| 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 | 40.6 | Very low | 42.9 | Very low | 238 Ų | 238 | 127.6 Ų | 127.6 | 100% | 1.172 | 76% | 0.762 | S | S | * | * | 0 | 96 | 0 | -85.5 | 163 | 160.9 | 0 | 0 | 105.5 | |||||
| 2 | A | 39.9 | Very low | 43 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | 69.7 | 127.9 | 75.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 3 | E | 42 | Very low | 43.6 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | cis | -142.7 | 140.8 | 35.6 | -57.3 | -115.3 | 95.1 | 0 | 0 | 108.2 | ||||
| 4 | F | 38.5 | Very low | 43.7 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | 43.1 | 117.7 | 81.4 | -68.3 | -85.3 | 0 | 0 | 0 | 111 | |||||
| 5 | G | 43.1 | Very low | 44.1 | Very low | 57 Ų | 57 | 140 Ų | 140 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | 77.7 | 122.7 | 58.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 6 | N | 41.3 | Very low | 44.4 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 85.8 | 146.1 | 172.2 | -44.8 | -36.7 | 0 | 0 | 0 | 114.9 | ||||
| 7 | G | 40.8 | Very low | 44.9 | Very low | 60 Ų | 60 | 139.6 Ų | 139.6 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | cis | -142.2 | 166.4 | 11.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | L | 48.8 | Very low | 45.1 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | 50.3 | 122.9 | 67.3 | -81.4 | 151.1 | 0 | 0 | 0 | 109.4 | |||||
| 9 | D | 41.9 | Very low | 45 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | cis | -179.4 | 167 | 29.2 | 173.5 | 46.3 | 0 | 0 | 0 | 108 | ||||
| 10 | S | 48.8 | Very low | 45.3 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 55.1 | 135 | 155.6 | 46.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 11 | G | 46.2 | Very low | 45.5 | Very low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | cis | 157.3 | -178.2 | 14.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 12 | M | 44.3 | Very low | 46.1 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 89.1 | 88.9 | -178.6 | -72.9 | 90.4 | -177.6 | 0 | 0 | 115.6 | ||||
| 13 | T | 51.1 | Low | 46 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | 82.7 | 99.9 | 86.4 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 14 | E | 44.8 | Very low | 45.9 | Very low | 202 Ų | 202 | 137.4 Ų | 137.4 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | -118.2 | 105.3 | 158.5 | -69.4 | -164.7 | 129.7 | 0 | 0 | 108.3 | ||||
| 15 | E | 50.1 | Low | 46.8 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 125.5 | 174.9 | -160.2 | 177.6 | 173.5 | 0 | 0 | 107.7 | ||||
| 16 | S | 48.5 | Very low | 46.6 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -98.7 | 119 | 171.9 | 43.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 17 | L | 52.1 | Low | 47 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -155.2 | 108.7 | 155.5 | -136.5 | 73.1 | 0 | 0 | 0 | 110.5 | ||||
| 18 | L | 49 | Very low | 46.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -78.1 | 146.9 | 173.3 | -86.4 | 148.4 | 0 | 0 | 0 | 111.2 | ||||
| 19 | D | 43.1 | Very low | 46.5 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -41.9 | 146.2 | 179.7 | -75.4 | -76.6 | 0 | 0 | 0 | 117.8 | ||||
| 20 | S | 52.3 | Low | 47.3 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -123.6 | 130.2 | 154.4 | -68 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 21 | D | 49 | Very low | 46.7 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -45.9 | 145.9 | -170.9 | -69.3 | -58.2 | 0 | 0 | 0 | 117.3 | ||||
| 22 | P | 53.6 | Low | 46.5 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 128.1 | 163.4 | 33.6 | -28.5 | 0 | 0 | 0 | 112.7 | ||
| 23 | G | 37.7 | Very low | 46.2 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 131.7 | 160 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 24 | H | 39.8 | Very low | 45.9 | Very low | 182 Ų | 182 | 141 Ų | 141 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 173.8 | 162.2 | -161.6 | 20.3 | 0 | 0 | 0 | 110 | ||
| 25 | P | 56.1 | Low | 45.7 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 60% | 0.597 | 81% | 0.814 | S | S | * | * | cis | -120.5 | -176.5 | -13.1 | 32.5 | -8.5 | 0 | 0 | 0 | 111.8 | ||||
| 26 | E | 38.8 | Very low | 45.5 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | 176.2 | 143.5 | 54.6 | -158.1 | 167.6 | 178 | 0 | 0 | 109.3 | |||||
| 27 | L | 50.7 | Low | 45.7 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 21.6 | 133.2 | 151 | -53 | 171.3 | 0 | 0 | 0 | 122.9 | ||||
| 28 | E | 38.7 | Very low | 44.9 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | 167.7 | 136.1 | 114.1 | -86.4 | 178.4 | -174.2 | 0 | 0 | 112.7 | |||||
| 29 | D | 40.7 | Very low | 44.5 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -82.5 | -177.8 | 174.8 | -157.9 | 18.8 | 0 | 0 | 0 | 110.1 | ||||
| 30 | P | 57.6 | Low | 44.6 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -131.8 | 174.9 | -17.7 | 34 | -13.6 | 0 | 0 | 0 | 114.5 | ||||
| 31 | G | 37.4 | Very low | 44 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 164.1 | 86.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 32 | V | 41.1 | Very low | 43.4 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | 31.5 | 126.5 | 134.5 | -174.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 33 | G | 39.1 | Very low | 42.9 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 172.8 | 94.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 34 | D | 44 | Very low | 42.8 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -47.1 | 141.4 | 175.8 | -54.6 | -95.5 | 0 | 0 | 0 | 114.9 | ||||
| 35 | E | 41 | Very low | 43.4 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | 175.3 | 105.2 | 131.2 | -94 | 176.3 | 177.8 | 0 | 0 | 111.2 | ||||
| 36 | E | 44.9 | Very low | 42.9 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -95.8 | 166.8 | 162.1 | -80.2 | -80.9 | 176.6 | 0 | 0 | 108.8 | ||||
| 37 | P | 54.1 | Low | 43.5 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | cis | -140.6 | 165.3 | 8.4 | 29.1 | -5.5 | 0 | 0 | 0 | 117.7 | ||||
| 38 | G | 33.7 | Very low | 43.9 | Very low | 59 Ų | 59 | 136 Ų | 136 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | 120.1 | 105 | 128.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 39 | L | 40.5 | Very low | 45 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | 159.9 | 121.7 | 97.4 | -87.5 | 159.4 | 0 | 0 | 0 | 110.6 | |||||
| 40 | E | 46.4 | Very low | 45.5 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 66.3 | 122.7 | 154.8 | -55.5 | -178.2 | 167.7 | 0 | 0 | 115.3 | ||||
| 41 | E | 38.6 | Very low | 45.2 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | -154.5 | 152.9 | 57.7 | -72.1 | 176.4 | 159.5 | 0 | 0 | 111.6 | |||||
| 42 | G | 36.9 | Very low | 46.4 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | -75 | 159.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 43 | E | 43.6 | Very low | 47.4 | Very low | 198 Ų | 198 | 131.2 Ų | 131.2 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -46.9 | 142.6 | 171.3 | -56.6 | 166.3 | 146.6 | 0 | 0 | 114.6 | ||||
| 44 | A | 35.7 | Very low | 48.6 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | -179.7 | 131.4 | 122.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 45 | A | 51.9 | Low | 49.9 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -58.4 | 133.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 46 | I | 45 | Very low | 51.8 | Low | 129 Ų | 129 | 126.6 Ų | 126.6 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | trans | -137.5 | 98 | 164.4 | -48.2 | 174.9 | 0 | 0 | 0 | 107.4 | D48 | I46-D48 WeakPolarHBondContact CG2-OD1 3.36Å; I46-D48 PolarHBondContact O-N 3.3Å; I46-D48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | E | 52.4 | Low | 53 | Low | 193 Ų | 193 | 127.6 Ų | 127.6 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -69.8 | 96.1 | 161.4 | -71.9 | 175.1 | 166.8 | 0 | 0 | 107.1 | P49 | E47-P49 WeakPolarHBondContact O-CD 3.48Š| ||
| 48 | D | 58.5 | Low | 54.1 | Low | 90 Ų | 90 | 124.9 Ų | 124.9 | 48% | 0.481 | 69% | 0.689 | S | S | . | * | trans | -79.1 | 117.4 | -179.1 | -96.1 | -34.4 | 0 | 0 | 0 | 111 | I46 E50 L51 | I46-D48 WeakPolarHBondContact CG2-OD1 3.36Å; I46-D48 PolarHBondContact O-N 3.3Å; I46-D48 VanDerWaalsContact O-N 3.14Å; D48-E50 PolarHBondContact O-N 2.98Å; D48-L51 PolarHBondContact O-N 3.14Å | ||
| 49 | P | 61 | Low | 56.3 | Low | 100 Ų | 100 | 130.2 Ų | 130.2 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -6 | -179.3 | 27.4 | -35.4 | 0 | 0 | 0 | 113.8 | E47 | E47-P49 WeakPolarHBondContact O-CD 3.48Š|
| 50 | E | 51.7 | Low | 58.2 | Low | 141 Ų | 141 | 128.8 Ų | 128.8 | 66% | 0.659 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.4 | -26.8 | 179.4 | -61.9 | -166.6 | 157.2 | 0 | 0 | 113 | D48 A53 I54 | D48-E50 PolarHBondContact O-N 2.98Å; E50-A53 PolarHBondContact O-N 3.12Å; E50-I54 WeakPolarHBondContact O-CG1 3.39Å; E50-I54 PolarHBondContact O-N 2.99Å; E50-I54 VanDerWaalsContact O-N 3.15Å |
| 51 | L | 51.3 | Low | 59.2 | Low | 125 Ų | 125 | 126.3 Ų | 126.3 | 65% | 0.654 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -73.4 | -30 | -180 | -71.4 | 169.9 | 0 | 0 | 0 | 112.7 | D48 K55 | D48-L51 PolarHBondContact O-N 3.14Å; L51-K55 WeakPolarHBondContact O-CB 3.41Å; L51-K55 PolarHBondContact O-N 3.11Å; L51-K55 VanDerWaalsContact O-N 3.11Å |
| 52 | E | 62.1 | Low | 60.8 | Low | 156 Ų | 156 | 122.8 Ų | 122.8 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71 | -37.2 | 173.2 | -66.4 | -167.1 | 155 | 0 | 0 | 111.8 | K55 A56 | E52-K55 PolarHBondContact O-N 3.4Å; E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.34Å |
| 53 | A | 64 | Low | 62.9 | Low | 62 Ų | 62 | 123.9 Ų | 123.9 | 51% | 0.512 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.7 | -37.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E50 R57 | E50-A53 PolarHBondContact O-N 3.12Å; A53-R57 PolarHBondContact O-N 3.21Å |
| 54 | I | 63.5 | Low | 64.3 | Low | 104 Ų | 104 | 120.8 Ų | 120.8 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.6 | -41.7 | 176.7 | -65.3 | 164.6 | 0 | 0 | 0 | 110.5 | E50 A56 R57 V58 | E50-I54 WeakPolarHBondContact O-CG1 3.39Å; E50-I54 PolarHBondContact O-N 2.99Å; E50-I54 VanDerWaalsContact O-N 3.15Å; I54-A56 PolarHBondContact O-N 3.21Å; I54-R57 PolarHBondContact O-N 3.5Å; I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 3.28Å |
| 55 | K | 71.9 | Confident | 66 | Low | 165 Ų | 165 | 119.3 Ų | 119.3 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64 | -38.2 | 177 | -172.3 | 175.4 | -178.9 | 176.9 | 0 | 112.7 | L51 E52 R57 R59 | L51-K55 WeakPolarHBondContact O-CB 3.41Å; L51-K55 PolarHBondContact O-N 3.11Å; L51-K55 VanDerWaalsContact O-N 3.11Å; E52-K55 PolarHBondContact O-N 3.4Å; K55-R57 VanDerWaalsContact C-N 3.35Å; K55-R59 PolarHBondContact O-N 2.96Å |
| 56 | A | 79.8 | Confident | 67.5 | Low | 52 Ų | 52 | 120.9 Ų | 120.9 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.8 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E52 I54 V58 R59 E60 | E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.34Å; I54-A56 PolarHBondContact O-N 3.21Å; A56-V58 PolarHBondContact O-N 3.21Å; A56-R59 PolarHBondContact O-N 3.42Å; A56-E60 PolarHBondContact O-N 2.99Å; A56-E60 VanDerWaalsContact O-N 3.12Å |
| 57 | R | 71.3 | Confident | 69.1 | Low | 197 Ų | 197 | 120.9 Ų | 120.9 | 74% | 0.743 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.8 | -33.9 | 179.8 | -130.1 | -175.7 | -175.8 | 173.9 | 2 | 113.9 | A53 I54 K55 M61 | A53-R57 PolarHBondContact O-N 3.21Å; I54-R57 PolarHBondContact O-N 3.5Å; K55-R57 VanDerWaalsContact C-N 3.35Å; R57-M61 WeakPolarHBondContact O-CB 3.46Å; R57-M61 PolarHBondContact O-N 3.21Å |
| 58 | V | 77.4 | Confident | 69.9 | Low | 63 Ų | 63 | 116.7 Ų | 116.7 | 38% | 0.382 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.9 | -40.8 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | I54 A56 M61 E62 | I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 3.28Å; A56-V58 PolarHBondContact O-N 3.21Å; V58-M61 PolarHBondContact O-N 3.47Å; V58-E62 HydrophobicContact CG1-CG 4.44Å; V58-E62 WeakPolarHBondContact O-CG 3.47Å; V58-E62 PolarHBondContact O-N 3.44Å |
| 59 | R | 78.8 | Confident | 71 | Confident | 171 Ų | 171 | 118.8 Ų | 118.8 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -42.8 | 178.4 | -167.4 | -177.4 | -136 | 164 | 3.6 | 112.8 | K55 A56 M61 E62 E63 | K55-R59 PolarHBondContact O-N 2.96Å; A56-R59 PolarHBondContact O-N 3.42Å; R59-M61 VanDerWaalsContact C-N 3.26Å; R59-M61 PolarHBondContact O-N 3.04Å; R59-E62 PolarHBondContact O-N 3.15Å; R59-E63 WeakPolarHBondContact O-CG 3.48Å; R59-E63 PolarHBondContact O-N 3.39Å |
| 60 | E | 79.9 | Confident | 72 | Confident | 125 Ų | 125 | 120.6 Ų | 120.6 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.2 | -38.4 | 174.9 | -72.2 | 178.8 | 169.2 | 0 | 0 | 111.3 | A56 E63 E64 | A56-E60 PolarHBondContact O-N 2.99Å; A56-E60 VanDerWaalsContact O-N 3.12Å; E60-E63 PolarHBondContact O-N 3.23Å; E60-E64 WeakPolarHBondContact O-CB 3.33Å; E60-E64 WeakPolarHBondContact O-CG 3.38Å; E60-E64 PolarHBondContact O-N 2.98Å |
| 61 | M | 67.8 | Low | 72.9 | Confident | 125 Ų | 125 | 119.3 Ų | 119.3 | 62% | 0.616 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71 | -34.5 | 177.7 | -166 | 168 | 66 | 0 | 0 | 112.9 | R57 V58 R59 A65 | R57-M61 WeakPolarHBondContact O-CB 3.46Å; R57-M61 PolarHBondContact O-N 3.21Å; V58-M61 PolarHBondContact O-N 3.47Å; R59-M61 VanDerWaalsContact C-N 3.26Å; R59-M61 PolarHBondContact O-N 3.04Å; M61-A65 VanDerWaalsContact O-CB 3.32Å; M61-A65 WeakPolarHBondContact O-CB 3.34Å; M61-A65 PolarHBondContact O-N 3.45Å |
| 62 | E | 72.3 | Confident | 73.8 | Confident | 116 Ų | 116 | 118.7 Ų | 118.7 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -43.7 | 173.3 | -74.3 | 174.1 | 171.2 | 0 | 0 | 111.4 | V58 R59 E64 A65 E66 | V58-E62 HydrophobicContact CG1-CG 4.44Å; V58-E62 WeakPolarHBondContact O-CG 3.47Å; V58-E62 PolarHBondContact O-N 3.44Å; R59-E62 PolarHBondContact O-N 3.15Å; E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 3.47Å; E62-A65 PolarHBondContact O-N 2.92Å; E62-E66 WeakPolarHBondContact O-CG 3.49Å; E62-E66 PolarHBondContact O-N 3.37Å |
| 63 | E | 80.6 | Confident | 74.4 | Confident | 99 Ų | 99 | 114.4 Ų | 114.4 | 46% | 0.463 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67 | -32.2 | 176.7 | -70.6 | 178.4 | -165.9 | 0 | 0 | 112.7 | R59 E60 K67 | R59-E63 WeakPolarHBondContact O-CG 3.48Å; R59-E63 PolarHBondContact O-N 3.39Å; E60-E63 PolarHBondContact O-N 3.23Å; E63-K67 WeakPolarHBondContact O-CG 3.47Å; E63-K67 PolarHBondContact O-N 3.05Å |
| 64 | E | 72.6 | Confident | 74.9 | Confident | 132 Ų | 132 | 116.7 Ų | 116.7 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.9 | -37.3 | 171.8 | -75.7 | -174.9 | 166.3 | 0 | 0 | 112.2 | E60 E62 K67 L68 | E60-E64 WeakPolarHBondContact O-CB 3.33Å; E60-E64 WeakPolarHBondContact O-CG 3.38Å; E60-E64 PolarHBondContact O-N 2.98Å; E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 3.47Å; E64-K67 PolarHBondContact O-N 3.44Å; E64-L68 PolarHBondContact O-N 3.17Å |
| 65 | A | 72.6 | Confident | 75.3 | Confident | 57 Ų | 57 | 114.9 Ų | 114.9 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M61 E62 L68 K69 | M61-A65 VanDerWaalsContact O-CB 3.32Å; M61-A65 WeakPolarHBondContact O-CB 3.34Å; M61-A65 PolarHBondContact O-N 3.45Å; E62-A65 PolarHBondContact O-N 2.92Å; A65-L68 PolarHBondContact O-N 2.95Å; A65-K69 WeakPolarHBondContact O-CB 3.34Å; A65-K69 PolarHBondContact O-N 3.3Å |
| 66 | E | 82.2 | Confident | 74.8 | Confident | 136 Ų | 136 | 113.1 Ų | 113.1 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 175.9 | -73.3 | -173.2 | 165.1 | 0 | 0 | 112.1 | E62 L68 K69 E70 | E62-E66 WeakPolarHBondContact O-CG 3.49Å; E62-E66 PolarHBondContact O-N 3.37Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.22Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.06Å; E66-K69 VanDerWaalsContact O-N 3.17Å; E66-E70 PolarHBondContact O-N 3.49Å |
| 67 | K | 80 | Confident | 74.2 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.3 | -37.9 | 174.9 | -73.3 | 172.7 | -174.1 | 160.2 | 0 | 112.4 | E63 E64 K69 E70 L71 | E63-K67 WeakPolarHBondContact O-CG 3.47Å; E63-K67 PolarHBondContact O-N 3.05Å; E64-K67 PolarHBondContact O-N 3.44Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K67-E70 PolarHBondContact O-N 3.37Å; K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 2.91Å |
| 68 | L | 69.5 | Low | 73.5 | Confident | 104 Ų | 104 | 114.3 Ų | 114.3 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 173.9 | -113 | 95.6 | 0 | 0 | 0 | 111.8 | E64 A65 E66 L71 Q72 | E64-L68 PolarHBondContact O-N 3.17Å; A65-L68 PolarHBondContact O-N 2.95Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.01Å; L68-Q72 WeakPolarHBondContact O-CB 3.22Å; L68-Q72 VanDerWaalsContact O-CG 3.29Å; L68-Q72 WeakPolarHBondContact O-CG 3.37Å; L68-Q72 PolarHBondContact O-N 2.83Å |
| 69 | K | 80.1 | Confident | 72.4 | Confident | 134 Ų | 134 | 117.5 Ų | 117.5 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.7 | -37.6 | 178.6 | -169.2 | 178.5 | -178.8 | -178.6 | 0 | 112.1 | A65 E66 K67 Q72 N73 | A65-K69 WeakPolarHBondContact O-CB 3.34Å; A65-K69 PolarHBondContact O-N 3.3Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.06Å; E66-K69 VanDerWaalsContact O-N 3.17Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K69-Q72 PolarHBondContact O-N 3.42Å; K69-N73 WeakPolarHBondContact O-CB 3.37Å; K69-N73 PolarHBondContact O-N 3.46Å; K69-N73 PolarHBondContact O-ND2 3.4Å |
| 70 | E | 82.3 | Confident | 71.3 | Confident | 138 Ų | 138 | 116.1 Ų | 116.1 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65 | -43.1 | 172.7 | -75.5 | -172.6 | 161.7 | 0 | 0 | 111.9 | E66 K67 Q72 N73 E74 | E66-E70 PolarHBondContact O-N 3.49Å; K67-E70 PolarHBondContact O-N 3.37Å; E70-Q72 VanDerWaalsContact C-N 3.34Å; E70-Q72 PolarHBondContact O-N 3.44Å; E70-N73 PolarHBondContact O-N 3.42Å; E70-E74 WeakPolarHBondContact O-CB 3.29Å; E70-E74 PolarHBondContact O-N 2.98Å |
| 71 | L | 71.7 | Confident | 70.2 | Confident | 115 Ų | 115 | 117.9 Ų | 117.9 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.5 | -39.1 | 174.7 | -73.4 | 167.8 | 0 | 0 | 0 | 112.2 | K67 L68 E74 V75 | K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 2.91Å; L68-L71 PolarHBondContact O-N 3.01Å; L71-E74 PolarHBondContact O-N 2.88Å; L71-V75 WeakPolarHBondContact O-CB 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.36Å |
| 72 | Q | 68.8 | Low | 69.1 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.8 | -45.6 | 173.7 | -74.8 | 173.1 | 2.7 | 0 | 0 | 111.4 | L68 K69 E70 E74 V75 E76 | L68-Q72 WeakPolarHBondContact O-CB 3.22Å; L68-Q72 VanDerWaalsContact O-CG 3.29Å; L68-Q72 WeakPolarHBondContact O-CG 3.37Å; L68-Q72 PolarHBondContact O-N 2.83Å; K69-Q72 PolarHBondContact O-N 3.42Å; E70-Q72 VanDerWaalsContact C-N 3.34Å; E70-Q72 PolarHBondContact O-N 3.44Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 2.94Å; Q72-V75 PolarHBondContact O-N 3.27Å; Q72-E76 WeakPolarHBondContact O-CB 3.18Å; Q72-E76 WeakPolarHBondContact O-CG 3.38Å; Q72-E76 PolarHBondContact O-N 2.9Å |
| 73 | N | 75.8 | Confident | 68.1 | Low | 67 Ų | 67 | 115.8 Ų | 115.8 | 36% | 0.358 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -35.2 | 177.1 | -73.6 | -23.4 | 0 | 0 | 0 | 112.6 | K69 E70 K77 | K69-N73 WeakPolarHBondContact O-CB 3.37Å; K69-N73 PolarHBondContact O-N 3.46Å; K69-N73 PolarHBondContact O-ND2 3.4Å; E70-N73 PolarHBondContact O-N 3.42Å; N73-K77 WeakPolarHBondContact O-CB 3.44Å; N73-K77 WeakPolarHBondContact O-CG 3.49Å; N73-K77 PolarHBondContact O-N 2.91Å |
| 74 | E | 73.9 | Confident | 66.6 | Low | 109 Ų | 109 | 115.9 Ų | 115.9 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.5 | -45.5 | 175.1 | -169 | 80.4 | -154.1 | 0 | 0 | 110.5 | E70 L71 Q72 K77 Q78 | E70-E74 WeakPolarHBondContact O-CB 3.29Å; E70-E74 PolarHBondContact O-N 2.98Å; L71-E74 PolarHBondContact O-N 2.88Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 2.94Å; E74-K77 PolarHBondContact O-N 2.83Å; E74-Q78 WeakPolarHBondContact O-CB 3.35Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.41Å; E74-Q78 PolarHBondContact O-N 3.34Å |
| 75 | V | 71.4 | Confident | 65.9 | Low | 67 Ų | 67 | 115.6 Ų | 115.6 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.9 | -41.5 | 177 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L71 Q72 Q78 M79 | L71-V75 WeakPolarHBondContact O-CB 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.36Å; Q72-V75 PolarHBondContact O-N 3.27Å; V75-Q78 PolarHBondContact O-N 3.48Å; V75-M79 HydrophobicContact CG1-CE 3.43Å; V75-M79 VanDerWaalsContact CG1-CE 3.43Å; V75-M79 HydrophobicContact CG1-CG 4.38Å; V75-M79 HydrophobicContact CG1-SD 3.98Å; V75-M79 WeakPolarHBondContact O-CB 3.21Å; V75-M79 WeakPolarHBondContact O-CG 3.39Å; V75-M79 PolarHBondContact O-N 3.3Å |
| 76 | E | 62.1 | Low | 64.7 | Low | 127 Ų | 127 | 118.2 Ų | 118.2 | 59% | 0.593 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.7 | -40.4 | 175.5 | -77 | -178 | 175.9 | 0 | 0 | 112.3 | Q72 M79 N80 | Q72-E76 WeakPolarHBondContact O-CB 3.18Å; Q72-E76 WeakPolarHBondContact O-CG 3.38Å; Q72-E76 PolarHBondContact O-N 2.9Å; E76-M79 PolarHBondContact O-N 3.36Å; E76-N80 PolarHBondContact O-N 3.35Å |
| 77 | K | 66.8 | Low | 63.1 | Low | 149 Ų | 149 | 114.2 Ų | 114.2 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.4 | -37.6 | 173.9 | -75.9 | 171.5 | -174.6 | 173.1 | 0 | 111.9 | N73 E74 N80 | N73-K77 WeakPolarHBondContact O-CB 3.44Å; N73-K77 WeakPolarHBondContact O-CG 3.49Å; N73-K77 PolarHBondContact O-N 2.91Å; E74-K77 PolarHBondContact O-N 2.83Å; K77-N80 PolarHBondContact O-N 3.29Å |
| 78 | Q | 56.6 | Low | 61.5 | Low | 125 Ų | 125 | 114.2 Ų | 114.2 | 58% | 0.584 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.3 | -31.3 | 175.6 | -73.8 | -179.4 | 12.3 | 0 | 0 | 112.4 | E74 V75 N80 L81 | E74-Q78 WeakPolarHBondContact O-CB 3.35Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.41Å; E74-Q78 PolarHBondContact O-N 3.34Å; V75-Q78 PolarHBondContact O-N 3.48Å; Q78-N80 PolarHBondContact O-N 2.82Å; Q78-L81 PolarHBondContact O-N 3.28Å |
| 79 | M | 55.3 | Low | 60.4 | Low | 130 Ų | 130 | 114.2 Ų | 114.2 | 64% | 0.64 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70 | -12.9 | 173.9 | -75.6 | 178 | 179.5 | 0 | 0 | 113.5 | V75 E76 | V75-M79 HydrophobicContact CG1-CE 3.43Å; V75-M79 VanDerWaalsContact CG1-CE 3.43Å; V75-M79 HydrophobicContact CG1-CG 4.38Å; V75-M79 HydrophobicContact CG1-SD 3.98Å; V75-M79 WeakPolarHBondContact O-CB 3.21Å; V75-M79 WeakPolarHBondContact O-CG 3.39Å; V75-M79 PolarHBondContact O-N 3.3Å; E76-M79 PolarHBondContact O-N 3.36Å |
| 80 | N | 56.1 | Low | 59.1 | Low | 143 Ų | 143 | 115.3 Ų | 115.3 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 6.3 | 179.5 | -134.6 | 20.9 | 0 | 0 | 0 | 114.4 | E76 K77 Q78 | E76-N80 PolarHBondContact O-N 3.35Å; K77-N80 PolarHBondContact O-N 3.29Å; Q78-N80 PolarHBondContact O-N 2.82Å |
| 81 | L | 56.9 | Low | 58.1 | Low | 161 Ų | 161 | 112.8 Ų | 112.8 | 84% | 0.843 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -128.6 | -5.4 | 179.1 | -75 | 177.5 | 0 | 0 | 0 | 117.4 | Q78 | Q78-L81 PolarHBondContact O-N 3.28Š|
| 82 | S | 43.3 | Very low | 58.3 | Low | 91 Ų | 91 | 109.7 Ų | 109.7 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | trans | -178.3 | 148.7 | 164.1 | -154.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 83 | P | 52.7 | Low | 58.8 | Low | 106 Ų | 106 | 110 Ų | 110 | 69% | 0.688 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 145.4 | -176.9 | 30.7 | -27 | 0 | 0 | 0 | 112.5 | ||
| 84 | P | 47.3 | Very low | 58.9 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 160.1 | 174 | 33 | -31.8 | 0 | 0 | 0 | 112.3 | ||
| 85 | P | 58 | Low | 59.4 | Low | 126 Ų | 126 | 113.9 Ų | 113.9 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -88.6 | 161.9 | -167.7 | 35.2 | -34.1 | 0 | 0 | 0 | 114.4 | ||
| 86 | A | 48.3 | Very low | 60 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 92% | 0.917 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 69.1 | 64.6 | 159 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 87 | G | 48.2 | Very low | 61 | Low | 52 Ų | 52 | 112.5 Ų | 112.5 | 54% | 0.536 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -165 | 161.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V89 | G87-V89 VanDerWaalsContact C-N 3.26Å; G87-V89 PolarHBondContact O-N 2.77Å |
| 88 | P | 46.3 | Very low | 62 | Low | 130 Ų | 130 | 110 Ų | 110 | 84% | 0.844 | 63% | 0.627 | S | S | * | * | trans | -65 | 95.7 | 171.7 | 27.6 | -30.3 | 0 | 0 | 0 | 107.6 | I90 | P88-I90 PolarHBondContact O-N 2.97Š| ||
| 89 | V | 46.4 | Very low | 63.5 | Low | 105 Ų | 105 | 104.6 Ų | 104.6 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | trans | -51.4 | 106.8 | 173.4 | -92.4 | 0 | 0 | 0 | 0 | 107.8 | G87 M91 | G87-V89 VanDerWaalsContact C-N 3.26Å; G87-V89 PolarHBondContact O-N 2.77Å; V89-M91 HydrophobicContact CB-CG 4.46Å; V89-M91 PolarHBondContact O-N 2.7Å | ||
| 90 | I | 53.6 | Low | 65.2 | Low | 156 Ų | 156 | 99.4 Ų | 99.4 | 80% | 0.8 | 58% | 0.578 | S | S | * | * | trans | -72.9 | 78.6 | 165.6 | -54.9 | 173.2 | 0 | 0 | 0 | 104.2 | P88 S92 | P88-I90 PolarHBondContact O-N 2.97Å; I90-S92 PolarHBondContact O-N 2.91Å | ||
| 91 | M | 60.5 | Low | 66.8 | Low | 86 Ų | 86 | 94.8 Ų | 94.8 | 42% | 0.424 | 56% | 0.56 | S | S | . | * | trans | -52.4 | 138 | 169.5 | -57.1 | -167.7 | 86.6 | 0 | 0 | 107.1 | V89 E95 K96 | V89-M91 HydrophobicContact CB-CG 4.46Å; V89-M91 PolarHBondContact O-N 2.7Å; M91-E95 HydrophobicContact CB-CB 4.48Å; M91-E95 HydrophobicContact CE-CB 4.48Å; M91-K96 HydrophobicContact CB-CD 4.39Å; M91-K96 HydrophobicContact CB-CG 3.82Å; M91-K96 VanDerWaalsContact O-CE 3.27Å; M91-K96 WeakPolarHBondContact O-CE 3.25Å | ||
| 92 | S | 76.3 | Confident | 68.6 | Low | 50 Ų | 50 | 89.9 Ų | 89.9 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | trans | -54.2 | 149.2 | -180 | 65 | 0 | 0 | 0 | 0 | 109.1 | I90 E94 E95 K96 | I90-S92 PolarHBondContact O-N 2.91Å; S92-E94 PolarHBondContact O-N 2.77Å; S92-E95 PolarHBondContact N-OE2 3.32Å; S92-E95 PolarHBondContact O-N 2.79Å; S92-E95 WeakPolarHBondContact OG-CB 3.11Å; S92-E95 WeakPolarHBondContact OG-CG 3.4Å; S92-E95 PolarHBondContact OG-N 3.45Å; S92-E95 PolarHBondContact OG-OE2 2.84Å; S92-K96 PolarHBondContact O-N 2.9Å; S92-K96 VanDerWaalsContact O-N 3.07Å | ||
| 93 | I | 78.4 | Confident | 71 | Confident | 118 Ų | 118 | 85.6 Ų | 85.6 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.1 | -37.3 | -178 | -65 | 171.5 | 0 | 0 | 0 | 109.6 | K96 M97 | I93-K96 PolarHBondContact O-N 3.42Å; I93-M97 HydrophobicContact CG2-CG 4.37Å; I93-M97 HydrophobicContact CG2-SD 3.97Å; I93-M97 WeakPolarHBondContact O-CB 3.36Å; I93-M97 WeakPolarHBondContact O-CG 3.37Å; I93-M97 PolarHBondContact O-N 3.07Å |
| 94 | E | 79.3 | Confident | 73 | Confident | 156 Ų | 156 | 80.6 Ų | 80.6 | 73% | 0.729 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.7 | -47.4 | 178.8 | -68.7 | 166.8 | 179.7 | 0 | 0 | 112.7 | S92 K96 M97 E98 | S92-E94 PolarHBondContact O-N 2.77Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.2Å; E94-M97 WeakPolarHBondContact O-CB 3.39Å; E94-M97 PolarHBondContact O-N 3.27Å; E94-M97 VanDerWaalsContact O-N 3.13Å; E94-E98 PolarHBondContact O-N 2.86Å |
| 95 | E | 82.8 | Confident | 75.3 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.7 | -73.3 | 164.5 | 150.3 | 0 | 0 | 112 | M91 S92 M97 E98 A99 | M91-E95 HydrophobicContact CB-CB 4.48Å; M91-E95 HydrophobicContact CE-CB 4.48Å; S92-E95 PolarHBondContact N-OE2 3.32Å; S92-E95 PolarHBondContact O-N 2.79Å; S92-E95 WeakPolarHBondContact OG-CB 3.11Å; S92-E95 WeakPolarHBondContact OG-CG 3.4Å; S92-E95 PolarHBondContact OG-N 3.45Å; S92-E95 PolarHBondContact OG-OE2 2.84Å; E95-M97 VanDerWaalsContact C-N 3.31Å; E95-M97 PolarHBondContact O-N 3.29Å; E95-E98 PolarHBondContact O-N 3.35Å; E95-A99 WeakPolarHBondContact O-CB 3.27Å; E95-A99 PolarHBondContact O-N 3.12Å |
| 96 | K | 84 | Confident | 77.1 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 41% | 0.409 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175.3 | -70.1 | -178.2 | 179.8 | 173.1 | 0 | 111.4 | M91 S92 I93 E94 E98 D100 | M91-K96 HydrophobicContact CB-CD 4.39Å; M91-K96 HydrophobicContact CB-CG 3.82Å; M91-K96 VanDerWaalsContact O-CE 3.27Å; M91-K96 WeakPolarHBondContact O-CE 3.25Å; S92-K96 PolarHBondContact O-N 2.9Å; S92-K96 VanDerWaalsContact O-N 3.07Å; I93-K96 PolarHBondContact O-N 3.42Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.2Å; K96-E98 VanDerWaalsContact C-N 3.33Å; K96-D100 WeakPolarHBondContact O-CB 3.48Å; K96-D100 PolarHBondContact O-N 2.79Å |
| 97 | M | 84.4 | Confident | 79.3 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 35% | 0.345 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.8 | -72.6 | -179.6 | 63.2 | 0 | 0 | 111.7 | I93 E94 E95 D100 A101 T179 | I93-M97 HydrophobicContact CG2-CG 4.37Å; I93-M97 HydrophobicContact CG2-SD 3.97Å; I93-M97 WeakPolarHBondContact O-CB 3.36Å; I93-M97 WeakPolarHBondContact O-CG 3.37Å; I93-M97 PolarHBondContact O-N 3.07Å; E94-M97 WeakPolarHBondContact O-CB 3.39Å; E94-M97 PolarHBondContact O-N 3.27Å; E94-M97 VanDerWaalsContact O-N 3.13Å; E95-M97 VanDerWaalsContact C-N 3.31Å; E95-M97 PolarHBondContact O-N 3.29Å; M97-D100 PolarHBondContact O-N 3.28Å; M97-A101 WeakPolarHBondContact O-CB 3.42Å; M97-A101 PolarHBondContact O-N 3.46Å; M97-T179 HydrophobicContact CB-CG2 4.4Å; M97-T179 HydrophobicContact CG-CG2 3.65Å |
| 98 | E | 87.4 | Confident | 81.5 | Confident | 97 Ų | 97 | 68.4 Ų | 68.4 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 178 | -178.5 | 152.5 | -133.8 | 0 | 0 | 112.9 | E94 E95 K96 D100 A101 R102 K153 | E94-E98 PolarHBondContact O-N 2.86Å; E95-E98 PolarHBondContact O-N 3.35Å; K96-E98 VanDerWaalsContact C-N 3.33Å; E98-D100 VanDerWaalsContact C-N 3.32Å; E98-A101 PolarHBondContact O-N 2.82Å; E98-R102 PolarHBondContact O-N 2.82Å; E98-R102 VanDerWaalsContact O-N 3.1Å; E98-K153 WeakPolarHBondContact OE1-CE 3.35Å; E98-K153 IonicContact OE1-NZ 2.74Å; E98-K153 PolarHBondContact OE1-NZ 3.4Å |
| 99 | A | 88.5 | Confident | 83.8 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | E95 A101 R102 S103 | E95-A99 WeakPolarHBondContact O-CB 3.27Å; E95-A99 PolarHBondContact O-N 3.12Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.22Å; A99-R102 CarbonylContact O-C 3.57Å; A99-R102 PolarHBondContact O-N 2.91Å; A99-R102 VanDerWaalsContact O-N 3.15Å; A99-S103 WeakPolarHBondContact O-CB 3.37Å; A99-S103 PolarHBondContact O-N 3.36Å; A99-S103 PolarHBondContact O-OG 3.36Å |
| 100 | D | 89.6 | Confident | 86 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 176 | -74.5 | -8.3 | 0 | 0 | 0 | 112 | K96 M97 E98 R102 S103 K177 T179 | K96-D100 WeakPolarHBondContact O-CB 3.48Å; K96-D100 PolarHBondContact O-N 2.79Å; M97-D100 PolarHBondContact O-N 3.28Å; E98-D100 VanDerWaalsContact C-N 3.32Å; D100-R102 VanDerWaalsContact C-N 3.27Å; D100-R102 PolarHBondContact O-N 3.5Å; D100-S103 PolarHBondContact O-N 2.9Å; D100-S103 VanDerWaalsContact O-N 3.11Å; D100-K177 HydrophobicContact CB-CD 4.32Å; D100-K177 WeakPolarHBondContact OD1-CD 3.48Å; D100-K177 WeakPolarHBondContact OD1-CE 3.33Å; D100-K177 IonicContact OD1-NZ 2.61Å; D100-K177 PolarHBondContact OD1-NZ 2.76Å; D100-T179 WeakPolarHBondContact OD2-CA 3.32Å |
| 101 | A | 90.9 | Very high | 87.9 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.5 | -27.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M97 E98 A99 | M97-A101 WeakPolarHBondContact O-CB 3.42Å; M97-A101 PolarHBondContact O-N 3.46Å; E98-A101 PolarHBondContact O-N 2.82Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.22Å |
| 102 | R | 93.8 | Very high | 89.3 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.9 | 172.5 | -71.5 | -174.8 | -68.6 | 158.6 | 3.1 | 113.6 | E98 A99 D100 F150 S151 K153 V156 | E98-R102 PolarHBondContact O-N 2.82Å; E98-R102 VanDerWaalsContact O-N 3.1Å; A99-R102 CarbonylContact O-C 3.57Å; A99-R102 PolarHBondContact O-N 2.91Å; A99-R102 VanDerWaalsContact O-N 3.15Å; D100-R102 VanDerWaalsContact C-N 3.27Å; D100-R102 PolarHBondContact O-N 3.5Å; R102-F150 PolarHBondContact O-N 3.17Å; R102-S151 VanDerWaalsContact CD-O 3.25Å; R102-S151 WeakPolarHBondContact CD-O 3.31Å; R102-S151 PolarHBondContact NH1-O 3.46Å; R102-K153 HydrophobicContact CG-CB 4.27Å; R102-K153 HydrophobicContact CG-CD 4.36Å; R102-K153 HydrophobicContact CG-CG 3.3Å; R102-V156 VanDerWaalsContact C-CG2 3.41Å; R102-V156 WeakPolarHBondContact O-CG2 3.44Å |
| 103 | S | 94.1 | Very high | 90 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.5 | -176.3 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | A99 D100 I148 K177 | A99-S103 WeakPolarHBondContact O-CB 3.37Å; A99-S103 PolarHBondContact O-N 3.36Å; A99-S103 PolarHBondContact O-OG 3.36Å; D100-S103 PolarHBondContact O-N 2.9Å; D100-S103 VanDerWaalsContact O-N 3.11Å; S103-I148 CarbonylContact C-O 3.45Å; S103-I148 WeakPolarHBondContact CA-O 3.29Å; S103-I148 WeakPolarHBondContact CB-O 3.42Å; S103-K177 VanDerWaalsContact O-CB 3.27Å; S103-K177 WeakPolarHBondContact O-CB 3.49Å; S103-K177 PolarHBondContact O-N 3.29Å |
| 104 | I | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 154.2 | 168.6 | 60.3 | 169.7 | 0 | 0 | 0 | 111.1 | V106 F122 Y147 I148 F150 V156 A159 V174 G175 | I104-V106 HydrophobicContact CD1-CG2 3.82Å; I104-V106 HydrophobicContact CG1-CG2 4.19Å; I104-F122 HydrophobicContact CD1-CD1 3.96Å; I104-F122 HydrophobicContact CD1-CE1 3.81Å; I104-F122 HydrophobicContact CD1-CE2 4.47Å; I104-F122 HydrophobicContact CD1-CG 4.35Å; I104-F122 HydrophobicContact CD1-CZ 4.08Å; I104-Y147 WeakPolarHBondContact O-CA 3.41Å; I104-I148 HydrophobicContact CD1-CB 4.14Å; I104-I148 HydrophobicContact CD1-CD1 4.26Å; I104-I148 HydrophobicContact CG1-CB 3.74Å; I104-I148 HydrophobicContact CG1-CG1 4.48Å; I104-I148 PolarHBondContact N-O 2.9Å; I104-I148 PolarHBondContact O-N 2.79Å; I104-I148 VanDerWaalsContact O-N 3.08Å; I104-F150 HydrophobicContact CB-CE2 4.33Å; I104-F150 HydrophobicContact CD1-CE2 3.58Å; I104-F150 HydrophobicContact CD1-CZ 3.79Å; I104-F150 HydrophobicContact CG1-CE2 3.63Å; I104-F150 HydrophobicContact CG1-CZ 4.27Å; I104-F150 HydrophobicContact CG2-CD2 4.45Å; I104-F150 HydrophobicContact CG2-CE2 3.85Å; I104-V156 HydrophobicContact CG2-CB 4.25Å; I104-V156 HydrophobicContact CG2-CG1 3.81Å; I104-V156 HydrophobicContact CG2-CG2 4.32Å; I104-A159 HydrophobicContact CD1-CB 3.89Å; I104-A159 HydrophobicContact CG2-CB 4.21Å; I104-V174 HydrophobicContact CB-CG1 4.37Å; I104-V174 HydrophobicContact CD1-CG1 4.05Å; I104-G175 CarbonylContact C-O 3.55Å; I104-G175 WeakPolarHBondContact CA-O 3.42Å |
| 105 | Y | 95.8 | Very high | 91.3 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 26% | 0.255 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.7 | 164.5 | 164.9 | -100.2 | 0 | 0 | 0 | 108.7 | F145 Y147 V174 G175 | Y105-F145 HydrophobicContact CE2-CB 3.98Å; Y105-F145 AromaticContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CE1 4.5Å; Y105-F145 HydrophobicContact CE2-CG 4.01Å; Y105-F145 AromaticContact CZ-CD1 3.47Å; Y105-F145 VanDerWaalsContact CZ-CD1 3.47Å; Y105-F145 AromaticContact CZ-CE1 3.93Å; Y105-F145 WeakPolarHBondContact OH-CD1 3.39Å; Y105-F145 WeakPolarHBondContact OH-CE1 3.33Å; Y105-Y147 HydrophobicContact CD2-CD1 4.33Å; Y105-Y147 AromaticContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CG-CE1 4.36Å; Y105-V174 CarbonylContact O-C 3.6Å; Y105-V174 WeakPolarHBondContact O-CA 2.85Å; Y105-G175 PolarHBondContact N-O 3.48Å; Y105-G175 PolarHBondContact O-N 3.45Å |
| 106 | V | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.7 | 174.1 | -168.6 | 0 | 0 | 0 | 0 | 108.3 | I104 V109 F122 F145 A146 I148 I172 K173 | I104-V106 HydrophobicContact CD1-CG2 3.82Å; I104-V106 HydrophobicContact CG1-CG2 4.19Å; V106-V109 HydrophobicContact CB-CG2 4.08Å; V106-V109 HydrophobicContact CG1-CG2 3.53Å; V106-F122 HydrophobicContact CG1-CE2 4.32Å; V106-F122 HydrophobicContact CG1-CZ 4.32Å; V106-F122 HydrophobicContact CG2-CE2 3.86Å; V106-F122 HydrophobicContact CG2-CZ 3.89Å; V106-F145 CarbonylContact O-C 3.54Å; V106-F145 VanDerWaalsContact O-CA 3.29Å; V106-F145 WeakPolarHBondContact O-CA 3.34Å; V106-A146 PolarHBondContact N-O 3.34Å; V106-A146 PolarHBondContact O-N 3.3Å; V106-I148 HydrophobicContact CG2-CD1 3.91Å; V106-I148 HydrophobicContact CG2-CG1 4.31Å; V106-I172 HydrophobicContact CG1-CB 4.15Å; V106-I172 HydrophobicContact CG1-CD1 4.03Å; V106-I172 HydrophobicContact CG1-CG2 4.44Å; V106-K173 CarbonylContact C-O 3.5Å; V106-K173 WeakPolarHBondContact CA-O 3.15Å |
| 107 | G | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 168 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V109 I172 K173 | G107-V109 PolarHBondContact O-N 3.46Å; G107-I172 WeakPolarHBondContact O-CA 3.14Å; G107-K173 PolarHBondContact N-O 2.8Å; G107-K173 PolarHBondContact O-N 2.85Å |
| 108 | N | 94.9 | Very high | 92.8 | Very high | 70 Ų | 70 | 44.3 Ų | 44.3 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 56.1 | 31.1 | -168.3 | -164.3 | 39.3 | 0 | 0 | 0 | 112.7 | G144 R170 Q171 | N108-G144 PolarHBondContact N-O 3.42Å; N108-R170 PolarHBondContact OD1-NH2 3.27Å; N108-Q171 PolarHBondContact ND2-O 2.94Å |
| 109 | V | 93.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | trans | -69.4 | 143.5 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | V106 G107 A113 L118 G144 F167 I172 | V106-V109 HydrophobicContact CB-CG2 4.08Å; V106-V109 HydrophobicContact CG1-CG2 3.53Å; G107-V109 PolarHBondContact O-N 3.46Å; V109-A113 HydrophobicContact CG1-CB 3.43Å; V109-A113 VanDerWaalsContact CG1-CB 3.43Å; V109-L118 HydrophobicContact CG1-CD1 4.35Å; V109-L118 HydrophobicContact CG1-CD2 4.09Å; V109-L118 HydrophobicContact CG2-CD2 4.46Å; V109-G144 PolarHBondContact N-O 2.74Å; V109-G144 WeakPolarHBondContact O-CA 3.34Å; V109-F167 HydrophobicContact CG1-CE1 4.23Å; V109-I172 HydrophobicContact CG2-CG2 4.47Å | ||
| 110 | D | 93.9 | Very high | 93.3 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 20% | 0.198 | 26% | 0.257 | C | S | . | . | trans | -63.2 | 148.2 | 176.7 | -170.6 | -113.7 | 0 | 0 | 0 | 112.1 | G112 A113 R168 R170 | D110-G112 VanDerWaalsContact C-N 3.25Å; D110-G112 PolarHBondContact O-N 3.49Å; D110-G112 PolarHBondContact OD1-N 2.94Å; D110-A113 WeakPolarHBondContact O-CB 3.5Å; D110-A113 PolarHBondContact O-N 3.28Å; D110-R168 HydrophobicContact CB-CB 4.32Å; D110-R168 IonicContact OD1-NE 3.7Å; D110-R170 IonicContact OD2-NH1 3.55Å | ||
| 111 | Y | 92.1 | Very high | 93.4 | Very high | 139 Ų | 139 | 48.2 Ų | 48.2 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.4 | -179.3 | -62.5 | -65.5 | 0 | 0 | 0 | 112.7 | A113 P142 | Y111-A113 VanDerWaalsContact C-N 3.33Å; Y111-P142 HydrophobicContact CD1-CB 4.25Å; Y111-P142 HydrophobicContact CD1-CG 3.97Å; Y111-P142 WeakPolarHBondContact CD1-O 3.31Å; Y111-P142 WeakPolarHBondContact CE1-O 3.27Å; Y111-P142 HydrophobicContact CG-CG 4.45Å; Y111-P142 WeakPolarHBondContact O-CG 3.16Å |
| 112 | G | 90.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 46 Ų | 46 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D110 R168 | D110-G112 VanDerWaalsContact C-N 3.25Å; D110-G112 PolarHBondContact O-N 3.49Å; D110-G112 PolarHBondContact OD1-N 2.94Å; G112-R168 PolarHBondContact O-NH1 3.41Å |
| 113 | A | 90.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | trans | -66.5 | 133.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V109 D110 Y111 I133 F167 | V109-A113 HydrophobicContact CG1-CB 3.43Å; V109-A113 VanDerWaalsContact CG1-CB 3.43Å; D110-A113 WeakPolarHBondContact O-CB 3.5Å; D110-A113 PolarHBondContact O-N 3.28Å; Y111-A113 VanDerWaalsContact C-N 3.33Å; A113-I133 WeakPolarHBondContact O-CD1 3.44Å; A113-F167 HydrophobicContact CB-CE1 3.62Å; A113-F167 HydrophobicContact CB-CZ 3.97Å | ||
| 114 | T | 93.5 | Very high | 93.2 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | trans | -96.2 | 161 | 172.7 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | E116 E117 L118 | T114-E116 VanDerWaalsContact C-N 3.27Å; T114-E116 PolarHBondContact O-N 3.17Å; T114-E117 PolarHBondContact N-OE2 2.95Å; T114-E117 PolarHBondContact O-N 3.45Å; T114-E117 VanDerWaalsContact OG1-CG 3.29Å; T114-E117 WeakPolarHBondContact OG1-CG 3.2Å; T114-E117 PolarHBondContact OG1-N 2.89Å; T114-L118 PolarHBondContact O-N 3.03Å | ||
| 115 | A | 92 | Very high | 92.9 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E117 L118 E119 V131 | A115-E117 PolarHBondContact O-N 3.13Å; A115-L118 PolarHBondContact O-N 3.4Å; A115-E119 WeakPolarHBondContact O-CB 3.47Å; A115-E119 PolarHBondContact O-N 3.11Å; A115-V131 HydrophobicContact CB-CB 4.13Å; A115-V131 HydrophobicContact CB-CG1 3.97Å |
| 116 | E | 93.9 | Very high | 92.8 | Very high | 154 Ų | 154 | 52 Ų | 52 | 72% | 0.72 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.7 | -41.5 | 178.4 | -62.6 | 176.6 | 178 | 0 | 0 | 112.3 | T114 E119 A120 | T114-E116 VanDerWaalsContact C-N 3.27Å; T114-E116 PolarHBondContact O-N 3.17Å; E116-E119 PolarHBondContact O-N 3.05Å; E116-A120 WeakPolarHBondContact O-CB 3.06Å; E116-A120 PolarHBondContact O-N 3.47Å |
| 117 | E | 94 | Very high | 92.7 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 177.5 | -74.9 | 174.1 | 171.3 | 0 | 0 | 112 | T114 A115 H121 F167 R168 | T114-E117 PolarHBondContact N-OE2 2.95Å; T114-E117 PolarHBondContact O-N 3.45Å; T114-E117 VanDerWaalsContact OG1-CG 3.29Å; T114-E117 WeakPolarHBondContact OG1-CG 3.2Å; T114-E117 PolarHBondContact OG1-N 2.89Å; A115-E117 PolarHBondContact O-N 3.13Å; E117-H121 WeakPolarHBondContact O-CB 3.49Å; E117-H121 PolarHBondContact O-N 3.42Å; E117-H121 VanDerWaalsContact O-N 3.07Å; E117-F167 HydrophobicContact CB-CE2 3.99Å; E117-F167 HydrophobicContact CB-CZ 3.85Å; E117-R168 VanDerWaalsContact CD-NH1 3.3Å; E117-R168 IonicContact OE1-CZ 3.95Å; E117-R168 IonicContact OE1-NH1 3Å; E117-R168 PolarHBondContact OE1-NH1 3.43Å; E117-R168 WeakPolarHBondContact OE2-CD 3.35Å; E117-R168 IonicContact OE2-CZ 3.77Å; E117-R168 IonicContact OE2-NE 4Å; E117-R168 IonicContact OE2-NH1 2.78Å; E117-R168 PolarHBondContact OE2-NH1 3.39Å |
| 118 | L | 93 | Very high | 92.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 175.5 | -71.2 | 172.1 | 0 | 0 | 0 | 110.9 | V109 T114 A115 A120 H121 F122 V131 I133 A146 I148 F167 | V109-L118 HydrophobicContact CG1-CD1 4.35Å; V109-L118 HydrophobicContact CG1-CD2 4.09Å; V109-L118 HydrophobicContact CG2-CD2 4.46Å; T114-L118 PolarHBondContact O-N 3.03Å; A115-L118 PolarHBondContact O-N 3.4Å; L118-A120 PolarHBondContact O-N 2.83Å; L118-H121 PolarHBondContact O-N 2.65Å; L118-F122 VanDerWaalsContact O-CD2 3.26Å; L118-F122 WeakPolarHBondContact O-CD2 3.26Å; L118-F122 PolarHBondContact O-N 2.91Å; L118-F122 VanDerWaalsContact O-N 3.12Å; L118-V131 HydrophobicContact CB-CG1 4.36Å; L118-V131 HydrophobicContact CD1-CG1 4.15Å; L118-I133 HydrophobicContact CD1-CD1 4.1Å; L118-I133 HydrophobicContact CD1-CG1 4.04Å; L118-A146 HydrophobicContact CD1-CB 3.74Å; L118-I148 HydrophobicContact CB-CD1 4.23Å; L118-F167 HydrophobicContact CD2-CE1 4.37Å; L118-F167 HydrophobicContact CD2-CE2 4.23Å; L118-F167 HydrophobicContact CD2-CZ 4.05Å; L118-F167 HydrophobicContact CG-CZ 4.41Å |
| 119 | E | 93.9 | Very high | 92.6 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 176.1 | -171.5 | 177.4 | 169.6 | 0 | 0 | 111.2 | A115 E116 H121 F122 H123 V128 V131 | A115-E119 WeakPolarHBondContact O-CB 3.47Å; A115-E119 PolarHBondContact O-N 3.11Å; E116-E119 PolarHBondContact O-N 3.05Å; E119-H121 VanDerWaalsContact C-N 3.32Å; E119-H121 PolarHBondContact O-N 3.15Å; E119-F122 CarbonylContact O-C 3.56Å; E119-F122 PolarHBondContact O-N 3.1Å; E119-H123 WeakPolarHBondContact O-CB 3.5Å; E119-H123 PolarHBondContact O-N 3.42Å; E119-V128 HydrophobicContact CG-CB 4.08Å; E119-V128 HydrophobicContact CG-CG1 4.33Å; E119-V128 HydrophobicContact CG-CG2 4.21Å; E119-V131 HydrophobicContact CB-CG2 4.36Å |
| 120 | A | 93.4 | Very high | 92.5 | Very high | 73 Ų | 73 | 64 Ų | 64 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E116 L118 F122 | E116-A120 WeakPolarHBondContact O-CB 3.06Å; E116-A120 PolarHBondContact O-N 3.47Å; L118-A120 PolarHBondContact O-N 2.83Å; A120-F122 PolarHBondContact O-N 2.96Å |
| 121 | H | 92.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 178.3 | -168.5 | 77.7 | 0 | 0 | 0 | 112.5 | E117 L118 E119 S165 F167 | E117-H121 WeakPolarHBondContact O-CB 3.49Å; E117-H121 PolarHBondContact O-N 3.42Å; E117-H121 VanDerWaalsContact O-N 3.07Å; L118-H121 PolarHBondContact O-N 2.65Å; E119-H121 VanDerWaalsContact C-N 3.32Å; E119-H121 PolarHBondContact O-N 3.15Å; H121-S165 PolarHBondContact NE2-OG 3.29Å; H121-F167 HydrophobicContact CB-CD2 4.42Å |
| 122 | F | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -95.9 | -3.5 | -178.6 | -70.8 | -75.2 | 0 | 0 | 0 | 114.2 | I104 V106 L118 E119 A120 G124 C125 G126 I148 F150 A159 L162 I172 V174 | I104-F122 HydrophobicContact CD1-CD1 3.96Å; I104-F122 HydrophobicContact CD1-CE1 3.81Å; I104-F122 HydrophobicContact CD1-CE2 4.47Å; I104-F122 HydrophobicContact CD1-CG 4.35Å; I104-F122 HydrophobicContact CD1-CZ 4.08Å; V106-F122 HydrophobicContact CG1-CE2 4.32Å; V106-F122 HydrophobicContact CG1-CZ 4.32Å; V106-F122 HydrophobicContact CG2-CE2 3.86Å; V106-F122 HydrophobicContact CG2-CZ 3.89Å; L118-F122 VanDerWaalsContact O-CD2 3.26Å; L118-F122 WeakPolarHBondContact O-CD2 3.26Å; L118-F122 PolarHBondContact O-N 2.91Å; L118-F122 VanDerWaalsContact O-N 3.12Å; E119-F122 CarbonylContact O-C 3.56Å; E119-F122 PolarHBondContact O-N 3.1Å; A120-F122 PolarHBondContact O-N 2.96Å; F122-G124 PolarHBondContact O-N 3.5Å; F122-C125 WeakPolarHBondContact O-CB 3.32Å; F122-C125 PolarHBondContact O-N 2.82Å; F122-G126 PolarHBondContact O-N 2.61Å; F122-I148 HydrophobicContact CD2-CD1 3.29Å; F122-I148 HydrophobicContact CE2-CD1 3.65Å; F122-I148 HydrophobicContact CG-CD1 4.06Å; F122-F150 HydrophobicContact CB-CE1 4.15Å; F122-F150 HydrophobicContact CB-CZ 4.05Å; F122-F150 HydrophobicContact CD1-CZ 4.4Å; F122-F150 HydrophobicContact CG-CZ 4.42Å; F122-A159 HydrophobicContact CD1-CB 3.96Å; F122-A159 HydrophobicContact CE1-CB 4.15Å; F122-L162 HydrophobicContact CD1-CD1 4.4Å; F122-I172 HydrophobicContact CE2-CD1 4.16Å; F122-I172 HydrophobicContact CZ-CD1 3.74Å; F122-V174 HydrophobicContact CE1-CG1 4.45Å; F122-V174 HydrophobicContact CE1-CG2 4.05Å; F122-V174 HydrophobicContact CZ-CG2 3.81Å |
| 123 | H | 91.2 | Very high | 92.7 | Very high | 130 Ų | 130 | 60 Ų | 60 | 60% | 0.602 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.2 | 178.7 | -170.5 | 76.5 | 0 | 0 | 0 | 112.4 | E119 C125 G126 | E119-H123 WeakPolarHBondContact O-CB 3.5Å; E119-H123 PolarHBondContact O-N 3.42Å; H123-C125 PolarHBondContact O-N 3.23Å; H123-G126 PolarHBondContact O-N 3.12Å |
| 124 | G | 89.9 | Confident | 92.7 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 83% | 0.825 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | F122 | F122-G124 PolarHBondContact O-N 3.5Š|
| 125 | C | 89.3 | Confident | 92.6 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -26.6 | 179.1 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | F122 H123 T158 A159 L162 | F122-C125 WeakPolarHBondContact O-CB 3.32Å; F122-C125 PolarHBondContact O-N 2.82Å; H123-C125 PolarHBondContact O-N 3.23Å; C125-T158 WeakPolarHBondContact CB-OG1 3.5Å; C125-T158 PolarHBondContact O-OG1 3.08Å; C125-A159 HydrophobicContact CB-CB 4.21Å; C125-L162 WeakPolarHBondContact SG-CD1 3.39Å |
| 126 | G | 92.1 | Very high | 92.6 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 19% | 0.186 | 36% | 0.358 | C | S | . | . | trans | 163.5 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F122 H123 | F122-G126 PolarHBondContact O-N 2.61Å; H123-G126 PolarHBondContact O-N 3.12Å | ||
| 127 | S | 94 | Very high | 92.4 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | trans | -70.9 | 127.7 | 178.2 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | F150 S151 | S127-F150 WeakPolarHBondContact O-CA 3.17Å; S127-F150 WeakPolarHBondContact O-CD1 3.15Å; S127-S151 WeakPolarHBondContact CB-OG 3.35Å; S127-S151 PolarHBondContact O-N 3.23Å; S127-S151 PolarHBondContact O-OG 2.92Å; S127-S151 PolarHBondContact OG-OG 2.91Å; S127-S151 VanDerWaalsContact OG-OG 3.12Å | ||
| 128 | V | 94.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 71.6 Ų | 71.6 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.8 | -179.2 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | E119 V131 I148 F150 | E119-V128 HydrophobicContact CG-CB 4.08Å; E119-V128 HydrophobicContact CG-CG1 4.33Å; E119-V128 HydrophobicContact CG-CG2 4.21Å; V128-V131 HydrophobicContact CG1-CG2 3.68Å; V128-I148 HydrophobicContact CB-CG2 4.49Å; V128-I148 HydrophobicContact CG1-CG2 3.7Å; V128-I148 HydrophobicContact CG2-CG2 4.02Å; V128-F150 HydrophobicContact CG2-CD1 3.92Å; V128-F150 HydrophobicContact CG2-CE1 3.7Å |
| 129 | N | 92.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 75.4 Ų | 75.4 | 45% | 0.449 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -43.1 | 173.7 | -79 | -5.2 | 0 | 0 | 0 | 111.6 | E149 S151 | N129-E149 HydrophobicContact CB-CB 4.47Å; N129-E149 HydrophobicContact CB-CG 4.24Å; N129-E149 PolarHBondContact N-O 3.29Å; N129-S151 PolarHBondContact OD1-OG 3.07Å |
| 130 | R | 92 | Very high | 91.8 | Very high | 158 Ų | 158 | 73.9 Ų | 73.9 | 60% | 0.596 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 135.7 | -172.8 | -173.9 | 177.5 | 176.9 | 166.7 | 4.3 | 112.3 | I148 E149 | R130-I148 WeakPolarHBondContact O-CA 3.12Å; R130-E149 HydrophobicContact CB-CB 4.15Å; R130-E149 PolarHBondContact N-O 3.49Å; R130-E149 PolarHBondContact O-N 2.8Å |
| 131 | V | 94.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.6 | 170.5 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | A115 L118 E119 V128 I148 | A115-V131 HydrophobicContact CB-CB 4.13Å; A115-V131 HydrophobicContact CB-CG1 3.97Å; L118-V131 HydrophobicContact CB-CG1 4.36Å; L118-V131 HydrophobicContact CD1-CG1 4.15Å; E119-V131 HydrophobicContact CB-CG2 4.36Å; V128-V131 HydrophobicContact CG1-CG2 3.68Å; V131-I148 HydrophobicContact CG1-CG1 4.28Å; V131-I148 HydrophobicContact CG2-CG1 4.34Å; V131-I148 HydrophobicContact CG2-CG2 4.37Å |
| 132 | T | 93.4 | Very high | 91.4 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 107.6 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | A146 Y147 | T132-A146 CarbonylContact O-C 3.48Å; T132-A146 VanDerWaalsContact O-CA 3.32Å; T132-A146 WeakPolarHBondContact O-CA 3.38Å; T132-Y147 PolarHBondContact N-O 3.49Å; T132-Y147 PolarHBondContact O-N 3.38Å |
| 133 | I | 93.7 | Very high | 91.3 | Very high | 51 Ų | 51 | 81.8 Ų | 81.8 | 26% | 0.262 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.2 | 174.2 | -58.8 | 174.8 | 0 | 0 | 0 | 108.7 | A113 L118 C135 A146 | A113-I133 WeakPolarHBondContact O-CD1 3.44Å; L118-I133 HydrophobicContact CD1-CD1 4.1Å; L118-I133 HydrophobicContact CD1-CG1 4.04Å; I133-C135 PolarHBondContact O-N 2.82Å; I133-A146 HydrophobicContact CG1-CB 4.19Å |
| 134 | L | 91.4 | Very high | 91.4 | Very high | 67 Ų | 67 | 75.9 Ų | 75.9 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112 | -177.7 | -138 | 75.5 | 0 | 0 | 0 | 110.2 | K143 F145 Y147 | L134-K143 VanDerWaalsContact O-CB 3.26Å; L134-K143 WeakPolarHBondContact O-CB 3.43Å; L134-K143 PolarHBondContact O-N 3.12Å; L134-F145 PolarHBondContact N-O 3.32Å; L134-Y147 HydrophobicContact CD1-CD2 4.43Å; L134-Y147 HydrophobicContact CD1-CE2 4.17Å; L134-Y147 HydrophobicContact CD2-CE2 4.39Å |
| 135 | C | 91 | Very high | 91.6 | Very high | 64 Ų | 64 | 75.1 Ų | 75.1 | 43% | 0.432 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 150.1 | 172.6 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | I133 | I133-C135 PolarHBondContact O-N 2.82Å |
| 136 | D | 91.6 | Very high | 91.8 | Very high | 59 Ų | 59 | 74 Ų | 74 | 32% | 0.316 | 39% | 0.387 | S | S | . | . | trans | -65.4 | 132.8 | 170.1 | 177.5 | 24.9 | 0 | 0 | 0 | 109.9 | F138 T139 G140 H141 | D136-F138 VanDerWaalsContact C-N 3.28Å; D136-F138 PolarHBondContact O-N 3.48Å; D136-F138 WeakPolarHBondContact OD1-CD2 3.29Å; D136-F138 PolarHBondContact OD1-N 2.78Å; D136-T139 WeakPolarHBondContact CB-OG1 3.22Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.38Å; D136-T139 PolarHBondContact OD2-N 3Å; D136-T139 PolarHBondContact OD2-OG1 2.84Å; D136-G140 WeakPolarHBondContact O-CA 3.19Å; D136-G140 PolarHBondContact O-N 3.41Å; D136-H141 PolarHBondContact N-O 2.95Å | ||
| 137 | K | 90.1 | Very high | 92 | Very high | 199 Ų | 199 | 76.5 Ų | 76.5 | 87% | 0.865 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -24 | -174.4 | -60.4 | -178.4 | -178.3 | -173.1 | 0 | 112.6 | ||
| 138 | F | 90.2 | Very high | 92 | Very high | 195 Ų | 195 | 73.3 Ų | 73.3 | 86% | 0.855 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -47.1 | -176.8 | -57.5 | -76.7 | 0 | 0 | 0 | 111.8 | D136 | D136-F138 VanDerWaalsContact C-N 3.28Å; D136-F138 PolarHBondContact O-N 3.48Å; D136-F138 WeakPolarHBondContact OD1-CD2 3.29Å; D136-F138 PolarHBondContact OD1-N 2.78Å |
| 139 | T | 90.2 | Very high | 92.1 | Very high | 80 Ų | 80 | 74.4 Ų | 74.4 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -16.6 | -177.7 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | D136 H141 | D136-T139 WeakPolarHBondContact CB-OG1 3.22Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.38Å; D136-T139 PolarHBondContact OD2-N 3Å; D136-T139 PolarHBondContact OD2-OG1 2.84Å; T139-H141 PolarHBondContact O-CE1 3.34Å; T139-H141 PolarHBondContact O-N 3.19Å; T139-H141 VanDerWaalsContact O-N 3.12Å; T139-H141 PolarHBondContact O-ND1 2.97Å; T139-H141 PolarHBondContact OG1-N 3.38Å |
| 140 | G | 87.5 | Confident | 92.2 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | trans | 68.8 | -1.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D136 | D136-G140 WeakPolarHBondContact O-CA 3.19Å; D136-G140 PolarHBondContact O-N 3.41Å | ||
| 141 | H | 87.8 | Confident | 92.3 | Very high | 129 Ų | 129 | 64.2 Ų | 64.2 | 60% | 0.597 | 33% | 0.332 | S | S | * | . | trans | -75.3 | 138 | -176.1 | -69.5 | 37.7 | 0 | 0 | 0 | 109.8 | D136 T139 K143 | D136-H141 PolarHBondContact N-O 2.95Å; T139-H141 PolarHBondContact O-CE1 3.34Å; T139-H141 PolarHBondContact O-N 3.19Å; T139-H141 VanDerWaalsContact O-N 3.12Å; T139-H141 PolarHBondContact O-ND1 2.97Å; T139-H141 PolarHBondContact OG1-N 3.38Å; H141-K143 PolarHBondContact O-N 2.86Å | ||
| 142 | P | 90.7 | Very high | 92.2 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 136.4 | 178.2 | 15.5 | -19.6 | 0 | 0 | 0 | 110 | Y111 G144 | Y111-P142 HydrophobicContact CD1-CB 4.25Å; Y111-P142 HydrophobicContact CD1-CG 3.97Å; Y111-P142 WeakPolarHBondContact CD1-O 3.31Å; Y111-P142 WeakPolarHBondContact CE1-O 3.27Å; Y111-P142 HydrophobicContact CG-CG 4.45Å; Y111-P142 WeakPolarHBondContact O-CG 3.16Å; P142-G144 PolarHBondContact O-N 3.41Å |
| 143 | K | 90.8 | Very high | 92.1 | Very high | 128 Ų | 128 | 70 Ų | 70 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -6.8 | -177.6 | -157.8 | 176.3 | 176 | 177.8 | 0 | 112.7 | L134 H141 F145 | L134-K143 VanDerWaalsContact O-CB 3.26Å; L134-K143 WeakPolarHBondContact O-CB 3.43Å; L134-K143 PolarHBondContact O-N 3.12Å; H141-K143 PolarHBondContact O-N 2.86Å; K143-F145 HydrophobicContact CB-CD2 4.02Å; K143-F145 HydrophobicContact CD-CD2 4.09Å; K143-F145 HydrophobicContact CD-CE2 4.44Å; K143-F145 HydrophobicContact CG-CD2 3.77Å; K143-F145 HydrophobicContact CG-CE2 4.01Å; K143-F145 WeakPolarHBondContact O-CD2 3.47Å; K143-F145 WeakPolarHBondContact O-CE2 3.35Å |
| 144 | G | 92.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 74.4 Ų | 74.4 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.9 | 24.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N108 V109 P142 | N108-G144 PolarHBondContact N-O 3.42Å; V109-G144 PolarHBondContact N-O 2.74Å; V109-G144 WeakPolarHBondContact O-CA 3.34Å; P142-G144 PolarHBondContact O-N 3.41Å |
| 145 | F | 94 | Very high | 92.1 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.4 | 178.2 | -54.7 | -67.8 | 0 | 0 | 0 | 111 | Y105 V106 L134 K143 | Y105-F145 HydrophobicContact CE2-CB 3.98Å; Y105-F145 AromaticContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CD1 3.65Å; Y105-F145 HydrophobicContact CE2-CE1 4.5Å; Y105-F145 HydrophobicContact CE2-CG 4.01Å; Y105-F145 AromaticContact CZ-CD1 3.47Å; Y105-F145 VanDerWaalsContact CZ-CD1 3.47Å; Y105-F145 AromaticContact CZ-CE1 3.93Å; Y105-F145 WeakPolarHBondContact OH-CD1 3.39Å; Y105-F145 WeakPolarHBondContact OH-CE1 3.33Å; V106-F145 CarbonylContact O-C 3.54Å; V106-F145 VanDerWaalsContact O-CA 3.29Å; V106-F145 WeakPolarHBondContact O-CA 3.34Å; L134-F145 PolarHBondContact N-O 3.32Å; K143-F145 HydrophobicContact CB-CD2 4.02Å; K143-F145 HydrophobicContact CD-CD2 4.09Å; K143-F145 HydrophobicContact CD-CE2 4.44Å; K143-F145 HydrophobicContact CG-CD2 3.77Å; K143-F145 HydrophobicContact CG-CE2 4.01Å; K143-F145 WeakPolarHBondContact O-CD2 3.47Å; K143-F145 WeakPolarHBondContact O-CE2 3.35Å |
| 146 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | V106 L118 T132 I133 | V106-A146 PolarHBondContact N-O 3.34Å; V106-A146 PolarHBondContact O-N 3.3Å; L118-A146 HydrophobicContact CD1-CB 3.74Å; T132-A146 CarbonylContact O-C 3.48Å; T132-A146 VanDerWaalsContact O-CA 3.32Å; T132-A146 WeakPolarHBondContact O-CA 3.38Å; I133-A146 HydrophobicContact CG1-CB 4.19Å |
| 147 | Y | 95.3 | Very high | 92.3 | Very high | 70 Ų | 70 | 75 Ų | 75 | 28% | 0.275 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137 | 167.9 | -62 | -73.3 | 0 | 0 | 0 | 109 | I104 Y105 T132 L134 K177 | I104-Y147 WeakPolarHBondContact O-CA 3.41Å; Y105-Y147 HydrophobicContact CD2-CD1 4.33Å; Y105-Y147 AromaticContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CD2-CE1 3.7Å; Y105-Y147 HydrophobicContact CG-CE1 4.36Å; T132-Y147 PolarHBondContact N-O 3.49Å; T132-Y147 PolarHBondContact O-N 3.38Å; L134-Y147 HydrophobicContact CD1-CD2 4.43Å; L134-Y147 HydrophobicContact CD1-CE2 4.17Å; L134-Y147 HydrophobicContact CD2-CE2 4.39Å; Y147-K177 HydrophobicContact CD1-CB 4.46Å; Y147-K177 HydrophobicContact CD1-CD 3.87Å; Y147-K177 HydrophobicContact CD1-CG 3.82Å; Y147-K177 HydrophobicContact CE1-CD 4.37Å; Y147-K177 HydrophobicContact CE1-CG 3.94Å; Y147-K177 HydrophobicContact CG-CD 4.43Å |
| 148 | I | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.5 | 177.7 | -57 | 177.4 | 0 | 0 | 0 | 106.9 | S103 I104 V106 L118 F122 V128 R130 V131 F150 | S103-I148 CarbonylContact C-O 3.45Å; S103-I148 WeakPolarHBondContact CA-O 3.29Å; S103-I148 WeakPolarHBondContact CB-O 3.42Å; I104-I148 HydrophobicContact CD1-CB 4.14Å; I104-I148 HydrophobicContact CD1-CD1 4.26Å; I104-I148 HydrophobicContact CG1-CB 3.74Å; I104-I148 HydrophobicContact CG1-CG1 4.48Å; I104-I148 PolarHBondContact N-O 2.9Å; I104-I148 PolarHBondContact O-N 2.79Å; I104-I148 VanDerWaalsContact O-N 3.08Å; V106-I148 HydrophobicContact CG2-CD1 3.91Å; V106-I148 HydrophobicContact CG2-CG1 4.31Å; L118-I148 HydrophobicContact CB-CD1 4.23Å; F122-I148 HydrophobicContact CD2-CD1 3.29Å; F122-I148 HydrophobicContact CE2-CD1 3.65Å; F122-I148 HydrophobicContact CG-CD1 4.06Å; V128-I148 HydrophobicContact CB-CG2 4.49Å; V128-I148 HydrophobicContact CG1-CG2 3.7Å; V128-I148 HydrophobicContact CG2-CG2 4.02Å; R130-I148 WeakPolarHBondContact O-CA 3.12Å; V131-I148 HydrophobicContact CG1-CG1 4.28Å; V131-I148 HydrophobicContact CG2-CG1 4.34Å; V131-I148 HydrophobicContact CG2-CG2 4.37Å; I148-F150 HydrophobicContact CG2-CE1 4.18Å; I148-F150 HydrophobicContact CG2-CE2 4.33Å; I148-F150 HydrophobicContact CG2-CZ 4.03Å |
| 149 | E | 94.7 | Very high | 92.6 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125 | 174.8 | -174.2 | -175.2 | 152.9 | 0 | 0 | 108.7 | N129 R130 | N129-E149 HydrophobicContact CB-CB 4.47Å; N129-E149 HydrophobicContact CB-CG 4.24Å; N129-E149 PolarHBondContact N-O 3.29Å; R130-E149 HydrophobicContact CB-CB 4.15Å; R130-E149 PolarHBondContact N-O 3.49Å; R130-E149 PolarHBondContact O-N 2.8Å |
| 150 | F | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 159.4 | 174.9 | -65.3 | -76.1 | 0 | 0 | 0 | 111.7 | R102 I104 F122 S127 V128 I148 D152 V156 A159 | R102-F150 PolarHBondContact O-N 3.17Å; I104-F150 HydrophobicContact CB-CE2 4.33Å; I104-F150 HydrophobicContact CD1-CE2 3.58Å; I104-F150 HydrophobicContact CD1-CZ 3.79Å; I104-F150 HydrophobicContact CG1-CE2 3.63Å; I104-F150 HydrophobicContact CG1-CZ 4.27Å; I104-F150 HydrophobicContact CG2-CD2 4.45Å; I104-F150 HydrophobicContact CG2-CE2 3.85Å; F122-F150 HydrophobicContact CB-CE1 4.15Å; F122-F150 HydrophobicContact CB-CZ 4.05Å; F122-F150 HydrophobicContact CD1-CZ 4.4Å; F122-F150 HydrophobicContact CG-CZ 4.42Å; S127-F150 WeakPolarHBondContact O-CA 3.17Å; S127-F150 WeakPolarHBondContact O-CD1 3.15Å; V128-F150 HydrophobicContact CG2-CD1 3.92Å; V128-F150 HydrophobicContact CG2-CE1 3.7Å; I148-F150 HydrophobicContact CG2-CE1 4.18Å; I148-F150 HydrophobicContact CG2-CE2 4.33Å; I148-F150 HydrophobicContact CG2-CZ 4.03Å; F150-D152 VanDerWaalsContact C-N 3.3Å; F150-V156 HydrophobicContact CD2-CG2 4.19Å; F150-A159 HydrophobicContact CE2-CB 3.95Å; F150-A159 HydrophobicContact CZ-CB 3.93Å |
| 151 | S | 93.3 | Very high | 93 | Very high | 29 Ų | 29 | 61.5 Ų | 61.5 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -65.3 | -36.9 | 169.7 | -46.6 | 0 | 0 | 0 | 0 | 111.3 | R102 S127 N129 | R102-S151 VanDerWaalsContact CD-O 3.25Å; R102-S151 WeakPolarHBondContact CD-O 3.31Å; R102-S151 PolarHBondContact NH1-O 3.46Å; S127-S151 WeakPolarHBondContact CB-OG 3.35Å; S127-S151 PolarHBondContact O-N 3.23Å; S127-S151 PolarHBondContact O-OG 2.92Å; S127-S151 PolarHBondContact OG-OG 2.91Å; S127-S151 VanDerWaalsContact OG-OG 3.12Å; N129-S151 PolarHBondContact OD1-OG 3.07Å |
| 152 | D | 92.9 | Very high | 93.2 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -115.4 | 149.4 | -174.7 | -58.8 | -53.5 | 0 | 0 | 0 | 113.6 | F150 E154 | F150-D152 VanDerWaalsContact C-N 3.3Å; D152-E154 VanDerWaalsContact C-N 3.28Å; D152-E154 PolarHBondContact O-N 3Å |
| 153 | K | 91.4 | Very high | 93.3 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.9 | -25.3 | 173.6 | -68.3 | 174.7 | -175.3 | 163.5 | 0 | 112 | E98 R102 V156 | E98-K153 WeakPolarHBondContact OE1-CE 3.35Å; E98-K153 IonicContact OE1-NZ 2.74Å; E98-K153 PolarHBondContact OE1-NZ 3.4Å; R102-K153 HydrophobicContact CG-CB 4.27Å; R102-K153 HydrophobicContact CG-CD 4.36Å; R102-K153 HydrophobicContact CG-CG 3.3Å; K153-V156 WeakPolarHBondContact O-CB 3.29Å; K153-V156 PolarHBondContact O-N 3.02Å |
| 154 | E | 92.4 | Very high | 93.4 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 67% | 0.673 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.6 | -34.7 | 179.8 | -59.1 | -164.2 | 158.1 | 0 | 0 | 112 | D152 V156 R157 T158 | D152-E154 VanDerWaalsContact C-N 3.28Å; D152-E154 PolarHBondContact O-N 3Å; E154-V156 PolarHBondContact O-N 3.05Å; E154-V156 VanDerWaalsContact O-N 3.17Å; E154-R157 WeakPolarHBondContact O-CB 3.26Å; E154-R157 PolarHBondContact O-N 3.23Å; E154-T158 PolarHBondContact O-N 2.73Å |
| 155 | S | 93.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.5 | -29.5 | 175.6 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | R157 T158 A159 | S155-R157 VanDerWaalsContact C-N 3.33Å; S155-R157 PolarHBondContact O-N 3Å; S155-T158 WeakPolarHBondContact CA-OG1 3.11Å; S155-T158 PolarHBondContact O-OG1 3.08Å; S155-A159 WeakPolarHBondContact O-CB 3.45Å; S155-A159 PolarHBondContact O-N 3.38Å |
| 156 | V | 93.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | R102 I104 F150 K153 E154 M160 V176 | R102-V156 VanDerWaalsContact C-CG2 3.41Å; R102-V156 WeakPolarHBondContact O-CG2 3.44Å; I104-V156 HydrophobicContact CG2-CB 4.25Å; I104-V156 HydrophobicContact CG2-CG1 3.81Å; I104-V156 HydrophobicContact CG2-CG2 4.32Å; F150-V156 HydrophobicContact CD2-CG2 4.19Å; K153-V156 WeakPolarHBondContact O-CB 3.29Å; K153-V156 PolarHBondContact O-N 3.02Å; E154-V156 PolarHBondContact O-N 3.05Å; E154-V156 VanDerWaalsContact O-N 3.17Å; V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.11Å; V156-M160 PolarHBondContact O-N 3.42Å; V156-V176 HydrophobicContact CG1-CG1 4.4Å; V156-V176 HydrophobicContact CG1-CG2 4.14Å |
| 157 | R | 92.9 | Very high | 93.2 | Very high | 188 Ų | 188 | 64 Ų | 64 | 71% | 0.709 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.6 | -40.9 | -178.6 | -61.9 | 179.7 | 178.5 | 164.5 | 0 | 111.4 | E154 S155 M160 A161 | E154-R157 WeakPolarHBondContact O-CB 3.26Å; E154-R157 PolarHBondContact O-N 3.23Å; S155-R157 VanDerWaalsContact C-N 3.33Å; S155-R157 PolarHBondContact O-N 3Å; R157-M160 WeakPolarHBondContact O-CB 3.39Å; R157-M160 PolarHBondContact O-N 2.84Å; R157-A161 PolarHBondContact O-N 2.84Å |
| 158 | T | 93.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | C125 E154 S155 M160 A161 | C125-T158 WeakPolarHBondContact CB-OG1 3.5Å; C125-T158 PolarHBondContact O-OG1 3.08Å; E154-T158 PolarHBondContact O-N 2.73Å; S155-T158 WeakPolarHBondContact CA-OG1 3.11Å; S155-T158 PolarHBondContact O-OG1 3.08Å; T158-M160 VanDerWaalsContact C-N 3.31Å; T158-M160 PolarHBondContact O-N 2.85Å; T158-A161 VanDerWaalsContact O-CB 3.29Å; T158-A161 WeakPolarHBondContact O-CB 3.49Å; T158-A161 PolarHBondContact O-N 2.89Å |
| 159 | A | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.6 | -33.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I104 F122 C125 F150 S155 A161 L162 V174 | I104-A159 HydrophobicContact CD1-CB 3.89Å; I104-A159 HydrophobicContact CG2-CB 4.21Å; F122-A159 HydrophobicContact CD1-CB 3.96Å; F122-A159 HydrophobicContact CE1-CB 4.15Å; C125-A159 HydrophobicContact CB-CB 4.21Å; F150-A159 HydrophobicContact CE2-CB 3.95Å; F150-A159 HydrophobicContact CZ-CB 3.93Å; S155-A159 WeakPolarHBondContact O-CB 3.45Å; S155-A159 PolarHBondContact O-N 3.38Å; A159-A161 PolarHBondContact O-N 2.68Å; A159-L162 WeakPolarHBondContact O-CB 3.29Å; A159-L162 PolarHBondContact O-N 3.46Å; A159-V174 WeakPolarHBondContact O-CG1 3.44Å |
| 160 | M | 93.4 | Very high | 92.5 | Very high | 89 Ų | 89 | 71.8 Ų | 71.8 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.9 | -26.1 | 171.6 | -77.7 | -177.3 | 68 | 0 | 0 | 113.1 | V156 R157 T158 L162 D163 V176 | V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.11Å; V156-M160 PolarHBondContact O-N 3.42Å; R157-M160 WeakPolarHBondContact O-CB 3.39Å; R157-M160 PolarHBondContact O-N 2.84Å; T158-M160 VanDerWaalsContact C-N 3.31Å; T158-M160 PolarHBondContact O-N 2.85Å; M160-L162 PolarHBondContact O-N 3.43Å; M160-D163 WeakPolarHBondContact O-CB 3.5Å; M160-D163 PolarHBondContact O-N 2.92Å; M160-V176 HydrophobicContact CE-CG2 4.34Å; M160-V176 HydrophobicContact CG-CG2 4.43Å; M160-V176 HydrophobicContact SD-CG2 3.41Å; M160-V176 WeakPolarHBondContact SD-CG2 3.41Å |
| 161 | A | 92.4 | Very high | 92.5 | Very high | 85 Ų | 85 | 77.4 Ų | 77.4 | 70% | 0.702 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R157 T158 A159 D163 | R157-A161 PolarHBondContact O-N 2.84Å; T158-A161 VanDerWaalsContact O-CB 3.29Å; T158-A161 WeakPolarHBondContact O-CB 3.49Å; T158-A161 PolarHBondContact O-N 2.89Å; A159-A161 PolarHBondContact O-N 2.68Å; A161-D163 VanDerWaalsContact C-N 3.27Å |
| 162 | L | 90.2 | Very high | 92.6 | Very high | 60 Ų | 60 | 76.1 Ų | 76.1 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 16.5 | 172.6 | -62.8 | -172 | 0 | 0 | 0 | 113.2 | F122 C125 A159 M160 S165 | F122-L162 HydrophobicContact CD1-CD1 4.4Å; C125-L162 WeakPolarHBondContact SG-CD1 3.39Å; A159-L162 WeakPolarHBondContact O-CB 3.29Å; A159-L162 PolarHBondContact O-N 3.46Å; M160-L162 PolarHBondContact O-N 3.43Å; L162-S165 VanDerWaalsContact O-CB 3.29Å; L162-S165 WeakPolarHBondContact O-CB 3.47Å; L162-S165 PolarHBondContact O-N 3.29Å; L162-S165 PolarHBondContact O-OG 3.34Å |
| 163 | D | 93.7 | Very high | 92.7 | Very high | 64 Ų | 64 | 78 Ų | 78 | 34% | 0.342 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 144.5 | 169.6 | -168.1 | 34.8 | 0 | 0 | 0 | 110.6 | M160 A161 S165 K173 V174 | M160-D163 WeakPolarHBondContact O-CB 3.5Å; M160-D163 PolarHBondContact O-N 2.92Å; A161-D163 VanDerWaalsContact C-N 3.27Å; D163-S165 PolarHBondContact O-N 3.46Å; D163-S165 VanDerWaalsContact O-N 3.12Å; D163-K173 WeakPolarHBondContact OD1-CA 3.44Å; D163-V174 HydrophobicContact CB-CB 4.39Å; D163-V174 PolarHBondContact OD1-N 3.4Å |
| 164 | E | 93.1 | Very high | 92.9 | Very high | 131 Ų | 131 | 73.4 Ų | 73.4 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 12.1 | -177.3 | -51.9 | -174.6 | 160.8 | 0 | 0 | 115.8 | I172 | E164-I172 WeakPolarHBondContact CA-O 3.43Å; E164-I172 PolarHBondContact N-O 2.76Å |
| 165 | S | 92.4 | Very high | 93 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | trans | -64.3 | 151.3 | 174.3 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | H121 L162 D163 Q171 I172 | H121-S165 PolarHBondContact NE2-OG 3.29Å; L162-S165 VanDerWaalsContact O-CB 3.29Å; L162-S165 WeakPolarHBondContact O-CB 3.47Å; L162-S165 PolarHBondContact O-N 3.29Å; L162-S165 PolarHBondContact O-OG 3.34Å; D163-S165 PolarHBondContact O-N 3.46Å; D163-S165 VanDerWaalsContact O-N 3.12Å; S165-Q171 WeakPolarHBondContact O-CA 3.48Å; S165-I172 WeakPolarHBondContact O-CG1 3.37Å; S165-I172 PolarHBondContact O-N 2.76Å; S165-I172 WeakPolarHBondContact OG-CG1 2.89Å | ||
| 166 | L | 92.8 | Very high | 93 | Very high | 125 Ų | 125 | 70.6 Ų | 70.6 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.2 | 179.8 | -71.5 | 169.2 | 0 | 0 | 0 | 110.6 | Q171 | L166-Q171 HydrophobicContact CD2-CG 3.75Å |
| 167 | F | 91.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119 | 174.4 | -179.9 | -96.1 | 0 | 0 | 0 | 109.4 | V109 A113 E117 L118 H121 G169 R170 I172 | V109-F167 HydrophobicContact CG1-CE1 4.23Å; A113-F167 HydrophobicContact CB-CE1 3.62Å; A113-F167 HydrophobicContact CB-CZ 3.97Å; E117-F167 HydrophobicContact CB-CE2 3.99Å; E117-F167 HydrophobicContact CB-CZ 3.85Å; L118-F167 HydrophobicContact CD2-CE1 4.37Å; L118-F167 HydrophobicContact CD2-CE2 4.23Å; L118-F167 HydrophobicContact CD2-CZ 4.05Å; L118-F167 HydrophobicContact CG-CZ 4.41Å; H121-F167 HydrophobicContact CB-CD2 4.42Å; F167-G169 PolarHBondContact O-N 3.01Å; F167-G169 VanDerWaalsContact O-N 3.08Å; F167-R170 PolarHBondContact N-O 3.31Å; F167-R170 PolarHBondContact O-N 2.87Å; F167-R170 VanDerWaalsContact O-O 3.04Å; F167-I172 HydrophobicContact CB-CD1 4.5Å; F167-I172 HydrophobicContact CB-CG1 4.42Å; F167-I172 HydrophobicContact CB-CG2 3.65Å; F167-I172 HydrophobicContact CD1-CG2 4.34Å; F167-I172 HydrophobicContact CG-CG2 4.26Å |
| 168 | R | 88.4 | Confident | 92.6 | Very high | 126 Ų | 126 | 74.3 Ų | 74.3 | 48% | 0.475 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 35.1 | -176.7 | -61 | -178.2 | 68.1 | 143.5 | -6.4 | 114 | D110 G112 E117 R170 | D110-R168 HydrophobicContact CB-CB 4.32Å; D110-R168 IonicContact OD1-NE 3.7Å; G112-R168 PolarHBondContact O-NH1 3.41Å; E117-R168 VanDerWaalsContact CD-NH1 3.3Å; E117-R168 IonicContact OE1-CZ 3.95Å; E117-R168 IonicContact OE1-NH1 3Å; E117-R168 PolarHBondContact OE1-NH1 3.43Å; E117-R168 WeakPolarHBondContact OE2-CD 3.35Å; E117-R168 IonicContact OE2-CZ 3.77Å; E117-R168 IonicContact OE2-NE 4Å; E117-R168 IonicContact OE2-NH1 2.78Å; E117-R168 PolarHBondContact OE2-NH1 3.39Å; R168-R170 VanDerWaalsContact C-N 3.35Å |
| 169 | G | 90.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 8.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F167 | F167-G169 PolarHBondContact O-N 3.01Å; F167-G169 VanDerWaalsContact O-N 3.08Å |
| 170 | R | 92.1 | Very high | 91.3 | Very high | 78 Ų | 78 | 80.5 Ų | 80.5 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.6 | 175.4 | -60.3 | 178.9 | 70.1 | 167.4 | -0.9 | 110 | N108 D110 F167 R168 I172 | N108-R170 PolarHBondContact OD1-NH2 3.27Å; D110-R170 IonicContact OD2-NH1 3.55Å; F167-R170 PolarHBondContact N-O 3.31Å; F167-R170 PolarHBondContact O-N 2.87Å; F167-R170 VanDerWaalsContact O-O 3.04Å; R168-R170 VanDerWaalsContact C-N 3.35Å; R170-I172 PolarHBondContact O-N 2.95Å |
| 171 | Q | 95.1 | Very high | 90.2 | Very high | 117 Ų | 117 | 83.6 Ų | 83.6 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.7 | 173.7 | -70.3 | 178.7 | -39.7 | 0 | 0 | 109.8 | N108 S165 L166 | N108-Q171 PolarHBondContact ND2-O 2.94Å; S165-Q171 WeakPolarHBondContact O-CA 3.48Å; L166-Q171 HydrophobicContact CD2-CG 3.75Å |
| 172 | I | 95.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 84.6 Ų | 84.6 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | trans | -85 | 151.9 | 176.2 | 54.5 | 165.4 | 0 | 0 | 0 | 110.7 | V106 G107 V109 F122 E164 S165 F167 R170 V174 | V106-I172 HydrophobicContact CG1-CB 4.15Å; V106-I172 HydrophobicContact CG1-CD1 4.03Å; V106-I172 HydrophobicContact CG1-CG2 4.44Å; G107-I172 WeakPolarHBondContact O-CA 3.14Å; V109-I172 HydrophobicContact CG2-CG2 4.47Å; F122-I172 HydrophobicContact CE2-CD1 4.16Å; F122-I172 HydrophobicContact CZ-CD1 3.74Å; E164-I172 WeakPolarHBondContact CA-O 3.43Å; E164-I172 PolarHBondContact N-O 2.76Å; S165-I172 WeakPolarHBondContact O-CG1 3.37Å; S165-I172 PolarHBondContact O-N 2.76Å; S165-I172 WeakPolarHBondContact OG-CG1 2.89Å; F167-I172 HydrophobicContact CB-CD1 4.5Å; F167-I172 HydrophobicContact CB-CG1 4.42Å; F167-I172 HydrophobicContact CB-CG2 3.65Å; F167-I172 HydrophobicContact CD1-CG2 4.34Å; F167-I172 HydrophobicContact CG-CG2 4.26Å; R170-I172 PolarHBondContact O-N 2.95Å; I172-V174 HydrophobicContact CD1-CG2 4.1Å; I172-V174 HydrophobicContact CG1-CG2 4.49Å | ||
| 173 | K | 95.5 | Very high | 87.5 | Confident | 134 Ų | 134 | 85.8 Ų | 85.8 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.6 | 173.8 | -178.1 | 170.9 | -176.2 | 164.6 | 0 | 109.6 | V106 G107 D163 | V106-K173 CarbonylContact C-O 3.5Å; V106-K173 WeakPolarHBondContact CA-O 3.15Å; G107-K173 PolarHBondContact N-O 2.8Å; G107-K173 PolarHBondContact O-N 2.85Å; D163-K173 WeakPolarHBondContact OD1-CA 3.44Å |
| 174 | V | 95.4 | Very high | 85.9 | Confident | 9 Ų | 9 | 88.7 Ų | 88.7 | 6% | 0.055 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.7 | -180 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | I104 Y105 F122 A159 D163 I172 | I104-V174 HydrophobicContact CB-CG1 4.37Å; I104-V174 HydrophobicContact CD1-CG1 4.05Å; Y105-V174 CarbonylContact O-C 3.6Å; Y105-V174 WeakPolarHBondContact O-CA 2.85Å; F122-V174 HydrophobicContact CE1-CG1 4.45Å; F122-V174 HydrophobicContact CE1-CG2 4.05Å; F122-V174 HydrophobicContact CZ-CG2 3.81Å; A159-V174 WeakPolarHBondContact O-CG1 3.44Å; D163-V174 HydrophobicContact CB-CB 4.39Å; D163-V174 PolarHBondContact OD1-N 3.4Å; I172-V174 HydrophobicContact CD1-CG2 4.1Å; I172-V174 HydrophobicContact CG1-CG2 4.49Å |
| 175 | G | 94.3 | Very high | 84.3 | Confident | 19 Ų | 19 | 85 Ų | 85 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 166.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I104 Y105 | I104-G175 CarbonylContact C-O 3.55Å; I104-G175 WeakPolarHBondContact CA-O 3.42Å; Y105-G175 PolarHBondContact N-O 3.48Å; Y105-G175 PolarHBondContact O-N 3.45Å |
| 176 | V | 93.4 | Very high | 82.6 | Confident | 72 Ų | 72 | 88.3 Ų | 88.3 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.4 | 176.8 | -172 | 0 | 0 | 0 | 0 | 110 | V156 M160 R178 | V156-V176 HydrophobicContact CG1-CG1 4.4Å; V156-V176 HydrophobicContact CG1-CG2 4.14Å; M160-V176 HydrophobicContact CE-CG2 4.34Å; M160-V176 HydrophobicContact CG-CG2 4.43Å; M160-V176 HydrophobicContact SD-CG2 3.41Å; M160-V176 WeakPolarHBondContact SD-CG2 3.41Å; V176-R178 PolarHBondContact O-N 3.3Å |
| 177 | K | 92.4 | Very high | 81.1 | Confident | 51 Ų | 51 | 88.2 Ų | 88.2 | 22% | 0.222 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 133.1 | 174 | -173.8 | -179.4 | -179 | -168 | 0 | 109.4 | D100 S103 Y147 | D100-K177 HydrophobicContact CB-CD 4.32Å; D100-K177 WeakPolarHBondContact OD1-CD 3.48Å; D100-K177 WeakPolarHBondContact OD1-CE 3.33Å; D100-K177 IonicContact OD1-NZ 2.61Å; D100-K177 PolarHBondContact OD1-NZ 2.76Å; S103-K177 VanDerWaalsContact O-CB 3.27Å; S103-K177 WeakPolarHBondContact O-CB 3.49Å; S103-K177 PolarHBondContact O-N 3.29Å; Y147-K177 HydrophobicContact CD1-CB 4.46Å; Y147-K177 HydrophobicContact CD1-CD 3.87Å; Y147-K177 HydrophobicContact CD1-CG 3.82Å; Y147-K177 HydrophobicContact CE1-CD 4.37Å; Y147-K177 HydrophobicContact CE1-CG 3.94Å; Y147-K177 HydrophobicContact CG-CD 4.43Å |
| 178 | R | 86.2 | Confident | 79.5 | Confident | 223 Ų | 223 | 93.9 Ų | 93.9 | 84% | 0.842 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -85 | 123.6 | 174.4 | -66.5 | -176.9 | -179.9 | -174.5 | 0.1 | 109.2 | V176 N180 | V176-R178 PolarHBondContact O-N 3.3Å; R178-N180 PolarHBondContact O-N 2.97Å |
| 179 | T | 83 | Confident | 78 | Confident | 51 Ų | 51 | 96.8 Ų | 96.8 | 31% | 0.313 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 128.1 | 168.7 | -52.2 | 0 | 0 | 0 | 0 | 110.1 | M97 D100 R181 | M97-T179 HydrophobicContact CB-CG2 4.4Å; M97-T179 HydrophobicContact CG-CG2 3.65Å; D100-T179 WeakPolarHBondContact OD2-CA 3.32Å; T179-R181 PolarHBondContact O-N 3.07Å |
| 180 | N | 76.2 | Confident | 76.2 | Confident | 146 Ų | 146 | 96.5 Ų | 96.5 | 78% | 0.781 | 52% | 0.517 | S | S | * | . | trans | -82.8 | 96.6 | 173.9 | -162.8 | -3.8 | 0 | 0 | 0 | 108.9 | R178 P182 | R178-N180 PolarHBondContact O-N 2.97Å; N180-P182 VanDerWaalsContact O-CD 3.31Å; N180-P182 WeakPolarHBondContact O-CD 3.36Å | ||
| 181 | R | 69.9 | Low | 74 | Confident | 154 Ų | 154 | 101.5 Ų | 101.5 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | trans | -78.6 | 114 | 172.4 | -72.3 | -169 | -176.9 | 128.8 | 0.8 | 109 | T179 G183 I184 | T179-R181 PolarHBondContact O-N 3.07Å; R181-G183 PolarHBondContact O-N 2.85Å; R181-I184 PolarHBondContact O-N 3.12Å | ||
| 182 | P | 62.7 | Low | 71.8 | Confident | 107 Ų | 107 | 101.5 Ų | 101.5 | 70% | 0.695 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 128.4 | 174.9 | 24.9 | -31.8 | 0 | 0 | 0 | 109.2 | N180 | N180-P182 VanDerWaalsContact O-CD 3.31Å; N180-P182 WeakPolarHBondContact O-CD 3.36Å |
| 183 | G | 63.8 | Low | 69.9 | Low | 84 Ų | 84 | 112.7 Ų | 112.7 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.1 | -8.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | R181 | R181-G183 PolarHBondContact O-N 2.85Š|
| 184 | I | 60.7 | Low | 67.7 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 65% | 0.646 | 60% | 0.597 | S | S | * | * | trans | -120.6 | 68.8 | 174.7 | -53.6 | 170.9 | 0 | 0 | 0 | 109 | R181 T186 | R181-I184 PolarHBondContact O-N 3.12Å; I184-T186 PolarHBondContact O-N 2.78Å | ||
| 185 | S | 59.3 | Low | 65.5 | Low | 53 Ų | 53 | 121.5 Ų | 121.5 | 37% | 0.371 | 64% | 0.639 | S | S | . | * | trans | -67.4 | 125.3 | 166.3 | 165.7 | 0 | 0 | 0 | 0 | 108.6 | T187 D188 | S185-T187 PolarHBondContact O-N 2.95Å; S185-T187 VanDerWaalsContact OG-CB 3.25Å; S185-T187 WeakPolarHBondContact OG-CB 3.25Å; S185-T187 PolarHBondContact OG-N 3.42Å; S185-T187 VanDerWaalsContact OG-N 3.14Å; S185-T187 PolarHBondContact OG-OG1 3.14Å; S185-D188 VanDerWaalsContact CB-OD2 3.3Å; S185-D188 WeakPolarHBondContact CB-OD2 3.3Å; S185-D188 PolarHBondContact O-N 3.06Å; S185-D188 PolarHBondContact OG-OD2 3.2Å | ||
| 186 | T | 57.1 | Low | 63.1 | Low | 94 Ų | 94 | 129.1 Ų | 129.1 | 58% | 0.577 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -61.9 | -11.2 | 170.6 | 43.3 | 0 | 0 | 0 | 0 | 113.4 | I184 | I184-T186 PolarHBondContact O-N 2.78Š|
| 187 | T | 60.9 | Low | 60.9 | Low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -81.8 | -18.1 | 174.4 | -42.4 | 0 | 0 | 0 | 0 | 111.8 | S185 | S185-T187 PolarHBondContact O-N 2.95Å; S185-T187 VanDerWaalsContact OG-CB 3.25Å; S185-T187 WeakPolarHBondContact OG-CB 3.25Å; S185-T187 PolarHBondContact OG-N 3.42Å; S185-T187 VanDerWaalsContact OG-N 3.14Å; S185-T187 PolarHBondContact OG-OG1 3.14Å |
| 188 | D | 56.7 | Low | 58.7 | Low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -107.4 | 34.9 | 176.9 | -63.7 | -71 | 0 | 0 | 0 | 111.8 | S185 G190 | S185-D188 VanDerWaalsContact CB-OD2 3.3Å; S185-D188 WeakPolarHBondContact CB-OD2 3.3Å; S185-D188 PolarHBondContact O-N 3.06Å; S185-D188 PolarHBondContact OG-OD2 3.2Å; D188-G190 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 2.73Å |
| 189 | R | 57.6 | Low | 56.7 | Low | 187 Ų | 187 | 140.1 Ų | 140.1 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -66.9 | 99 | 162.6 | -68.8 | -172 | -150 | 160.4 | 6.4 | 107.5 | F191 | R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.91Å | ||
| 190 | G | 53.2 | Low | 54.8 | Low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -49.9 | 87.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | D188 | D188-G190 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 2.73Å | ||
| 191 | F | 45.4 | Very low | 53.1 | Low | 182 Ų | 182 | 137.2 Ų | 137.2 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | trans | -104.5 | 103.6 | 134.8 | -73.2 | -83.3 | 0 | 0 | 0 | 104.8 | R189 R193 | R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.91Å; F191-R193 PolarHBondContact O-N 2.79Å | ||
| 192 | P | 49.7 | Very low | 52.1 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -57.6 | 104.5 | 156.8 | 25.4 | -28.3 | 0 | 0 | 0 | 104 | A194 | P192-A194 PolarHBondContact O-N 2.72Š| ||
| 193 | R | 53.6 | Low | 51 | Low | 238 Ų | 238 | 141.5 Ų | 141.5 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -50.9 | 105.4 | 162.1 | -91.1 | -172.4 | 176.4 | 145 | -0.2 | 103.7 | F191 R195 | F191-R193 PolarHBondContact O-N 2.79Å; R193-R195 PolarHBondContact O-N 2.79Å | ||
| 194 | A | 50.4 | Low | 50.1 | Low | 80 Ų | 80 | 144.7 Ų | 144.7 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | trans | -45.9 | 107.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | P192 F196 | P192-A194 PolarHBondContact O-N 2.72Å; A194-F196 HydrophobicContact CB-CB 4.11Å; A194-F196 PolarHBondContact O-N 2.92Å | ||
| 195 | R | 48.3 | Very low | 49.1 | Very low | 248 Ų | 248 | 142.7 Ų | 142.7 | 94% | 0.936 | 74% | 0.743 | S | S | * | * | trans | -70.3 | 36.9 | 154.2 | -76.8 | -169.3 | -172.6 | 175.8 | 4 | 109.2 | R193 R197 | R193-R195 PolarHBondContact O-N 2.79Å; R195-R197 PolarHBondContact O-N 2.92Å | ||
| 196 | F | 44.8 | Very low | 48.6 | Very low | 178 Ų | 178 | 145 Ų | 145 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -73.2 | 64.2 | 148.8 | -120.4 | -92.7 | 0 | 0 | 0 | 107.1 | A194 S198 | A194-F196 HydrophobicContact CB-CB 4.11Å; A194-F196 PolarHBondContact O-N 2.92Å; F196-S198 PolarHBondContact O-N 3.03Å | ||
| 197 | R | 47.5 | Very low | 47.8 | Very low | 235 Ų | 235 | 152.1 Ų | 152.1 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 96 | 147.3 | -140.2 | -170.4 | -147.2 | -154.5 | 7.6 | 102.9 | R195 R199 | R195-R197 PolarHBondContact O-N 2.92Å; R197-R199 VanDerWaalsContact C-N 3.33Å; R197-R199 PolarHBondContact O-N 2.78Å | ||
| 198 | S | 45.9 | Very low | 46.8 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -37.7 | 98.4 | 169.3 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | F196 G200 | F196-S198 PolarHBondContact O-N 3.03Å; S198-G200 PolarHBondContact O-N 2.76Å; S198-G200 VanDerWaalsContact O-N 3.11Å | ||
| 199 | R | 44.6 | Very low | 46 | Very low | 245 Ų | 245 | 155.7 Ų | 155.7 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 84.9 | 150.2 | -172.3 | 169 | -178.1 | 159.8 | -1.5 | 103 | R197 G201 | R197-R199 VanDerWaalsContact C-N 3.33Å; R197-R199 PolarHBondContact O-N 2.78Å; R199-G201 PolarHBondContact O-N 3.11Å | ||
| 200 | G | 42.3 | Very low | 45 | Very low | 68 Ų | 68 | 157.4 Ų | 157.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -55 | 92.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S198 | S198-G200 PolarHBondContact O-N 2.76Å; S198-G200 VanDerWaalsContact O-N 3.11Å | ||
| 201 | G | 41.3 | Very low | 44.2 | Very low | 67 Ų | 67 | 164.5 Ų | 164.5 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 119.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | R199 F203 | R199-G201 PolarHBondContact O-N 3.11Å; G201-F203 PolarHBondContact O-N 3.43Å; G201-F203 VanDerWaalsContact O-N 3.07Å | ||
| 202 | N | 48.5 | Very low | 43.9 | Very low | 156 Ų | 156 | 161.5 Ų | 161.5 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -43.1 | 112.3 | 160.1 | -83.2 | 17.3 | 0 | 0 | 0 | 110 | ||||
| 203 | F | 39.3 | Very low | 43.1 | Very low | 195 Ų | 195 | 159 Ų | 159 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -122.5 | 82.9 | 149.8 | -125 | -95 | 0 | 0 | 0 | 107.9 | G201 S205 | G201-F203 PolarHBondContact O-N 3.43Å; G201-F203 VanDerWaalsContact O-N 3.07Å; F203-S205 PolarHBondContact O-N 3.07Å | ||
| 204 | N | 44.7 | Very low | 42.5 | Very low | 151 Ų | 151 | 158.9 Ų | 158.9 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -65.2 | 102.4 | 155.9 | -173.3 | 18.6 | 0 | 0 | 0 | 107 | ||||
| 205 | S | 41.2 | Very low | 42.1 | Very low | 85 Ų | 85 | 159.7 Ų | 159.7 | 59% | 0.594 | 81% | 0.805 | S | S | * | * | trans | -158.9 | 91.7 | 154.5 | -161.8 | 0 | 0 | 0 | 0 | 110.5 | F203 | F203-S205 PolarHBondContact O-N 3.07Š| ||
| 206 | S | 47.3 | Very low | 42.1 | Very low | 100 Ų | 100 | 153 Ų | 153 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 47.5 | 84.4 | 124.9 | -53.7 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 207 | R | 41.7 | Very low | 42.3 | Very low | 244 Ų | 244 | 150.7 Ų | 150.7 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -152.3 | 107.1 | 137.7 | -139.4 | 116.6 | -172.1 | 175.3 | 2.7 | 112.7 | ||||
| 208 | A | 39.3 | Very low | 42.2 | Very low | 93 Ų | 93 | 151.4 Ų | 151.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 94.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 209 | R | 39.6 | Very low | 41.9 | Very low | 236 Ų | 236 | 150.1 Ų | 150.1 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -56.8 | 133.2 | 134.4 | -62.7 | -177.8 | -172.4 | 174.9 | 2.8 | 108.2 | ||||
| 210 | Y | 36 | Very low | 41.9 | Very low | 222 Ų | 222 | 151 Ų | 151 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | -177.5 | 137.1 | 129.1 | -97.8 | -73.7 | 0 | 0 | 0 | 109.4 | |||||
| 211 | Y | 37 | Very low | 41.6 | Very low | 217 Ų | 217 | 151.2 Ų | 151.2 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 86.8 | 96.7 | 171 | -96.9 | -97.6 | 0 | 0 | 0 | 121 | ||||
| 212 | S | 39.1 | Very low | 41.9 | Very low | 119 Ų | 119 | 160 Ų | 160 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | 53 | 125.3 | 123.8 | -154.5 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 213 | G | 32.8 | Very low | 41.5 | Very low | 63 Ų | 63 | 157.3 Ų | 157.3 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | cis | 178 | 163.8 | 13 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 214 | Y | 41.8 | Very low | 41.4 | Very low | 236 Ų | 236 | 157.8 Ų | 157.8 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | 48.3 | 97 | 159.4 | -90.2 | -96.7 | 0 | 0 | 0 | 120.6 | ||||
| 215 | A | 41.9 | Very low | 41.6 | Very low | 97 Ų | 97 | 162.5 Ų | 162.5 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -145.7 | 111.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 216 | P | 47.9 | Very low | 41.3 | Very low | 108 Ų | 108 | 161.8 Ų | 161.8 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | trans | -77 | 148.2 | 179.9 | 29.5 | -32.6 | 0 | 0 | 0 | 112.2 | R218 | P216-R218 PolarHBondContact O-N 3.48Š| ||
| 217 | P | 49.2 | Very low | 40.9 | Very low | 129 Ų | 129 | 169.5 Ų | 169.5 | 84% | 0.838 | 85% | 0.847 | S | S | * | * | trans | -77.9 | 112.8 | -177.5 | 30.3 | -32 | 0 | 0 | 0 | 110.5 | G219 | P217-G219 PolarHBondContact O-N 3.17Š| ||
| 218 | R | 45.5 | Very low | 40.7 | Very low | 250 Ų | 250 | 161.3 Ų | 161.3 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | trans | -82.3 | 107.1 | 168.6 | -76.7 | -167.5 | 176.4 | 150.6 | 1 | 109.9 | P216 | P216-R218 PolarHBondContact O-N 3.48Š| ||
| 219 | G | 38.4 | Very low | 40.9 | Very low | 72 Ų | 72 | 167.7 Ų | 167.7 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | -68.1 | 174.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | P217 | P217-G219 PolarHBondContact O-N 3.17Š| ||
| 220 | R | 45.6 | Very low | 41.2 | Very low | 263 Ų | 263 | 163.1 Ų | 163.1 | 99% | 0.992 | 84% | 0.842 | S | S | * | * | trans | -40.7 | 133.3 | 171 | -65.9 | -176.9 | 177.9 | -153 | 0.7 | 112.7 | ||||
| 221 | G | 35.3 | Very low | 41.7 | Very low | 73 Ų | 73 | 157 Ų | 157 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -155.9 | 104.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 222 | R | 47.2 | Very low | 42.2 | Very low | 252 Ų | 252 | 152 Ų | 152 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | trans | -58.7 | 133.2 | 162.3 | -75.8 | 178.7 | 171.4 | -146.2 | -0.7 | 108.6 | ||||
| 223 | A | 41.3 | Very low | 42.5 | Very low | 99 Ų | 99 | 157.8 Ų | 157.8 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -142.7 | 96.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | R225 | A223-R225 PolarHBondContact O-N 3.32Š| ||
| 224 | F | 37.4 | Very low | 43.1 | Very low | 205 Ų | 205 | 164.8 Ų | 164.8 | 90% | 0.899 | 84% | 0.837 | S | S | * | * | trans | -56.6 | 122.7 | 157.6 | -115.8 | -111.1 | 0 | 0 | 0 | 108.8 | ||||
| 225 | R | 48.4 | Very low | 43.4 | Very low | 250 Ų | 250 | 158.4 Ų | 158.4 | 94% | 0.943 | 83% | 0.827 | S | S | * | * | trans | -127.9 | 104.8 | 154.1 | -98.2 | -161.5 | -172.9 | -167.5 | 4.3 | 107.4 | A223 | A223-R225 PolarHBondContact O-N 3.32Š| ||
| 226 | G | 34.6 | Very low | 44.4 | Very low | 69 Ų | 69 | 158.3 Ų | 158.3 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -84.5 | 163.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 227 | R | 38.5 | Very low | 44.7 | Very low | 262 Ų | 262 | 167.5 Ų | 167.5 | 99% | 0.989 | 84% | 0.84 | S | S | * | * | trans | -174 | 125 | 130.9 | -138.5 | -178.3 | -175.8 | -108.7 | 4.7 | 109.3 | ||||
| 228 | G | 38.2 | Very low | 44.4 | Very low | 73 Ų | 73 | 169.5 Ų | 169.5 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | trans | 174.1 | 64.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T230 | G228-T230 PolarHBondContact O-N 3.3Š| ||
| 229 | R | 42.4 | Very low | 44.4 | Very low | 227 Ų | 227 | 165.2 Ų | 165.2 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -60.1 | 124 | 168.2 | -96.4 | -167.4 | -179.5 | -102.6 | 6.5 | 109.1 | ||||
| 230 | T | 46.9 | Very low | 44.7 | Very low | 139 Ų | 139 | 170.4 Ų | 170.4 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | trans | -128.2 | 124.2 | 142.7 | 58.3 | 0 | 0 | 0 | 0 | 106.7 | G228 | G228-T230 PolarHBondContact O-N 3.3Š| ||
| 231 | T | 46.8 | Very low | 44.6 | Very low | 94 Ų | 94 | 164.9 Ų | 164.9 | 58% | 0.577 | 83% | 0.831 | S | S | * | * | trans | -83.7 | 115.1 | -170.5 | -52.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 232 | S | 47.1 | Very low | 45.2 | Very low | 113 Ų | 113 | 170.7 Ų | 170.7 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -72.7 | 117.5 | 168.2 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 233 | W | 45.2 | Very low | 45.1 | Very low | 240 Ų | 240 | 165.3 Ų | 165.3 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -81.5 | 115.7 | 170.6 | -78.9 | 89.6 | 0 | 0 | 0 | 109.9 | ||||
| 234 | Y | 46.3 | Very low | 45.4 | Very low | 210 Ų | 210 | 170 Ų | 170 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -162 | 120.3 | 153.1 | -163.9 | -108 | 0 | 0 | 0 | 109.3 | ||||
| 235 | S | 46.5 | Very low | 46 | Very low | 102 Ų | 102 | 167.3 Ų | 167.3 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -132.5 | 129.6 | 173.2 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 236 | P | 63.5 | Low | 45.8 | Very low | 94 Ų | 94 | 160.4 Ų | 160.4 | 61% | 0.61 | 81% | 0.814 | S | S | * | * | trans | -86.3 | 140.5 | -177.9 | 34 | -31.8 | 0 | 0 | 0 | 111.5 | ||||
| 237 | Y | 53.4 | Low | 46.8 | Very low | 302 Ų | 302 | 168.7 Ų | 168.7 | 100% | 1.184 | 82% | 0.823 | S | S | * | * | trans | -142.7 | 0 | 143.6 | -86.5 | -74.4 | 0 | 0 | 0 | 107.4 |
Retrieved 237 of 237 residues in 458.4 ms
(Link to these results)