | 113.2 | ||||
| 145 | T | 30.1 | Very low | 35.7 | Very low | 143 Ų | 143 | 114.9 Ų | 114.9 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 69.6 | 138 | 155.6 | 36.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 146 | G | 31.9 | Very low | 35.6 | Very low | 81 Ų | 81 | 117.7 Ų | 117.7 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 158.2 | 108.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 147 | V | 33.7 | Very low | 35.8 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -71 | 163.3 | -177.3 | -70.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 148 | V | 33.8 | Very low | 35.7 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 113.1 | 137.3 | 130.5 | 102.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 149 | S | 32.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 71.9 | 123.3 | 155.3 | -62 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 150 | G | 31.1 | Very low | 35.6 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -93.2 | -149 | 150.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 151 | P | 52.2 | Low | 36 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | cis | -130.7 | 165 | -6.6 | 41.3 | -26.5 | 0 | 0 | 0 | 114.6 | ||||
| 152 | A | 29.8 | Very low | 36.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -165.5 | 153.3 | 156 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 153 | A | 33.1 | Very low | 36.4 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -95.9 | 150.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 154 | T | 34.2 | Very low | 36.6 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -176.6 | 144.5 | 131.1 | 26.3 | 0 | 0 | 0 | 0 | 110.2 | T156 | T154-T156 PolarHBondContact O-N 3.33Š| ||
| 155 | P | 37.5 | Very low | 36.7 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -78.4 | 109.8 | -179.8 | 30.8 | -32.6 | 0 | 0 | 0 | 110.5 | A157 | P155-A157 PolarHBondContact O-N 3.06Å; P155-A157 VanDerWaalsContact O-N 3.09Å | ||
| 156 | T | 33.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -70.2 | 104.2 | 166.3 | 33.4 | 0 | 0 | 0 | 0 | 109.1 | T154 Q158 | T154-T156 PolarHBondContact O-N 3.33Å; T156-Q158 PolarHBondContact O-N 3.14Å | ||
| 157 | A | 38.6 | Very low | 39.3 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -59.1 | 100.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | P155 H159 | P155-A157 PolarHBondContact O-N 3.06Å; P155-A157 VanDerWaalsContact O-N 3.09Å; A157-H159 PolarHBondContact O-N 3.32Å | ||
| 158 | Q | 36.3 | Very low | 40.7 | Very low | 181 Ų | 181 | 124.1 Ų | 124.1 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -67.2 | 107.2 | 169 | -70.1 | -151 | -14.9 | 0 | 0 | 107.8 | T156 L160 | T156-Q158 PolarHBondContact O-N 3.14Å; Q158-L160 PolarHBondContact O-N 2.86Å | ||
| 159 | H | 37.1 | Very low | 42 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 73% | 0.731 | 72% | 0.718 | S | S | * | * | trans | -64 | 93.2 | 164.9 | 177.5 | -97.3 | 0 | 0 | 0 | 107.5 | A157 R161 | A157-H159 PolarHBondContact O-N 3.32Å; H159-R161 VanDerWaalsContact C-N 3.3Å; H159-R161 PolarHBondContact O-N 3.02Å | ||
| 160 | L | 41.4 | Very low | 43.4 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -54.1 | 96.1 | 171.6 | -178.4 | 65.4 | 0 | 0 | 0 | 107.2 | Q158 Q162 | Q158-L160 PolarHBondContact O-N 2.86Å; L160-Q162 PolarHBondContact O-N 2.8Å | ||
| 161 | R | 39.3 | Very low | 45.4 | Very low | 218 Ų | 218 | 124.2 Ų | 124.2 | 82% | 0.823 | 70% | 0.704 | S | S | * | * | trans | -55.8 | 118.3 | 171.2 | -84.9 | -173.3 | 118.5 | -175.7 | 0.9 | 105.6 | H159 S163 | H159-R161 VanDerWaalsContact C-N 3.3Å; H159-R161 PolarHBondContact O-N 3.02Å; R161-S163 PolarHBondContact O-N 2.84Å | ||
| 162 | Q | 36.5 | Very low | 46.7 | Very low | 179 Ų | 179 | 123 Ų | 123 | 84% | 0.836 | 70% | 0.696 | S | S | * | * | trans | -49.1 | 106.2 | 177.6 | -66.3 | 164.2 | 9.6 | 0 | 0 | 107.8 | L160 S164 | L160-Q162 PolarHBondContact O-N 2.8Å; Q162-S164 PolarHBondContact O-N 3.03Å; Q162-S164 VanDerWaalsContact O-N 3.14Å | ||
| 163 | S | 37.5 | Very low | 49.3 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 57% | 0.573 | 67% | 0.667 | S | S | * | * | trans | -57.7 | 119.1 | 165.7 | 29.7 | 0 | 0 | 0 | 0 | 105.7 | R161 F165 | R161-S163 PolarHBondContact O-N 2.84Å; S163-F165 PolarHBondContact O-N 2.88Å | ||
| 164 | S | 39.2 | Very low | 51.8 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | trans | -51.9 | 120.2 | 166.2 | -174.1 | 0 | 0 | 0 | 0 | 106.5 | Q162 E166 | Q162-S164 PolarHBondContact O-N 3.03Å; Q162-S164 VanDerWaalsContact O-N 3.14Å; S164-E166 PolarHBondContact O-N 2.74Å | ||
| 165 | F | 50.3 | Low | 53.9 | Low | 158 Ų | 158 | 115.9 Ų | 115.9 | 69% | 0.693 | 64% | 0.64 | S | S | * | * | trans | -70.9 | 77.7 | 177.1 | -88.1 | -96.7 | 0 | 0 | 0 | 108.6 | S163 K204 | S163-F165 PolarHBondContact O-N 2.88Å; F165-K204 WeakPolarHBondContact O-CE 3.03Å | ||
| 166 | E | 53.3 | Low | 56 | Low | 161 Ų | 161 | 111.4 Ų | 111.4 | 75% | 0.752 | 62% | 0.616 | S | S | * | * | trans | -84.4 | 105.6 | 165.7 | -168.1 | 168.3 | 167.1 | 0 | 0 | 106.6 | S164 P168 | S164-E166 PolarHBondContact O-N 2.74Å; E166-P168 WeakPolarHBondContact O-CD 3.33Å | ||
| 167 | I | 63.8 | Low | 58.5 | Low | 13 Ų | 13 | 108.4 Ų | 108.4 | 7% | 0.067 | 59% | 0.59 | C | S | . | * | trans | -67.9 | 126.8 | 175.7 | -68.2 | 77.8 | 0 | 0 | 0 | 106 | D169 V171 R203 K204 L207 | I167-D169 PolarHBondContact O-N 2.88Å; I167-V171 HydrophobicContact CG2-CB 3.91Å; I167-V171 HydrophobicContact CG2-CG2 3.94Å; I167-R203 HydrophobicContact CG1-CB 4.25Å; I167-R203 HydrophobicContact CG2-CB 4.34Å; I167-K204 HydrophobicContact CD1-CB 4.44Å; I167-K204 HydrophobicContact CD1-CD 4.11Å; I167-K204 HydrophobicContact CD1-CG 3.29Å; I167-L207 HydrophobicContact CG1-CD1 4.49Å; I167-L207 HydrophobicContact CG1-CD2 4.13Å | ||
| 168 | P | 63.9 | Low | 60.8 | Low | 85 Ų | 85 | 108 Ų | 108 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | trans | -50.8 | 134.4 | 173.4 | -27.1 | 35.3 | 0 | 0 | 0 | 110.6 | E166 D170 V171 R203 | E166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-D170 HydrophobicContact CB-CB 4.33Å; P168-D170 PolarHBondContact O-N 3.46Å; P168-V171 PolarHBondContact O-N 3.38Å; P168-V171 VanDerWaalsContact O-N 3.09Å; P168-R203 PolarHBondContact O-NH1 3.09Å | ||
| 169 | D | 61.2 | Low | 63.2 | Low | 94 Ų | 94 | 102.1 Ų | 102.1 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -8.1 | 176.7 | -89.3 | -36.8 | 0 | 0 | 0 | 113 | I167 R187 | I167-D169 PolarHBondContact O-N 2.88Å; D169-R187 VanDerWaalsContact CG-NH1 3.28Å; D169-R187 IonicContact OD1-CZ 3.28Å; D169-R187 IonicContact OD1-NH1 2.71Å; D169-R187 PolarHBondContact OD1-NH1 2.93Å; D169-R187 IonicContact OD1-NH2 3.04Å; D169-R187 IonicContact OD2-CZ 3.39Å; D169-R187 IonicContact OD2-NH1 3.78Å; D169-R187 PolarHBondContact OD2-NH1 2.83Å; D169-R187 IonicContact OD2-NH2 3.95Å; D169-R187 PolarHBondContact OD2-NH2 3.16Å |
| 170 | D | 61.4 | Low | 65.4 | Low | 153 Ų | 153 | 95.5 Ų | 95.5 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17.6 | 174.8 | -158.6 | 41.5 | 0 | 0 | 0 | 114.6 | P168 P172 | P168-D170 HydrophobicContact CB-CB 4.33Å; P168-D170 PolarHBondContact O-N 3.46Å; D170-P172 WeakPolarHBondContact O-CD 3.19Å |
| 171 | V | 74.1 | Confident | 67.3 | Low | 62 Ų | 62 | 94.7 Ų | 94.7 | 38% | 0.376 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -81.7 | 117.5 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | I167 P168 R203 | I167-V171 HydrophobicContact CG2-CB 3.91Å; I167-V171 HydrophobicContact CG2-CG2 3.94Å; P168-V171 PolarHBondContact O-N 3.38Å; P168-V171 VanDerWaalsContact O-N 3.09Å; V171-R203 WeakPolarHBondContact O-CD 3.26Å; V171-R203 PolarHBondContact O-NH1 3.14Å |
| 172 | P | 79.3 | Confident | 69.3 | Low | 108 Ų | 108 | 86.1 Ų | 86.1 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -61 | 146 | -179.9 | 25.2 | -33.9 | 0 | 0 | 0 | 111.7 | D170 | D170-P172 WeakPolarHBondContact O-CD 3.19Š|
| 173 | L | 84.2 | Confident | 71 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 28% | 0.283 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 148.9 | 172 | -74.6 | 135.2 | 0 | 0 | 0 | 110.2 | W177 M179 F189 P202 | L173-W177 HydrophobicContact CB-CB 4.18Å; L173-W177 HydrophobicContact CD2-CB 4.29Å; L173-M179 HydrophobicContact CD1-CB 3.78Å; L173-M179 HydrophobicContact CD2-CB 4.48Å; L173-F189 HydrophobicContact CD2-CD1 3.6Å; L173-F189 HydrophobicContact CD2-CE1 3.86Å; L173-P202 HydrophobicContact CD2-CG 4.17Å |
| 174 | P | 84.5 | Confident | 73 | Confident | 36 Ų | 36 | 84.4 Ų | 84.4 | 23% | 0.234 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 155 | 175.5 | -23.2 | 34.4 | 0 | 0 | 0 | 111.9 | G176 W177 P202 | P174-G176 PolarHBondContact O-N 3.01Å; P174-W177 HydrophobicContact CB-CG 4.33Å; P174-W177 WeakPolarHBondContact O-CB 3.42Å; P174-W177 PolarHBondContact O-N 3.24Å; P174-P202 HydrophobicContact CG-CB 4.11Å; P174-P202 HydrophobicContact CG-CG 4.07Å |
| 175 | A | 79.4 | Confident | 75 | Confident | 89 Ų | 89 | 81.8 Ų | 81.8 | 74% | 0.736 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 131.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W177 I193 | A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.46Å; A175-I193 VanDerWaalsContact O-CD1 3.3Å; A175-I193 WeakPolarHBondContact O-CD1 3.44Å |
| 176 | G | 80.4 | Confident | 76.1 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -3.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P174 H192 | P174-G176 PolarHBondContact O-N 3.01Å; G176-H192 WeakPolarHBondContact O-CB 3.29Å; G176-H192 PolarHBondContact O-CD2 3.28Å; G176-H192 PolarHBondContact O-N 3.07Å |
| 177 | W | 86.4 | Confident | 77.6 | Confident | 66 Ų | 66 | 76.4 Ų | 76.4 | 25% | 0.25 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.6 | 176.3 | -69.5 | 72.8 | 0 | 0 | 0 | 112.3 | L173 P174 A175 F189 L190 N191 T198 P202 | L173-W177 HydrophobicContact CB-CB 4.18Å; L173-W177 HydrophobicContact CD2-CB 4.29Å; P174-W177 HydrophobicContact CB-CG 4.33Å; P174-W177 WeakPolarHBondContact O-CB 3.42Å; P174-W177 PolarHBondContact O-N 3.24Å; A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.46Å; W177-F189 HydrophobicContact CE3-CB 4.08Å; W177-F189 HydrophobicContact CZ3-CB 4.19Å; W177-L190 CarbonylContact C-O 3.54Å; W177-L190 VanDerWaalsContact CA-O 3.31Å; W177-L190 WeakPolarHBondContact CA-O 3.31Å; W177-N191 HydrophobicContact CD2-CB 3.91Å; W177-N191 HydrophobicContact CE3-CB 4.06Å; W177-N191 HydrophobicContact CH2-CB 4.05Å; W177-N191 HydrophobicContact CZ2-CB 3.85Å; W177-N191 HydrophobicContact CZ3-CB 4.14Å; W177-T198 HydrophobicContact CH2-CG2 4.05Å; W177-T198 HydrophobicContact CZ3-CG2 3.58Å; W177-P202 HydrophobicContact CB-CG 4.28Å; W177-P202 HydrophobicContact CD2-CB 3.76Å; W177-P202 HydrophobicContact CD2-CG 3.6Å; W177-P202 HydrophobicContact CE3-CB 3.77Å; W177-P202 HydrophobicContact CE3-CG 3.45Å; W177-P202 VanDerWaalsContact CE3-CG 3.45Å; W177-P202 HydrophobicContact CG-CB 4.39Å; W177-P202 HydrophobicContact CG-CG 3.99Å; W177-P202 HydrophobicContact CH2-CB 4Å; W177-P202 HydrophobicContact CZ2-CB 4.02Å; W177-P202 HydrophobicContact CZ3-CB 3.87Å; W177-P202 HydrophobicContact CZ3-CG 3.95Å |
| 178 | E | 87.8 | Confident | 78.4 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.1 | 176.1 | -179.3 | 178.8 | 160.2 | 0 | 0 | 110.2 | F189 L190 H192 | E178-F189 CarbonylContact O-C 3.57Å; E178-F189 VanDerWaalsContact O-CA 3.23Å; E178-F189 WeakPolarHBondContact O-CA 3.39Å; E178-L190 HydrophobicContact CB-CB 4.49Å; E178-L190 HydrophobicContact CB-CD1 4.43Å; E178-L190 HydrophobicContact CG-CD1 4.46Å; E178-L190 PolarHBondContact N-O 3.46Å; E178-L190 PolarHBondContact O-N 3.36Å; E178-H192 IonicContact OE2-CD2 3.84Å; E178-H192 IonicContact OE2-CE1 3.4Å; E178-H192 PolarHBondContact OE2-CE1 3.5Å; E178-H192 IonicContact OE2-NE2 2.75Å; E178-H192 PolarHBondContact OE2-NE2 3.26Å |
| 179 | M | 87.2 | Confident | 79.6 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 29% | 0.291 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.2 | 168.2 | 177.9 | -171.4 | 61.1 | 0 | 0 | 109.6 | L173 R187 F189 | L173-M179 HydrophobicContact CD1-CB 3.78Å; L173-M179 HydrophobicContact CD2-CB 4.48Å; M179-R187 HydrophobicContact CG-CB 4.48Å; M179-R187 HydrophobicContact SD-CB 4.43Å; M179-R187 HydrophobicContact SD-CG 4.17Å; M179-R187 PolarHBondContact SD-NH1 2.82Å; M179-F189 HydrophobicContact CB-CD1 3.89Å; M179-F189 HydrophobicContact CB-CE1 3.83Å; M179-F189 HydrophobicContact CG-CD1 4.16Å; M179-F189 HydrophobicContact CG-CE1 3.78Å; M179-F189 HydrophobicContact CG-CZ 4.39Å; M179-F189 HydrophobicContact SD-CE1 4.23Å |
| 180 | A | 82.1 | Confident | 80.6 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R187 Y188 L190 | A180-R187 WeakPolarHBondContact O-CA 3.15Å; A180-Y188 HydrophobicContact CB-CD1 4.13Å; A180-Y188 HydrophobicContact CB-CD2 4.5Å; A180-Y188 HydrophobicContact CB-CE1 3.54Å; A180-Y188 HydrophobicContact CB-CE2 3.97Å; A180-Y188 VanDerWaalsContact CB-CZ 3.45Å; A180-Y188 PolarHBondContact N-O 3.41Å; A180-Y188 PolarHBondContact O-N 3.36Å; A180-Y188 VanDerWaalsContact O-O 3.09Å; A180-L190 HydrophobicContact CB-CD1 3.43Å; A180-L190 VanDerWaalsContact CB-CD1 3.43Å |
| 181 | K | 82.6 | Confident | 81.7 | Confident | 129 Ų | 129 | 65.7 Ų | 65.7 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.6 | 177 | -64.7 | 175.5 | -174.8 | 172.4 | 0 | 109.7 | Q186 R187 | K181-Q186 CarbonylContact C-O 3.5Å; K181-Q186 VanDerWaalsContact CA-O 3.31Å; K181-Q186 WeakPolarHBondContact CA-O 3.23Å; K181-R187 HydrophobicContact CG-CG 4.33Å |
| 182 | T | 80.9 | Confident | 81.7 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | trans | -71.1 | 170.3 | 170.6 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | S184 G185 Q186 Y188 W199 | T182-S184 PolarHBondContact O-N 3.37Å; T182-S184 VanDerWaalsContact O-N 3.16Å; T182-S184 PolarHBondContact OG1-N 2.9Å; T182-S184 PolarHBondContact OG1-OG 2.98Å; T182-G185 WeakPolarHBondContact O-CA 3.45Å; T182-G185 PolarHBondContact O-N 3.26Å; T182-Q186 PolarHBondContact N-O 3.08Å; T182-Q186 PolarHBondContact OG1-N 2.63Å; T182-Q186 PolarHBondContact OG1-O 2.84Å; T182-Y188 HydrophobicContact CG2-CD1 3.83Å; T182-Y188 HydrophobicContact CG2-CE1 4.02Å; T182-W199 HydrophobicContact CG2-CH2 3.57Å; T182-W199 HydrophobicContact CG2-CZ3 3.91Å | ||
| 183 | S | 72.1 | Confident | 81.5 | Confident | 140 Ų | 140 | 67.6 Ų | 67.6 | 98% | 0.979 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19 | 170.5 | 52 | 0 | 0 | 0 | 0 | 113.9 | ||
| 184 | S | 79.3 | Confident | 81.3 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 59% | 0.594 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.5 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | T182 Q186 | T182-S184 PolarHBondContact O-N 3.37Å; T182-S184 VanDerWaalsContact O-N 3.16Å; T182-S184 PolarHBondContact OG1-N 2.9Å; T182-S184 PolarHBondContact OG1-OG 2.98Å; S184-Q186 VanDerWaalsContact C-N 3.28Å; S184-Q186 PolarHBondContact O-N 2.82Å |
| 185 | G | 79.9 | Confident | 80.9 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | trans | 78.6 | 2.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T182 R187 | T182-G185 WeakPolarHBondContact O-CA 3.45Å; T182-G185 PolarHBondContact O-N 3.26Å; G185-R187 PolarHBondContact O-N 3.41Å | ||
| 186 | Q | 73.9 | Confident | 80.6 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | trans | -70.3 | 129.6 | 176.6 | -65.7 | 177.5 | -21.7 | 0 | 0 | 109.9 | K181 T182 S184 W199 | K181-Q186 CarbonylContact C-O 3.5Å; K181-Q186 VanDerWaalsContact CA-O 3.31Å; K181-Q186 WeakPolarHBondContact CA-O 3.23Å; T182-Q186 PolarHBondContact N-O 3.08Å; T182-Q186 PolarHBondContact OG1-N 2.63Å; T182-Q186 PolarHBondContact OG1-O 2.84Å; S184-Q186 VanDerWaalsContact C-N 3.28Å; S184-Q186 PolarHBondContact O-N 2.82Å; Q186-W199 HydrophobicContact CB-CZ3 3.72Å | ||
| 187 | R | 84.6 | Confident | 80.7 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133 | 177.1 | -61.8 | 176.7 | -178.6 | -141.9 | 13.9 | 109.6 | D169 M179 A180 K181 G185 | D169-R187 VanDerWaalsContact CG-NH1 3.28Å; D169-R187 IonicContact OD1-CZ 3.28Å; D169-R187 IonicContact OD1-NH1 2.71Å; D169-R187 PolarHBondContact OD1-NH1 2.93Å; D169-R187 IonicContact OD1-NH2 3.04Å; D169-R187 IonicContact OD2-CZ 3.39Å; D169-R187 IonicContact OD2-NH1 3.78Å; D169-R187 PolarHBondContact OD2-NH1 2.83Å; D169-R187 IonicContact OD2-NH2 3.95Å; D169-R187 PolarHBondContact OD2-NH2 3.16Å; M179-R187 HydrophobicContact CG-CB 4.48Å; M179-R187 HydrophobicContact SD-CB 4.43Å; M179-R187 HydrophobicContact SD-CG 4.17Å; M179-R187 PolarHBondContact SD-NH1 2.82Å; A180-R187 WeakPolarHBondContact O-CA 3.15Å; K181-R187 HydrophobicContact CG-CG 4.33Å; G185-R187 PolarHBondContact O-N 3.41Å |
| 188 | Y | 81.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 73.3 Ų | 73.3 | 25% | 0.247 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.7 | 169.3 | 71.1 | -80.3 | 0 | 0 | 0 | 109.4 | A180 T182 L190 T197 | A180-Y188 HydrophobicContact CB-CD1 4.13Å; A180-Y188 HydrophobicContact CB-CD2 4.5Å; A180-Y188 HydrophobicContact CB-CE1 3.54Å; A180-Y188 HydrophobicContact CB-CE2 3.97Å; A180-Y188 VanDerWaalsContact CB-CZ 3.45Å; A180-Y188 PolarHBondContact N-O 3.41Å; A180-Y188 PolarHBondContact O-N 3.36Å; A180-Y188 VanDerWaalsContact O-O 3.09Å; T182-Y188 HydrophobicContact CG2-CD1 3.83Å; T182-Y188 HydrophobicContact CG2-CE1 4.02Å; Y188-L190 HydrophobicContact CD2-CD1 3.98Å; Y188-L190 HydrophobicContact CD2-CG 4.21Å; Y188-L190 HydrophobicContact CE2-CD1 3.52Å; Y188-L190 HydrophobicContact CE2-CD2 4.15Å; Y188-L190 HydrophobicContact CE2-CG 3.75Å; Y188-T197 HydrophobicContact CE2-CG2 4.49Å |
| 189 | F | 89 | Confident | 80.4 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 4% | 0.044 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.4 | -174.4 | -55.6 | -86.7 | 0 | 0 | 0 | 109.4 | L173 W177 E178 M179 T197 T198 D201 | L173-F189 HydrophobicContact CD2-CD1 3.6Å; L173-F189 HydrophobicContact CD2-CE1 3.86Å; W177-F189 HydrophobicContact CE3-CB 4.08Å; W177-F189 HydrophobicContact CZ3-CB 4.19Å; E178-F189 CarbonylContact O-C 3.57Å; E178-F189 VanDerWaalsContact O-CA 3.23Å; E178-F189 WeakPolarHBondContact O-CA 3.39Å; M179-F189 HydrophobicContact CB-CD1 3.89Å; M179-F189 HydrophobicContact CB-CE1 3.83Å; M179-F189 HydrophobicContact CG-CD1 4.16Å; M179-F189 HydrophobicContact CG-CE1 3.78Å; M179-F189 HydrophobicContact CG-CZ 4.39Å; M179-F189 HydrophobicContact SD-CE1 4.23Å; F189-T197 CarbonylContact O-C 3.6Å; F189-T197 WeakPolarHBondContact O-CA 3.23Å; F189-T198 HydrophobicContact CB-CG2 4.21Å; F189-T198 PolarHBondContact N-O 3.03Å; F189-T198 PolarHBondContact O-N 3.27Å; F189-D201 HydrophobicContact CD2-CB 4.32Å; F189-D201 HydrophobicContact CE1-CB 4.13Å; F189-D201 VanDerWaalsContact CE2-CA 3.42Å; F189-D201 HydrophobicContact CE2-CB 3.61Å; F189-D201 HydrophobicContact CZ-CB 3.49Å; F189-D201 VanDerWaalsContact CZ-CB 3.49Å |
| 190 | L | 82.8 | Confident | 80.2 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.3 | 173.7 | -54.3 | 89.5 | 0 | 0 | 0 | 108.2 | W177 E178 A180 Y188 T196 T197 | W177-L190 CarbonylContact C-O 3.54Å; W177-L190 VanDerWaalsContact CA-O 3.31Å; W177-L190 WeakPolarHBondContact CA-O 3.31Å; E178-L190 HydrophobicContact CB-CB 4.49Å; E178-L190 HydrophobicContact CB-CD1 4.43Å; E178-L190 HydrophobicContact CG-CD1 4.46Å; E178-L190 PolarHBondContact N-O 3.46Å; E178-L190 PolarHBondContact O-N 3.36Å; A180-L190 HydrophobicContact CB-CD1 3.43Å; A180-L190 VanDerWaalsContact CB-CD1 3.43Å; Y188-L190 HydrophobicContact CD2-CD1 3.98Å; Y188-L190 HydrophobicContact CD2-CG 4.21Å; Y188-L190 HydrophobicContact CE2-CD1 3.52Å; Y188-L190 HydrophobicContact CE2-CD2 4.15Å; Y188-L190 HydrophobicContact CE2-CG 3.75Å; L190-T196 WeakPolarHBondContact CA-O 3.33Å; L190-T197 HydrophobicContact CB-CG2 4.44Å; L190-T197 HydrophobicContact CD2-CG2 4.1Å; L190-T197 HydrophobicContact CG-CG2 3.94Å |
| 191 | N | 83.9 | Confident | 80.3 | Confident | 11 Ų | 11 | 76.5 Ų | 76.5 | 6% | 0.059 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 108.4 | 168.9 | 179.7 | 9.7 | 0 | 0 | 0 | 108.7 | W177 I193 D194 Q195 T196 | W177-N191 HydrophobicContact CD2-CB 3.91Å; W177-N191 HydrophobicContact CE3-CB 4.06Å; W177-N191 HydrophobicContact CH2-CB 4.05Å; W177-N191 HydrophobicContact CZ2-CB 3.85Å; W177-N191 HydrophobicContact CZ3-CB 4.14Å; N191-I193 PolarHBondContact O-N 2.83Å; N191-I193 WeakPolarHBondContact OD1-CB 3.36Å; N191-I193 PolarHBondContact OD1-N 3.02Å; N191-D194 VanDerWaalsContact CB-OD1 3.23Å; N191-D194 WeakPolarHBondContact CB-OD1 3.47Å; N191-D194 VanDerWaalsContact CG-OD1 3.23Å; N191-D194 PolarHBondContact ND2-OD1 3.33Å; N191-D194 VanDerWaalsContact ND2-OD1 3.08Å; N191-D194 PolarHBondContact ND2-OD2 3.39Å; N191-Q195 WeakPolarHBondContact O-CA 3.48Å; N191-Q195 PolarHBondContact O-N 3.25Å; N191-T196 PolarHBondContact N-O 3.45Å; N191-T196 PolarHBondContact O-N 3.11Å |
| 192 | H | 73.7 | Confident | 80.2 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 39% | 0.389 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.5 | 179.9 | -68.1 | -79.9 | 0 | 0 | 0 | 113.4 | G176 E178 Q195 | G176-H192 WeakPolarHBondContact O-CB 3.29Å; G176-H192 PolarHBondContact O-CD2 3.28Å; G176-H192 PolarHBondContact O-N 3.07Å; E178-H192 IonicContact OE2-CD2 3.84Å; E178-H192 IonicContact OE2-CE1 3.4Å; E178-H192 PolarHBondContact OE2-CE1 3.5Å; E178-H192 IonicContact OE2-NE2 2.75Å; E178-H192 PolarHBondContact OE2-NE2 3.26Å; H192-Q195 PolarHBondContact O-NE2 3.28Å |
| 193 | I | 76.2 | Confident | 80.2 | Confident | 127 Ų | 127 | 70 Ų | 70 | 65% | 0.651 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -41.8 | 179.5 | -59.5 | 167 | 0 | 0 | 0 | 111 | A175 N191 | A175-I193 VanDerWaalsContact O-CD1 3.3Å; A175-I193 WeakPolarHBondContact O-CD1 3.44Å; N191-I193 PolarHBondContact O-N 2.83Å; N191-I193 WeakPolarHBondContact OD1-CB 3.36Å; N191-I193 PolarHBondContact OD1-N 3.02Å |
| 194 | D | 79.2 | Confident | 80.4 | Confident | 86 Ų | 86 | 67 Ų | 67 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -0.9 | 179 | 61.1 | 18.6 | 0 | 0 | 0 | 113.4 | N191 T196 | N191-D194 VanDerWaalsContact CB-OD1 3.23Å; N191-D194 WeakPolarHBondContact CB-OD1 3.47Å; N191-D194 VanDerWaalsContact CG-OD1 3.23Å; N191-D194 PolarHBondContact ND2-OD1 3.33Å; N191-D194 VanDerWaalsContact ND2-OD1 3.08Å; N191-D194 PolarHBondContact ND2-OD2 3.39Å; D194-T196 HydrophobicContact CB-CG2 4.19Å; D194-T196 VanDerWaalsContact CG-OG1 3.29Å; D194-T196 PolarHBondContact O-N 3.13Å; D194-T196 VanDerWaalsContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CB 3.25Å; D194-T196 VanDerWaalsContact OD1-CG2 3.31Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.44Å; D194-T196 PolarHBondContact OD1-N 2.79Å; D194-T196 PolarHBondContact OD1-OG1 2.89Å; D194-T196 PolarHBondContact OD2-OG1 3.44Å |
| 195 | Q | 76.8 | Confident | 80.1 | Confident | 147 Ų | 147 | 66.1 Ų | 66.1 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 32.2 | -177 | -60.7 | -68 | -29.6 | 0 | 0 | 113.4 | N191 H192 | N191-Q195 WeakPolarHBondContact O-CA 3.48Å; N191-Q195 PolarHBondContact O-N 3.25Å; H192-Q195 PolarHBondContact O-NE2 3.28Å |
| 196 | T | 72.8 | Confident | 79.5 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 163.5 | 176.4 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | L190 N191 D194 | L190-T196 WeakPolarHBondContact CA-O 3.33Å; N191-T196 PolarHBondContact N-O 3.45Å; N191-T196 PolarHBondContact O-N 3.11Å; D194-T196 HydrophobicContact CB-CG2 4.19Å; D194-T196 VanDerWaalsContact CG-OG1 3.29Å; D194-T196 PolarHBondContact O-N 3.13Å; D194-T196 VanDerWaalsContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CB 3.25Å; D194-T196 VanDerWaalsContact OD1-CG2 3.31Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.44Å; D194-T196 PolarHBondContact OD1-N 2.79Å; D194-T196 PolarHBondContact OD1-OG1 2.89Å; D194-T196 PolarHBondContact OD2-OG1 3.44Å |
| 197 | T | 81.4 | Confident | 79.1 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 47% | 0.466 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.6 | 170.1 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | Y188 F189 L190 | Y188-T197 HydrophobicContact CE2-CG2 4.49Å; F189-T197 CarbonylContact O-C 3.6Å; F189-T197 WeakPolarHBondContact O-CA 3.23Å; L190-T197 HydrophobicContact CB-CG2 4.44Å; L190-T197 HydrophobicContact CD2-CG2 4.1Å; L190-T197 HydrophobicContact CG-CG2 3.94Å |
| 198 | T | 81.5 | Confident | 78 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 23% | 0.233 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 153.4 | -179.3 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | W177 F189 Q200 | W177-T198 HydrophobicContact CH2-CG2 4.05Å; W177-T198 HydrophobicContact CZ3-CG2 3.58Å; F189-T198 HydrophobicContact CB-CG2 4.21Å; F189-T198 PolarHBondContact N-O 3.03Å; F189-T198 PolarHBondContact O-N 3.27Å; T198-Q200 WeakPolarHBondContact CG2-O 3.41Å; T198-Q200 PolarHBondContact OG1-N 3.31Å; T198-Q200 VanDerWaalsContact OG1-N 3.16Å |
| 199 | W | 87.1 | Confident | 76.8 | Confident | 113 Ų | 113 | 72.3 Ų | 72.3 | 43% | 0.428 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -89.8 | -9.6 | 173.7 | -51.4 | 86.5 | 0 | 0 | 0 | 112.5 | T182 Q186 M240 | T182-W199 HydrophobicContact CG2-CH2 3.57Å; T182-W199 HydrophobicContact CG2-CZ3 3.91Å; Q186-W199 HydrophobicContact CB-CZ3 3.72Å; W199-M240 HydrophobicContact CB-CE 3.5Å; W199-M240 VanDerWaalsContact CD1-CE 3.46Å; W199-M240 HydrophobicContact CG-CE 3.81Å |
| 200 | Q | 82.8 | Confident | 75.1 | Confident | 110 Ų | 110 | 79.6 Ų | 79.6 | 51% | 0.514 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -89.2 | 124.2 | 179.6 | -158.4 | 68 | 28 | 0 | 0 | 110.3 | T198 | T198-Q200 WeakPolarHBondContact CG2-O 3.41Å; T198-Q200 PolarHBondContact OG1-N 3.31Å; T198-Q200 VanDerWaalsContact OG1-N 3.16Å |
| 201 | D | 84.2 | Confident | 73.4 | Confident | 11 Ų | 11 | 84.3 Ų | 84.3 | 6% | 0.059 | 44% | 0.438 | C | S | . | . | trans | -62.9 | 122.8 | 176.8 | -169.9 | -35 | 0 | 0 | 0 | 110.6 | F189 R203 K204 | F189-D201 HydrophobicContact CD2-CB 4.32Å; F189-D201 HydrophobicContact CE1-CB 4.13Å; F189-D201 VanDerWaalsContact CE2-CA 3.42Å; F189-D201 HydrophobicContact CE2-CB 3.61Å; F189-D201 HydrophobicContact CZ-CB 3.49Å; F189-D201 VanDerWaalsContact CZ-CB 3.49Å; D201-R203 PolarHBondContact O-N 3.46Å; D201-R203 VanDerWaalsContact O-N 3.15Å; D201-R203 WeakPolarHBondContact OD1-CB 3.5Å; D201-R203 WeakPolarHBondContact OD1-CG 3.28Å; D201-R203 PolarHBondContact OD1-N 3.17Å; D201-R203 IonicContact OD1-NE 3.92Å; D201-R203 PolarHBondContact OD1-NE 3.29Å; D201-R203 IonicContact OD2-CZ 3.36Å; D201-R203 VanDerWaalsContact OD2-CZ 3.27Å; D201-R203 IonicContact OD2-NE 2.72Å; D201-R203 PolarHBondContact OD2-NE 3.38Å; D201-R203 IonicContact OD2-NH2 2.75Å; D201-R203 PolarHBondContact OD2-NH2 2.95Å; D201-K204 HydrophobicContact CB-CD 4.09Å; D201-K204 HydrophobicContact CB-CG 4.11Å; D201-K204 WeakPolarHBondContact O-CB 3.3Å; D201-K204 PolarHBondContact O-N 2.99Å | ||
| 202 | P | 80.8 | Confident | 71.5 | Confident | 18 Ų | 18 | 89.5 Ų | 89.5 | 12% | 0.117 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.2 | -26.9 | -180 | 29.1 | -39.9 | 0 | 0 | 0 | 112.4 | L173 P174 W177 K204 A205 M206 | L173-P202 HydrophobicContact CD2-CG 4.17Å; P174-P202 HydrophobicContact CG-CB 4.11Å; P174-P202 HydrophobicContact CG-CG 4.07Å; W177-P202 HydrophobicContact CB-CG 4.28Å; W177-P202 HydrophobicContact CD2-CB 3.76Å; W177-P202 HydrophobicContact CD2-CG 3.6Å; W177-P202 HydrophobicContact CE3-CB 3.77Å; W177-P202 HydrophobicContact CE3-CG 3.45Å; W177-P202 VanDerWaalsContact CE3-CG 3.45Å; W177-P202 HydrophobicContact CG-CB 4.39Å; W177-P202 HydrophobicContact CG-CG 3.99Å; W177-P202 HydrophobicContact CH2-CB 4Å; W177-P202 HydrophobicContact CZ2-CB 4.02Å; W177-P202 HydrophobicContact CZ3-CB 3.87Å; W177-P202 HydrophobicContact CZ3-CG 3.95Å; P202-K204 PolarHBondContact O-N 3.11Å; P202-A205 PolarHBondContact O-N 3.37Å; P202-M206 PolarHBondContact O-N 2.72Å |
| 203 | R | 80.1 | Confident | 70 | Confident | 13 Ų | 13 | 92 Ų | 92 | 5% | 0.049 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.3 | -32.8 | 175.8 | -55.8 | 174.4 | -65.6 | 170 | 6.3 | 110.8 | I167 P168 V171 D201 A205 M206 L207 | I167-R203 HydrophobicContact CG1-CB 4.25Å; I167-R203 HydrophobicContact CG2-CB 4.34Å; P168-R203 PolarHBondContact O-NH1 3.09Å; V171-R203 WeakPolarHBondContact O-CD 3.26Å; V171-R203 PolarHBondContact O-NH1 3.14Å; D201-R203 PolarHBondContact O-N 3.46Å; D201-R203 VanDerWaalsContact O-N 3.15Å; D201-R203 WeakPolarHBondContact OD1-CB 3.5Å; D201-R203 WeakPolarHBondContact OD1-CG 3.28Å; D201-R203 PolarHBondContact OD1-N 3.17Å; D201-R203 IonicContact OD1-NE 3.92Å; D201-R203 PolarHBondContact OD1-NE 3.29Å; D201-R203 IonicContact OD2-CZ 3.36Å; D201-R203 VanDerWaalsContact OD2-CZ 3.27Å; D201-R203 IonicContact OD2-NE 2.72Å; D201-R203 PolarHBondContact OD2-NE 3.38Å; D201-R203 IonicContact OD2-NH2 2.75Å; D201-R203 PolarHBondContact OD2-NH2 2.95Å; R203-A205 PolarHBondContact O-N 2.84Å; R203-M206 PolarHBondContact O-N 2.78Å; R203-L207 HydrophobicContact CB-CD1 4.33Å; R203-L207 WeakPolarHBondContact O-CD1 3.34Å; R203-L207 PolarHBondContact O-N 3.35Å |
| 204 | K | 77.6 | Confident | 68 | Low | 76 Ų | 76 | 90 Ų | 90 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.6 | -73.3 | 176 | 179 | -170.9 | 0 | 112.4 | F165 I167 D201 P202 S208 | F165-K204 WeakPolarHBondContact O-CE 3.03Å; I167-K204 HydrophobicContact CD1-CB 4.44Å; I167-K204 HydrophobicContact CD1-CD 4.11Å; I167-K204 HydrophobicContact CD1-CG 3.29Å; D201-K204 HydrophobicContact CB-CD 4.09Å; D201-K204 HydrophobicContact CB-CG 4.11Å; D201-K204 WeakPolarHBondContact O-CB 3.3Å; D201-K204 PolarHBondContact O-N 2.99Å; P202-K204 PolarHBondContact O-N 3.11Å; K204-S208 WeakPolarHBondContact O-CB 3.27Å; K204-S208 PolarHBondContact O-N 2.74Å; K204-S208 VanDerWaalsContact O-N 3.13Å; K204-S208 PolarHBondContact O-OG 2.98Å |
| 205 | A | 72.6 | Confident | 66.4 | Low | 68 Ų | 68 | 92.3 Ų | 92.3 | 56% | 0.562 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P202 R203 Q209 | P202-A205 PolarHBondContact O-N 3.37Å; R203-A205 PolarHBondContact O-N 2.84Å; A205-Q209 PolarHBondContact O-N 3.46Å |
| 206 | M | 67.2 | Low | 64.6 | Low | 117 Ų | 117 | 91 Ų | 91 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -48.9 | 176.3 | -107.8 | -176.9 | 158.3 | 0 | 0 | 113 | P202 R203 S208 Q209 | P202-M206 PolarHBondContact O-N 2.72Å; R203-M206 PolarHBondContact O-N 2.78Å; M206-S208 VanDerWaalsContact C-N 3.28Å; M206-S208 PolarHBondContact O-N 2.86Å; M206-Q209 WeakPolarHBondContact O-CB 3.1Å; M206-Q209 PolarHBondContact O-N 3.2Å |
| 207 | L | 66.6 | Low | 62.8 | Low | 78 Ų | 78 | 93.9 Ų | 93.9 | 41% | 0.408 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 179.6 | -89.7 | 79.2 | 0 | 0 | 0 | 112.1 | I167 R203 Q209 M210 | I167-L207 HydrophobicContact CG1-CD1 4.49Å; I167-L207 HydrophobicContact CG1-CD2 4.13Å; R203-L207 HydrophobicContact CB-CD1 4.33Å; R203-L207 WeakPolarHBondContact O-CD1 3.34Å; R203-L207 PolarHBondContact O-N 3.35Å; L207-Q209 PolarHBondContact O-N 2.73Å; L207-M210 PolarHBondContact O-N 3.22Å |
| 208 | S | 60.5 | Low | 61 | Low | 94 Ų | 94 | 95.7 Ų | 95.7 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.2 | -25.4 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | K204 M206 | K204-S208 WeakPolarHBondContact O-CB 3.27Å; K204-S208 PolarHBondContact O-N 2.74Å; K204-S208 VanDerWaalsContact O-N 3.13Å; K204-S208 PolarHBondContact O-OG 2.98Å; M206-S208 VanDerWaalsContact C-N 3.28Å; M206-S208 PolarHBondContact O-N 2.86Å |
| 209 | Q | 56.3 | Low | 59.2 | Low | 156 Ų | 156 | 100.1 Ų | 100.1 | 73% | 0.729 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -84.3 | -18.8 | -177.9 | -156.8 | 169.1 | 93 | 0 | 0 | 113.2 | A205 M206 L207 | A205-Q209 PolarHBondContact O-N 3.46Å; M206-Q209 WeakPolarHBondContact O-CB 3.1Å; M206-Q209 PolarHBondContact O-N 3.2Å; L207-Q209 PolarHBondContact O-N 2.73Å |
| 210 | M | 52.8 | Low | 57 | Low | 162 Ų | 162 | 100.4 Ų | 100.4 | 80% | 0.798 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -88.7 | -7 | -179.6 | -75.2 | -176.4 | 172.8 | 0 | 0 | 115 | L207 V212 | L207-M210 PolarHBondContact O-N 3.22Å; M210-V212 VanDerWaalsContact C-N 3.29Å; M210-V212 PolarHBondContact O-N 2.69Å |
| 211 | N | 48.3 | Very low | 55.1 | Low | 136 Ų | 136 | 102.9 Ų | 102.9 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | trans | -88.6 | 33.4 | -175.4 | -164.1 | 62.5 | 0 | 0 | 0 | 114.5 | T213 | N211-T213 PolarHBondContact O-N 3.4Š| ||
| 212 | V | 42.3 | Very low | 53.1 | Low | 120 Ų | 120 | 111.3 Ų | 111.3 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -95.5 | 62 | -172.7 | -70 | 0 | 0 | 0 | 0 | 114.1 | M210 | M210-V212 VanDerWaalsContact C-N 3.29Å; M210-V212 PolarHBondContact O-N 2.69Å | ||
| 213 | T | 43.6 | Very low | 51.1 | Low | 137 Ų | 137 | 116.5 Ų | 116.5 | 84% | 0.84 | 67% | 0.672 | S | S | * | * | trans | -138.4 | 67.7 | 169.9 | 31.4 | 0 | 0 | 0 | 0 | 113.4 | N211 | N211-T213 PolarHBondContact O-N 3.4Š| ||
| 214 | A | 34.2 | Very low | 49.1 | Very low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | trans | -162.9 | 117.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T216 | A214-T216 PolarHBondContact O-N 3.08Š| ||
| 215 | P | 44.9 | Very low | 47.5 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | trans | -96 | 71.1 | -177.6 | 37.1 | -34.2 | 0 | 0 | 0 | 112.9 | ||||
| 216 | T | 38.4 | Very low | 46.1 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -145.7 | 129.6 | 167.3 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | A214 | A214-T216 PolarHBondContact O-N 3.08Š| ||
| 217 | S | 36.2 | Very low | 45.5 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 81.5 | 134.9 | 171.6 | -51.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 218 | P | 44 | Very low | 44.5 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | trans | -81.9 | 125.9 | 179 | 31.7 | -33.1 | 0 | 0 | 0 | 112.3 | ||||
| 219 | P | 43.8 | Very low | 44.1 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | trans | -75.9 | 132.5 | 170.9 | 29.8 | -32.6 | 0 | 0 | 0 | 111.3 | ||||
| 220 | V | 40.3 | Very low | 44.1 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | trans | -89.4 | 113.8 | -174.7 | -162.7 | 0 | 0 | 0 | 0 | 110.8 | Q222 | V220-Q222 PolarHBondContact O-N 2.89Š| ||
| 221 | Q | 41.9 | Very low | 44.9 | Very low | 162 Ų | 162 | 118.2 Ų | 118.2 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 47.5 | 52.9 | 147 | -56.4 | 179.4 | -45.5 | 0 | 0 | 119.5 | ||
| 222 | Q | 41.8 | Very low | 46.4 | Very low | 189 Ų | 189 | 113.8 Ų | 113.8 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -118.3 | -7.6 | 160.8 | -79.7 | -171.7 | -25.5 | 0 | 0 | 115.3 | V220 | V220-Q222 PolarHBondContact O-N 2.89Š|
| 223 | N | 40.6 | Very low | 48.2 | Very low | 127 Ų | 127 | 110.7 Ų | 110.7 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -92.4 | 6.3 | -176.9 | -142.6 | 69.2 | 0 | 0 | 0 | 114.8 | M225 N226 | N223-M225 VanDerWaalsContact C-N 3.33Å; N223-M225 PolarHBondContact O-N 2.83Å; N223-N226 PolarHBondContact O-N 3.06Å |
| 224 | M | 36.8 | Very low | 49.7 | Very low | 169 Ų | 169 | 110.7 Ų | 110.7 | 83% | 0.833 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -14.9 | -171.7 | -125 | 83.8 | 169.9 | 0 | 0 | 114.7 | ||
| 225 | M | 45.2 | Very low | 51.9 | Low | 130 Ų | 130 | 108.2 Ų | 108.2 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -0.9 | 178.7 | -129.7 | 71 | 170.5 | 0 | 0 | 112.8 | N223 S227 | N223-M225 VanDerWaalsContact C-N 3.33Å; N223-M225 PolarHBondContact O-N 2.83Å; M225-S227 VanDerWaalsContact C-N 3.34Å; M225-S227 PolarHBondContact O-N 3.32Å |
| 226 | N | 43 | Very low | 53.8 | Low | 113 Ų | 113 | 105 Ų | 105 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -81.4 | 81.1 | -172.5 | -167.6 | 79.8 | 0 | 0 | 0 | 111.3 | N223 | N223-N226 PolarHBondContact O-N 3.06Š|
| 227 | S | 54.2 | Low | 56 | Low | 69 Ų | 69 | 102.1 Ų | 102.1 | 48% | 0.483 | 59% | 0.593 | S | S | . | * | trans | 63.1 | 114.4 | 171 | -54.3 | 0 | 0 | 0 | 0 | 114.8 | M225 S229 | M225-S227 VanDerWaalsContact C-N 3.34Å; M225-S227 PolarHBondContact O-N 3.32Å; S227-S229 PolarHBondContact O-N 3.23Å | ||
| 228 | A | 44.6 | Very low | 58.3 | Low | 33 Ų | 33 | 100.1 Ų | 100.1 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | trans | -70.6 | 69.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G230 R262 L263 | A228-G230 VanDerWaalsContact C-N 3.33Å; A228-G230 PolarHBondContact O-N 3.49Å; A228-R262 HydrophobicContact CB-CB 3.96Å; A228-R262 WeakPolarHBondContact O-CD 3.19Å; A228-L263 HydrophobicContact CB-CD2 4.31Å | ||
| 229 | S | 52.4 | Low | 60.1 | Low | 125 Ų | 125 | 95.4 Ų | 95.4 | 87% | 0.874 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 34.3 | 43.8 | 157.1 | 67.9 | 0 | 0 | 0 | 0 | 118.8 | S227 | S227-S229 PolarHBondContact O-N 3.23Š|
| 230 | G | 55.8 | Low | 61.8 | Low | 36 Ų | 36 | 92 Ų | 92 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -179.5 | 163.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A228 R262 | A228-G230 VanDerWaalsContact C-N 3.33Å; A228-G230 PolarHBondContact O-N 3.49Å; G230-R262 PolarHBondContact O-NH1 2.84Å |
| 231 | P | 69.7 | Low | 63.6 | Low | 124 Ų | 124 | 88 Ų | 88 | 81% | 0.805 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -56 | 148.1 | 171.2 | 26.5 | -34.5 | 0 | 0 | 0 | 110.1 | ||
| 232 | L | 79.9 | Confident | 64.7 | Low | 44 Ų | 44 | 89.4 Ų | 89.4 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 145 | 172.3 | -90.1 | 73.6 | 0 | 0 | 0 | 109.3 | W236 E237 Q238 Y248 | L232-W236 HydrophobicContact CB-CB 4.19Å; L232-W236 WeakPolarHBondContact CB-O 3.37Å; L232-W236 HydrophobicContact CD2-CB 4.04Å; L232-W236 WeakPolarHBondContact CD2-O 3.47Å; L232-E237 VanDerWaalsContact CD2-C 3.49Å; L232-Q238 HydrophobicContact CD1-CB 4.48Å; L232-Q238 HydrophobicContact CD2-CB 3.88Å; L232-Y248 HydrophobicContact CD2-CD1 4.02Å; L232-Y248 HydrophobicContact CD2-CE1 4.38Å |
| 233 | P | 80.4 | Confident | 65.6 | Low | 54 Ų | 54 | 87.1 Ų | 87.1 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 148.9 | 177.1 | -20.9 | 32.4 | 0 | 0 | 0 | 111.4 | G235 W236 P261 R262 | P233-G235 PolarHBondContact O-N 2.9Å; P233-W236 WeakPolarHBondContact O-CB 3.3Å; P233-W236 PolarHBondContact O-N 2.82Å; P233-P261 HydrophobicContact CG-CB 4.31Å; P233-P261 HydrophobicContact CG-CG 4.33Å; P233-R262 HydrophobicContact CG-CG 4.49Å |
| 234 | D | 75.9 | Confident | 67.1 | Low | 138 Ų | 138 | 83.2 Ų | 83.2 | 74% | 0.738 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | 125.1 | -173.6 | -70.7 | -46.8 | 0 | 0 | 0 | 113.6 | K252 | D234-K252 WeakPolarHBondContact O-CD 3.2Š|
| 235 | G | 79.9 | Confident | 68.8 | Low | 32 Ų | 32 | 80.4 Ų | 80.4 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 16.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P233 N250 H251 | P233-G235 PolarHBondContact O-N 2.9Å; G235-N250 CarbonylContact O-C 3.59Å; G235-N250 WeakPolarHBondContact O-CA 3.48Å; G235-H251 WeakPolarHBondContact O-CB 3.44Å; G235-H251 PolarHBondContact O-N 3.35Å |
| 236 | W | 84.5 | Confident | 70.5 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 25% | 0.25 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.8 | 162.5 | -69.4 | 83.5 | 0 | 0 | 0 | 111 | L232 P233 I249 N250 P261 | L232-W236 HydrophobicContact CB-CB 4.19Å; L232-W236 WeakPolarHBondContact CB-O 3.37Å; L232-W236 HydrophobicContact CD2-CB 4.04Å; L232-W236 WeakPolarHBondContact CD2-O 3.47Å; P233-W236 WeakPolarHBondContact O-CB 3.3Å; P233-W236 PolarHBondContact O-N 2.82Å; W236-I249 CarbonylContact C-O 3.53Å; W236-I249 VanDerWaalsContact CA-O 3.31Å; W236-I249 WeakPolarHBondContact CA-O 3.41Å; W236-N250 HydrophobicContact CD2-CB 3.83Å; W236-N250 HydrophobicContact CE3-CB 3.79Å; W236-N250 HydrophobicContact CH2-CB 3.96Å; W236-N250 HydrophobicContact CZ2-CB 3.99Å; W236-N250 WeakPolarHBondContact CZ2-ND2 3.49Å; W236-N250 HydrophobicContact CZ3-CB 3.86Å; W236-N250 PolarHBondContact NE1-ND2 3.19Å; W236-P261 HydrophobicContact CB-CG 4.09Å; W236-P261 HydrophobicContact CD2-CB 3.64Å; W236-P261 HydrophobicContact CD2-CG 3.56Å; W236-P261 HydrophobicContact CE3-CB 3.93Å; W236-P261 HydrophobicContact CE3-CG 3.68Å; W236-P261 HydrophobicContact CG-CB 4.13Å; W236-P261 HydrophobicContact CG-CG 3.78Å; W236-P261 HydrophobicContact CH2-CB 4.05Å; W236-P261 HydrophobicContact CZ2-CB 3.78Å; W236-P261 HydrophobicContact CZ3-CB 4.12Å; W236-P261 HydrophobicContact CZ3-CG 4.24Å |
| 237 | E | 85.3 | Confident | 72.3 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 28% | 0.28 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 143.5 | 173.6 | 176.2 | -172.7 | 158.2 | 0 | 0 | 109.1 | L232 Y248 I249 H251 | L232-E237 VanDerWaalsContact CD2-C 3.49Å; E237-Y248 CarbonylContact O-C 3.53Å; E237-Y248 VanDerWaalsContact O-CA 3.31Å; E237-Y248 WeakPolarHBondContact O-CA 3.45Å; E237-I249 HydrophobicContact CB-CB 4.3Å; E237-I249 PolarHBondContact N-O 3.27Å; E237-I249 PolarHBondContact O-N 2.99Å; E237-H251 IonicContact OE2-CD2 3.04Å; E237-H251 IonicContact OE2-CE1 3.04Å; E237-H251 PolarHBondContact OE2-CE1 3.5Å; E237-H251 IonicContact OE2-NE2 3.01Å; E237-H251 PolarHBondContact OE2-NE2 3.4Å |
| 238 | Q | 84.7 | Confident | 73.8 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.1 | 168.9 | -172.5 | -178.8 | -55.6 | 0 | 0 | 108.3 | L232 I246 Y248 | L232-Q238 HydrophobicContact CD1-CB 4.48Å; L232-Q238 HydrophobicContact CD2-CB 3.88Å; Q238-I246 HydrophobicContact CG-CG2 3.48Å; Q238-I246 VanDerWaalsContact CG-CG2 3.48Å; Q238-Y248 HydrophobicContact CB-CD1 4.17Å; Q238-Y248 HydrophobicContact CB-CE1 4Å; Q238-Y248 HydrophobicContact CG-CD1 4.18Å; Q238-Y248 HydrophobicContact CG-CE1 3.68Å |
| 239 | A | 80.8 | Confident | 75.7 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 13% | 0.132 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 170.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | I246 Y247 I249 | A239-I246 WeakPolarHBondContact O-CA 3.31Å; A239-Y247 CarbonylContact C-O 3.56Å; A239-Y247 HydrophobicContact CB-CD1 4.23Å; A239-Y247 HydrophobicContact CB-CD2 4.33Å; A239-Y247 HydrophobicContact CB-CE1 3.71Å; A239-Y247 HydrophobicContact CB-CE2 3.83Å; A239-Y247 VanDerWaalsContact CB-CZ 3.48Å; A239-Y247 PolarHBondContact N-O 2.87Å; A239-Y247 PolarHBondContact O-N 3.07Å; A239-I249 HydrophobicContact CB-CD1 3.8Å; A239-I249 HydrophobicContact CB-CG1 4.2Å |
| 240 | M | 79.8 | Confident | 77.1 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 30% | 0.296 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.8 | 170.7 | 68.8 | -178.6 | -169.3 | 0 | 0 | 112.3 | W199 E245 Y247 | W199-M240 HydrophobicContact CB-CE 3.5Å; W199-M240 VanDerWaalsContact CD1-CE 3.46Å; W199-M240 HydrophobicContact CG-CE 3.81Å; M240-E245 CarbonylContact C-O 3.49Å; M240-E245 VanDerWaalsContact CA-O 3.23Å; M240-E245 WeakPolarHBondContact CA-O 3.46Å; M240-Y247 VanDerWaalsContact C-CE1 3.45Å |
| 241 | T | 78 | Confident | 78.3 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | trans | -73 | 168.2 | 176.9 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | D243 G244 E245 Y247 W258 | T241-D243 PolarHBondContact O-N 3.37Å; T241-D243 PolarHBondContact OG1-N 3.04Å; T241-G244 PolarHBondContact O-N 2.89Å; T241-E245 HydrophobicContact CG2-CB 4.46Å; T241-E245 PolarHBondContact N-O 2.71Å; T241-E245 WeakPolarHBondContact OG1-CB 3.46Å; T241-E245 PolarHBondContact OG1-N 2.75Å; T241-E245 VanDerWaalsContact OG1-N 3.11Å; T241-E245 PolarHBondContact OG1-O 3.49Å; T241-Y247 HydrophobicContact CG2-CD1 3.77Å; T241-Y247 HydrophobicContact CG2-CE1 3.89Å; T241-W258 HydrophobicContact CG2-CH2 3.72Å; T241-W258 HydrophobicContact CG2-CZ3 4.13Å | ||
| 242 | Q | 65.1 | Low | 78.4 | Confident | 192 Ų | 192 | 70.9 Ų | 70.9 | 90% | 0.897 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.5 | 173.6 | -173.9 | 174.2 | -9.4 | 0 | 0 | 112.5 | G244 | Q242-G244 VanDerWaalsContact C-N 3.28Š|
| 243 | D | 61.3 | Low | 78.6 | Confident | 140 Ų | 140 | 73 Ų | 73 | 75% | 0.749 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0.3 | 177.3 | -49.8 | -69.8 | 0 | 0 | 0 | 113.1 | T241 | T241-D243 PolarHBondContact O-N 3.37Å; T241-D243 PolarHBondContact OG1-N 3.04Å |
| 244 | G | 72.2 | Confident | 78.6 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 84 | 8.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T241 Q242 | T241-G244 PolarHBondContact O-N 2.89Å; Q242-G244 VanDerWaalsContact C-N 3.28Å |
| 245 | E | 73.1 | Confident | 78.1 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | trans | -79.8 | 127.6 | 178 | -57.2 | -172.8 | 116.4 | 0 | 0 | 110.9 | M240 T241 W258 | M240-E245 CarbonylContact C-O 3.49Å; M240-E245 VanDerWaalsContact CA-O 3.23Å; M240-E245 WeakPolarHBondContact CA-O 3.46Å; T241-E245 HydrophobicContact CG2-CB 4.46Å; T241-E245 PolarHBondContact N-O 2.71Å; T241-E245 WeakPolarHBondContact OG1-CB 3.46Å; T241-E245 PolarHBondContact OG1-N 2.75Å; T241-E245 VanDerWaalsContact OG1-N 3.11Å; T241-E245 PolarHBondContact OG1-O 3.49Å; E245-W258 HydrophobicContact CB-CH2 4.3Å; E245-W258 HydrophobicContact CB-CZ3 3.72Å | ||
| 246 | I | 80.6 | Confident | 78.1 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 34% | 0.344 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.6 | 179.7 | -61.3 | 173.2 | 0 | 0 | 0 | 110 | Q238 A239 Y248 | Q238-I246 HydrophobicContact CG-CG2 3.48Å; Q238-I246 VanDerWaalsContact CG-CG2 3.48Å; A239-I246 WeakPolarHBondContact O-CA 3.31Å; I246-Y248 HydrophobicContact CG2-CE2 3.95Å |
| 247 | Y | 80.9 | Confident | 77.7 | Confident | 64 Ų | 64 | 76 Ų | 76 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.3 | 172.2 | 70.8 | -82 | 0 | 0 | 0 | 111.1 | A239 M240 T241 I249 T256 | A239-Y247 CarbonylContact C-O 3.56Å; A239-Y247 HydrophobicContact CB-CD1 4.23Å; A239-Y247 HydrophobicContact CB-CD2 4.33Å; A239-Y247 HydrophobicContact CB-CE1 3.71Å; A239-Y247 HydrophobicContact CB-CE2 3.83Å; A239-Y247 VanDerWaalsContact CB-CZ 3.48Å; A239-Y247 PolarHBondContact N-O 2.87Å; A239-Y247 PolarHBondContact O-N 3.07Å; M240-Y247 VanDerWaalsContact C-CE1 3.45Å; T241-Y247 HydrophobicContact CG2-CD1 3.77Å; T241-Y247 HydrophobicContact CG2-CE1 3.89Å; Y247-I249 HydrophobicContact CD2-CG1 3.96Å; Y247-I249 HydrophobicContact CE2-CD1 3.73Å; Y247-I249 HydrophobicContact CE2-CG1 3.58Å; Y247-T256 HydrophobicContact CD2-CG2 4.37Å; Y247-T256 HydrophobicContact CE2-CG2 4.31Å |
| 248 | Y | 85.4 | Confident | 77.6 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 6% | 0.063 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.7 | -172.5 | -60.9 | -90.9 | 0 | 0 | 0 | 109.8 | L232 E237 Q238 I246 T256 S257 L259 D260 | L232-Y248 HydrophobicContact CD2-CD1 4.02Å; L232-Y248 HydrophobicContact CD2-CE1 4.38Å; E237-Y248 CarbonylContact O-C 3.53Å; E237-Y248 VanDerWaalsContact O-CA 3.31Å; E237-Y248 WeakPolarHBondContact O-CA 3.45Å; Q238-Y248 HydrophobicContact CB-CD1 4.17Å; Q238-Y248 HydrophobicContact CB-CE1 4Å; Q238-Y248 HydrophobicContact CG-CD1 4.18Å; Q238-Y248 HydrophobicContact CG-CE1 3.68Å; I246-Y248 HydrophobicContact CG2-CE2 3.95Å; Y248-T256 CarbonylContact O-C 3.54Å; Y248-T256 VanDerWaalsContact O-CA 3.31Å; Y248-T256 WeakPolarHBondContact O-CA 3.48Å; Y248-S257 PolarHBondContact N-O 3.43Å; Y248-S257 PolarHBondContact O-N 3.11Å; Y248-L259 VanDerWaalsContact CD2-C 3.49Å; Y248-L259 WeakPolarHBondContact CD2-O 3.31Å; Y248-D260 HydrophobicContact CD2-CB 4.27Å; Y248-D260 HydrophobicContact CE1-CB 3.89Å; Y248-D260 VanDerWaalsContact CE2-CA 3.42Å; Y248-D260 HydrophobicContact CE2-CB 3.64Å; Y248-D260 VanDerWaalsContact CZ-CB 3.43Å; Y248-D260 PolarHBondContact OH-OD2 3.43Å |
| 249 | I | 83.4 | Confident | 77.3 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.9 | -179 | -49.7 | 179.2 | 0 | 0 | 0 | 108.1 | W236 E237 A239 Y247 T256 | W236-I249 CarbonylContact C-O 3.53Å; W236-I249 VanDerWaalsContact CA-O 3.31Å; W236-I249 WeakPolarHBondContact CA-O 3.41Å; E237-I249 HydrophobicContact CB-CB 4.3Å; E237-I249 PolarHBondContact N-O 3.27Å; E237-I249 PolarHBondContact O-N 2.99Å; A239-I249 HydrophobicContact CB-CD1 3.8Å; A239-I249 HydrophobicContact CB-CG1 4.2Å; Y247-I249 HydrophobicContact CD2-CG1 3.96Å; Y247-I249 HydrophobicContact CE2-CD1 3.73Å; Y247-I249 HydrophobicContact CE2-CG1 3.58Å; I249-T256 HydrophobicContact CG1-CG2 4.14Å; I249-T256 HydrophobicContact CG2-CG2 4.34Å |
| 250 | N | 83.3 | Confident | 77.3 | Confident | 15 Ų | 15 | 77 Ų | 77 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 107.4 | 171.8 | -179.4 | -33.5 | 0 | 0 | 0 | 109.5 | G235 W236 K252 N253 K254 T255 | G235-N250 CarbonylContact O-C 3.59Å; G235-N250 WeakPolarHBondContact O-CA 3.48Å; W236-N250 HydrophobicContact CD2-CB 3.83Å; W236-N250 HydrophobicContact CE3-CB 3.79Å; W236-N250 HydrophobicContact CH2-CB 3.96Å; W236-N250 HydrophobicContact CZ2-CB 3.99Å; W236-N250 WeakPolarHBondContact CZ2-ND2 3.49Å; W236-N250 HydrophobicContact CZ3-CB 3.86Å; W236-N250 PolarHBondContact NE1-ND2 3.19Å; N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.39Å; N250-K252 WeakPolarHBondContact OD1-CA 3.23Å; N250-K252 WeakPolarHBondContact OD1-CB 3.43Å; N250-K252 PolarHBondContact OD1-N 3.24Å; N250-N253 WeakPolarHBondContact CB-OD1 3.25Å; N250-N253 VanDerWaalsContact CG-CG 3.49Å; N250-N253 PolarHBondContact O-OD1 3.46Å; N250-N253 PolarHBondContact OD1-N 2.94Å; N250-N253 VanDerWaalsContact OD1-N 3.11Å; N250-N253 PolarHBondContact OD1-OD1 3.45Å; N250-N253 VanDerWaalsContact OD1-OD1 3.12Å; N250-K254 WeakPolarHBondContact O-CA 3.47Å; N250-K254 PolarHBondContact O-N 3.07Å; N250-T255 PolarHBondContact N-O 2.92Å; N250-T255 PolarHBondContact O-N 3.32Å |
| 251 | H | 79.1 | Confident | 76.9 | Confident | 75 Ų | 75 | 76.1 Ų | 76.1 | 35% | 0.347 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.8 | -179.6 | -75.8 | -74.7 | 0 | 0 | 0 | 114.5 | G235 E237 K254 | G235-H251 WeakPolarHBondContact O-CB 3.44Å; G235-H251 PolarHBondContact O-N 3.35Å; E237-H251 IonicContact OE2-CD2 3.04Å; E237-H251 IonicContact OE2-CE1 3.04Å; E237-H251 PolarHBondContact OE2-CE1 3.5Å; E237-H251 IonicContact OE2-NE2 3.01Å; E237-H251 PolarHBondContact OE2-NE2 3.4Å; H251-K254 WeakPolarHBondContact O-CD 3.38Å; H251-K254 WeakPolarHBondContact O-CE 3.22Å; H251-K254 PolarHBondContact O-NZ 2.88Å |
| 252 | K | 72.3 | Confident | 76.8 | Confident | 161 Ų | 161 | 77.2 Ų | 77.2 | 70% | 0.7 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -32.4 | -178.4 | -61.1 | 174.7 | 71 | 162.5 | 0 | 111.9 | D234 N250 | D234-K252 WeakPolarHBondContact O-CD 3.2Å; N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.39Å; N250-K252 WeakPolarHBondContact OD1-CA 3.23Å; N250-K252 WeakPolarHBondContact OD1-CB 3.43Å; N250-K252 PolarHBondContact OD1-N 3.24Å |
| 253 | N | 84.6 | Confident | 76.8 | Confident | 87 Ų | 87 | 71 Ų | 71 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -1.3 | 177.7 | 70.1 | 4.3 | 0 | 0 | 0 | 114 | N250 T255 | N250-N253 WeakPolarHBondContact CB-OD1 3.25Å; N250-N253 VanDerWaalsContact CG-CG 3.49Å; N250-N253 PolarHBondContact O-OD1 3.46Å; N250-N253 PolarHBondContact OD1-N 2.94Å; N250-N253 VanDerWaalsContact OD1-N 3.11Å; N250-N253 PolarHBondContact OD1-OD1 3.45Å; N250-N253 VanDerWaalsContact OD1-OD1 3.12Å; N253-T255 VanDerWaalsContact C-N 3.33Å; N253-T255 HydrophobicContact CB-CG2 4.4Å; N253-T255 PolarHBondContact ND2-OG1 3.43Å; N253-T255 VanDerWaalsContact ND2-OG1 3.09Å; N253-T255 PolarHBondContact O-N 3.05Å; N253-T255 WeakPolarHBondContact OD1-CB 3.38Å; N253-T255 WeakPolarHBondContact OD1-CG2 3.13Å; N253-T255 PolarHBondContact OD1-N 3.3Å; N253-T255 PolarHBondContact OD1-OG1 3.33Å |
| 254 | K | 80.6 | Confident | 76.6 | Confident | 156 Ų | 156 | 68.4 Ų | 68.4 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 42.3 | -176.7 | -55.3 | -53.3 | -174.2 | -161.7 | 0 | 113.5 | N250 H251 | N250-K254 WeakPolarHBondContact O-CA 3.47Å; N250-K254 PolarHBondContact O-N 3.07Å; H251-K254 WeakPolarHBondContact O-CD 3.38Å; H251-K254 WeakPolarHBondContact O-CE 3.22Å; H251-K254 PolarHBondContact O-NZ 2.88Å |
| 255 | T | 65.4 | Low | 75.9 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 156.2 | 173.9 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | N250 N253 | N250-T255 PolarHBondContact N-O 2.92Å; N250-T255 PolarHBondContact O-N 3.32Å; N253-T255 VanDerWaalsContact C-N 3.33Å; N253-T255 HydrophobicContact CB-CG2 4.4Å; N253-T255 PolarHBondContact ND2-OG1 3.43Å; N253-T255 VanDerWaalsContact ND2-OG1 3.09Å; N253-T255 PolarHBondContact O-N 3.05Å; N253-T255 WeakPolarHBondContact OD1-CB 3.38Å; N253-T255 WeakPolarHBondContact OD1-CG2 3.13Å; N253-T255 PolarHBondContact OD1-N 3.3Å; N253-T255 PolarHBondContact OD1-OG1 3.33Å |
| 256 | T | 79.2 | Confident | 75 | Confident | 102 Ų | 102 | 75.7 Ų | 75.7 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 150.9 | 170.1 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | Y247 Y248 I249 | Y247-T256 HydrophobicContact CD2-CG2 4.37Å; Y247-T256 HydrophobicContact CE2-CG2 4.31Å; Y248-T256 CarbonylContact O-C 3.54Å; Y248-T256 VanDerWaalsContact O-CA 3.31Å; Y248-T256 WeakPolarHBondContact O-CA 3.48Å; I249-T256 HydrophobicContact CG1-CG2 4.14Å; I249-T256 HydrophobicContact CG2-CG2 4.34Å |
| 257 | S | 76 | Confident | 73.8 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.3 | -174.4 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | Y248 L259 | Y248-S257 PolarHBondContact N-O 3.43Å; Y248-S257 PolarHBondContact O-N 3.11Å; S257-L259 PolarHBondContact O-N 3.12Å; S257-L259 PolarHBondContact OG-N 3.11Å; S257-L259 PolarHBondContact OG-O 3.42Å |
| 258 | W | 83.2 | Confident | 72.6 | Confident | 115 Ų | 115 | 77 Ų | 77 | 44% | 0.436 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -76.6 | -9.7 | 168.9 | -62.6 | 108.6 | 0 | 0 | 0 | 113.3 | T241 E245 | T241-W258 HydrophobicContact CG2-CH2 3.72Å; T241-W258 HydrophobicContact CG2-CZ3 4.13Å; E245-W258 HydrophobicContact CB-CH2 4.3Å; E245-W258 HydrophobicContact CB-CZ3 3.72Å |
| 259 | L | 79.1 | Confident | 71.1 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 23% | 0.225 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -98.3 | 130.5 | 177 | -174 | 75.7 | 0 | 0 | 0 | 110.3 | Y248 S257 L263 A268 | Y248-L259 VanDerWaalsContact CD2-C 3.49Å; Y248-L259 WeakPolarHBondContact CD2-O 3.31Å; S257-L259 PolarHBondContact O-N 3.12Å; S257-L259 PolarHBondContact OG-N 3.11Å; S257-L259 PolarHBondContact OG-O 3.42Å; L259-L263 HydrophobicContact CD1-CB 4.42Å; L259-A268 HydrophobicContact CD1-CB 4.32Å; L259-A268 HydrophobicContact CD2-CB 3.54Å |
| 260 | D | 79.9 | Confident | 69.7 | Low | 7 Ų | 7 | 84.3 Ų | 84.3 | 4% | 0.037 | 42% | 0.419 | C | S | . | . | trans | -61.1 | 126.8 | 170.9 | -173 | -25.8 | 0 | 0 | 0 | 110.1 | Y248 R262 L263 | Y248-D260 HydrophobicContact CD2-CB 4.27Å; Y248-D260 HydrophobicContact CE1-CB 3.89Å; Y248-D260 VanDerWaalsContact CE2-CA 3.42Å; Y248-D260 HydrophobicContact CE2-CB 3.64Å; Y248-D260 VanDerWaalsContact CZ-CB 3.43Å; Y248-D260 PolarHBondContact OH-OD2 3.43Å; D260-R262 PolarHBondContact O-N 2.86Å; D260-R262 VanDerWaalsContact O-N 3.11Å; D260-R262 WeakPolarHBondContact OD1-CB 3.4Å; D260-R262 WeakPolarHBondContact OD1-CG 3.16Å; D260-R262 IonicContact OD1-CZ 3.35Å; D260-R262 PolarHBondContact OD1-N 3.17Å; D260-R262 IonicContact OD1-NE 3.2Å; D260-R262 PolarHBondContact OD1-NE 3.02Å; D260-R262 IonicContact OD1-NH2 3.64Å; D260-R262 IonicContact OD2-CZ 3.27Å; D260-R262 VanDerWaalsContact OD2-CZ 3.28Å; D260-R262 IonicContact OD2-NE 2.69Å; D260-R262 PolarHBondContact OD2-NE 3.3Å; D260-R262 IonicContact OD2-NH2 2.84Å; D260-R262 PolarHBondContact OD2-NH2 2.82Å; D260-L263 HydrophobicContact CB-CB 4.26Å; D260-L263 HydrophobicContact CB-CD1 3.77Å; D260-L263 HydrophobicContact CB-CG 3.8Å; D260-L263 PolarHBondContact O-N 3.26Å | ||
| 261 | P | 72.9 | Confident | 68 | Low | 41 Ų | 41 | 87 Ų | 87 | 27% | 0.266 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.2 | 177.1 | 28.9 | -39.4 | 0 | 0 | 0 | 114.2 | P233 W236 | P233-P261 HydrophobicContact CG-CB 4.31Å; P233-P261 HydrophobicContact CG-CG 4.33Å; W236-P261 HydrophobicContact CB-CG 4.09Å; W236-P261 HydrophobicContact CD2-CB 3.64Å; W236-P261 HydrophobicContact CD2-CG 3.56Å; W236-P261 HydrophobicContact CE3-CB 3.93Å; W236-P261 HydrophobicContact CE3-CG 3.68Å; W236-P261 HydrophobicContact CG-CB 4.13Å; W236-P261 HydrophobicContact CG-CG 3.78Å; W236-P261 HydrophobicContact CH2-CB 4.05Å; W236-P261 HydrophobicContact CZ2-CB 3.78Å; W236-P261 HydrophobicContact CZ3-CB 4.12Å; W236-P261 HydrophobicContact CZ3-CG 4.24Å |
| 262 | R | 74.4 | Confident | 66.6 | Low | 56 Ų | 56 | 92 Ų | 92 | 21% | 0.211 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.3 | 175.9 | -56.4 | 169.3 | -66.8 | -168.1 | -2 | 112.8 | A228 G230 P233 D260 | A228-R262 HydrophobicContact CB-CB 3.96Å; A228-R262 WeakPolarHBondContact O-CD 3.19Å; G230-R262 PolarHBondContact O-NH1 2.84Å; P233-R262 HydrophobicContact CG-CG 4.49Å; D260-R262 PolarHBondContact O-N 2.86Å; D260-R262 VanDerWaalsContact O-N 3.11Å; D260-R262 WeakPolarHBondContact OD1-CB 3.4Å; D260-R262 WeakPolarHBondContact OD1-CG 3.16Å; D260-R262 IonicContact OD1-CZ 3.35Å; D260-R262 PolarHBondContact OD1-N 3.17Å; D260-R262 IonicContact OD1-NE 3.2Å; D260-R262 PolarHBondContact OD1-NE 3.02Å; D260-R262 IonicContact OD1-NH2 3.64Å; D260-R262 IonicContact OD2-CZ 3.27Å; D260-R262 VanDerWaalsContact OD2-CZ 3.28Å; D260-R262 IonicContact OD2-NE 2.69Å; D260-R262 PolarHBondContact OD2-NE 3.3Å; D260-R262 IonicContact OD2-NH2 2.84Å; D260-R262 PolarHBondContact OD2-NH2 2.82Å |
| 263 | L | 66.1 | Low | 65.7 | Low | 60 Ų | 60 | 89.3 Ų | 89.3 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -88.2 | 132.8 | -179.7 | -69.2 | 176.5 | 0 | 0 | 0 | 111.4 | A228 L259 D260 | A228-L263 HydrophobicContact CB-CD2 4.31Å; L259-L263 HydrophobicContact CD1-CB 4.42Å; D260-L263 HydrophobicContact CB-CB 4.26Å; D260-L263 HydrophobicContact CB-CD1 3.77Å; D260-L263 HydrophobicContact CB-CG 3.8Å; D260-L263 PolarHBondContact O-N 3.26Å |
| 264 | D | 56.2 | Low | 63.9 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | trans | -54.3 | 136.5 | -178.8 | -170.8 | -58.2 | 0 | 0 | 0 | 111.6 | R266 F267 | D264-R266 PolarHBondContact O-N 2.8Å; D264-R266 WeakPolarHBondContact OD1-CB 3.35Å; D264-R266 VanDerWaalsContact OD1-CG 3.26Å; D264-R266 WeakPolarHBondContact OD1-CG 3.22Å; D264-R266 PolarHBondContact OD1-N 3.11Å; D264-F267 HydrophobicContact CB-CD2 3.96Å; D264-F267 HydrophobicContact CB-CE2 4.06Å; D264-F267 WeakPolarHBondContact O-CD2 3.31Å; D264-F267 PolarHBondContact O-N 2.82Å | ||
| 265 | P | 58.2 | Low | 62.1 | Low | 103 Ų | 103 | 88.3 Ų | 88.3 | 67% | 0.669 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -49.9 | -20.2 | 178.3 | -30.6 | 35.9 | 0 | 0 | 0 | 115.8 | F267 A268 | P265-F267 VanDerWaalsContact C-N 3.27Å; P265-F267 PolarHBondContact O-N 2.83Å; P265-A268 VanDerWaalsContact O-CB 3.26Å; P265-A268 WeakPolarHBondContact O-CB 3.49Å; P265-A268 PolarHBondContact O-N 2.76Å |
| 266 | R | 53.8 | Low | 60.6 | Low | 205 Ų | 205 | 90 Ų | 90 | 77% | 0.774 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.2 | -32.3 | 172.3 | -66.1 | -178.4 | 73.4 | 121.5 | 7.3 | 113.4 | D264 | D264-R266 PolarHBondContact O-N 2.8Å; D264-R266 WeakPolarHBondContact OD1-CB 3.35Å; D264-R266 VanDerWaalsContact OD1-CG 3.26Å; D264-R266 WeakPolarHBondContact OD1-CG 3.22Å; D264-R266 PolarHBondContact OD1-N 3.11Å |
| 267 | F | 56.1 | Low | 58.4 | Low | 126 Ų | 126 | 89.1 Ų | 89.1 | 55% | 0.553 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74.5 | -28 | 177.1 | -64 | -76.3 | 0 | 0 | 0 | 112.6 | D264 P265 M269 N270 | D264-F267 HydrophobicContact CB-CD2 3.96Å; D264-F267 HydrophobicContact CB-CE2 4.06Å; D264-F267 WeakPolarHBondContact O-CD2 3.31Å; D264-F267 PolarHBondContact O-N 2.82Å; P265-F267 VanDerWaalsContact C-N 3.27Å; P265-F267 PolarHBondContact O-N 2.83Å; F267-M269 VanDerWaalsContact C-N 3.3Å; F267-M269 PolarHBondContact O-N 3.06Å; F267-N270 PolarHBondContact O-N 2.94Å |
| 268 | A | 56.1 | Low | 56.7 | Low | 34 Ų | 34 | 93.5 Ų | 93.5 | 28% | 0.281 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L259 P265 N270 Q271 R272 | L259-A268 HydrophobicContact CD1-CB 4.32Å; L259-A268 HydrophobicContact CD2-CB 3.54Å; P265-A268 VanDerWaalsContact O-CB 3.26Å; P265-A268 WeakPolarHBondContact O-CB 3.49Å; P265-A268 PolarHBondContact O-N 2.76Å; A268-N270 VanDerWaalsContact C-N 3.31Å; A268-N270 PolarHBondContact O-N 3.46Å; A268-Q271 PolarHBondContact O-N 3.32Å; A268-R272 PolarHBondContact O-N 3.1Å |
| 269 | M | 53.9 | Low | 54.5 | Low | 81 Ų | 81 | 94.4 Ų | 94.4 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -34.4 | -174.9 | -165.2 | 66.8 | 176.2 | 0 | 0 | 112.2 | F267 I273 | F267-M269 VanDerWaalsContact C-N 3.3Å; F267-M269 PolarHBondContact O-N 3.06Å; M269-I273 WeakPolarHBondContact O-CD1 3.35Å |
| 270 | N | 52.5 | Low | 52.4 | Low | 120 Ų | 120 | 102 Ų | 102 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.1 | -37.8 | -179.1 | -74.9 | 6.9 | 0 | 0 | 0 | 112.6 | F267 A268 | F267-N270 PolarHBondContact O-N 2.94Å; A268-N270 VanDerWaalsContact C-N 3.31Å; A268-N270 PolarHBondContact O-N 3.46Å |
| 271 | Q | 49.3 | Very low | 50.3 | Low | 72 Ų | 72 | 109.7 Ų | 109.7 | 34% | 0.336 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69 | -36.6 | 177.3 | -97.8 | -157.9 | 63.7 | 0 | 0 | 113 | A268 I273 S274 | A268-Q271 PolarHBondContact O-N 3.32Å; Q271-I273 PolarHBondContact O-N 3.31Å; Q271-I273 VanDerWaalsContact O-N 3.1Å; Q271-S274 PolarHBondContact O-N 3.18Å |
| 272 | R | 49.4 | Very low | 48.5 | Very low | 178 Ų | 178 | 113.3 Ų | 113.3 | 67% | 0.672 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -16.4 | -177.3 | -168.5 | -97.3 | -74.5 | -105.6 | -2.6 | 113.7 | A268 | A268-R272 PolarHBondContact O-N 3.1Š|
| 273 | I | 52.5 | Low | 46.9 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -21.1 | 177.2 | -68.4 | 164 | 0 | 0 | 0 | 111.9 | M269 Q271 | M269-I273 WeakPolarHBondContact O-CD1 3.35Å; Q271-I273 PolarHBondContact O-N 3.31Å; Q271-I273 VanDerWaalsContact O-N 3.1Å |
| 274 | S | 47.6 | Very low | 45.7 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -17 | -177.3 | -56.7 | 0 | 0 | 0 | 0 | 114.5 | Q271 | Q271-S274 PolarHBondContact O-N 3.18Š|
| 275 | Q | 41.7 | Very low | 44.9 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 54% | 0.537 | 67% | 0.671 | S | S | . | * | trans | -105.1 | 13.1 | -174.6 | -64.8 | -155.6 | 50.5 | 0 | 0 | 115 | A277 | Q275-A277 PolarHBondContact O-N 2.67Š| ||
| 276 | S | 35.5 | Very low | 43.9 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -80.2 | 82.7 | 173 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 277 | A | 32 | Very low | 43.7 | Very low | 84 Ų | 84 | 118.6 Ų | 118.6 | 69% | 0.694 | 67% | 0.673 | S | S | * | * | trans | -61.7 | 141.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | Q275 V279 | Q275-A277 PolarHBondContact O-N 2.67Å; A277-V279 PolarHBondContact O-N 3.09Å | ||
| 278 | P | 39.5 | Very low | 42.7 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | trans | -75.8 | 114.9 | -174.9 | 29 | -33.9 | 0 | 0 | 0 | 111.9 | K280 | P278-K280 PolarHBondContact O-N 2.72Š| ||
| 279 | V | 37.6 | Very low | 41.8 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -66.8 | 113.5 | 165.9 | 171.8 | 0 | 0 | 0 | 0 | 109 | A277 Q281 | A277-V279 PolarHBondContact O-N 3.09Å; V279-Q281 PolarHBondContact O-N 3.02Å | ||
| 280 | K | 35.8 | Very low | 42 | Very low | 203 Ų | 203 | 125.6 Ų | 125.6 | 88% | 0.883 | 72% | 0.721 | S | S | * | * | trans | -77.4 | 88.4 | -176 | -167.1 | 174.9 | -174.1 | 175.9 | 0 | 111.3 | P278 | P278-K280 PolarHBondContact O-N 2.72Š| ||
| 281 | Q | 34.4 | Very low | 41.2 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 145.8 | 164.7 | -76.8 | -173.9 | -24.1 | 0 | 0 | 111 | V279 | V279-Q281 PolarHBondContact O-N 3.02Š|
| 282 | P | 36 | Very low | 40.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 141 | 173.7 | 31.5 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 283 | P | 40.2 | Very low | 40.3 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 143.8 | 179.7 | 31.8 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 284 | P | 42.4 | Very low | 40.1 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 157.2 | 164.1 | 32 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 285 | L | 38.6 | Very low | 40 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 154.2 | -171.3 | -79.6 | 158.6 | 0 | 0 | 0 | 114.3 | ||
| 286 | A | 37.4 | Very low | 40.3 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 79 | 155.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 287 | P | 49.1 | Very low | 41 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -135.3 | 165.2 | -33.9 | 34.4 | -16.8 | 0 | 0 | 0 | 115.5 | ||||
| 288 | Q | 34.5 | Very low | 42 | Very low | 182 Ų | 182 | 126.4 Ų | 126.4 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 14.6 | 141.7 | 142.8 | -70.8 | -171.1 | 78.1 | 0 | 0 | 120.7 | ||||
| 289 | S | 36.8 | Very low | 42.9 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | cis | -160.3 | -142.3 | 2.5 | -80.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 290 | P | 59.2 | Low | 44.2 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | -119.7 | 157.5 | -100.8 | 38.7 | -24.2 | 0 | 0 | 0 | 115.2 | |||||
| 291 | Q | 35.8 | Very low | 46 | Very low | 200 Ų | 200 | 117.8 Ų | 117.8 | 94% | 0.935 | 75% | 0.747 | S | S | * | * | trans | -175.1 | 146 | 138.3 | -102.8 | 157.4 | 21.2 | 0 | 0 | 110.8 | ||||
| 292 | G | 41 | Very low | 48.1 | Very low | 82 Ų | 82 | 116 Ų | 116 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -90.3 | 163.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 293 | G | 39 | Very low | 50.2 | Low | 73 Ų | 73 | 117.1 Ų | 117.1 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | 161.9 | 90.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 294 | V | 47.4 | Very low | 52.3 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | 12.6 | 149.8 | 151.5 | -61.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 295 | M | 45.4 | Very low | 54.4 | Low | 175 Ų | 175 | 116.9 Ų | 116.9 | 86% | 0.862 | 71% | 0.712 | S | S | * | * | trans | 79.7 | 118.2 | 161.8 | -65.8 | -162.3 | -70.6 | 0 | 0 | 119.6 | ||||
| 296 | G | 48.1 | Very low | 56.8 | Low | 87 Ų | 87 | 115 Ų | 115 | 90% | 0.897 | 70% | 0.7 | S | S | * | * | trans | -74.7 | 133.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 297 | G | 51.4 | Low | 59.2 | Low | 54 Ų | 54 | 118.6 Ų | 118.6 | 56% | 0.557 | 69% | 0.693 | S | S | * | * | trans | -175 | -24.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N299 S300 | G297-N299 VanDerWaalsContact C-N 3.33Å; G297-N299 PolarHBondContact O-N 3.02Å; G297-S300 PolarHBondContact O-OG 2.84Å | ||
| 298 | S | 53 | Low | 61.3 | Low | 90 Ų | 90 | 118 Ų | 118 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69 | -19.8 | -172.6 | -42.2 | 0 | 0 | 0 | 0 | 115.9 | S300 N301 Q302 | S298-S300 PolarHBondContact O-N 3.31Å; S298-N301 PolarHBondContact O-N 3.07Å; S298-Q302 PolarHBondContact O-N 2.85Å; S298-Q302 VanDerWaalsContact O-N 3.08Å |
| 299 | N | 58.4 | Low | 64.2 | Low | 130 Ų | 130 | 115.6 Ų | 115.6 | 70% | 0.695 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.1 | -36.5 | -173.7 | -70.3 | -16 | 0 | 0 | 0 | 113.1 | G297 Q303 | G297-N299 VanDerWaalsContact C-N 3.33Å; G297-N299 PolarHBondContact O-N 3.02Å; N299-Q303 WeakPolarHBondContact O-CB 3.48Å; N299-Q303 PolarHBondContact O-N 2.86Å |
| 300 | S | 63.5 | Low | 66.8 | Low | 71 Ų | 71 | 116.1 Ų | 116.1 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 178.9 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | G297 S298 Q303 Q304 | G297-S300 PolarHBondContact O-OG 2.84Å; S298-S300 PolarHBondContact O-N 3.31Å; S300-Q303 PolarHBondContact O-N 2.89Å; S300-Q304 VanDerWaalsContact O-CG 3.27Å; S300-Q304 WeakPolarHBondContact O-CG 3.26Å; S300-Q304 PolarHBondContact O-N 3.24Å |
| 301 | N | 74.9 | Confident | 68.5 | Low | 83 Ų | 83 | 115.5 Ų | 115.5 | 44% | 0.444 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69.8 | -39 | 178.3 | -167.4 | -89.3 | 0 | 0 | 0 | 111.9 | S298 Q303 Q304 Q305 | S298-N301 PolarHBondContact O-N 3.07Å; N301-Q303 VanDerWaalsContact C-N 3.34Å; N301-Q303 PolarHBondContact O-N 3.36Å; N301-Q304 WeakPolarHBondContact O-CB 3.41Å; N301-Q304 PolarHBondContact O-N 3.4Å; N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.29Å; N301-Q305 PolarHBondContact OD1-NE2 3.49Å |
| 302 | Q | 78.1 | Confident | 71.2 | Confident | 131 Ų | 131 | 111.3 Ų | 111.3 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.7 | -41.3 | 172.6 | -173.3 | 177.5 | 91 | 0 | 0 | 111.8 | S298 Q305 M306 | S298-Q302 PolarHBondContact O-N 2.85Å; S298-Q302 VanDerWaalsContact O-N 3.08Å; Q302-Q305 PolarHBondContact O-N 2.99Å; Q302-M306 WeakPolarHBondContact O-CG 3.41Å; Q302-M306 PolarHBondContact O-N 3.4Å |
| 303 | Q | 79.8 | Confident | 73.7 | Confident | 139 Ų | 139 | 113.8 Ų | 113.8 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.7 | -33.6 | 176.9 | -165.2 | 171.6 | 61.4 | 0 | 0 | 112.5 | N299 S300 N301 R307 | N299-Q303 WeakPolarHBondContact O-CB 3.48Å; N299-Q303 PolarHBondContact O-N 2.86Å; S300-Q303 PolarHBondContact O-N 2.89Å; N301-Q303 VanDerWaalsContact C-N 3.34Å; N301-Q303 PolarHBondContact O-N 3.36Å; Q303-R307 WeakPolarHBondContact O-CB 3.26Å; Q303-R307 PolarHBondContact O-N 3Å |
| 304 | Q | 84.5 | Confident | 76.3 | Confident | 119 Ų | 119 | 114.7 Ų | 114.7 | 56% | 0.556 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.8 | -43.4 | 171 | -74 | 168 | 4.5 | 0 | 0 | 112 | S300 N301 R307 L308 | S300-Q304 VanDerWaalsContact O-CG 3.27Å; S300-Q304 WeakPolarHBondContact O-CG 3.26Å; S300-Q304 PolarHBondContact O-N 3.24Å; N301-Q304 WeakPolarHBondContact O-CB 3.41Å; N301-Q304 PolarHBondContact O-N 3.4Å; Q304-R307 PolarHBondContact O-N 2.99Å; Q304-L308 WeakPolarHBondContact O-CB 3.16Å; Q304-L308 PolarHBondContact O-N 3.04Å |
| 305 | Q | 87.1 | Confident | 78.4 | Confident | 123 Ų | 123 | 115.8 Ų | 115.8 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.2 | -44.7 | 176.3 | -71.6 | 177.9 | 63.8 | 0 | 0 | 111.7 | N301 Q302 R307 L308 Q309 | N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.29Å; N301-Q305 PolarHBondContact OD1-NE2 3.49Å; Q302-Q305 PolarHBondContact O-N 2.99Å; Q305-R307 PolarHBondContact O-N 3.42Å; Q305-L308 PolarHBondContact O-N 3.1Å; Q305-Q309 PolarHBondContact O-N 3Å |
| 306 | M | 88.8 | Confident | 80.6 | Confident | 132 Ų | 132 | 113 Ų | 113 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.6 | -43.9 | 174 | -74.3 | -71.3 | -72.3 | 0 | 0 | 112.3 | Q302 Q309 Q310 | Q302-M306 WeakPolarHBondContact O-CG 3.41Å; Q302-M306 PolarHBondContact O-N 3.4Å; M306-Q309 PolarHBondContact O-N 3.04Å; M306-Q310 PolarHBondContact O-N 3.34Å |
| 307 | R | 87.8 | Confident | 82.9 | Confident | 169 Ų | 169 | 117.1 Ų | 117.1 | 64% | 0.638 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 176.4 | -178.3 | 180 | -114.6 | 143.5 | -2.8 | 112 | Q303 Q304 Q305 Q310 L311 | Q303-R307 WeakPolarHBondContact O-CB 3.26Å; Q303-R307 PolarHBondContact O-N 3Å; Q304-R307 PolarHBondContact O-N 2.99Å; Q305-R307 PolarHBondContact O-N 3.42Å; R307-Q310 PolarHBondContact O-N 3.35Å; R307-L311 HydrophobicContact CG-CD1 4.18Å; R307-L311 WeakPolarHBondContact O-CG 3.47Å; R307-L311 PolarHBondContact O-N 3.28Å |
| 308 | L | 93.6 | Very high | 84.8 | Confident | 98 Ų | 98 | 119.7 Ų | 119.7 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -43 | 178.3 | -177.6 | 61.5 | 0 | 0 | 0 | 111.5 | Q304 Q305 L311 Q312 | Q304-L308 WeakPolarHBondContact O-CB 3.16Å; Q304-L308 PolarHBondContact O-N 3.04Å; Q305-L308 PolarHBondContact O-N 3.1Å; L308-L311 PolarHBondContact O-N 3.19Å; L308-Q312 WeakPolarHBondContact O-CG 3.42Å; L308-Q312 PolarHBondContact O-N 3.28Å |
| 309 | Q | 93.7 | Very high | 86.8 | Confident | 132 Ų | 132 | 122.4 Ų | 122.4 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.4 | -38.7 | 176.9 | -174.5 | 150.3 | 93.6 | 0 | 0 | 112.2 | Q305 M306 Q312 M313 | Q305-Q309 PolarHBondContact O-N 3Å; M306-Q309 PolarHBondContact O-N 3.04Å; Q309-Q312 PolarHBondContact O-N 3.17Å; Q309-M313 PolarHBondContact O-N 3.45Å |
| 310 | Q | 91.4 | Very high | 88.5 | Confident | 107 Ų | 107 | 120.5 Ų | 120.5 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.5 | -45.5 | 171.6 | -178.2 | 172.5 | 89 | 0 | 0 | 111.8 | M306 R307 Q312 M313 E314 | M306-Q310 PolarHBondContact O-N 3.34Å; R307-Q310 PolarHBondContact O-N 3.35Å; Q310-Q312 VanDerWaalsContact C-N 3.31Å; Q310-Q312 PolarHBondContact O-N 3.34Å; Q310-M313 PolarHBondContact O-N 3.1Å; Q310-E314 WeakPolarHBondContact O-CB 3.36Å; Q310-E314 PolarHBondContact O-N 3.29Å |
| 311 | L | 96.5 | Very high | 89.8 | Confident | 97 Ų | 97 | 123.6 Ų | 123.6 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.7 | -35.3 | 176.8 | -78.6 | 164.6 | 0 | 0 | 0 | 112.8 | R307 L308 K315 | R307-L311 HydrophobicContact CG-CD1 4.18Å; R307-L311 WeakPolarHBondContact O-CG 3.47Å; R307-L311 PolarHBondContact O-N 3.28Å; L308-L311 PolarHBondContact O-N 3.19Å; L311-K315 VanDerWaalsContact O-CB 3.23Å; L311-K315 WeakPolarHBondContact O-CB 3.4Å; L311-K315 PolarHBondContact O-N 3.49Å |
| 312 | Q | 92 | Very high | 90.4 | Very high | 112 Ų | 112 | 125.7 Ų | 125.7 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.3 | -43.4 | 175.8 | -77.8 | 165.8 | -28.8 | 0 | 0 | 112 | L308 Q309 Q310 K315 E316 | L308-Q312 WeakPolarHBondContact O-CG 3.42Å; L308-Q312 PolarHBondContact O-N 3.28Å; Q309-Q312 PolarHBondContact O-N 3.17Å; Q310-Q312 VanDerWaalsContact C-N 3.31Å; Q310-Q312 PolarHBondContact O-N 3.34Å; Q312-K315 PolarHBondContact O-N 3.12Å; Q312-E316 PolarHBondContact O-N 2.94Å |
| 313 | M | 93.8 | Very high | 90.9 | Very high | 135 Ų | 135 | 124.9 Ų | 124.9 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.8 | -40.7 | 173.6 | -171.8 | -176.1 | -66.3 | 0 | 0 | 111.7 | Q309 Q310 E316 R317 | Q309-M313 PolarHBondContact O-N 3.45Å; Q310-M313 PolarHBondContact O-N 3.1Å; M313-E316 PolarHBondContact O-N 3.5Å; M313-R317 VanDerWaalsContact O-CB 3.32Å; M313-R317 WeakPolarHBondContact O-CB 3.5Å; M313-R317 PolarHBondContact O-N 3.21Å |
| 314 | E | 91.9 | Very high | 91.1 | Very high | 92 Ų | 92 | 122 Ų | 122 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -41.9 | 176.1 | -174.1 | 169.7 | -174.1 | 0 | 0 | 111.8 | Q310 E316 R317 L318 | Q310-E314 WeakPolarHBondContact O-CB 3.36Å; Q310-E314 PolarHBondContact O-N 3.29Å; E314-E316 PolarHBondContact O-N 3.07Å; E314-R317 PolarHBondContact O-N 3.47Å; E314-L318 VanDerWaalsContact O-CB 3.25Å; E314-L318 WeakPolarHBondContact O-CB 3.35Å; E314-L318 PolarHBondContact O-N 3.06Å |
| 315 | K | 91.8 | Very high | 91.2 | Very high | 156 Ų | 156 | 121 Ų | 121 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.2 | -45.6 | 173.1 | 173.3 | 176.5 | 172.4 | 171.7 | 0 | 111.6 | L311 Q312 L318 R319 | L311-K315 VanDerWaalsContact O-CB 3.23Å; L311-K315 WeakPolarHBondContact O-CB 3.4Å; L311-K315 PolarHBondContact O-N 3.49Å; Q312-K315 PolarHBondContact O-N 3.12Å; K315-L318 PolarHBondContact O-N 3.19Å; K315-R319 WeakPolarHBondContact O-CB 2.95Å; K315-R319 PolarHBondContact O-N 2.83Å |
| 316 | E | 93.4 | Very high | 90.9 | Very high | 117 Ų | 117 | 119.4 Ų | 119.4 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -45.2 | 177.4 | -177.8 | 170.4 | -141.7 | 0 | 0 | 111.8 | Q312 M313 E314 L318 R319 L320 | Q312-E316 PolarHBondContact O-N 2.94Å; M313-E316 PolarHBondContact O-N 3.5Å; E314-E316 PolarHBondContact O-N 3.07Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 3.31Å; E316-R319 WeakPolarHBondContact O-CB 3.46Å; E316-R319 PolarHBondContact O-N 3.37Å; E316-L320 HydrophobicContact CG-CD1 4.31Å; E316-L320 PolarHBondContact O-N 3.46Å |
| 317 | R | 94.8 | Very high | 90.6 | Very high | 173 Ų | 173 | 119.9 Ų | 119.9 | 65% | 0.653 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59 | -40.1 | 174.6 | -174.3 | -128.5 | 175.9 | 173.1 | 1.4 | 111.7 | M313 E314 L320 K321 | M313-R317 VanDerWaalsContact O-CB 3.32Å; M313-R317 WeakPolarHBondContact O-CB 3.5Å; M313-R317 PolarHBondContact O-N 3.21Å; E314-R317 PolarHBondContact O-N 3.47Å; R317-L320 PolarHBondContact O-N 2.94Å; R317-K321 WeakPolarHBondContact O-CB 3.36Å; R317-K321 PolarHBondContact O-N 2.99Å |
| 318 | L | 92.4 | Very high | 89.9 | Confident | 108 Ų | 108 | 117.3 Ų | 117.3 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.8 | -37.9 | 177.7 | -166.6 | 66.5 | 0 | 0 | 0 | 111.4 | E314 K315 E316 K321 Q322 | E314-L318 VanDerWaalsContact O-CB 3.25Å; E314-L318 WeakPolarHBondContact O-CB 3.35Å; E314-L318 PolarHBondContact O-N 3.06Å; K315-L318 PolarHBondContact O-N 3.19Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 3.31Å; L318-K321 PolarHBondContact O-N 2.83Å; L318-Q322 WeakPolarHBondContact O-CB 3.38Å; L318-Q322 PolarHBondContact O-N 3.48Å |
| 319 | R | 95 | Very high | 88.7 | Confident | 147 Ų | 147 | 116.4 Ų | 116.4 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 172.1 | -166.5 | -170.9 | 85.2 | 108.8 | -1.1 | 111.7 | K315 E316 Q322 Q323 | K315-R319 WeakPolarHBondContact O-CB 2.95Å; K315-R319 PolarHBondContact O-N 2.83Å; E316-R319 WeakPolarHBondContact O-CB 3.46Å; E316-R319 PolarHBondContact O-N 3.37Å; R319-Q322 PolarHBondContact O-N 3.41Å; R319-Q323 WeakPolarHBondContact O-CB 3.3Å; R319-Q323 PolarHBondContact O-N 2.87Å |
| 320 | L | 92.7 | Very high | 87.2 | Confident | 89 Ų | 89 | 116.2 Ų | 116.2 | 47% | 0.466 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.5 | -76.9 | 166.8 | 0 | 0 | 0 | 111.4 | E316 R317 Q322 Q323 E324 | E316-L320 HydrophobicContact CG-CD1 4.31Å; E316-L320 PolarHBondContact O-N 3.46Å; R317-L320 PolarHBondContact O-N 2.94Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 2.68Å; L320-Q323 PolarHBondContact O-N 3.2Å; L320-E324 WeakPolarHBondContact O-CB 3.41Å; L320-E324 PolarHBondContact O-N 3.45Å |
| 321 | K | 92.3 | Very high | 85.7 | Confident | 137 Ų | 137 | 114.5 Ų | 114.5 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 175.1 | -173.2 | 179.9 | 178.1 | -174.9 | 0 | 112 | R317 L318 E324 L325 | R317-K321 WeakPolarHBondContact O-CB 3.36Å; R317-K321 PolarHBondContact O-N 2.99Å; L318-K321 PolarHBondContact O-N 2.83Å; K321-E324 PolarHBondContact O-N 3.3Å; K321-L325 WeakPolarHBondContact O-CB 3.47Å; K321-L325 PolarHBondContact O-N 3.37Å |
| 322 | Q | 87 | Confident | 83.7 | Confident | 126 Ų | 126 | 115.5 Ų | 115.5 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 175.7 | -176.3 | -172.5 | 72.9 | 0 | 0 | 111.3 | L318 R319 L320 E324 L325 L326 | L318-Q322 WeakPolarHBondContact O-CB 3.38Å; L318-Q322 PolarHBondContact O-N 3.48Å; R319-Q322 PolarHBondContact O-N 3.41Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 2.68Å; Q322-E324 VanDerWaalsContact C-N 3.34Å; Q322-E324 PolarHBondContact O-N 2.86Å; Q322-L325 PolarHBondContact O-N 3.32Å; Q322-L326 HydrophobicContact CG-CD1 4.32Å; Q322-L326 WeakPolarHBondContact O-CD1 3.43Å; Q322-L326 PolarHBondContact O-N 3.5Å |
| 323 | Q | 87.8 | Confident | 82 | Confident | 114 Ų | 114 | 113.1 Ų | 113.1 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.4 | -177.7 | 173.5 | 77.1 | 0 | 0 | 111.8 | R319 L320 L326 R327 | R319-Q323 WeakPolarHBondContact O-CB 3.3Å; R319-Q323 PolarHBondContact O-N 2.87Å; L320-Q323 PolarHBondContact O-N 3.2Å; Q323-L326 PolarHBondContact O-N 2.79Å; Q323-R327 WeakPolarHBondContact O-CB 3.45Å; Q323-R327 PolarHBondContact O-N 3.38Å |
| 324 | E | 84.9 | Confident | 80 | Confident | 80 Ų | 80 | 113.1 Ų | 113.1 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 175.1 | -179.6 | 55.3 | -157.4 | 0 | 0 | 112 | L320 K321 Q322 L326 R327 Q328 | L320-E324 WeakPolarHBondContact O-CB 3.41Å; L320-E324 PolarHBondContact O-N 3.45Å; K321-E324 PolarHBondContact O-N 3.3Å; Q322-E324 VanDerWaalsContact C-N 3.34Å; Q322-E324 PolarHBondContact O-N 2.86Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.38Å; E324-R327 VanDerWaalsContact CD-NE 3.35Å; E324-R327 CarbonylContact O-C 3.54Å; E324-R327 WeakPolarHBondContact O-CA 3.33Å; E324-R327 WeakPolarHBondContact O-CB 3.35Å; E324-R327 PolarHBondContact O-N 3.1Å; E324-R327 VanDerWaalsContact O-N 3.1Å; E324-R327 IonicContact OE1-CZ 3.6Å; E324-R327 IonicContact OE1-NE 2.74Å; E324-R327 PolarHBondContact OE1-NE 2.81Å; E324-R327 IonicContact OE1-NH2 2.72Å; E324-R327 PolarHBondContact OE1-NH2 3.48Å; E324-R327 WeakPolarHBondContact OE2-CD 3.4Å; E324-R327 IonicContact OE2-CZ 3.84Å; E324-R327 IonicContact OE2-NE 2.69Å; E324-R327 PolarHBondContact OE2-NE 2.85Å; E324-R327 IonicContact OE2-NH2 2.78Å; E324-Q328 WeakPolarHBondContact O-CB 3.32Å; E324-Q328 PolarHBondContact O-N 2.85Å |
| 325 | L | 85.9 | Confident | 78.2 | Confident | 96 Ų | 96 | 118.4 Ų | 118.4 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 173.1 | -171 | 69.2 | 0 | 0 | 0 | 110.8 | K321 Q322 R327 Q328 V329 | K321-L325 WeakPolarHBondContact O-CB 3.47Å; K321-L325 PolarHBondContact O-N 3.37Å; Q322-L325 PolarHBondContact O-N 3.32Å; L325-R327 VanDerWaalsContact C-N 3.32Å; L325-R327 PolarHBondContact O-N 2.9Å; L325-Q328 PolarHBondContact O-N 3.26Å; L325-V329 HydrophobicContact CD1-CG2 4.43Å; L325-V329 HydrophobicContact CG-CG2 4.38Å; L325-V329 WeakPolarHBondContact O-CB 3.25Å; L325-V329 VanDerWaalsContact O-CG2 3.3Å; L325-V329 WeakPolarHBondContact O-CG2 3.39Å; L325-V329 PolarHBondContact O-N 3.41Å |
| 326 | L | 81.8 | Confident | 76.2 | Confident | 90 Ų | 90 | 118 Ų | 118 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.4 | -39.4 | 171.7 | -99.5 | 66.2 | 0 | 0 | 0 | 111.8 | Q322 Q323 E324 Q328 R330 | Q322-L326 HydrophobicContact CG-CD1 4.32Å; Q322-L326 WeakPolarHBondContact O-CD1 3.43Å; Q322-L326 PolarHBondContact O-N 3.5Å; Q323-L326 PolarHBondContact O-N 2.79Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.38Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 2.96Å; L326-R330 WeakPolarHBondContact O-CB 3.45Å; L326-R330 PolarHBondContact O-N 3.4Å |
| 327 | R | 81.2 | Confident | 74.4 | Confident | 143 Ų | 143 | 115.6 Ų | 115.6 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 175.1 | -165.1 | -169.3 | 72.9 | 90.6 | 2.4 | 112.1 | Q323 E324 L325 P331 | Q323-R327 WeakPolarHBondContact O-CB 3.45Å; Q323-R327 PolarHBondContact O-N 3.38Å; E324-R327 VanDerWaalsContact CD-NE 3.35Å; E324-R327 CarbonylContact O-C 3.54Å; E324-R327 WeakPolarHBondContact O-CA 3.33Å; E324-R327 WeakPolarHBondContact O-CB 3.35Å; E324-R327 PolarHBondContact O-N 3.1Å; E324-R327 VanDerWaalsContact O-N 3.1Å; E324-R327 IonicContact OE1-CZ 3.6Å; E324-R327 IonicContact OE1-NE 2.74Å; E324-R327 PolarHBondContact OE1-NE 2.81Å; E324-R327 IonicContact OE1-NH2 2.72Å; E324-R327 PolarHBondContact OE1-NH2 3.48Å; E324-R327 WeakPolarHBondContact OE2-CD 3.4Å; E324-R327 IonicContact OE2-CZ 3.84Å; E324-R327 IonicContact OE2-NE 2.69Å; E324-R327 PolarHBondContact OE2-NE 2.85Å; E324-R327 IonicContact OE2-NH2 2.78Å; L325-R327 VanDerWaalsContact C-N 3.32Å; L325-R327 PolarHBondContact O-N 2.9Å; R327-P331 WeakPolarHBondContact O-CD 3.43Å |
| 328 | Q | 74.8 | Confident | 72.3 | Confident | 114 Ų | 114 | 113.3 Ų | 113.3 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -83.9 | -33.8 | -178.8 | -170.8 | 174.1 | 81.5 | 0 | 0 | 113.1 | E324 L325 L326 P331 | E324-Q328 WeakPolarHBondContact O-CB 3.32Å; E324-Q328 PolarHBondContact O-N 2.85Å; L325-Q328 PolarHBondContact O-N 3.26Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 2.96Å; Q328-P331 WeakPolarHBondContact O-CD 3.38Å; Q328-P331 WeakPolarHBondContact O-CG 3.23Å |
| 329 | V | 67.8 | Low | 70.5 | Confident | 80 Ų | 80 | 113.4 Ų | 113.4 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -78.1 | -32.2 | 175.8 | 174 | 0 | 0 | 0 | 0 | 111.9 | L325 Q332 A333 | L325-V329 HydrophobicContact CD1-CG2 4.43Å; L325-V329 HydrophobicContact CG-CG2 4.38Å; L325-V329 WeakPolarHBondContact O-CB 3.25Å; L325-V329 VanDerWaalsContact O-CG2 3.3Å; L325-V329 WeakPolarHBondContact O-CG2 3.39Å; L325-V329 PolarHBondContact O-N 3.41Å; V329-Q332 WeakPolarHBondContact O-CB 3.43Å; V329-Q332 PolarHBondContact O-N 3.03Å; V329-A333 PolarHBondContact O-N 3.46Å |
| 330 | R | 61.3 | Low | 68.4 | Low | 127 Ų | 127 | 112 Ų | 112 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -51 | -49.8 | 176.4 | -174.6 | -173 | -57.4 | 135.4 | 2 | 114.3 | L326 A333 M334 | L326-R330 WeakPolarHBondContact O-CB 3.45Å; L326-R330 PolarHBondContact O-N 3.4Å; R330-A333 PolarHBondContact O-N 2.88Å; R330-M334 WeakPolarHBondContact O-CG 3.27Å; R330-M334 PolarHBondContact O-N 3.29Å |
| 331 | P | 61.1 | Low | 66.6 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.4 | -26.1 | 176.1 | 27.9 | -35.5 | 0 | 0 | 0 | 113.4 | R327 Q328 M334 R335 | R327-P331 WeakPolarHBondContact O-CD 3.43Å; Q328-P331 WeakPolarHBondContact O-CD 3.38Å; Q328-P331 WeakPolarHBondContact O-CG 3.23Å; P331-M334 PolarHBondContact O-N 3.3Å; P331-R335 WeakPolarHBondContact O-CB 3.5Å; P331-R335 PolarHBondContact O-N 3Å |
| 332 | Q | 54.3 | Low | 64.5 | Low | 118 Ų | 118 | 108.3 Ų | 108.3 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.7 | -44.6 | 173 | -63.1 | -70.5 | 3.3 | 0 | 0 | 110.7 | V329 M334 R335 N336 | V329-Q332 WeakPolarHBondContact O-CB 3.43Å; V329-Q332 PolarHBondContact O-N 3.03Å; Q332-M334 VanDerWaalsContact C-N 3.25Å; Q332-M334 PolarHBondContact O-N 3.47Å; Q332-R335 PolarHBondContact O-N 3.02Å; Q332-R335 VanDerWaalsContact O-N 3.12Å; Q332-N336 PolarHBondContact O-N 3.37Å |
| 333 | A | 55.7 | Low | 62.8 | Low | 62 Ų | 62 | 110.2 Ų | 110.2 | 51% | 0.512 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.1 | -30.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V329 R330 I337 | V329-A333 PolarHBondContact O-N 3.46Å; R330-A333 PolarHBondContact O-N 2.88Å; A333-I337 WeakPolarHBondContact O-CD1 3.38Å; A333-I337 WeakPolarHBondContact O-CG1 3.08Å |
| 334 | M | 51.6 | Low | 61.1 | Low | 135 Ų | 135 | 107.1 Ų | 107.1 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -85.9 | -16.6 | 174.4 | -61.7 | -139.9 | -60.7 | 0 | 0 | 114.3 | R330 P331 Q332 | R330-M334 WeakPolarHBondContact O-CG 3.27Å; R330-M334 PolarHBondContact O-N 3.29Å; P331-M334 PolarHBondContact O-N 3.3Å; Q332-M334 VanDerWaalsContact C-N 3.25Å; Q332-M334 PolarHBondContact O-N 3.47Å |
| 335 | R | 54.7 | Low | 59.8 | Low | 204 Ų | 204 | 108.2 Ų | 108.2 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.2 | -25.2 | 177.9 | -170.7 | 172.3 | -175.7 | 153.2 | 1.8 | 113.1 | P331 Q332 I337 | P331-R335 WeakPolarHBondContact O-CB 3.5Å; P331-R335 PolarHBondContact O-N 3Å; Q332-R335 PolarHBondContact O-N 3.02Å; Q332-R335 VanDerWaalsContact O-N 3.12Å; R335-I337 VanDerWaalsContact C-N 3.29Å; R335-I337 PolarHBondContact O-N 3.46Å |
| 336 | N | 48.9 | Very low | 58.2 | Low | 147 Ų | 147 | 111 Ų | 111 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 9.5 | 176.4 | -77.4 | 18.7 | 0 | 0 | 0 | 113.8 | Q332 | Q332-N336 PolarHBondContact O-N 3.37Š|
| 337 | I | 56 | Low | 56.8 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 34% | 0.338 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -102.4 | 116.8 | 179.9 | -60.4 | 179 | 0 | 0 | 0 | 109.1 | A333 R335 T341 | A333-I337 WeakPolarHBondContact O-CD1 3.38Å; A333-I337 WeakPolarHBondContact O-CG1 3.08Å; R335-I337 VanDerWaalsContact C-N 3.29Å; R335-I337 PolarHBondContact O-N 3.46Å; I337-T341 WeakPolarHBondContact CG2-OG1 3.49Å |
| 338 | N | 51.2 | Low | 55.6 | Low | 126 Ų | 126 | 109 Ų | 109 | 67% | 0.674 | 59% | 0.592 | S | S | * | * | trans | -56 | 133.6 | 175.2 | -118.7 | -46.2 | 0 | 0 | 0 | 110.2 | S340 T341 | N338-S340 PolarHBondContact O-N 3.33Å; N338-T341 PolarHBondContact O-N 2.93Å; N338-T341 PolarHBondContact O-OG1 3Å | ||
| 339 | P | 54.6 | Low | 54.8 | Low | 110 Ų | 110 | 109.1 Ų | 109.1 | 71% | 0.714 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -61.3 | -16.1 | -169.2 | 21.9 | -33.3 | 0 | 0 | 0 | 114.8 | T341 | P339-T341 VanDerWaalsContact C-N 3.26Å; P339-T341 PolarHBondContact O-N 3.27Å |
| 340 | S | 51.9 | Low | 54.4 | Low | 117 Ų | 117 | 111 Ų | 111 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -71 | -10.3 | 174 | -55.2 | 0 | 0 | 0 | 0 | 115.3 | N338 | N338-S340 PolarHBondContact O-N 3.33Š|
| 341 | T | 54.2 | Low | 54.3 | Low | 71 Ų | 71 | 107.8 Ų | 107.8 | 44% | 0.436 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -109.6 | 6.2 | -177.4 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | I337 N338 P339 N343 S344 | I337-T341 WeakPolarHBondContact CG2-OG1 3.49Å; N338-T341 PolarHBondContact O-N 2.93Å; N338-T341 PolarHBondContact O-OG1 3Å; P339-T341 VanDerWaalsContact C-N 3.26Å; P339-T341 PolarHBondContact O-N 3.27Å; T341-N343 PolarHBondContact O-N 3.48Å; T341-S344 WeakPolarHBondContact O-CB 3.33Å; T341-S344 PolarHBondContact O-N 3.47Å |
| 342 | A | 47.9 | Very low | 54.3 | Low | 77 Ų | 77 | 109.9 Ų | 109.9 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -13 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 343 | N | 51 | Low | 54.2 | Low | 167 Ų | 167 | 113.7 Ų | 113.7 | 89% | 0.893 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 15.2 | 173.5 | -75.5 | -60.2 | 0 | 0 | 0 | 113.7 | T341 | T341-N343 PolarHBondContact O-N 3.48Š|
| 344 | S | 52 | Low | 54.2 | Low | 49 Ų | 49 | 114 Ų | 114 | 34% | 0.343 | 62% | 0.615 | S | S | . | * | trans | -75.7 | 123.7 | 175.5 | -175.3 | 0 | 0 | 0 | 0 | 111 | T341 K346 C347 | T341-S344 WeakPolarHBondContact O-CB 3.33Å; T341-S344 PolarHBondContact O-N 3.47Å; S344-K346 PolarHBondContact O-N 3.28Å; S344-C347 PolarHBondContact O-N 3.08Å | ||
| 345 | P | 57.8 | Low | 54 | Low | 102 Ų | 102 | 114.8 Ų | 114.8 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60 | -24.2 | -177.7 | 23.2 | -33.4 | 0 | 0 | 0 | 112.9 | C347 Q348 E349 | P345-C347 VanDerWaalsContact C-N 3.28Å; P345-C347 PolarHBondContact O-N 3.22Å; P345-Q348 PolarHBondContact O-N 3.02Å; P345-Q348 VanDerWaalsContact O-N 3.11Å; P345-E349 PolarHBondContact O-N 2.93Å |
| 346 | K | 53.3 | Low | 53.4 | Low | 154 Ų | 154 | 111.9 Ų | 111.9 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.5 | -30.7 | 177.8 | -154.8 | 170.2 | -172 | 174.8 | 0 | 113.2 | S344 L350 | S344-K346 PolarHBondContact O-N 3.28Å; K346-L350 PolarHBondContact O-N 2.96Å |
| 347 | C | 52.1 | Low | 53 | Low | 51 Ų | 51 | 110.7 Ų | 110.7 | 35% | 0.345 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -75.7 | -34.1 | 174.6 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | S344 P345 A351 | S344-C347 PolarHBondContact O-N 3.08Å; P345-C347 VanDerWaalsContact C-N 3.28Å; P345-C347 PolarHBondContact O-N 3.22Å; C347-A351 PolarHBondContact O-N 3.34Å |
| 348 | Q | 56.4 | Low | 52.2 | Low | 140 Ų | 140 | 113.8 Ų | 113.8 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.1 | -36.6 | 177.6 | -159.5 | 134 | 46.2 | 0 | 0 | 111.6 | P345 A351 L352 | P345-Q348 PolarHBondContact O-N 3.02Å; P345-Q348 VanDerWaalsContact O-N 3.11Å; Q348-A351 PolarHBondContact O-N 2.86Å; Q348-L352 WeakPolarHBondContact O-CG 3.18Å; Q348-L352 PolarHBondContact O-N 3.47Å |
| 349 | E | 56.6 | Low | 51.9 | Low | 117 Ų | 117 | 115.4 Ų | 115.4 | 55% | 0.547 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -59.5 | -45.3 | 173.5 | -167.3 | -170.9 | 132.4 | 0 | 0 | 112.1 | P345 A351 L352 R353 | P345-E349 PolarHBondContact O-N 2.93Å; E349-A351 VanDerWaalsContact C-N 3.29Å; E349-A351 PolarHBondContact O-N 2.88Å; E349-L352 PolarHBondContact O-N 3.48Å; E349-R353 VanDerWaalsContact O-CB 3.25Å; E349-R353 WeakPolarHBondContact O-CB 3.49Å; E349-R353 PolarHBondContact O-N 3.01Å |
| 350 | L | 59.5 | Low | 51.1 | Low | 121 Ų | 121 | 119.3 Ų | 119.3 | 63% | 0.634 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.1 | -35.2 | 175.7 | -78.5 | 162.7 | 0 | 0 | 0 | 112.8 | K346 S354 | K346-L350 PolarHBondContact O-N 2.96Å; L350-S354 PolarHBondContact O-N 2.74Å |
| 351 | A | 60.3 | Low | 50.2 | Low | 59 Ų | 59 | 122.6 Ų | 122.6 | 49% | 0.488 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.4 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C347 Q348 E349 | C347-A351 PolarHBondContact O-N 3.34Å; Q348-A351 PolarHBondContact O-N 2.86Å; E349-A351 VanDerWaalsContact C-N 3.29Å; E349-A351 PolarHBondContact O-N 2.88Å |
| 352 | L | 59.6 | Low | 49.3 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 60% | 0.597 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.1 | -39.8 | 177.7 | -67.5 | 173 | 0 | 0 | 0 | 111.9 | Q348 E349 S354 Q355 | Q348-L352 WeakPolarHBondContact O-CG 3.18Å; Q348-L352 PolarHBondContact O-N 3.47Å; E349-L352 PolarHBondContact O-N 3.48Å; L352-S354 PolarHBondContact O-N 2.9Å; L352-Q355 PolarHBondContact O-N 3.28Å |
| 353 | R | 52.7 | Low | 48.5 | Very low | 198 Ų | 198 | 126.8 Ų | 126.8 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65.8 | -20.5 | 177.7 | -173.3 | 171 | 167.9 | 161 | -2.6 | 113.5 | E349 Q355 | E349-R353 VanDerWaalsContact O-CB 3.25Å; E349-R353 WeakPolarHBondContact O-CB 3.49Å; E349-R353 PolarHBondContact O-N 3.01Å; R353-Q355 VanDerWaalsContact C-N 3.31Å; R353-Q355 PolarHBondContact O-N 3.44Å |
| 354 | S | 55.9 | Low | 47.5 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 49% | 0.49 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -5.4 | 175.7 | -176 | 0 | 0 | 0 | 0 | 114.5 | L350 L352 | L350-S354 PolarHBondContact O-N 2.74Å; L352-S354 PolarHBondContact O-N 2.9Å |
| 355 | Q | 47.8 | Very low | 46.7 | Very low | 150 Ų | 150 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -2 | -173.5 | -69 | -171 | 94.9 | 0 | 0 | 114.9 | L352 R353 | L352-Q355 PolarHBondContact O-N 3.28Å; R353-Q355 VanDerWaalsContact C-N 3.31Å; R353-Q355 PolarHBondContact O-N 3.44Å |
| 356 | L | 42 | Very low | 45.5 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -88.5 | 134.5 | 174.8 | -125.4 | 74.7 | 0 | 0 | 0 | 111.1 | T358 | L356-T358 PolarHBondContact O-N 2.89Š|
| 357 | P | 39.9 | Very low | 44.3 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -68.8 | 117.1 | 169.2 | -13.3 | 28.1 | 0 | 0 | 0 | 109.8 | L359 | P357-L359 PolarHBondContact O-N 3.34Š| ||
| 358 | T | 39.2 | Very low | 43.7 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | -73.3 | 109.4 | 170.9 | -43.3 | 0 | 0 | 0 | 0 | 109 | L356 E360 | L356-T358 PolarHBondContact O-N 2.89Å; T358-E360 PolarHBondContact O-N 3.2Å | ||
| 359 | L | 44.5 | Very low | 42.4 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -71.3 | 120.2 | 161.6 | -159.9 | 85 | 0 | 0 | 0 | 106.9 | P357 Q361 | P357-L359 PolarHBondContact O-N 3.34Å; L359-Q361 PolarHBondContact O-N 2.93Å | ||
| 360 | E | 38 | Very low | 41 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | -68.6 | 115.5 | 177 | -68 | -176 | 97.8 | 0 | 0 | 109.3 | T358 | T358-E360 PolarHBondContact O-N 3.2Š| ||
| 361 | Q | 34.5 | Very low | 39.4 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -110.5 | 132.8 | 173.4 | -174 | 170.6 | 7.5 | 0 | 0 | 109.2 | L359 | L359-Q361 PolarHBondContact O-N 2.93Š| ||
| 362 | D | 33.7 | Very low | 38.7 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -59.1 | 146.3 | -174.1 | -171 | -127.9 | 0 | 0 | 0 | 113.8 | ||||
| 363 | G | 31.5 | Very low | 37.2 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -99.2 | 97.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 364 | G | 29.9 | Very low | 36.2 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | -120.9 | 115.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 365 | T | 36.4 | Very low | 35 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -80 | 125 | 174.1 | 46 | 0 | 0 | 0 | 0 | 112 | ||||
| 366 | Q | 31.6 | Very low | 34.2 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | 174.4 | 141 | 116.8 | -91.7 | 173.6 | 25.7 | 0 | 0 | 111.7 | |||||
| 367 | N | 29.1 | Very low | 33.5 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -77.9 | 152 | 169.2 | -99.3 | -35.4 | 0 | 0 | 0 | 109.3 | ||||
| 368 | P | 39 | Very low | 33.2 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | -151.2 | 151.9 | 61.4 | 39.4 | -19.3 | 0 | 0 | 0 | 119.4 | |||||
| 369 | V | 28.3 | Very low | 32.7 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 52.9 | 138.5 | 138 | 97.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 370 | S | 27.7 | Very low | 31.9 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 79.9 | 127.9 | 157.7 | -64.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 371 | S | 26.2 | Very low | 31.5 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -88.2 | -167.7 | 175.7 | -44.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 372 | P | 45.3 | Very low | 31.3 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | -120.8 | 154.6 | -68 | 33.9 | -18.7 | 0 | 0 | 0 | 112 | |||||
| 373 | G | 27.2 | Very low | 31.1 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | -141.4 | 122.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 374 | M | 32.8 | Very low | 31.1 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -72.2 | 165.7 | -172.6 | -40.1 | -58.6 | 168.6 | 0 | 0 | 115.2 | ||||
| 375 | S | 31.2 | Very low | 31 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 109.1 | 132.5 | 138.3 | 75.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 376 | Q | 30.1 | Very low | 30.9 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 45.6 | 126.9 | 150.7 | -70.3 | 172.2 | -5.1 | 0 | 0 | 120.1 | ||||
| 377 | E | 28.5 | Very low | 31 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | cis | 112 | 141.1 | 43.3 | -166.3 | -170 | 110.3 | 0 | 0 | 109.6 | ||||
| 378 | L | 32 | Very low | 32 | Very low | 121 Ų | 121 | 129 Ų | 129 | 63% | 0.634 | 75% | 0.753 | S | S | * | * | trans | 95.5 | 107.4 | 150.7 | -140.9 | 62.4 | 0 | 0 | 0 | 120.9 | ||||
| 379 | R | 29.4 | Very low | 32 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 92.5 | 126.2 | 130.9 | -102.8 | -161.1 | -88.9 | -177.8 | -6.2 | 125 | ||||
| 380 | T | 27.6 | Very low | 32.8 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | 50.2 | 109.6 | 136.6 | 47 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 381 | M | 30.5 | Very low | 32.9 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | 52.5 | 138.6 | 118.1 | -67.2 | 179.9 | 160.9 | 0 | 0 | 122.4 | |||||
| 382 | T | 29.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | 101.3 | 145.2 | 141.7 | -2.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 383 | T | 29.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | 84.5 | 103.2 | 159.4 | 60.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 384 | N | 31.3 | Very low | 33.1 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 58.6 | 129 | 119.1 | -71.9 | -20.4 | 0 | 0 | 0 | 122.9 | |||||
| 385 | S | 27.1 | Very low | 33.2 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 66.4 | 144.4 | 134.3 | 69.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 386 | S | 34.5 | Very low | 33.7 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -158.1 | 138 | 24.6 | 28.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 387 | D | 33.6 | Very low | 34.1 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -100.3 | 117.4 | 163.8 | -174.5 | 15.6 | 0 | 0 | 0 | 108.5 | ||||
| 388 | P | 51.6 | Low | 34.4 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 58% | 0.578 | 76% | 0.762 | S | S | * | * | trans | -80.8 | 142.9 | 177.1 | 32.3 | -31.8 | 0 | 0 | 0 | 111.3 | ||||
| 389 | F | 38.2 | Very low | 34.5 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | trans | 115.3 | 20.4 | 168.9 | -57.9 | -61.4 | 0 | 0 | 0 | 119 | ||||
| 390 | L | 44.4 | Very low | 34.8 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -127.9 | 89.5 | 163.1 | -71.9 | 178.8 | 0 | 0 | 0 | 114.5 | ||||
| 391 | N | 31.1 | Very low | 35.3 | Very low | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -179.3 | 148.2 | 149.3 | -125.2 | 11.4 | 0 | 0 | 0 | 107.7 | ||||
| 392 | S | 33.2 | Very low | 35.7 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -166.7 | 160.3 | 1.5 | -173.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 393 | G | 30.7 | Very low | 35.9 | Very low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | cis | 154.7 | 147.9 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 394 | T | 38.7 | Very low | 36.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | 71.6 | 138.8 | 160 | -34 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 395 | Y | 35.1 | Very low | 37 | Very low | 201 Ų | 201 | 134 Ų | 134 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | 98.7 | 109.9 | 159.8 | -67 | -72.8 | 0 | 0 | 0 | 119.5 | ||||
| 396 | H | 40.8 | Very low | 37.9 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | -171.1 | 135.3 | 106.5 | -97.1 | -71.3 | 0 | 0 | 0 | 111.2 | |||||
| 397 | S | 39.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -95.4 | 156.5 | 173 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 398 | R | 33.8 | Very low | 38.1 | Very low | 207 Ų | 207 | 137.5 Ų | 137.5 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 136.8 | 147.1 | 161.4 | -82.6 | 173.7 | 72 | 108.6 | 15.3 | 110.3 | E400 | R398-E400 IonicContact NH2-OE1 3.19Å; R398-E400 PolarHBondContact NH2-OE1 3.37Å | ||
| 399 | D | 34.2 | Very low | 37.2 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | cis | -169.4 | -177.2 | -27.5 | -120.9 | -64 | 0 | 0 | 0 | 107.1 | ||||
| 400 | E | 35.7 | Very low | 36.9 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | trans | 30.6 | 117 | 148.7 | 72.9 | -154.9 | 114.7 | 0 | 0 | 119.4 | R398 | R398-E400 IonicContact NH2-OE1 3.19Å; R398-E400 PolarHBondContact NH2-OE1 3.37Å | ||
| 401 | S | 39.6 | Very low | 36.6 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | 175.5 | 132.6 | 72.8 | -66.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 402 | T | 38.4 | Very low | 36.7 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | 31.1 | 122.9 | 97.9 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 403 | D | 34.8 | Very low | 37.4 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | -168.5 | 169.1 | 67.1 | -173.4 | 24.9 | 0 | 0 | 0 | 112 | |||||
| 404 | S | 46.2 | Very low | 38 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -93.2 | 171.6 | -174.2 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 405 | G | 37.4 | Very low | 38.1 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -175.1 | 51.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 406 | L | 44.7 | Very low | 38.6 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 149.9 | 171.1 | -65.5 | 170.7 | 0 | 0 | 0 | 111.5 | ||||
| 407 | S | 34 | Very low | 38.8 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | 136.2 | 106.9 | 125.4 | -171 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 408 | M | 37.9 | Very low | 39.1 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | 34.8 | 135.2 | 126.4 | -47.1 | -169.1 | 71.4 | 0 | 0 | 122.1 | |||||
| 409 | S | 33.5 | Very low | 39.7 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | 112.4 | 116.6 | 114.1 | -104.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 410 | S | 32.3 | Very low | 40.5 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 80.3 | 117.7 | 131.2 | 43.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 411 | Y | 37.6 | Very low | 41 | Very low | 219 Ų | 219 | 138.2 Ų | 138.2 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 60 | 120.3 | 137.2 | -66.7 | -67.6 | 0 | 0 | 0 | 122.5 | ||||
| 412 | S | 32.5 | Very low | 41.2 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | -163.3 | 154.4 | 126.1 | -82.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 413 | V | 47.9 | Very low | 41.5 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -91.1 | 146.2 | -169.1 | 173 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 414 | P | 44.3 | Very low | 42.3 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -125.4 | 122 | 140.9 | 33.8 | -21.6 | 0 | 0 | 0 | 110.5 | ||||
| 415 | R | 39.5 | Very low | 42.4 | Very low | 236 Ų | 236 | 142.6 Ų | 142.6 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | 71.9 | 113.8 | 72.6 | -160.2 | 174.2 | -165.7 | 123.7 | 2.7 | 112.8 | |||||
| 416 | T | 46.3 | Very low | 43 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 66% | 0.663 | 80% | 0.804 | S | S | * | * | trans | -71.5 | 149.5 | 178.8 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 417 | P | 45.5 | Very low | 43.1 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -93.9 | 109.7 | 164.2 | 32.9 | -27.2 | 0 | 0 | 0 | 111.4 | D419 | P417-D419 PolarHBondContact O-N 2.87Å; P417-D419 VanDerWaalsContact O-N 3.14Å | ||
| 418 | D | 45.4 | Very low | 43.5 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -80.2 | 71.1 | 173.3 | -76.2 | -100.8 | 0 | 0 | 0 | 111.4 | ||||
| 419 | D | 47.2 | Very low | 43.7 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -141.2 | 25.8 | -173.9 | -120.3 | -41.7 | 0 | 0 | 0 | 115.2 | P417 | P417-D419 PolarHBondContact O-N 2.87Å; P417-D419 VanDerWaalsContact O-N 3.14Å | ||
| 420 | F | 50 | Low | 43.8 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -122.3 | 6.9 | 179.2 | -88.8 | -81.8 | 0 | 0 | 0 | 115.3 | ||
| 421 | L | 46.3 | Very low | 43.9 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -119.8 | 55.1 | -174.5 | -62.8 | 179.6 | 0 | 0 | 0 | 112.9 | ||||
| 422 | N | 42.9 | Very low | 43.7 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -144.5 | 31.3 | 177.1 | -100.3 | -44.9 | 0 | 0 | 0 | 114.1 | ||
| 423 | S | 45.2 | Very low | 43.9 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -152.8 | 34.3 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 424 | V | 51.5 | Low | 43.1 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -135.4 | 23.7 | 172.1 | -171 | 0 | 0 | 0 | 0 | 111.8 | ||
| 425 | D | 49.1 | Very low | 42.4 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -133.2 | 85.5 | 172.9 | -98.7 | -71.3 | 0 | 0 | 0 | 109 | ||
| 426 | E | 49.3 | Very low | 42 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | 160.4 | 81.5 | 151.8 | -174.4 | 168.7 | -154.9 | 0 | 0 | 110.6 | ||||
| 427 | M | 47.7 | Very low | 41.1 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | -158.4 | 132.1 | 127.1 | -149.3 | 149.8 | -67.2 | 0 | 0 | 111.7 | |||||
| 428 | D | 42.5 | Very low | 40.5 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -89.3 | 156.9 | -173.3 | -176.3 | 27.7 | 0 | 0 | 0 | 112.7 | ||||
| 429 | T | 41.3 | Very low | 40.4 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -6.6 | 127.8 | 163.1 | -48.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 430 | G | 35 | Very low | 39.5 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -172.7 | 120.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 431 | D | 35.9 | Very low | 38.6 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -81.2 | 176.5 | 179 | -95 | -77.3 | 0 | 0 | 0 | 115.1 | ||||
| 432 | T | 33 | Very low | 37.9 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | 82.7 | 106.8 | 146.8 | 37.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 433 | I | 35.7 | Very low | 37.3 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 41.9 | 126.9 | 133 | 12.4 | 174.6 | 0 | 0 | 0 | 125.1 | ||||
| 434 | N | 32.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | 86.3 | 136.6 | 129 | -123.1 | -36.9 | 0 | 0 | 0 | 124.2 | |||||
| 435 | Q | 29.7 | Very low | 36.1 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 89.6 | 108 | 138.5 | -155.8 | 160.7 | 110.8 | 0 | 0 | 123 | ||||
| 436 | S | 29.6 | Very low | 36 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 39.1 | 139.6 | 134 | -47 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 437 | T | 29.1 | Very low | 35.5 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | -175.8 | 151.9 | 71.2 | -57.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 438 | L | 32.9 | Very low | 35.2 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -63 | 165.1 | 174.2 | -89.3 | 158 | 0 | 0 | 0 | 115.1 | ||||
| 439 | P | 42.6 | Very low | 35.3 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | -145.4 | -176.2 | 57.8 | 29.5 | -4.2 | 0 | 0 | 0 | 116.1 | |||||
| 440 | S | 28.6 | Very low | 35.4 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -173.1 | -173.7 | -28.8 | 62.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 441 | Q | 31.1 | Very low | 35.8 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | trans | 72.8 | 143.7 | 167.9 | -62.8 | -75.2 | 75.9 | 0 | 0 | 118.7 | ||||
| 442 | Q | 31.6 | Very low | 36.1 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 62% | 0.621 | 75% | 0.754 | S | S | * | * | cis | -165.5 | 151.1 | -28.2 | -152.7 | -175.2 | -14.4 | 0 | 0 | 110 | ||||
| 443 | N | 30 | Very low | 36.4 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | trans | 75.3 | 135.5 | 156.3 | -73.6 | -47.2 | 0 | 0 | 0 | 122.8 | ||||
| 444 | R | 31 | Very low | 36.6 | Very low | 217 Ų | 217 | 141.2 Ų | 141.2 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | trans | 84.7 | 92.4 | 143.4 | -161.1 | 165.7 | -68.4 | 174 | 0.3 | 119 | ||||
| 445 | F | 40.5 | Very low | 36.8 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -54.7 | 137.8 | 146 | -71.1 | -87.9 | 0 | 0 | 0 | 109.9 | ||||
| 446 | P | 46.5 | Very low | 37.1 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | -142.9 | 165.6 | 111.8 | 37.4 | -22.9 | 0 | 0 | 0 | 115 | |||||
| 447 | D | 38.6 | Very low | 37.5 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | 24.1 | 115.4 | 158.2 | -64.4 | -57.5 | 0 | 0 | 0 | 122.6 | ||||
| 448 | Y | 41.7 | Very low | 37.7 | Very low | 228 Ų | 228 | 143.4 Ų | 143.4 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -141.7 | 24.9 | 139.8 | -93.4 | -72.2 | 0 | 0 | 0 | 112.8 | ||
| 449 | L | 44.2 | Very low | 38.1 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -107.3 | -4.6 | 172.3 | -80.8 | 174.9 | 0 | 0 | 0 | 114.2 | A451 | L449-A451 PolarHBondContact O-N 3.41Š|
| 450 | E | 43.8 | Very low | 37.7 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -99.3 | 61.8 | 172.3 | -164 | 178.4 | -154.3 | 0 | 0 | 111.4 | ||
| 451 | A | 44 | Very low | 37.9 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -156.9 | 33 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | L449 | L449-A451 PolarHBondContact O-N 3.41Š| ||
| 452 | I | 42 | Very low | 38.4 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -128.2 | 113.4 | 162 | -57.5 | -176.8 | 0 | 0 | 0 | 109.1 | ||||
| 453 | P | 39.6 | Very low | 38.7 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -79.9 | 137.1 | 178.2 | 31 | -32.9 | 0 | 0 | 0 | 111.9 | ||||
| 454 | G | 39.3 | Very low | 39.2 | Very low | 75 Ų | 75 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 113.3 | 18.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 455 | T | 35.8 | Very low | 39.3 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -125.9 | 69.6 | 168.2 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | V457 | T455-V457 PolarHBondContact O-N 2.98Š| ||
| 456 | N | 36.6 | Very low | 39.3 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 106.7 | 162.1 | -87.7 | 18.3 | 0 | 0 | 0 | 109.1 | ||||
| 457 | V | 38.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -91.8 | 98.9 | 157.3 | -81.4 | 0 | 0 | 0 | 0 | 107.7 | T455 | T455-V457 PolarHBondContact O-N 2.98Š| ||
| 458 | D | 32.8 | Very low | 38.8 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -93.5 | 135.1 | 169.9 | -167.9 | 11.8 | 0 | 0 | 0 | 109.6 | ||||
| 459 | L | 41.5 | Very low | 38.9 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -135.4 | 72 | -175.8 | -159.3 | 89.4 | 0 | 0 | 0 | 108.8 | ||||
| 460 | G | 34.1 | Very low | 38.6 | Very low | 49 Ų | 49 | 136 Ų | 136 | 51% | 0.505 | 80% | 0.796 | S | S | . | * | trans | -144.7 | 105.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 461 | T | 32.4 | Very low | 38.3 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 53.7 | 108.4 | 142.7 | 59.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 462 | L | 42.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | 45.9 | 105.7 | 118.7 | -166.3 | 120.3 | 0 | 0 | 0 | 119.8 | |||||
| 463 | E | 38.1 | Very low | 38 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | 171.1 | 149.9 | 143.8 | -94.4 | 156.5 | -155.9 | 0 | 0 | 104.7 | ||||
| 464 | G | 39.3 | Very low | 38 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | cis | 138 | 124.9 | 21.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 465 | D | 33.3 | Very low | 37.9 | Very low | 178 Ų | 178 | 144 Ų | 144 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | trans | 68.1 | 139 | 177.2 | -58.9 | -49 | 0 | 0 | 0 | 119.3 | ||||
| 466 | G | 39.9 | Very low | 38.2 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -115.4 | 161.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 467 | M | 36.9 | Very low | 38.2 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 95% | 0.946 | 80% | 0.803 | S | S | * | * | trans | -132 | 126.6 | 159.6 | -89.2 | -168.7 | -78.6 | 0 | 0 | 111.2 | ||||
| 468 | N | 38.5 | Very low | 38.7 | Very low | 119 Ų | 119 | 141 Ų | 141 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -61.8 | 134.4 | 167.3 | -176.7 | 29.9 | 0 | 0 | 0 | 110.2 | E470 | N468-E470 PolarHBondContact ND2-OE1 3.31Š| ||
| 469 | I | 43.3 | Very low | 39.5 | Very low | 168 Ų | 168 | 140 Ų | 140 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -143.3 | 125.4 | 154.1 | -104.1 | 157.2 | 0 | 0 | 0 | 107.9 | ||||
| 470 | E | 38.6 | Very low | 39.9 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -91 | 149.6 | -171.8 | -64.3 | 149.4 | -177.9 | 0 | 0 | 109.7 | N468 | N468-E470 PolarHBondContact ND2-OE1 3.31Š| ||
| 471 | G | 36.8 | Very low | 40.3 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -179.1 | 60.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 472 | E | 39.5 | Very low | 40.9 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | 8.2 | 118.7 | 153.4 | -38.6 | -55 | 117.1 | 0 | 0 | 118.7 | ||||
| 473 | E | 40 | Very low | 41.3 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | 173.1 | 96.9 | 118.5 | -93.2 | -175.4 | 176.6 | 0 | 0 | 114 | |||||
| 474 | L | 39.6 | Very low | 41.8 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | 8.8 | 110.4 | 150.8 | -59.6 | 169.6 | 0 | 0 | 0 | 120.6 | ||||
| 475 | M | 37.5 | Very low | 42.4 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | trans | -137.4 | 138.4 | 139.3 | -74.7 | -137 | 76.6 | 0 | 0 | 110.4 | ||||
| 476 | P | 41.7 | Very low | 43.5 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -77.3 | 132.6 | -176.8 | 30.2 | -33.9 | 0 | 0 | 0 | 112.5 | ||||
| 477 | S | 36.7 | Very low | 44.1 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -70.9 | 131.3 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | Q479 | S477-Q479 VanDerWaalsContact C-N 3.34Å; S477-Q479 VanDerWaalsContact OG-CB 3.3Å; S477-Q479 WeakPolarHBondContact OG-CB 3.47Å; S477-Q479 PolarHBondContact OG-N 3.03Å | ||
| 478 | L | 49.8 | Very low | 45 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | trans | -95.8 | 21.4 | 175.5 | -111.6 | 171.2 | 0 | 0 | 0 | 112.8 | ||||
| 479 | Q | 49.9 | Very low | 45.8 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 58% | 0.584 | 70% | 0.698 | S | S | * | * | trans | -89.4 | -16.5 | -164.2 | -166.4 | 52.6 | 71.2 | 0 | 0 | 115.8 | S477 | S477-Q479 VanDerWaalsContact C-N 3.34Å; S477-Q479 VanDerWaalsContact OG-CB 3.3Å; S477-Q479 WeakPolarHBondContact OG-CB 3.47Å; S477-Q479 PolarHBondContact OG-N 3.03Å | ||
| 480 | E | 48.6 | Very low | 46.3 | Very low | 178 Ų | 178 | 125.2 Ų | 125.2 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -88.6 | -17.1 | -177.1 | -91.4 | 177.9 | 111.6 | 0 | 0 | 115 | L482 | E480-L482 PolarHBondContact O-N 3.36Š|
| 481 | A | 43.5 | Very low | 47.1 | Very low | 64 Ų | 64 | 124.9 Ų | 124.9 | 53% | 0.529 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -78.2 | -18 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 482 | L | 44.5 | Very low | 48 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 56% | 0.56 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -92.7 | -18.1 | -175.2 | -61.3 | 177.7 | 0 | 0 | 0 | 113.6 | E480 I486 | E480-L482 PolarHBondContact O-N 3.36Å; L482-I486 VanDerWaalsContact O-CD1 3.28Å; L482-I486 WeakPolarHBondContact O-CD1 3.44Å; L482-I486 VanDerWaalsContact O-CG1 3.25Å; L482-I486 WeakPolarHBondContact O-CG1 3.36Å |
| 483 | S | 50.3 | Low | 48.8 | Very low | 63 Ų | 63 | 122 Ų | 122 | 44% | 0.441 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73 | -29 | -174 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | L487 | S483-L487 WeakPolarHBondContact O-CD1 3.39Å; S483-L487 WeakPolarHBondContact O-CG 3.42Å |
| 484 | S | 48.9 | Very low | 49.5 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81.5 | -41.4 | -173.6 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | N488 | S484-N488 PolarHBondContact O-N 2.8Å |
| 485 | D | 52.3 | Low | 50.1 | Low | 113 Ų | 113 | 113.2 Ų | 113.2 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69 | -40.7 | 177.7 | -73.1 | -79.2 | 0 | 0 | 0 | 111.9 | L487 N488 D489 | D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 2.94Å; D485-N488 PolarHBondContact O-N 3.02Å; D485-D489 PolarHBondContact O-N 3.06Å |
| 486 | I | 56.7 | Low | 50.8 | Low | 115 Ų | 115 | 108.3 Ų | 108.3 | 59% | 0.59 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.4 | -36.9 | -179.1 | -66.3 | 173 | 0 | 0 | 0 | 111.9 | L482 M490 | L482-I486 VanDerWaalsContact O-CD1 3.28Å; L482-I486 WeakPolarHBondContact O-CD1 3.44Å; L482-I486 VanDerWaalsContact O-CG1 3.25Å; L482-I486 WeakPolarHBondContact O-CG1 3.36Å; I486-M490 PolarHBondContact O-N 2.99Å |
| 487 | L | 51.9 | Low | 51 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 63% | 0.634 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.5 | -36 | 178 | -69.8 | 174.8 | 0 | 0 | 0 | 112.5 | S483 D485 M490 E491 | S483-L487 WeakPolarHBondContact O-CD1 3.39Å; S483-L487 WeakPolarHBondContact O-CG 3.42Å; D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 2.94Å; L487-M490 PolarHBondContact O-N 2.95Å; L487-E491 PolarHBondContact O-N 3.4Å |
| 488 | N | 56.4 | Low | 51.8 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 60% | 0.599 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69 | -40.2 | 179 | -169.8 | 55.3 | 0 | 0 | 0 | 112.2 | S484 D485 M490 E491 S492 | S484-N488 PolarHBondContact O-N 2.8Å; D485-N488 PolarHBondContact O-N 3.02Å; N488-M490 VanDerWaalsContact C-N 3.33Å; N488-M490 PolarHBondContact O-N 3.04Å; N488-E491 PolarHBondContact O-N 2.91Å; N488-S492 PolarHBondContact O-N 3.11Å |
| 489 | D | 55.3 | Low | 51.9 | Low | 114 Ų | 114 | 111 Ų | 111 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.4 | -35.2 | 173.3 | -93.9 | -7.7 | 0 | 0 | 0 | 112.2 | D485 S492 V493 | D485-D489 PolarHBondContact O-N 3.06Å; D489-S492 WeakPolarHBondContact O-CB 3.39Å; D489-S492 PolarHBondContact O-N 3.38Å; D489-V493 WeakPolarHBondContact O-CG2 3.49Å; D489-V493 PolarHBondContact O-N 3.33Å |
| 490 | M | 53.5 | Low | 51.6 | Low | 123 Ų | 123 | 110.7 Ų | 110.7 | 61% | 0.606 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.8 | -34.8 | 179.1 | -156 | 178.2 | -170.5 | 0 | 0 | 112.7 | I486 L487 N488 L494 | I486-M490 PolarHBondContact O-N 2.99Å; L487-M490 PolarHBondContact O-N 2.95Å; N488-M490 VanDerWaalsContact C-N 3.33Å; N488-M490 PolarHBondContact O-N 3.04Å; M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.36Å; M490-L494 VanDerWaalsContact O-N 3.11Å |
| 491 | E | 56 | Low | 51.4 | Low | 143 Ų | 143 | 112 Ų | 112 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.3 | -38.9 | 172.5 | -169.3 | 171.9 | 161.2 | 0 | 0 | 111.5 | L487 N488 L494 A495 | L487-E491 PolarHBondContact O-N 3.4Å; N488-E491 PolarHBondContact O-N 2.91Å; E491-L494 PolarHBondContact O-N 3.42Å; E491-A495 WeakPolarHBondContact O-CB 3.39Å; E491-A495 PolarHBondContact O-N 3.25Å |
| 492 | S | 54.9 | Low | 51.5 | Low | 78 Ų | 78 | 117.7 Ų | 117.7 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.8 | -43.3 | 176.3 | -165.4 | 0 | 0 | 0 | 0 | 112.6 | N488 D489 A495 A496 | N488-S492 PolarHBondContact O-N 3.11Å; D489-S492 WeakPolarHBondContact O-CB 3.39Å; D489-S492 PolarHBondContact O-N 3.38Å; S492-A495 PolarHBondContact O-N 3.49Å; S492-A496 PolarHBondContact O-N 3.47Å; S492-A496 VanDerWaalsContact O-N 3.08Å |
| 493 | V | 57.1 | Low | 51.3 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.8 | -40.9 | 175 | 174 | 0 | 0 | 0 | 0 | 111.5 | D489 A496 | D489-V493 WeakPolarHBondContact O-CG2 3.49Å; D489-V493 PolarHBondContact O-N 3.33Å; V493-A496 PolarHBondContact O-N 3.22Å |
| 494 | L | 54 | Low | 50.9 | Low | 111 Ų | 111 | 123.7 Ų | 123.7 | 58% | 0.581 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.1 | -39.3 | 178 | -74.6 | 166.7 | 0 | 0 | 0 | 112.1 | M490 E491 A496 T497 | M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.36Å; M490-L494 VanDerWaalsContact O-N 3.11Å; E491-L494 PolarHBondContact O-N 3.42Å; L494-A496 VanDerWaalsContact C-N 3.32Å; L494-A496 PolarHBondContact O-N 2.87Å; L494-T497 PolarHBondContact O-N 3.2Å; L494-T497 PolarHBondContact O-OG1 3.26Å |
| 495 | A | 51.7 | Low | 50.6 | Low | 71 Ų | 71 | 127.1 Ų | 127.1 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -62.2 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E491 S492 T497 K498 | E491-A495 WeakPolarHBondContact O-CB 3.39Å; E491-A495 PolarHBondContact O-N 3.25Å; S492-A495 PolarHBondContact O-N 3.49Å; A495-T497 PolarHBondContact O-N 3.01Å; A495-K498 PolarHBondContact O-N 3.19Å |
| 496 | A | 52.2 | Low | 50.2 | Low | 77 Ų | 77 | 127.1 Ų | 127.1 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.2 | -18.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S492 V493 L494 K498 | S492-A496 PolarHBondContact O-N 3.47Å; S492-A496 VanDerWaalsContact O-N 3.08Å; V493-A496 PolarHBondContact O-N 3.22Å; L494-A496 VanDerWaalsContact C-N 3.32Å; L494-A496 PolarHBondContact O-N 2.87Å; A496-K498 VanDerWaalsContact C-N 3.27Å; A496-K498 PolarHBondContact O-N 3.28Å |
| 497 | T | 47.3 | Very low | 49.4 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 2.8 | 178 | 64.8 | 0 | 0 | 0 | 0 | 114.7 | L494 A495 | L494-T497 PolarHBondContact O-N 3.2Å; L494-T497 PolarHBondContact O-OG1 3.26Å; A495-T497 PolarHBondContact O-N 3.01Å |
| 498 | K | 52.1 | Low | 48.8 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 18.8 | -171.1 | -131.6 | 171.5 | -173.9 | -67.5 | 0 | 115.7 | A495 A496 | A495-K498 PolarHBondContact O-N 3.19Å; A496-K498 VanDerWaalsContact C-N 3.27Å; A496-K498 PolarHBondContact O-N 3.28Å |
| 499 | L | 51.8 | Low | 48.5 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -141.7 | 136.6 | 155.3 | -77.8 | 117.1 | 0 | 0 | 0 | 105.3 | ||
| 500 | D | 45 | Very low | 48.1 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -132.2 | 137.7 | 15.7 | -66 | -78.2 | 0 | 0 | 0 | 111.3 | ||||
| 501 | K | 43.6 | Very low | 47.8 | Very low | 205 Ų | 205 | 142.4 Ų | 142.4 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -107.4 | 12.5 | 174.3 | -99.5 | -173 | 176.2 | -174.9 | 0 | 114.2 | ||
| 502 | E | 45.4 | Very low | 47.3 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -121.6 | -2.8 | -162.9 | -52.7 | -165.5 | 178.7 | 0 | 0 | 115 | ||
| 503 | S | 41.8 | Very low | 46.9 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -97.8 | 9.7 | -179.9 | -79.1 | 0 | 0 | 0 | 0 | 115.6 | L505 | S503-L505 PolarHBondContact O-N 3.22Š| ||
| 504 | F | 40.4 | Very low | 46.2 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -92.9 | 78.9 | 173.1 | -69.9 | -80.8 | 0 | 0 | 0 | 111.1 | ||||
| 505 | L | 44 | Very low | 45.6 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -178 | 149.3 | 157.4 | -101.5 | 156.8 | 0 | 0 | 0 | 110.5 | S503 | S503-L505 PolarHBondContact O-N 3.22Š| ||
| 506 | T | 43.9 | Very low | 45.1 | Very low | 113 Ų | 113 | 158.7 Ų | 158.7 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | trans | 72.7 | 122.9 | -166.9 | -24.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 507 | W | 38.9 | Very low | 44.6 | Very low | 244 Ų | 244 | 165.5 Ų | 165.5 | 92% | 0.924 | 82% | 0.82 | S | S | * | * | cis | -128.2 | 144.2 | 37.5 | -68.9 | 68.7 | 0 | 0 | 0 | 114.5 | ||||
| 508 | L | 40.6 | Very low | 44.3 | Very low | 235 Ų | 235 | 170.7 Ų | 170.7 | 100% | 1.23 | 84% | 0.835 | S | S | * | * | trans | -86.6 | 0 | 153.8 | -103.8 | 160.2 | 0 | 0 | 0 | 108.7 |
Retrieved 508 of 508 residues in 86.1 ms
(Link to these results)