| 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 | Q | 39.2 | Very low | 42.6 | Very low | 239 Ų | 239 | 184.6 Ų | 184.6 | 100% | 1.117 | 87% | 0.865 | S | S | * | * | 0 | 122.8 | 0 | -151.3 | 169.1 | -7.5 | 0 | 0 | 108 | |||||
| 2 | K | 42.4 | Very low | 41.8 | Very low | 197 Ų | 197 | 182.2 Ų | 182.2 | 86% | 0.857 | 86% | 0.862 | S | S | * | * | trans | 65.7 | 96.7 | 168.4 | -68 | -178.2 | 177.3 | -179.9 | 0 | 120.2 | ||||
| 3 | R | 38.5 | Very low | 41.5 | Very low | 232 Ų | 232 | 182.5 Ų | 182.5 | 88% | 0.875 | 86% | 0.862 | S | S | * | * | trans | -50.5 | 144.8 | 147.2 | -68.6 | 172.4 | 168.7 | 170.4 | -4.4 | 111.1 | ||||
| 4 | K | 53.8 | Low | 40.6 | Very low | 212 Ų | 212 | 174.9 Ų | 174.9 | 92% | 0.922 | 86% | 0.857 | S | S | * | * | trans | -123.6 | 104.7 | 152.9 | -91.1 | -176.2 | 174.5 | -177.8 | 0 | 108.6 | ||||
| 5 | Q | 43.1 | Very low | 39.8 | Very low | 165 Ų | 165 | 168.6 Ų | 168.6 | 77% | 0.771 | 86% | 0.855 | S | S | * | * | trans | -75.5 | 139.6 | 158 | -80.4 | 170.2 | -23.7 | 0 | 0 | 107.8 | ||||
| 6 | S | 51.3 | Low | 39.2 | Very low | 116 Ų | 116 | 165.6 Ų | 165.6 | 81% | 0.811 | 85% | 0.854 | S | S | * | * | trans | -126.5 | 98.3 | 157.9 | 55.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 7 | Q | 40.3 | Very low | 38.6 | Very low | 178 Ų | 178 | 160.4 Ų | 160.4 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | trans | -68.3 | 134.7 | 156.7 | -74.9 | 171.9 | -15.9 | 0 | 0 | 108 | ||||
| 8 | L | 41.9 | Very low | 38.2 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 93% | 0.932 | 85% | 0.85 | S | S | * | * | trans | -132.9 | 136.2 | 154.9 | -96 | 159.5 | 0 | 0 | 0 | 108.5 | ||||
| 9 | K | 41.8 | Very low | 37.8 | Very low | 169 Ų | 169 | 160.3 Ų | 160.3 | 74% | 0.735 | 85% | 0.845 | S | S | * | * | trans | -102.9 | 140.5 | -151.2 | 177.9 | 178.9 | 171.5 | -159.3 | 0 | 108.2 | E11 | K9-E11 IonicContact NZ-OE1 3.99Š| ||
| 10 | M | 36 | Very low | 37.6 | Very low | 185 Ų | 185 | 161.3 Ų | 161.3 | 91% | 0.911 | 85% | 0.845 | S | S | * | * | trans | -67.1 | 133.3 | 166.3 | -72 | -148 | -79.6 | 0 | 0 | 109.6 | ||||
| 11 | E | 40 | Very low | 37.4 | Very low | 160 Ų | 160 | 160.3 Ų | 160.3 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | trans | -126.1 | 123.9 | 161.5 | -90 | 176.9 | -178.4 | 0 | 0 | 109.9 | K9 | K9-E11 IonicContact NZ-OE1 3.99Š| ||
| 12 | D | 33.3 | Very low | 37 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | -82.7 | 135.1 | 174.1 | 179.2 | 27.8 | 0 | 0 | 0 | 108.5 | ||||
| 13 | Q | 37.8 | Very low | 36.5 | Very low | 186 Ų | 186 | 157.3 Ų | 157.3 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -137 | 100.9 | 165.9 | -82.1 | -170.4 | 26.2 | 0 | 0 | 109.4 | ||||
| 14 | G | 28.9 | Very low | 36.2 | Very low | 76 Ų | 76 | 154.1 Ų | 154.1 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -73.5 | 145.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | G | 28.4 | Very low | 35.1 | Very low | 81 Ų | 81 | 151.7 Ų | 151.7 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -147.8 | 101.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | S | 30.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -68.9 | 146.7 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 17 | G | 28.8 | Very low | 33.4 | Very low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -163.6 | 100.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | Q | 32.8 | Very low | 32.8 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -94.1 | 152.1 | 165.9 | -69.2 | 176.4 | -76.5 | 0 | 0 | 110.1 | ||||
| 19 | N | 29.9 | Very low | 32.3 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 156.2 | 111 | 142.4 | -76.7 | -7 | 0 | 0 | 0 | 107.5 | ||||
| 20 | E | 33.4 | Very low | 31.8 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | 60.2 | 139.6 | 86.8 | -72.4 | -172.5 | -176.6 | 0 | 0 | 113 | |||||
| 21 | D | 33.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | cis | -169.8 | 165.5 | -24.8 | -145.7 | -21 | 0 | 0 | 0 | 106.1 | ||||
| 22 | E | 31.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 64.8 | 123 | 156.7 | -61.8 | -169.4 | 155.1 | 0 | 0 | 123.4 | ||||
| 23 | K | 31.8 | Very low | 31.3 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -148.8 | 128.2 | 132.6 | -153.3 | 170.1 | -176.8 | 178.8 | 0 | 112.9 | ||||
| 24 | Q | 31.1 | Very low | 31 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -52.3 | 156.6 | 177.1 | -58.6 | 158.9 | -56.3 | 0 | 0 | 115.4 | ||||
| 25 | K | 31.1 | Very low | 31 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 70% | 0.7 | 79% | 0.788 | S | S | * | * | 168.5 | 133.8 | 97.2 | -116.2 | -179.4 | 173.2 | -129 | 0 | 115.4 | |||||
| 26 | E | 30.4 | Very low | 31.1 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | 64 | 115.1 | 133.6 | -94.6 | 171.8 | 158.5 | 0 | 0 | 121.1 | ||||
| 27 | S | 29.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | 93.6 | 148.3 | 98 | 75 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 28 | D | 26 | Very low | 31.3 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | cis | -164.3 | 154.3 | 19.2 | -174.8 | 23.4 | 0 | 0 | 0 | 108.1 | ||||
| 29 | S | 33 | Very low | 31.5 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | trans | 24.2 | 136.4 | 151.2 | -58.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 30 | T | 30.6 | Very low | 31.8 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | 172.3 | 136.7 | 101.1 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 31 | E | 32.7 | Very low | 32.1 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -64.9 | 157.3 | 178.3 | -59.4 | 172.7 | 130 | 0 | 0 | 114.8 | ||||
| 32 | K | 31.8 | Very low | 32.3 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | 153.2 | 100.4 | 115.4 | -166.1 | 172.2 | -174.7 | -179.4 | 0 | 115.1 | |||||
| 33 | R | 35.3 | Very low | 32.8 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | 36.6 | 146.9 | 128.6 | -126.3 | 179.8 | -174.4 | 172.9 | 1.8 | 124.2 | |||||
| 34 | T | 30.9 | Very low | 33.3 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | 81.2 | 141.1 | 155.6 | 63.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 35 | D | 29.7 | Very low | 33.9 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | cis | -169 | 163.8 | -6.9 | -107.2 | -35.7 | 0 | 0 | 0 | 108.6 | ||||
| 36 | A | 29.2 | Very low | 34.1 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | 75 | 104.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 37 | A | 30.7 | Very low | 34.6 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | 52.6 | 114.1 | 122.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 38 | A | 32 | Very low | 35.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -152.8 | 112.1 | 133.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | T | 38.7 | Very low | 35.9 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | trans | -66.8 | 119.4 | 164.5 | 18 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 40 | E | 35.9 | Very low | 36.3 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -127.9 | 114.8 | 150.9 | -69.8 | -152.1 | 169.5 | 0 | 0 | 108.9 | E42 | E40-E42 PolarHBondContact O-N 3.25Š| ||
| 41 | D | 39.2 | Very low | 36.9 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | -69.3 | 102.2 | 173.7 | -105.1 | -38.7 | 0 | 0 | 0 | 109 | ||||
| 42 | E | 37.6 | Very low | 37.5 | Very low | 147 Ų | 147 | 128 Ų | 128 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | -97.7 | 111.9 | 169.3 | -117.3 | -73.7 | 167.4 | 0 | 0 | 108.6 | E40 G44 | E40-E42 PolarHBondContact O-N 3.25Å; E42-G44 PolarHBondContact O-N 3.14Å; E42-G44 PolarHBondContact OE2-N 3.28Å | ||
| 43 | P | 42 | Very low | 38 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -4.9 | -176.4 | 30.7 | -32.8 | 0 | 0 | 0 | 112.8 | ||
| 44 | G | 42.1 | Very low | 38.9 | Very low | 43 Ų | 43 | 118.1 Ų | 118.1 | 44% | 0.443 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -76.2 | -22.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E42 | E42-G44 PolarHBondContact O-N 3.14Å; E42-G44 PolarHBondContact OE2-N 3.28Å |
| 45 | R | 42.9 | Very low | 40.3 | Very low | 206 Ų | 206 | 120.8 Ų | 120.8 | 78% | 0.777 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -79.8 | -32.7 | -176.9 | -107.6 | -178.5 | 179.4 | -169.9 | -0.1 | 114 | A47 A48 E49 | R45-A47 PolarHBondContact O-N 2.71Å; R45-A48 PolarHBondContact O-N 3.45Å; R45-E49 PolarHBondContact O-N 3.35Å |
| 46 | K | 36.1 | Very low | 42.9 | Very low | 157 Ų | 157 | 116.1 Ų | 116.1 | 68% | 0.683 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.1 | -33.7 | -179.1 | -77.3 | -177.5 | 179.4 | 170.1 | 0 | 112.8 | E50 | K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 WeakPolarHBondContact O-CG 3.43Å; K46-E50 PolarHBondContact O-N 3.2Å |
| 47 | A | 41.4 | Very low | 46 | Very low | 60 Ų | 60 | 115.4 Ų | 115.4 | 50% | 0.496 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.8 | -34.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R45 T51 | R45-A47 PolarHBondContact O-N 2.71Å; A47-T51 WeakPolarHBondContact O-CG2 3.29Å; A47-T51 PolarHBondContact O-N 3.04Å |
| 48 | A | 42.9 | Very low | 48.9 | Very low | 61 Ų | 61 | 112 Ų | 112 | 50% | 0.504 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.6 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R45 T51 A52 | R45-A48 PolarHBondContact O-N 3.45Å; A48-T51 PolarHBondContact O-N 3.2Å; A48-T51 PolarHBondContact O-OG1 3.46Å; A48-A52 PolarHBondContact O-N 3.3Å |
| 49 | E | 39.5 | Very low | 51.8 | Low | 139 Ų | 139 | 114.4 Ų | 114.4 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71 | -35.2 | 174.9 | -94 | 177.6 | 152.8 | 0 | 0 | 113.4 | R45 T51 A52 A53 | R45-E49 PolarHBondContact O-N 3.35Å; E49-T51 PolarHBondContact O-N 3.1Å; E49-A52 PolarHBondContact O-N 3.38Å; E49-A52 VanDerWaalsContact O-N 3.17Å; E49-A53 PolarHBondContact O-N 3.24Å |
| 50 | E | 40.3 | Very low | 54.4 | Low | 154 Ų | 154 | 111.9 Ų | 111.9 | 72% | 0.72 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.5 | -29.2 | 173.1 | -88.3 | -176.5 | 143.9 | 0 | 0 | 112.4 | K46 | K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 WeakPolarHBondContact O-CG 3.43Å; K46-E50 PolarHBondContact O-N 3.2Å |
| 51 | T | 45 | Very low | 57.2 | Low | 47 Ų | 47 | 105.3 Ų | 105.3 | 29% | 0.288 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -82.5 | -24.5 | 174.9 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | A47 A48 E49 A53 R54 K139 | A47-T51 WeakPolarHBondContact O-CG2 3.29Å; A47-T51 PolarHBondContact O-N 3.04Å; A48-T51 PolarHBondContact O-N 3.2Å; A48-T51 PolarHBondContact O-OG1 3.46Å; E49-T51 PolarHBondContact O-N 3.1Å; T51-A53 VanDerWaalsContact C-N 3.32Å; T51-R54 VanDerWaalsContact O-CB 3.24Å; T51-R54 WeakPolarHBondContact O-CB 3.49Å; T51-R54 VanDerWaalsContact O-CG 3.27Å; T51-R54 WeakPolarHBondContact O-CG 3.28Å; T51-R54 PolarHBondContact O-N 3.39Å; T51-K139 PolarHBondContact OG1-NZ 3.19Å |
| 52 | A | 44.5 | Very low | 59.8 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 69% | 0.694 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.4 | -27 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A48 E49 R54 | A48-A52 PolarHBondContact O-N 3.3Å; E49-A52 PolarHBondContact O-N 3.38Å; E49-A52 VanDerWaalsContact O-N 3.17Å; A52-R54 PolarHBondContact O-N 2.79Å |
| 53 | A | 42.5 | Very low | 62.5 | Low | 71 Ų | 71 | 100.7 Ų | 100.7 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 19.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E49 T51 Y55 | E49-A53 PolarHBondContact O-N 3.24Å; T51-A53 VanDerWaalsContact C-N 3.32Å; A53-Y55 PolarHBondContact O-N 3.16Å |
| 54 | R | 53.7 | Low | 65.1 | Low | 149 Ų | 149 | 99 Ų | 99 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | trans | -53.9 | 104.4 | 167.1 | -95.4 | -177.1 | 177.9 | 172.7 | 6.5 | 107.9 | T51 A52 N56 E135 | T51-R54 VanDerWaalsContact O-CB 3.24Å; T51-R54 WeakPolarHBondContact O-CB 3.49Å; T51-R54 VanDerWaalsContact O-CG 3.27Å; T51-R54 WeakPolarHBondContact O-CG 3.28Å; T51-R54 PolarHBondContact O-N 3.39Å; A52-R54 PolarHBondContact O-N 2.79Å; R54-N56 PolarHBondContact O-N 3.28Å; R54-E135 IonicContact CZ-OE1 2.67Å; R54-E135 IonicContact NH1-OE1 2.7Å; R54-E135 PolarHBondContact NH1-OE1 2.9Å | ||
| 55 | Y | 59.8 | Low | 67.6 | Low | 167 Ų | 167 | 99 Ų | 99 | 66% | 0.655 | 49% | 0.494 | S | S | * | . | trans | -35.2 | 121.5 | -179.5 | -69.3 | -94.3 | 0 | 0 | 0 | 111.7 | A53 R57 | A53-Y55 PolarHBondContact O-N 3.16Å; Y55-R57 PolarHBondContact O-N 3.43Å; Y55-R57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | N | 85 | Confident | 70.1 | Confident | 51 Ų | 51 | 92.2 Ų | 92.2 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | trans | -46 | 122.2 | 166.5 | 171.4 | -67.1 | 0 | 0 | 0 | 108.4 | R54 L58 K59 L60 N129 | R54-N56 PolarHBondContact O-N 3.28Å; N56-L58 PolarHBondContact O-N 3.12Å; N56-L58 VanDerWaalsContact O-N 3.14Å; N56-L58 WeakPolarHBondContact OD1-CA 3.18Å; N56-L58 WeakPolarHBondContact OD1-CB 3.35Å; N56-L58 PolarHBondContact OD1-N 3.16Å; N56-K59 HydrophobicContact CB-CB 4.43Å; N56-K59 HydrophobicContact CB-CD 4.17Å; N56-K59 HydrophobicContact CB-CG 4.06Å; N56-K59 WeakPolarHBondContact O-CB 3.33Å; N56-K59 PolarHBondContact O-N 3.09Å; N56-K59 PolarHBondContact OD1-N 3.2Å; N56-L60 PolarHBondContact O-N 3.17Å; N56-L60 VanDerWaalsContact O-N 3.13Å; N56-N129 PolarHBondContact ND2-OD1 3.43Å | ||
| 57 | R | 93.3 | Very high | 73 | Confident | 80 Ų | 80 | 92.2 Ų | 92.2 | 30% | 0.302 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.1 | -32.8 | -171.3 | -79.7 | 177 | 172.3 | 86.7 | 2.8 | 112.5 | Y55 L60 F61 F128 D132 E135 | Y55-R57 PolarHBondContact O-N 3.43Å; Y55-R57 VanDerWaalsContact O-N 3.1Å; R57-L60 PolarHBondContact O-N 3.3Å; R57-F61 WeakPolarHBondContact O-CB 3.35Å; R57-F61 PolarHBondContact O-N 3.34Å; R57-F128 HydrophobicContact CB-CB 3.99Å; R57-F128 HydrophobicContact CB-CD1 3.74Å; R57-F128 HydrophobicContact CB-CE1 4.42Å; R57-F128 HydrophobicContact CB-CG 3.92Å; R57-D132 WeakPolarHBondContact CD-OD1 3.35Å; R57-D132 VanDerWaalsContact CG-OD1 3.22Å; R57-D132 WeakPolarHBondContact CG-OD1 3.15Å; R57-D132 IonicContact CZ-OD1 3.6Å; R57-D132 PolarHBondContact N-OD2 3.31Å; R57-D132 IonicContact NE-OD1 2.74Å; R57-D132 IonicContact NH1-OD1 3.21Å; R57-D132 PolarHBondContact NH1-OD1 3.34Å; R57-E135 IonicContact CZ-OE2 3.78Å; R57-E135 IonicContact NH1-OE2 2.65Å; R57-E135 PolarHBondContact NH1-OE2 3.29Å; R57-E135 IonicContact NH2-OE1 3.57Å; R57-E135 IonicContact NH2-OE2 3.83Å; R57-E135 PolarHBondContact NH2-OE2 3.42Å |
| 58 | L | 92.3 | Very high | 75.6 | Confident | 32 Ų | 32 | 92.5 Ų | 92.5 | 17% | 0.168 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.4 | -177.3 | 69.5 | 0 | 0 | 0 | 111.8 | N56 L60 F61 D62 M119 E125 F128 | N56-L58 PolarHBondContact O-N 3.12Å; N56-L58 VanDerWaalsContact O-N 3.14Å; N56-L58 WeakPolarHBondContact OD1-CA 3.18Å; N56-L58 WeakPolarHBondContact OD1-CB 3.35Å; N56-L58 PolarHBondContact OD1-N 3.16Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 3.46Å; L58-F61 WeakPolarHBondContact O-CB 3.39Å; L58-F61 PolarHBondContact O-N 3.26Å; L58-D62 PolarHBondContact O-N 3.17Å; L58-M119 HydrophobicContact CD1-CE 3.65Å; L58-E125 HydrophobicContact CD2-CB 3.95Å; L58-E125 HydrophobicContact CD2-CG 3.86Å; L58-F128 HydrophobicContact CB-CB 4.42Å; L58-F128 HydrophobicContact CB-CD2 4.17Å; L58-F128 HydrophobicContact CD1-CD2 4.02Å |
| 59 | K | 92.1 | Very high | 78.1 | Confident | 152 Ų | 152 | 90 Ų | 90 | 66% | 0.661 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 175.9 | -63.8 | -173.6 | -178 | -179.1 | 0 | 112 | N56 K63 | N56-K59 HydrophobicContact CB-CB 4.43Å; N56-K59 HydrophobicContact CB-CD 4.17Å; N56-K59 HydrophobicContact CB-CG 4.06Å; N56-K59 WeakPolarHBondContact O-CB 3.33Å; N56-K59 PolarHBondContact O-N 3.09Å; N56-K59 PolarHBondContact OD1-N 3.2Å; K59-K63 WeakPolarHBondContact O-CB 3.2Å; K59-K63 PolarHBondContact O-N 3.45Å |
| 60 | L | 94.2 | Very high | 80.7 | Confident | 88 Ų | 88 | 87 Ų | 87 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 175.3 | -180 | 61.9 | 0 | 0 | 0 | 110.9 | N56 R57 L58 K63 V64 | N56-L60 PolarHBondContact O-N 3.17Å; N56-L60 VanDerWaalsContact O-N 3.13Å; R57-L60 PolarHBondContact O-N 3.3Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 PolarHBondContact O-N 3.46Å; L60-K63 PolarHBondContact O-N 2.84Å; L60-V64 HydrophobicContact CD1-CG2 4.24Å; L60-V64 VanDerWaalsContact O-CG2 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.46Å; L60-V64 PolarHBondContact O-N 3.42Å |
| 61 | F | 94.3 | Very high | 83.4 | Confident | 51 Ų | 51 | 85.6 Ų | 85.6 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.2 | -53.4 | 175.8 | 177.7 | -92.1 | 0 | 0 | 0 | 111.4 | R57 L58 K63 V64 I65 M119 F124 F128 | R57-F61 WeakPolarHBondContact O-CB 3.35Å; R57-F61 PolarHBondContact O-N 3.34Å; L58-F61 WeakPolarHBondContact O-CB 3.39Å; L58-F61 PolarHBondContact O-N 3.26Å; F61-K63 VanDerWaalsContact C-N 3.34Å; F61-K63 PolarHBondContact O-N 3.2Å; F61-V64 PolarHBondContact O-N 3.16Å; F61-V64 VanDerWaalsContact O-N 3.14Å; F61-I65 HydrophobicContact CD1-CG1 4.09Å; F61-I65 HydrophobicContact CD2-CG1 4.32Å; F61-I65 HydrophobicContact CE1-CG1 3.69Å; F61-I65 HydrophobicContact CE2-CD1 4.16Å; F61-I65 HydrophobicContact CE2-CG1 3.96Å; F61-I65 HydrophobicContact CG-CG1 4.38Å; F61-I65 HydrophobicContact CZ-CD1 3.97Å; F61-I65 HydrophobicContact CZ-CG1 3.63Å; F61-I65 WeakPolarHBondContact O-CB 3.46Å; F61-I65 WeakPolarHBondContact O-CG1 3.48Å; F61-I65 PolarHBondContact O-N 3.09Å; F61-M119 HydrophobicContact CD1-CE 4.22Å; F61-M119 HydrophobicContact CD1-SD 4.28Å; F61-M119 HydrophobicContact CE1-CE 4.15Å; F61-M119 HydrophobicContact CE1-CG 3.89Å; F61-M119 HydrophobicContact CE1-SD 3.67Å; F61-F124 HydrophobicContact CE1-CD2 4.2Å; F61-F124 HydrophobicContact CE2-CD2 4.3Å; F61-F124 HydrophobicContact CE2-CE2 4.04Å; F61-F124 AromaticContact CZ-CD2 3.97Å; F61-F124 HydrophobicContact CZ-CD2 3.97Å; F61-F124 AromaticContact CZ-CE2 3.84Å; F61-F124 HydrophobicContact CZ-CE2 3.84Å; F61-F128 HydrophobicContact CB-CE2 4.01Å; F61-F128 HydrophobicContact CB-CZ 4.41Å; F61-F128 HydrophobicContact CD2-CE2 4.23Å; F61-F128 HydrophobicContact CD2-CZ 4.21Å; F61-F128 HydrophobicContact CG-CE2 4.01Å; F61-F128 HydrophobicContact CG-CZ 4.4Å |
| 62 | D | 93.7 | Very high | 85.7 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.1 | -48 | 178.4 | 179.4 | 54.3 | 0 | 0 | 0 | 111.2 | L58 V64 I65 Q66 | L58-D62 PolarHBondContact O-N 3.17Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-V64 PolarHBondContact O-N 2.93Å; D62-I65 PolarHBondContact O-N 3.09Å; D62-Q66 VanDerWaalsContact O-CG 3.31Å; D62-Q66 WeakPolarHBondContact O-CG 3.41Å; D62-Q66 PolarHBondContact O-N 3.42Å; D62-Q66 PolarHBondContact OD1-NE2 3.11Å |
| 63 | K | 95.2 | Very high | 88 | Confident | 134 Ų | 134 | 85.6 Ų | 85.6 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.5 | -44.2 | 176.9 | -175.8 | 176.9 | -178.4 | 177.4 | 0 | 113 | K59 L60 F61 K67 | K59-K63 WeakPolarHBondContact O-CB 3.2Å; K59-K63 PolarHBondContact O-N 3.45Å; L60-K63 PolarHBondContact O-N 2.84Å; F61-K63 VanDerWaalsContact C-N 3.34Å; F61-K63 PolarHBondContact O-N 3.2Å; K63-K67 VanDerWaalsContact O-CB 3.26Å; K63-K67 WeakPolarHBondContact O-CB 3.45Å; K63-K67 PolarHBondContact O-N 3.23Å; K63-K67 VanDerWaalsContact O-N 3.09Å |
| 64 | V | 96.4 | Very high | 90.4 | Very high | 76 Ų | 76 | 88.7 Ų | 88.7 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 179.9 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | L60 F61 D62 S68 | L60-V64 HydrophobicContact CD1-CG2 4.24Å; L60-V64 VanDerWaalsContact O-CG2 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.46Å; L60-V64 PolarHBondContact O-N 3.42Å; F61-V64 PolarHBondContact O-N 3.16Å; F61-V64 VanDerWaalsContact O-N 3.14Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-V64 PolarHBondContact O-N 2.93Å; V64-S68 WeakPolarHBondContact O-CB 3.47Å; V64-S68 PolarHBondContact O-N 3.3Å; V64-S68 PolarHBondContact O-OG 3.23Å |
| 65 | I | 95.4 | Very high | 92.1 | Very high | 42 Ų | 42 | 87.8 Ų | 87.8 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66 | -49.8 | 179.5 | -70.5 | -62.9 | 0 | 0 | 0 | 111.2 | F61 D62 K67 S68 L69 I115 | F61-I65 HydrophobicContact CD1-CG1 4.09Å; F61-I65 HydrophobicContact CD2-CG1 4.32Å; F61-I65 HydrophobicContact CE1-CG1 3.69Å; F61-I65 HydrophobicContact CE2-CD1 4.16Å; F61-I65 HydrophobicContact CE2-CG1 3.96Å; F61-I65 HydrophobicContact CG-CG1 4.38Å; F61-I65 HydrophobicContact CZ-CD1 3.97Å; F61-I65 HydrophobicContact CZ-CG1 3.63Å; F61-I65 WeakPolarHBondContact O-CB 3.46Å; F61-I65 WeakPolarHBondContact O-CG1 3.48Å; F61-I65 PolarHBondContact O-N 3.09Å; D62-I65 PolarHBondContact O-N 3.09Å; I65-K67 VanDerWaalsContact C-N 3.31Å; I65-K67 PolarHBondContact O-N 3.25Å; I65-S68 PolarHBondContact O-N 3.4Å; I65-S68 VanDerWaalsContact O-N 3.14Å; I65-L69 WeakPolarHBondContact O-CB 3.46Å; I65-L69 PolarHBondContact O-N 3.37Å; I65-I115 HydrophobicContact CG2-CD1 3.7Å; I65-I115 HydrophobicContact CG2-CG2 3.97Å |
| 66 | Q | 95.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 81.2 Ų | 81.2 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 177.6 | -64.8 | -55.9 | -26.9 | 0 | 0 | 111.4 | D62 S68 L69 N70 | D62-Q66 VanDerWaalsContact O-CG 3.31Å; D62-Q66 WeakPolarHBondContact O-CG 3.41Å; D62-Q66 PolarHBondContact O-N 3.42Å; D62-Q66 PolarHBondContact OD1-NE2 3.11Å; Q66-S68 VanDerWaalsContact C-N 3.33Å; Q66-S68 PolarHBondContact O-N 2.91Å; Q66-L69 PolarHBondContact O-N 2.73Å; Q66-N70 WeakPolarHBondContact O-CB 3.43Å; Q66-N70 PolarHBondContact O-N 2.99Å; Q66-N70 PolarHBondContact O-ND2 3.39Å |
| 67 | K | 96.8 | Very high | 93.6 | Very high | 157 Ų | 157 | 80.9 Ų | 80.9 | 68% | 0.683 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 177.1 | -172.6 | 174.7 | -177.8 | 179.4 | 0 | 112.2 | K63 I65 K71 | K63-K67 VanDerWaalsContact O-CB 3.26Å; K63-K67 WeakPolarHBondContact O-CB 3.45Å; K63-K67 PolarHBondContact O-N 3.23Å; K63-K67 VanDerWaalsContact O-N 3.09Å; I65-K67 VanDerWaalsContact C-N 3.31Å; I65-K67 PolarHBondContact O-N 3.25Å; K67-K71 WeakPolarHBondContact O-CB 3.26Å; K67-K71 PolarHBondContact O-N 3.42Å; K67-K71 VanDerWaalsContact O-N 3.09Å |
| 68 | S | 96.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 79.4 Ų | 79.4 | 47% | 0.469 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 178.9 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | V64 I65 Q66 K71 F72 | V64-S68 WeakPolarHBondContact O-CB 3.47Å; V64-S68 PolarHBondContact O-N 3.3Å; V64-S68 PolarHBondContact O-OG 3.23Å; I65-S68 PolarHBondContact O-N 3.4Å; I65-S68 VanDerWaalsContact O-N 3.14Å; Q66-S68 VanDerWaalsContact C-N 3.33Å; Q66-S68 PolarHBondContact O-N 2.91Å; S68-K71 PolarHBondContact O-N 2.92Å; S68-F72 WeakPolarHBondContact O-CB 3.37Å; S68-F72 PolarHBondContact O-N 3.35Å |
| 69 | L | 95.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 86.2 Ų | 86.2 | 4% | 0.042 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 175.6 | 178.9 | 59.3 | 0 | 0 | 0 | 111.6 | I65 Q66 K71 F72 I73 Q108 I111 Q112 | I65-L69 WeakPolarHBondContact O-CB 3.46Å; I65-L69 PolarHBondContact O-N 3.37Å; Q66-L69 PolarHBondContact O-N 2.73Å; L69-K71 VanDerWaalsContact C-N 3.29Å; L69-K71 PolarHBondContact O-N 3.32Å; L69-F72 WeakPolarHBondContact O-CB 3.45Å; L69-F72 PolarHBondContact O-N 3.31Å; L69-F72 VanDerWaalsContact O-N 3.09Å; L69-I73 HydrophobicContact CD1-CG1 4.21Å; L69-I73 WeakPolarHBondContact O-CG1 3.39Å; L69-I73 PolarHBondContact O-N 3.23Å; L69-Q108 HydrophobicContact CD2-CG 3.91Å; L69-Q108 HydrophobicContact CG-CG 4.28Å; L69-I111 HydrophobicContact CD1-CB 4.12Å; L69-I111 HydrophobicContact CD1-CD1 4.03Å; L69-I111 HydrophobicContact CD1-CG2 3.81Å; L69-Q112 HydrophobicContact CD2-CG 3.38Å |
| 70 | N | 94.2 | Very high | 93 | Very high | 75 Ų | 75 | 82.5 Ų | 82.5 | 40% | 0.401 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.3 | -45.1 | 177.2 | -71.2 | -17.2 | 0 | 0 | 0 | 111.2 | Q66 F72 I73 E74 | Q66-N70 WeakPolarHBondContact O-CB 3.43Å; Q66-N70 PolarHBondContact O-N 2.99Å; Q66-N70 PolarHBondContact O-ND2 3.39Å; N70-F72 VanDerWaalsContact C-N 3.33Å; N70-F72 PolarHBondContact O-N 3.46Å; N70-I73 PolarHBondContact O-N 2.98Å; N70-E74 WeakPolarHBondContact O-CG 3.47Å; N70-E74 PolarHBondContact O-N 2.99Å |
| 71 | K | 95.8 | Very high | 92.8 | Very high | 126 Ų | 126 | 80.2 Ų | 80.2 | 55% | 0.548 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.6 | -169.7 | 174.3 | -177.5 | -179.1 | 0 | 112.4 | K67 S68 L69 E74 H75 | K67-K71 WeakPolarHBondContact O-CB 3.26Å; K67-K71 PolarHBondContact O-N 3.42Å; K67-K71 VanDerWaalsContact O-N 3.09Å; S68-K71 PolarHBondContact O-N 2.92Å; L69-K71 VanDerWaalsContact C-N 3.29Å; L69-K71 PolarHBondContact O-N 3.32Å; K71-E74 PolarHBondContact O-N 3.47Å; K71-H75 PolarHBondContact O-CD2 2.93Å; K71-H75 PolarHBondContact O-N 3.2Å |
| 72 | F | 94.1 | Very high | 92.5 | Very high | 105 Ų | 105 | 78.5 Ų | 78.5 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.1 | 176.4 | -103.4 | 0 | 0 | 0 | 111.7 | S68 L69 N70 H75 A76 L107 I111 | S68-F72 WeakPolarHBondContact O-CB 3.37Å; S68-F72 PolarHBondContact O-N 3.35Å; L69-F72 WeakPolarHBondContact O-CB 3.45Å; L69-F72 PolarHBondContact O-N 3.31Å; L69-F72 VanDerWaalsContact O-N 3.09Å; N70-F72 VanDerWaalsContact C-N 3.33Å; N70-F72 PolarHBondContact O-N 3.46Å; F72-H75 WeakPolarHBondContact O-CB 3.32Å; F72-H75 PolarHBondContact O-N 3.45Å; F72-A76 PolarHBondContact O-N 2.92Å; F72-L107 HydrophobicContact CE1-CD2 3.97Å; F72-L107 HydrophobicContact CE1-CG 4.48Å; F72-I111 HydrophobicContact CD1-CD1 4.2Å; F72-I111 HydrophobicContact CE1-CD1 3.87Å |
| 73 | I | 92.8 | Very high | 92.3 | Very high | 25 Ų | 25 | 77.7 Ų | 77.7 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.6 | -65.2 | -58 | 0 | 0 | 0 | 111.9 | L69 N70 H75 A76 T104 L107 Q108 | L69-I73 HydrophobicContact CD1-CG1 4.21Å; L69-I73 WeakPolarHBondContact O-CG1 3.39Å; L69-I73 PolarHBondContact O-N 3.23Å; N70-I73 PolarHBondContact O-N 2.98Å; I73-H75 VanDerWaalsContact C-N 3.25Å; I73-H75 PolarHBondContact O-N 3.03Å; I73-A76 CarbonylContact O-C 3.45Å; I73-A76 WeakPolarHBondContact O-CA 3.39Å; I73-A76 WeakPolarHBondContact O-CB 3.38Å; I73-A76 PolarHBondContact O-N 3.45Å; I73-T104 HydrophobicContact CD1-CG2 4.16Å; I73-T104 HydrophobicContact CG2-CG2 3.31Å; I73-L107 HydrophobicContact CD1-CD2 4.29Å; I73-L107 HydrophobicContact CD1-CG 4.42Å; I73-Q108 HydrophobicContact CD1-CB 4.05Å; I73-Q108 HydrophobicContact CG1-CB 4.27Å; I73-Q108 HydrophobicContact CG1-CG 4.4Å |
| 74 | E | 92 | Very high | 91.9 | Very high | 136 Ų | 136 | 75.8 Ų | 75.8 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.7 | -37.1 | 173.8 | -74.6 | 169.4 | -169.6 | 0 | 0 | 112.3 | N70 K71 A76 S77 | N70-E74 WeakPolarHBondContact O-CG 3.47Å; N70-E74 PolarHBondContact O-N 2.99Å; K71-E74 PolarHBondContact O-N 3.47Å; E74-A76 VanDerWaalsContact C-N 3.29Å; E74-A76 PolarHBondContact O-N 3.37Å; E74-S77 WeakPolarHBondContact O-CB 3.3Å; E74-S77 PolarHBondContact O-N 3.15Å |
| 75 | H | 89.5 | Confident | 91.4 | Very high | 130 Ų | 130 | 76.4 Ų | 76.4 | 60% | 0.602 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.8 | -31.6 | 174.9 | -73.8 | -64.6 | 0 | 0 | 0 | 112.6 | K71 F72 I73 S77 | K71-H75 PolarHBondContact O-CD2 2.93Å; K71-H75 PolarHBondContact O-N 3.2Å; F72-H75 WeakPolarHBondContact O-CB 3.32Å; F72-H75 PolarHBondContact O-N 3.45Å; I73-H75 VanDerWaalsContact C-N 3.25Å; I73-H75 PolarHBondContact O-N 3.03Å; H75-S77 PolarHBondContact O-N 3.47Å; H75-S77 VanDerWaalsContact O-N 3.11Å |
| 76 | A | 87.9 | Confident | 90.9 | Very high | 30 Ų | 30 | 82.4 Ų | 82.4 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 28 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F72 I73 E74 H100 | F72-A76 PolarHBondContact O-N 2.92Å; I73-A76 CarbonylContact O-C 3.45Å; I73-A76 WeakPolarHBondContact O-CA 3.39Å; I73-A76 WeakPolarHBondContact O-CB 3.38Å; I73-A76 PolarHBondContact O-N 3.45Å; E74-A76 VanDerWaalsContact C-N 3.29Å; E74-A76 PolarHBondContact O-N 3.37Å; A76-H100 PolarHBondContact O-CE1 3.14Å; A76-H100 PolarHBondContact O-NE2 3.09Å |
| 77 | S | 89.7 | Confident | 90.5 | Very high | 44 Ų | 44 | 84 Ų | 84 | 31% | 0.308 | 42% | 0.423 | S | S | . | . | trans | -55.9 | 153.4 | -178.1 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | E74 H75 K79 V80 F81 | E74-S77 WeakPolarHBondContact O-CB 3.3Å; E74-S77 PolarHBondContact O-N 3.15Å; H75-S77 PolarHBondContact O-N 3.47Å; H75-S77 VanDerWaalsContact O-N 3.11Å; S77-K79 PolarHBondContact O-N 3.39Å; S77-V80 PolarHBondContact O-N 3.37Å; S77-V80 VanDerWaalsContact O-N 3.09Å; S77-V80 WeakPolarHBondContact OG-CG2 3.33Å; S77-F81 PolarHBondContact O-N 3.01Å; S77-F81 VanDerWaalsContact O-N 3.16Å | ||
| 78 | F | 88.6 | Confident | 89.7 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 21% | 0.211 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.1 | -34.4 | 177.5 | -175.7 | -121.9 | 0 | 0 | 0 | 113.2 | V80 F81 A82 Y89 E97 H100 | F78-V80 VanDerWaalsContact C-N 3.33Å; F78-V80 PolarHBondContact O-N 3.3Å; F78-F81 HydrophobicContact CD2-CD1 4.28Å; F78-F81 HydrophobicContact CE2-CD1 4.4Å; F78-F81 PolarHBondContact O-N 3.28Å; F78-A82 VanDerWaalsContact O-CB 3.28Å; F78-A82 WeakPolarHBondContact O-CB 3.41Å; F78-A82 PolarHBondContact O-N 3.29Å; F78-Y89 AromaticContact CE1-CE2 3.83Å; F78-Y89 HydrophobicContact CE1-CE2 3.83Å; F78-Y89 HydrophobicContact CE2-CE2 4.4Å; F78-Y89 HydrophobicContact CZ-CD2 4.27Å; F78-Y89 AromaticContact CZ-CE2 3.46Å; F78-Y89 HydrophobicContact CZ-CE2 3.46Å; F78-Y89 VanDerWaalsContact CZ-CE2 3.46Å; F78-E97 HydrophobicContact CE1-CB 4.41Å; F78-E97 HydrophobicContact CE1-CG 4.27Å; F78-E97 VanDerWaalsContact CE2-CA 3.48Å; F78-E97 HydrophobicContact CE2-CB 4.02Å; F78-E97 HydrophobicContact CE2-CG 4.28Å; F78-E97 HydrophobicContact CZ-CB 3.65Å; F78-E97 HydrophobicContact CZ-CG 3.91Å; F78-H100 HydrophobicContact CD2-CB 3.61Å; F78-H100 AromaticContact CD2-CG 3.58Å; F78-H100 AromaticContact CD2-ND1 3.62Å; F78-H100 HydrophobicContact CE2-CB 3.93Å; F78-H100 PolarHBondContact N-CE1 2.89Å; F78-H100 VanDerWaalsContact N-CE1 3.3Å |
| 79 | K | 88.1 | Confident | 89 | Confident | 175 Ų | 175 | 81.2 Ų | 81.2 | 76% | 0.761 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.3 | -44.9 | 177.9 | -177.8 | -178.3 | 177.4 | -177.2 | 0 | 111.6 | S77 S83 | S77-K79 PolarHBondContact O-N 3.39Å; K79-S83 WeakPolarHBondContact O-CB 3.37Å; K79-S83 PolarHBondContact O-N 3.17Å; K79-S83 VanDerWaalsContact O-N 3.1Å; K79-S83 PolarHBondContact O-OG 2.89Å |
| 80 | V | 88.4 | Confident | 88.5 | Confident | 75 Ų | 75 | 89.4 Ų | 89.4 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | S77 F78 A82 S83 T84 | S77-V80 PolarHBondContact O-N 3.37Å; S77-V80 VanDerWaalsContact O-N 3.09Å; S77-V80 WeakPolarHBondContact OG-CG2 3.33Å; F78-V80 VanDerWaalsContact C-N 3.33Å; F78-V80 PolarHBondContact O-N 3.3Å; V80-A82 PolarHBondContact O-N 3.23Å; V80-S83 PolarHBondContact O-N 2.7Å; V80-S83 PolarHBondContact O-OG 3.42Å; V80-T84 PolarHBondContact O-N 2.78Å; V80-T84 PolarHBondContact O-OG1 3.44Å; V80-T84 VanDerWaalsContact O-OG1 3.14Å |
| 81 | F | 88.4 | Confident | 88.1 | Confident | 40 Ų | 40 | 93.7 Ų | 93.7 | 18% | 0.175 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.3 | -49 | 179.4 | -174 | -106.6 | 0 | 0 | 0 | 113.5 | S77 F78 S83 T84 F85 M96 I99 H100 | S77-F81 PolarHBondContact O-N 3.01Å; S77-F81 VanDerWaalsContact O-N 3.16Å; F78-F81 HydrophobicContact CD2-CD1 4.28Å; F78-F81 HydrophobicContact CE2-CD1 4.4Å; F78-F81 PolarHBondContact O-N 3.28Å; F81-S83 VanDerWaalsContact C-N 3.3Å; F81-S83 PolarHBondContact O-N 3.34Å; F81-T84 PolarHBondContact O-N 2.92Å; F81-F85 HydrophobicContact CD2-CD2 4.02Å; F81-F85 AromaticContact CD2-CE2 3.96Å; F81-F85 HydrophobicContact CD2-CE2 3.96Å; F81-F85 AromaticContact CE2-CD2 3.9Å; F81-F85 HydrophobicContact CE2-CD2 3.9Å; F81-F85 AromaticContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CG-CD2 4.44Å; F81-F85 HydrophobicContact CZ-CD2 4.26Å; F81-F85 HydrophobicContact CZ-CE2 4.41Å; F81-F85 WeakPolarHBondContact O-CD2 3.3Å; F81-F85 PolarHBondContact O-N 3.21Å; F81-F85 VanDerWaalsContact O-N 3.17Å; F81-M96 HydrophobicContact CD1-CE 4.09Å; F81-M96 HydrophobicContact CE1-CE 3.08Å; F81-M96 HydrophobicContact CE1-CG 4.04Å; F81-M96 HydrophobicContact CE1-SD 4.36Å; F81-M96 HydrophobicContact CE2-CE 4.39Å; F81-M96 HydrophobicContact CZ-CE 3.27Å; F81-I99 HydrophobicContact CZ-CG2 4.48Å; F81-H100 HydrophobicContact CD1-CB 3.67Å; F81-H100 AromaticContact CD1-CD2 3.64Å; F81-H100 AromaticContact CD1-CG 3.88Å; F81-H100 AromaticContact CD2-CD2 3.94Å; F81-H100 HydrophobicContact CE1-CB 3.68Å; F81-H100 HydrophobicContact CG-CB 4.39Å; F81-H100 AromaticContact CG-CD2 3.46Å; F81-H100 VanDerWaalsContact CG-CD2 3.46Å; F81-H100 WeakPolarHBondContact CG-CD2 3.23Å; F81-H100 HydrophobicContact CZ-CB 4.46Å |
| 82 | A | 88.2 | Confident | 87.7 | Confident | 14 Ų | 14 | 92.4 Ų | 92.4 | 12% | 0.116 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F78 V80 T84 R86 Y89 | F78-A82 VanDerWaalsContact O-CB 3.28Å; F78-A82 WeakPolarHBondContact O-CB 3.41Å; F78-A82 PolarHBondContact O-N 3.29Å; V80-A82 PolarHBondContact O-N 3.23Å; A82-T84 VanDerWaalsContact C-N 3.35Å; A82-R86 PolarHBondContact O-N 2.88Å; A82-Y89 HydrophobicContact CB-CD2 4.01Å; A82-Y89 HydrophobicContact CB-CE2 4.15Å; A82-Y89 HydrophobicContact CB-CG 4.31Å |
| 83 | S | 88.9 | Confident | 87.3 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 42% | 0.42 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 177.1 | 77.4 | 0 | 0 | 0 | 0 | 112.9 | K79 V80 F81 R86 | K79-S83 WeakPolarHBondContact O-CB 3.37Å; K79-S83 PolarHBondContact O-N 3.17Å; K79-S83 VanDerWaalsContact O-N 3.1Å; K79-S83 PolarHBondContact O-OG 2.89Å; V80-S83 PolarHBondContact O-N 2.7Å; V80-S83 PolarHBondContact O-OG 3.42Å; F81-S83 VanDerWaalsContact C-N 3.3Å; F81-S83 PolarHBondContact O-N 3.34Å; S83-R86 WeakPolarHBondContact O-CG 3.33Å |
| 84 | T | 88.2 | Confident | 87.1 | Confident | 95 Ų | 95 | 96.7 Ų | 96.7 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -77.4 | -36.7 | 178.3 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | V80 F81 A82 | V80-T84 PolarHBondContact O-N 2.78Å; V80-T84 PolarHBondContact O-OG1 3.44Å; V80-T84 VanDerWaalsContact O-OG1 3.14Å; F81-T84 PolarHBondContact O-N 2.92Å; A82-T84 VanDerWaalsContact C-N 3.35Å |
| 85 | F | 86.3 | Confident | 87 | Confident | 88 Ų | 88 | 98 Ų | 98 | 39% | 0.386 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 36.5 | -178 | -61.3 | -73.8 | 0 | 0 | 0 | 113.9 | F81 P87 L88 Y89 M96 | F81-F85 HydrophobicContact CD2-CD2 4.02Å; F81-F85 AromaticContact CD2-CE2 3.96Å; F81-F85 HydrophobicContact CD2-CE2 3.96Å; F81-F85 AromaticContact CE2-CD2 3.9Å; F81-F85 HydrophobicContact CE2-CD2 3.9Å; F81-F85 AromaticContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CG-CD2 4.44Å; F81-F85 HydrophobicContact CZ-CD2 4.26Å; F81-F85 HydrophobicContact CZ-CE2 4.41Å; F81-F85 WeakPolarHBondContact O-CD2 3.3Å; F81-F85 PolarHBondContact O-N 3.21Å; F81-F85 VanDerWaalsContact O-N 3.17Å; F85-P87 VanDerWaalsContact C-CD 3.46Å; F85-L88 HydrophobicContact CD1-CD1 4.45Å; F85-L88 PolarHBondContact O-N 3.47Å; F85-L88 VanDerWaalsContact O-N 3.09Å; F85-Y89 PolarHBondContact O-N 3.37Å; F85-Y89 VanDerWaalsContact O-N 3.16Å; F85-M96 HydrophobicContact CB-CE 4.22Å; F85-M96 HydrophobicContact CD2-CE 4.41Å; F85-M96 HydrophobicContact CG-CE 4.41Å |
| 86 | R | 85.1 | Confident | 87 | Confident | 168 Ų | 168 | 92.9 Ų | 92.9 | 63% | 0.634 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -46.2 | -46.4 | -175.9 | -87.5 | 174.1 | -177.7 | 165.4 | 3 | 115.8 | A82 S83 L88 Y89 K90 | A82-R86 PolarHBondContact O-N 2.88Å; S83-R86 WeakPolarHBondContact O-CG 3.33Å; R86-L88 VanDerWaalsContact C-N 3.28Å; R86-L88 PolarHBondContact O-N 3.41Å; R86-Y89 PolarHBondContact O-N 3.02Å; R86-K90 PolarHBondContact O-N 2.94Å |
| 87 | P | 85.3 | Confident | 87.1 | Confident | 97 Ų | 97 | 96.5 Ų | 96.5 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.2 | -31.7 | -177 | -23.3 | 34.9 | 0 | 0 | 0 | 113.7 | F85 | F85-P87 VanDerWaalsContact C-CD 3.46Å |
| 88 | L | 79.9 | Confident | 87.2 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -79.8 | -38.3 | 179.4 | -63.2 | 174.7 | 0 | 0 | 0 | 111.1 | F85 R86 K90 K91 N92 M96 | F85-L88 HydrophobicContact CD1-CD1 4.45Å; F85-L88 PolarHBondContact O-N 3.47Å; F85-L88 VanDerWaalsContact O-N 3.09Å; R86-L88 VanDerWaalsContact C-N 3.28Å; R86-L88 PolarHBondContact O-N 3.41Å; L88-K90 PolarHBondContact O-N 2.87Å; L88-K91 PolarHBondContact O-N 3.22Å; L88-K91 VanDerWaalsContact O-N 3.16Å; L88-N92 PolarHBondContact O-N 3.47Å; L88-M96 HydrophobicContact CB-SD 4.43Å |
| 89 | Y | 82.7 | Confident | 87.3 | Confident | 69 Ų | 69 | 102.4 Ų | 102.4 | 27% | 0.271 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 178.2 | -171.8 | -102.6 | 0 | 0 | 0 | 112.8 | F78 A82 F85 R86 K91 N92 V93 M96 | F78-Y89 AromaticContact CE1-CE2 3.83Å; F78-Y89 HydrophobicContact CE1-CE2 3.83Å; F78-Y89 HydrophobicContact CE2-CE2 4.4Å; F78-Y89 HydrophobicContact CZ-CD2 4.27Å; F78-Y89 AromaticContact CZ-CE2 3.46Å; F78-Y89 HydrophobicContact CZ-CE2 3.46Å; F78-Y89 VanDerWaalsContact CZ-CE2 3.46Å; A82-Y89 HydrophobicContact CB-CD2 4.01Å; A82-Y89 HydrophobicContact CB-CE2 4.15Å; A82-Y89 HydrophobicContact CB-CG 4.31Å; F85-Y89 PolarHBondContact O-N 3.37Å; F85-Y89 VanDerWaalsContact O-N 3.16Å; R86-Y89 PolarHBondContact O-N 3.02Å; Y89-K91 PolarHBondContact O-N 3.37Å; Y89-K91 VanDerWaalsContact O-N 3.12Å; Y89-N92 CarbonylContact O-C 3.59Å; Y89-N92 PolarHBondContact O-N 2.91Å; Y89-V93 HydrophobicContact CD1-CG2 3.97Å; Y89-V93 HydrophobicContact CD2-CG2 4.36Å; Y89-V93 HydrophobicContact CE1-CB 4.48Å; Y89-V93 HydrophobicContact CE1-CG1 4.28Å; Y89-V93 HydrophobicContact CE1-CG2 3.61Å; Y89-V93 HydrophobicContact CE2-CB 4.06Å; Y89-V93 HydrophobicContact CE2-CG1 3.63Å; Y89-V93 HydrophobicContact CE2-CG2 3.99Å; Y89-V93 HydrophobicContact CG-CG2 4.35Å; Y89-V93 VanDerWaalsContact CZ-CG1 3.45Å; Y89-V93 VanDerWaalsContact O-CG2 3.29Å; Y89-V93 WeakPolarHBondContact O-CG2 3.47Å; Y89-V93 PolarHBondContact O-N 3.14Å; Y89-V93 WeakPolarHBondContact OH-CG1 3.49Å; Y89-M96 HydrophobicContact CD2-CB 4Å; Y89-M96 HydrophobicContact CD2-CG 4.14Å |
| 90 | K | 84.1 | Confident | 87.5 | Confident | 180 Ų | 180 | 95 Ų | 95 | 78% | 0.783 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.6 | 178.1 | -72.2 | -176.7 | 179.3 | -174.6 | 0 | 113.8 | R86 L88 | R86-K90 PolarHBondContact O-N 2.94Å; L88-K90 PolarHBondContact O-N 2.87Å |
| 91 | K | 86.3 | Confident | 87.8 | Confident | 166 Ų | 166 | 97.5 Ų | 97.5 | 72% | 0.722 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -39.9 | -178.9 | -68.8 | -176.5 | 177.7 | -176.9 | 0 | 112.7 | L88 Y89 | L88-K91 PolarHBondContact O-N 3.22Å; L88-K91 VanDerWaalsContact O-N 3.16Å; Y89-K91 PolarHBondContact O-N 3.37Å; Y89-K91 VanDerWaalsContact O-N 3.12Å |
| 92 | N | 86.2 | Confident | 88.1 | Confident | 98 Ų | 98 | 100.9 Ų | 100.9 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | trans | -154.3 | 84.4 | -177.2 | -87.9 | -61 | 0 | 0 | 0 | 111.5 | L88 Y89 K94 R95 M96 | L88-N92 PolarHBondContact O-N 3.47Å; Y89-N92 CarbonylContact O-C 3.59Å; Y89-N92 PolarHBondContact O-N 2.91Å; N92-K94 PolarHBondContact O-N 3.32Å; N92-R95 HydrophobicContact CB-CB 4.16Å; N92-M96 PolarHBondContact O-N 3.4Å | ||
| 93 | V | 87.5 | Confident | 88.3 | Confident | 57 Ų | 57 | 105.1 Ų | 105.1 | 35% | 0.345 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 179.9 | 170.3 | 0 | 0 | 0 | 0 | 112.3 | Y89 R95 M96 E97 | Y89-V93 HydrophobicContact CD1-CG2 3.97Å; Y89-V93 HydrophobicContact CD2-CG2 4.36Å; Y89-V93 HydrophobicContact CE1-CB 4.48Å; Y89-V93 HydrophobicContact CE1-CG1 4.28Å; Y89-V93 HydrophobicContact CE1-CG2 3.61Å; Y89-V93 HydrophobicContact CE2-CB 4.06Å; Y89-V93 HydrophobicContact CE2-CG1 3.63Å; Y89-V93 HydrophobicContact CE2-CG2 3.99Å; Y89-V93 HydrophobicContact CG-CG2 4.35Å; Y89-V93 VanDerWaalsContact CZ-CG1 3.45Å; Y89-V93 VanDerWaalsContact O-CG2 3.29Å; Y89-V93 WeakPolarHBondContact O-CG2 3.47Å; Y89-V93 PolarHBondContact O-N 3.14Å; Y89-V93 WeakPolarHBondContact OH-CG1 3.49Å; V93-R95 PolarHBondContact O-N 2.94Å; V93-M96 PolarHBondContact O-N 2.88Å; V93-M96 VanDerWaalsContact O-N 3.15Å; V93-E97 PolarHBondContact O-N 2.96Å |
| 94 | K | 88.3 | Confident | 88.6 | Confident | 164 Ų | 164 | 103.2 Ų | 103.2 | 71% | 0.713 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.4 | -48.4 | -175.9 | -66.3 | -175.1 | 177.5 | -177.2 | 0 | 112.5 | N92 M96 E97 E98 | N92-K94 PolarHBondContact O-N 3.32Å; K94-M96 VanDerWaalsContact C-N 3.29Å; K94-M96 PolarHBondContact O-N 3.36Å; K94-E97 WeakPolarHBondContact O-CB 3.46Å; K94-E97 PolarHBondContact O-N 2.71Å; K94-E98 WeakPolarHBondContact O-CG 3.37Å; K94-E98 PolarHBondContact O-N 2.96Å |
| 95 | R | 88.4 | Confident | 88.9 | Confident | 163 Ų | 163 | 103.4 Ų | 103.4 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.7 | -38.5 | 177.4 | -173.9 | -177.3 | -69 | -162.5 | -1.8 | 111.6 | N92 V93 E97 E98 I99 | N92-R95 HydrophobicContact CB-CB 4.16Å; V93-R95 PolarHBondContact O-N 2.94Å; R95-E97 VanDerWaalsContact C-N 3.34Å; R95-E98 PolarHBondContact O-N 3.38Å; R95-I99 HydrophobicContact CG-CD1 4.03Å; R95-I99 WeakPolarHBondContact O-CD1 3.27Å; R95-I99 VanDerWaalsContact O-CG1 3.23Å; R95-I99 WeakPolarHBondContact O-CG1 2.89Å; R95-I99 PolarHBondContact O-N 3.05Å |
| 96 | M | 89.6 | Confident | 89.4 | Confident | 22 Ų | 22 | 103.9 Ų | 103.9 | 11% | 0.108 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68.8 | -35.7 | 179.4 | -158.2 | 76.3 | -153.8 | 0 | 0 | 112.1 | F81 F85 L88 Y89 N92 V93 K94 I99 H100 | F81-M96 HydrophobicContact CD1-CE 4.09Å; F81-M96 HydrophobicContact CE1-CE 3.08Å; F81-M96 HydrophobicContact CE1-CG 4.04Å; F81-M96 HydrophobicContact CE1-SD 4.36Å; F81-M96 HydrophobicContact CE2-CE 4.39Å; F81-M96 HydrophobicContact CZ-CE 3.27Å; F85-M96 HydrophobicContact CB-CE 4.22Å; F85-M96 HydrophobicContact CD2-CE 4.41Å; F85-M96 HydrophobicContact CG-CE 4.41Å; L88-M96 HydrophobicContact CB-SD 4.43Å; Y89-M96 HydrophobicContact CD2-CB 4Å; Y89-M96 HydrophobicContact CD2-CG 4.14Å; N92-M96 PolarHBondContact O-N 3.4Å; V93-M96 PolarHBondContact O-N 2.88Å; V93-M96 VanDerWaalsContact O-N 3.15Å; K94-M96 VanDerWaalsContact C-N 3.29Å; K94-M96 PolarHBondContact O-N 3.36Å; M96-I99 PolarHBondContact O-N 3.09Å; M96-H100 PolarHBondContact O-N 3.37Å |
| 97 | E | 89.9 | Confident | 89.9 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 174.2 | -166.6 | 172.7 | -178.5 | 0 | 0 | 111.7 | F78 V93 K94 R95 I99 H100 K101 | F78-E97 HydrophobicContact CE1-CB 4.41Å; F78-E97 HydrophobicContact CE1-CG 4.27Å; F78-E97 VanDerWaalsContact CE2-CA 3.48Å; F78-E97 HydrophobicContact CE2-CB 4.02Å; F78-E97 HydrophobicContact CE2-CG 4.28Å; F78-E97 HydrophobicContact CZ-CB 3.65Å; F78-E97 HydrophobicContact CZ-CG 3.91Å; V93-E97 PolarHBondContact O-N 2.96Å; K94-E97 WeakPolarHBondContact O-CB 3.46Å; K94-E97 PolarHBondContact O-N 2.71Å; R95-E97 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 3.1Å; E97-H100 PolarHBondContact O-N 3.4Å; E97-K101 WeakPolarHBondContact O-CB 3.33Å; E97-K101 PolarHBondContact O-N 3.46Å |
| 98 | E | 92.3 | Very high | 90.4 | Very high | 130 Ų | 130 | 96.2 Ų | 96.2 | 61% | 0.607 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | 173.5 | -70.3 | 165.4 | -175.3 | 0 | 0 | 112 | K94 R95 K101 H102 | K94-E98 WeakPolarHBondContact O-CG 3.37Å; K94-E98 PolarHBondContact O-N 2.96Å; R95-E98 PolarHBondContact O-N 3.38Å; E98-K101 PolarHBondContact O-N 3.17Å; E98-H102 WeakPolarHBondContact O-CB 3.31Å; E98-H102 PolarHBondContact O-N 3.13Å |
| 99 | I | 91.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 97 Ų | 97 | 44% | 0.441 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.4 | -70.1 | 164.9 | 0 | 0 | 0 | 111.1 | F81 R95 M96 E97 H102 F103 | F81-I99 HydrophobicContact CZ-CG2 4.48Å; R95-I99 HydrophobicContact CG-CD1 4.03Å; R95-I99 WeakPolarHBondContact O-CD1 3.27Å; R95-I99 VanDerWaalsContact O-CG1 3.23Å; R95-I99 WeakPolarHBondContact O-CG1 2.89Å; R95-I99 PolarHBondContact O-N 3.05Å; M96-I99 PolarHBondContact O-N 3.09Å; E97-I99 PolarHBondContact O-N 3.1Å; I99-H102 PolarHBondContact O-N 3.27Å; I99-F103 WeakPolarHBondContact O-CB 3.46Å; I99-F103 PolarHBondContact O-N 3.17Å |
| 100 | H | 92.8 | Very high | 91.9 | Very high | 19 Ų | 19 | 96.4 Ų | 96.4 | 9% | 0.088 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 179.9 | 177 | -100.6 | 0 | 0 | 0 | 112.1 | A76 F78 F81 M96 E97 F103 T104 | A76-H100 PolarHBondContact O-CE1 3.14Å; A76-H100 PolarHBondContact O-NE2 3.09Å; F78-H100 HydrophobicContact CD2-CB 3.61Å; F78-H100 AromaticContact CD2-CG 3.58Å; F78-H100 AromaticContact CD2-ND1 3.62Å; F78-H100 HydrophobicContact CE2-CB 3.93Å; F78-H100 PolarHBondContact N-CE1 2.89Å; F78-H100 VanDerWaalsContact N-CE1 3.3Å; F81-H100 HydrophobicContact CD1-CB 3.67Å; F81-H100 AromaticContact CD1-CD2 3.64Å; F81-H100 AromaticContact CD1-CG 3.88Å; F81-H100 AromaticContact CD2-CD2 3.94Å; F81-H100 HydrophobicContact CE1-CB 3.68Å; F81-H100 HydrophobicContact CG-CB 4.39Å; F81-H100 AromaticContact CG-CD2 3.46Å; F81-H100 VanDerWaalsContact CG-CD2 3.46Å; F81-H100 WeakPolarHBondContact CG-CD2 3.23Å; F81-H100 HydrophobicContact CZ-CB 4.46Å; M96-H100 PolarHBondContact O-N 3.37Å; E97-H100 PolarHBondContact O-N 3.4Å; H100-F103 PolarHBondContact O-N 3.25Å; H100-T104 PolarHBondContact CE1-OG1 3.33Å; H100-T104 PolarHBondContact NE2-OG1 2.82Å; H100-T104 WeakPolarHBondContact O-CB 3.19Å; H100-T104 PolarHBondContact O-N 3.02Å; H100-T104 PolarHBondContact O-OG1 3.46Å |
| 101 | K | 93.5 | Very high | 92.4 | Very high | 127 Ų | 127 | 90 Ų | 90 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.1 | -50.4 | 175 | -179.5 | 178.4 | 173.2 | -178.2 | 0 | 110.5 | E97 E98 F103 T104 E105 | E97-K101 WeakPolarHBondContact O-CB 3.33Å; E97-K101 PolarHBondContact O-N 3.46Å; E98-K101 PolarHBondContact O-N 3.17Å; K101-F103 PolarHBondContact O-N 3.43Å; K101-T104 PolarHBondContact O-N 3.41Å; K101-E105 WeakPolarHBondContact CE-OE1 3.26Å; K101-E105 WeakPolarHBondContact CG-OE1 3.24Å; K101-E105 IonicContact NZ-OE1 2.65Å; K101-E105 WeakPolarHBondContact O-CG 3.28Å; K101-E105 PolarHBondContact O-N 2.89Å |
| 102 | H | 94.8 | Very high | 92.9 | Very high | 112 Ų | 112 | 84.9 Ų | 84.9 | 52% | 0.519 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 179.1 | -173.7 | 58.9 | 0 | 0 | 0 | 112.5 | E98 I99 T104 E105 M106 | E98-H102 WeakPolarHBondContact O-CB 3.31Å; E98-H102 PolarHBondContact O-N 3.13Å; I99-H102 PolarHBondContact O-N 3.27Å; H102-T104 VanDerWaalsContact C-N 3.33Å; H102-T104 PolarHBondContact O-N 3.39Å; H102-E105 PolarHBondContact O-N 3.25Å; H102-M106 WeakPolarHBondContact O-CB 3.33Å; H102-M106 VanDerWaalsContact O-CG 3.26Å; H102-M106 WeakPolarHBondContact O-CG 3.47Å; H102-M106 PolarHBondContact O-N 2.91Å |
| 103 | F | 93.4 | Very high | 93.5 | Very high | 102 Ų | 102 | 85 Ų | 85 | 45% | 0.447 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.3 | 170.2 | -98.3 | 0 | 0 | 0 | 112 | I99 H100 K101 M106 L107 | I99-F103 WeakPolarHBondContact O-CB 3.46Å; I99-F103 PolarHBondContact O-N 3.17Å; H100-F103 PolarHBondContact O-N 3.25Å; K101-F103 PolarHBondContact O-N 3.43Å; F103-M106 PolarHBondContact O-N 3.45Å; F103-L107 HydrophobicContact CE1-CD2 4.04Å; F103-L107 HydrophobicContact CZ-CD2 4.08Å; F103-L107 VanDerWaalsContact O-CB 3.26Å; F103-L107 WeakPolarHBondContact O-CB 3.37Å; F103-L107 PolarHBondContact O-N 3.44Å |
| 104 | T | 94 | Very high | 93.9 | Very high | 20 Ų | 20 | 87.2 Ų | 87.2 | 12% | 0.123 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67 | -43.7 | -178.1 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | I73 H100 K101 H102 L107 Q108 | I73-T104 HydrophobicContact CD1-CG2 4.16Å; I73-T104 HydrophobicContact CG2-CG2 3.31Å; H100-T104 PolarHBondContact CE1-OG1 3.33Å; H100-T104 PolarHBondContact NE2-OG1 2.82Å; H100-T104 WeakPolarHBondContact O-CB 3.19Å; H100-T104 PolarHBondContact O-N 3.02Å; H100-T104 PolarHBondContact O-OG1 3.46Å; K101-T104 PolarHBondContact O-N 3.41Å; H102-T104 VanDerWaalsContact C-N 3.33Å; H102-T104 PolarHBondContact O-N 3.39Å; T104-L107 PolarHBondContact O-N 3.44Å; T104-Q108 VanDerWaalsContact O-CB 3.3Å; T104-Q108 WeakPolarHBondContact O-CB 3.28Å; T104-Q108 PolarHBondContact O-N 3.5Å |
| 105 | E | 95.1 | Very high | 94.3 | Very high | 99 Ų | 99 | 81.2 Ų | 81.2 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 175.6 | -72.3 | 171.2 | 178 | 0 | 0 | 111.4 | K101 H102 Q108 K109 | K101-E105 WeakPolarHBondContact CE-OE1 3.26Å; K101-E105 WeakPolarHBondContact CG-OE1 3.24Å; K101-E105 IonicContact NZ-OE1 2.65Å; K101-E105 WeakPolarHBondContact O-CG 3.28Å; K101-E105 PolarHBondContact O-N 2.89Å; H102-E105 PolarHBondContact O-N 3.25Å; E105-Q108 PolarHBondContact O-N 3.46Å; E105-K109 VanDerWaalsContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact O-CB 3.26Å; E105-K109 PolarHBondContact O-N 2.95Å |
| 106 | M | 96.3 | Very high | 94.7 | Very high | 99 Ų | 99 | 78.6 Ų | 78.6 | 49% | 0.488 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.2 | -76.6 | -60.9 | -51.9 | 0 | 0 | 112 | H102 F103 S110 | H102-M106 WeakPolarHBondContact O-CB 3.33Å; H102-M106 VanDerWaalsContact O-CG 3.26Å; H102-M106 WeakPolarHBondContact O-CG 3.47Å; H102-M106 PolarHBondContact O-N 2.91Å; F103-M106 PolarHBondContact O-N 3.45Å; M106-S110 VanDerWaalsContact O-CB 3.28Å; M106-S110 WeakPolarHBondContact O-CB 3.35Å; M106-S110 PolarHBondContact O-N 2.94Å |
| 107 | L | 95.1 | Very high | 95 | Very high | 49 Ų | 49 | 83.1 Ų | 83.1 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 178.1 | 179.7 | 61.5 | 0 | 0 | 0 | 111.4 | F72 I73 F103 T104 K109 S110 I111 | F72-L107 HydrophobicContact CE1-CD2 3.97Å; F72-L107 HydrophobicContact CE1-CG 4.48Å; I73-L107 HydrophobicContact CD1-CD2 4.29Å; I73-L107 HydrophobicContact CD1-CG 4.42Å; F103-L107 HydrophobicContact CE1-CD2 4.04Å; F103-L107 HydrophobicContact CZ-CD2 4.08Å; F103-L107 VanDerWaalsContact O-CB 3.26Å; F103-L107 WeakPolarHBondContact O-CB 3.37Å; F103-L107 PolarHBondContact O-N 3.44Å; T104-L107 PolarHBondContact O-N 3.44Å; L107-K109 PolarHBondContact O-N 3.46Å; L107-S110 PolarHBondContact O-N 2.98Å; L107-I111 HydrophobicContact CD1-CD1 3.8Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 2.92Å |
| 108 | Q | 95.9 | Very high | 95.4 | Very high | 54 Ų | 54 | 83 Ų | 83 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 178.5 | -175.6 | 178.5 | -9.1 | 0 | 0 | 111 | L69 I73 T104 E105 I111 Q112 | L69-Q108 HydrophobicContact CD2-CG 3.91Å; L69-Q108 HydrophobicContact CG-CG 4.28Å; I73-Q108 HydrophobicContact CD1-CB 4.05Å; I73-Q108 HydrophobicContact CG1-CB 4.27Å; I73-Q108 HydrophobicContact CG1-CG 4.4Å; T104-Q108 VanDerWaalsContact O-CB 3.3Å; T104-Q108 WeakPolarHBondContact O-CB 3.28Å; T104-Q108 PolarHBondContact O-N 3.5Å; E105-Q108 PolarHBondContact O-N 3.46Å; Q108-I111 PolarHBondContact O-N 3.03Å; Q108-Q112 WeakPolarHBondContact O-CG 3.33Å; Q108-Q112 PolarHBondContact O-N 3.47Å |
| 109 | K | 96.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 78.8 Ų | 78.8 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 179 | -179.3 | 175.3 | 172 | 178.5 | 0 | 111.7 | E105 L107 I111 Q112 E113 | E105-K109 VanDerWaalsContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact O-CB 3.26Å; E105-K109 PolarHBondContact O-N 2.95Å; L107-K109 PolarHBondContact O-N 3.46Å; K109-I111 VanDerWaalsContact C-N 3.33Å; K109-I111 PolarHBondContact O-N 3.01Å; K109-Q112 PolarHBondContact O-N 3.16Å; K109-E113 WeakPolarHBondContact CE-OE1 3.49Å; K109-E113 HydrophobicContact CG-CG 4.41Å; K109-E113 IonicContact NZ-OE1 2.82Å; K109-E113 WeakPolarHBondContact O-CG 3.39Å; K109-E113 PolarHBondContact O-N 3.13Å |
| 110 | S | 97.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 81.2 Ų | 81.2 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 178.2 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | M106 L107 E113 D114 | M106-S110 VanDerWaalsContact O-CB 3.28Å; M106-S110 WeakPolarHBondContact O-CB 3.35Å; M106-S110 PolarHBondContact O-N 2.94Å; L107-S110 PolarHBondContact O-N 2.98Å; S110-E113 PolarHBondContact O-N 3.19Å; S110-D114 WeakPolarHBondContact O-CB 3.19Å; S110-D114 PolarHBondContact O-N 3.46Å |
| 111 | I | 96.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 86.4 Ų | 86.4 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 178.1 | -66.4 | 166.7 | 0 | 0 | 0 | 111 | L69 F72 L107 Q108 K109 D114 I115 | L69-I111 HydrophobicContact CD1-CB 4.12Å; L69-I111 HydrophobicContact CD1-CD1 4.03Å; L69-I111 HydrophobicContact CD1-CG2 3.81Å; F72-I111 HydrophobicContact CD1-CD1 4.2Å; F72-I111 HydrophobicContact CE1-CD1 3.87Å; L107-I111 HydrophobicContact CD1-CD1 3.8Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 2.92Å; Q108-I111 PolarHBondContact O-N 3.03Å; K109-I111 VanDerWaalsContact C-N 3.33Å; K109-I111 PolarHBondContact O-N 3.01Å; I111-D114 PolarHBondContact O-N 3.4Å; I111-I115 HydrophobicContact CG2-CD1 3.62Å; I111-I115 HydrophobicContact CG2-CG1 4.31Å; I111-I115 WeakPolarHBondContact O-CB 3.32Å; I111-I115 WeakPolarHBondContact O-CD1 3.44Å; I111-I115 WeakPolarHBondContact O-CG1 3.22Å; I111-I115 PolarHBondContact O-N 2.65Å |
| 112 | Q | 96.6 | Very high | 96 | Very high | 59 Ų | 59 | 81 Ų | 81 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.2 | -75.5 | 176.5 | -30.9 | 0 | 0 | 112 | L69 Q108 K109 I115 M116 | L69-Q112 HydrophobicContact CD2-CG 3.38Å; Q108-Q112 WeakPolarHBondContact O-CG 3.33Å; Q108-Q112 PolarHBondContact O-N 3.47Å; K109-Q112 PolarHBondContact O-N 3.16Å; Q112-I115 PolarHBondContact O-N 3.14Å; Q112-M116 WeakPolarHBondContact O-CB 3.45Å; Q112-M116 WeakPolarHBondContact O-CG 3.49Å; Q112-M116 PolarHBondContact O-N 2.93Å |
| 113 | E | 97.2 | Very high | 96.1 | Very high | 102 Ų | 102 | 82.9 Ų | 82.9 | 48% | 0.477 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 176.5 | -72.9 | 173.7 | 174.8 | 0 | 0 | 111.3 | K109 S110 I115 M116 K117 | K109-E113 WeakPolarHBondContact CE-OE1 3.49Å; K109-E113 HydrophobicContact CG-CG 4.41Å; K109-E113 IonicContact NZ-OE1 2.82Å; K109-E113 WeakPolarHBondContact O-CG 3.39Å; K109-E113 PolarHBondContact O-N 3.13Å; S110-E113 PolarHBondContact O-N 3.19Å; E113-I115 PolarHBondContact O-N 3.01Å; E113-M116 PolarHBondContact O-N 2.89Å; E113-K117 WeakPolarHBondContact O-CB 3.45Å; E113-K117 PolarHBondContact O-N 3.04Å |
| 114 | D | 97.6 | Very high | 96.1 | Very high | 102 Ų | 102 | 80.7 Ų | 80.7 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 177.3 | -74.8 | -21.2 | 0 | 0 | 0 | 112.2 | S110 I111 K117 L118 | S110-D114 WeakPolarHBondContact O-CB 3.19Å; S110-D114 PolarHBondContact O-N 3.46Å; I111-D114 PolarHBondContact O-N 3.4Å; D114-K117 PolarHBondContact O-N 2.67Å; D114-L118 WeakPolarHBondContact O-CB 3.38Å; D114-L118 PolarHBondContact O-N 2.7Å |
| 115 | I | 96.1 | Very high | 96 | Very high | 39 Ų | 39 | 85.6 Ų | 85.6 | 20% | 0.2 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 175.9 | -72.8 | 168 | 0 | 0 | 0 | 110.7 | I65 I111 Q112 E113 K117 L118 M119 | I65-I115 HydrophobicContact CG2-CD1 3.7Å; I65-I115 HydrophobicContact CG2-CG2 3.97Å; I111-I115 HydrophobicContact CG2-CD1 3.62Å; I111-I115 HydrophobicContact CG2-CG1 4.31Å; I111-I115 WeakPolarHBondContact O-CB 3.32Å; I111-I115 WeakPolarHBondContact O-CD1 3.44Å; I111-I115 WeakPolarHBondContact O-CG1 3.22Å; I111-I115 PolarHBondContact O-N 2.65Å; Q112-I115 PolarHBondContact O-N 3.14Å; E113-I115 PolarHBondContact O-N 3.01Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 2.89Å; I115-L118 PolarHBondContact O-N 3.1Å; I115-M119 HydrophobicContact CG2-CG 4.44Å; I115-M119 HydrophobicContact CG2-SD 4.09Å; I115-M119 VanDerWaalsContact O-CG 3.29Å; I115-M119 WeakPolarHBondContact O-CG 3.42Å; I115-M119 PolarHBondContact O-N 3.42Å |
| 116 | M | 95.6 | Very high | 96 | Very high | 108 Ų | 108 | 84.5 Ų | 84.5 | 53% | 0.532 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 177.6 | -76.4 | 178.5 | 53.5 | 0 | 0 | 110.9 | Q112 E113 L118 M119 E120 | Q112-M116 WeakPolarHBondContact O-CB 3.45Å; Q112-M116 WeakPolarHBondContact O-CG 3.49Å; Q112-M116 PolarHBondContact O-N 2.93Å; E113-M116 PolarHBondContact O-N 2.89Å; M116-L118 PolarHBondContact O-N 3.45Å; M116-M119 WeakPolarHBondContact O-CB 3.5Å; M116-M119 PolarHBondContact O-N 3.11Å; M116-M119 VanDerWaalsContact O-N 3.15Å; M116-E120 WeakPolarHBondContact O-CG 3.29Å; M116-E120 PolarHBondContact O-N 3.43Å |
| 117 | K | 97.7 | Very high | 96 | Very high | 117 Ų | 117 | 85.2 Ų | 85.2 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.7 | -175.3 | 178.7 | 174.6 | -176.2 | 0 | 111.8 | E113 D114 I115 M119 E120 E121 | E113-K117 WeakPolarHBondContact O-CB 3.45Å; E113-K117 PolarHBondContact O-N 3.04Å; D114-K117 PolarHBondContact O-N 2.67Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 2.89Å; K117-M119 VanDerWaalsContact C-N 3.31Å; K117-M119 PolarHBondContact O-N 3.28Å; K117-E120 PolarHBondContact O-N 3.19Å; K117-E121 WeakPolarHBondContact CE-OE1 3.27Å; K117-E121 HydrophobicContact CG-CG 4.42Å; K117-E121 WeakPolarHBondContact O-CB 3.46Å; K117-E121 VanDerWaalsContact O-CG 3.32Å; K117-E121 WeakPolarHBondContact O-CG 3.29Å; K117-E121 PolarHBondContact O-N 3.42Å |
| 118 | L | 96.8 | Very high | 96 | Very high | 103 Ų | 103 | 85 Ų | 85 | 54% | 0.539 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 176.5 | -177.2 | 65 | 0 | 0 | 0 | 112.2 | D114 I115 M116 G122 | D114-L118 WeakPolarHBondContact O-CB 3.38Å; D114-L118 PolarHBondContact O-N 2.7Å; I115-L118 PolarHBondContact O-N 3.1Å; M116-L118 PolarHBondContact O-N 3.45Å; L118-G122 WeakPolarHBondContact O-CA 3.47Å; L118-G122 PolarHBondContact O-N 3.33Å |
| 119 | M | 95.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 84.7 Ų | 84.7 | 21% | 0.207 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.3 | -72.9 | 176.6 | 65.2 | 0 | 0 | 111.9 | L58 F61 I115 M116 K117 K123 F124 | L58-M119 HydrophobicContact CD1-CE 3.65Å; F61-M119 HydrophobicContact CD1-CE 4.22Å; F61-M119 HydrophobicContact CD1-SD 4.28Å; F61-M119 HydrophobicContact CE1-CE 4.15Å; F61-M119 HydrophobicContact CE1-CG 3.89Å; F61-M119 HydrophobicContact CE1-SD 3.67Å; I115-M119 HydrophobicContact CG2-CG 4.44Å; I115-M119 HydrophobicContact CG2-SD 4.09Å; I115-M119 VanDerWaalsContact O-CG 3.29Å; I115-M119 WeakPolarHBondContact O-CG 3.42Å; I115-M119 PolarHBondContact O-N 3.42Å; M116-M119 WeakPolarHBondContact O-CB 3.5Å; M116-M119 PolarHBondContact O-N 3.11Å; M116-M119 VanDerWaalsContact O-N 3.15Å; K117-M119 VanDerWaalsContact C-N 3.31Å; K117-M119 PolarHBondContact O-N 3.28Å; M119-K123 PolarHBondContact O-N 3.33Å; M119-F124 HydrophobicContact CB-CB 4.48Å; M119-F124 HydrophobicContact CG-CD2 4.15Å; M119-F124 PolarHBondContact O-N 3.47Å |
| 120 | E | 96 | Very high | 95.8 | Very high | 137 Ų | 137 | 84.5 Ų | 84.5 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66 | -51.8 | 176.8 | -71.9 | 173.8 | -169.9 | 0 | 0 | 111.2 | M116 K117 G122 K123 | M116-E120 WeakPolarHBondContact O-CG 3.29Å; M116-E120 PolarHBondContact O-N 3.43Å; K117-E120 PolarHBondContact O-N 3.19Å; E120-G122 VanDerWaalsContact C-N 3.32Å; E120-G122 PolarHBondContact O-N 2.63Å; E120-K123 PolarHBondContact O-N 3.24Å |
| 121 | E | 97.1 | Very high | 95.6 | Very high | 128 Ų | 128 | 86 Ų | 86 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.8 | -44.3 | 176.6 | -72.9 | 177.8 | -178.1 | 0 | 0 | 111.5 | K117 K123 | K117-E121 WeakPolarHBondContact CE-OE1 3.27Å; K117-E121 HydrophobicContact CG-CG 4.42Å; K117-E121 WeakPolarHBondContact O-CB 3.46Å; K117-E121 VanDerWaalsContact O-CG 3.32Å; K117-E121 WeakPolarHBondContact O-CG 3.29Å; K117-E121 PolarHBondContact O-N 3.42Å; E121-K123 PolarHBondContact O-N 3.13Å |
| 122 | G | 94.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 85.1 Ų | 85.1 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.6 | -13 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L118 E120 F124 K127 | L118-G122 WeakPolarHBondContact O-CA 3.47Å; L118-G122 PolarHBondContact O-N 3.33Å; E120-G122 VanDerWaalsContact C-N 3.32Å; E120-G122 PolarHBondContact O-N 2.63Å; G122-F124 VanDerWaalsContact C-N 3.29Å; G122-F124 PolarHBondContact O-N 3.35Å; G122-K127 WeakPolarHBondContact O-CD 3.43Å; G122-K127 VanDerWaalsContact O-CE 3.24Å; G122-K127 WeakPolarHBondContact O-CE 3.34Å; G122-K127 PolarHBondContact O-NZ 3.36Å |
| 123 | K | 96.4 | Very high | 95.2 | Very high | 150 Ų | 150 | 88.9 Ų | 88.9 | 65% | 0.652 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 44.9 | -173.6 | -58.3 | -179.7 | -179.4 | 179.1 | 0 | 112.5 | M119 E120 E121 E125 S126 K127 | M119-K123 PolarHBondContact O-N 3.33Å; E120-K123 PolarHBondContact O-N 3.24Å; E121-K123 PolarHBondContact O-N 3.13Å; K123-E125 VanDerWaalsContact C-N 3.34Å; K123-E125 PolarHBondContact O-N 2.93Å; K123-S126 PolarHBondContact O-N 3.27Å; K123-K127 PolarHBondContact O-N 2.95Å; K123-K127 VanDerWaalsContact O-N 3.11Å |
| 124 | F | 94.8 | Very high | 95 | Very high | 56 Ų | 56 | 88.4 Ų | 88.4 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | -169.6 | -83 | 22.5 | 0 | 0 | 0 | 112.8 | F61 M119 G122 S126 K127 F128 | F61-F124 HydrophobicContact CE1-CD2 4.2Å; F61-F124 HydrophobicContact CE2-CD2 4.3Å; F61-F124 HydrophobicContact CE2-CE2 4.04Å; F61-F124 AromaticContact CZ-CD2 3.97Å; F61-F124 HydrophobicContact CZ-CD2 3.97Å; F61-F124 AromaticContact CZ-CE2 3.84Å; F61-F124 HydrophobicContact CZ-CE2 3.84Å; M119-F124 HydrophobicContact CB-CB 4.48Å; M119-F124 HydrophobicContact CG-CD2 4.15Å; M119-F124 PolarHBondContact O-N 3.47Å; G122-F124 VanDerWaalsContact C-N 3.29Å; G122-F124 PolarHBondContact O-N 3.35Å; F124-S126 PolarHBondContact O-N 3.46Å; F124-K127 PolarHBondContact O-N 2.91Å; F124-F128 HydrophobicContact CB-CD2 4.16Å; F124-F128 HydrophobicContact CB-CE2 4.07Å; F124-F128 AromaticContact CD2-CE2 3.96Å; F124-F128 HydrophobicContact CD2-CE2 3.96Å; F124-F128 HydrophobicContact CD2-CZ 4.44Å; F124-F128 HydrophobicContact CG-CE2 4.28Å; F124-F128 WeakPolarHBondContact O-CB 3.36Å; F124-F128 VanDerWaalsContact O-CD2 3.27Å; F124-F128 WeakPolarHBondContact O-CD2 2.79Å; F124-F128 WeakPolarHBondContact O-CG 3.49Å; F124-F128 PolarHBondContact O-N 3.43Å |
| 125 | E | 92.2 | Very high | 94.6 | Very high | 124 Ų | 124 | 86.2 Ų | 86.2 | 58% | 0.579 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -57.7 | -50 | 176.7 | 177 | 170.5 | -162.4 | 0 | 0 | 111.7 | L58 K123 K127 N129 | L58-E125 HydrophobicContact CD2-CB 3.95Å; L58-E125 HydrophobicContact CD2-CG 3.86Å; K123-E125 VanDerWaalsContact C-N 3.34Å; K123-E125 PolarHBondContact O-N 2.93Å; E125-K127 PolarHBondContact O-N 3Å; E125-N129 VanDerWaalsContact O-CB 3.24Å; E125-N129 WeakPolarHBondContact O-CB 3.29Å; E125-N129 PolarHBondContact O-N 3.47Å; E125-N129 PolarHBondContact O-ND2 3.43Å; E125-N129 VanDerWaalsContact O-ND2 3.1Å |
| 126 | S | 93.8 | Very high | 94.4 | Very high | 76 Ų | 76 | 89.5 Ų | 89.5 | 53% | 0.531 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | K123 F124 N129 E130 | K123-S126 PolarHBondContact O-N 3.27Å; F124-S126 PolarHBondContact O-N 3.46Å; S126-N129 PolarHBondContact O-N 2.84Å; S126-E130 WeakPolarHBondContact O-CB 3.35Å; S126-E130 PolarHBondContact O-N 2.88Å |
| 127 | K | 96 | Very high | 94.1 | Very high | 114 Ų | 114 | 92.5 Ų | 92.5 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | -178.6 | -70.7 | 177.1 | 179 | 167.7 | 0 | 112.7 | G122 K123 F124 E125 E130 L131 | G122-K127 WeakPolarHBondContact O-CD 3.43Å; G122-K127 VanDerWaalsContact O-CE 3.24Å; G122-K127 WeakPolarHBondContact O-CE 3.34Å; G122-K127 PolarHBondContact O-NZ 3.36Å; K123-K127 PolarHBondContact O-N 2.95Å; K123-K127 VanDerWaalsContact O-N 3.11Å; F124-K127 PolarHBondContact O-N 2.91Å; E125-K127 PolarHBondContact O-N 3Å; K127-E130 PolarHBondContact O-N 2.91Å; K127-L131 WeakPolarHBondContact O-CB 3.43Å; K127-L131 VanDerWaalsContact O-CG 3.29Å; K127-L131 WeakPolarHBondContact O-CG 3.26Å; K127-L131 PolarHBondContact O-N 3.38Å |
| 128 | F | 95.3 | Very high | 93.8 | Very high | 44 Ų | 44 | 89.7 Ų | 89.7 | 19% | 0.193 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 177 | -75 | -43 | 0 | 0 | 0 | 111.7 | R57 L58 F61 F124 E130 L131 D132 | R57-F128 HydrophobicContact CB-CB 3.99Å; R57-F128 HydrophobicContact CB-CD1 3.74Å; R57-F128 HydrophobicContact CB-CE1 4.42Å; R57-F128 HydrophobicContact CB-CG 3.92Å; L58-F128 HydrophobicContact CB-CB 4.42Å; L58-F128 HydrophobicContact CB-CD2 4.17Å; L58-F128 HydrophobicContact CD1-CD2 4.02Å; F61-F128 HydrophobicContact CB-CE2 4.01Å; F61-F128 HydrophobicContact CB-CZ 4.41Å; F61-F128 HydrophobicContact CD2-CE2 4.23Å; F61-F128 HydrophobicContact CD2-CZ 4.21Å; F61-F128 HydrophobicContact CG-CE2 4.01Å; F61-F128 HydrophobicContact CG-CZ 4.4Å; F124-F128 HydrophobicContact CB-CD2 4.16Å; F124-F128 HydrophobicContact CB-CE2 4.07Å; F124-F128 AromaticContact CD2-CE2 3.96Å; F124-F128 HydrophobicContact CD2-CE2 3.96Å; F124-F128 HydrophobicContact CD2-CZ 4.44Å; F124-F128 HydrophobicContact CG-CE2 4.28Å; F124-F128 WeakPolarHBondContact O-CB 3.36Å; F124-F128 VanDerWaalsContact O-CD2 3.27Å; F124-F128 WeakPolarHBondContact O-CD2 2.79Å; F124-F128 WeakPolarHBondContact O-CG 3.49Å; F124-F128 PolarHBondContact O-N 3.43Å; F128-E130 VanDerWaalsContact C-N 3.3Å; F128-E130 PolarHBondContact O-N 3.46Å; F128-L131 HydrophobicContact CD1-CD1 4.35Å; F128-L131 PolarHBondContact O-N 3.33Å; F128-D132 WeakPolarHBondContact O-CB 3.24Å; F128-D132 VanDerWaalsContact O-CG 3.23Å; F128-D132 PolarHBondContact O-N 2.92Å |
| 129 | N | 92.9 | Very high | 93.4 | Very high | 47 Ų | 47 | 90.2 Ų | 90.2 | 25% | 0.251 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 175.5 | -70.8 | -24.2 | 0 | 0 | 0 | 112 | N56 E125 S126 K133 | N56-N129 PolarHBondContact ND2-OD1 3.43Å; E125-N129 VanDerWaalsContact O-CB 3.24Å; E125-N129 WeakPolarHBondContact O-CB 3.29Å; E125-N129 PolarHBondContact O-N 3.47Å; E125-N129 PolarHBondContact O-ND2 3.43Å; E125-N129 VanDerWaalsContact O-ND2 3.1Å; S126-N129 PolarHBondContact O-N 2.84Å; N129-K133 VanDerWaalsContact O-CG 3.26Å; N129-K133 WeakPolarHBondContact O-CG 3.35Å; N129-K133 PolarHBondContact O-N 2.9Å; N129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | E | 95.3 | Very high | 93.1 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 174.2 | -174.2 | 174.6 | -168.8 | 0 | 0 | 111.9 | S126 K127 F128 D132 K133 L134 | S126-E130 WeakPolarHBondContact O-CB 3.35Å; S126-E130 PolarHBondContact O-N 2.88Å; K127-E130 PolarHBondContact O-N 2.91Å; F128-E130 VanDerWaalsContact C-N 3.3Å; F128-E130 PolarHBondContact O-N 3.46Å; E130-D132 PolarHBondContact O-N 2.9Å; E130-K133 WeakPolarHBondContact O-CB 3.5Å; E130-K133 PolarHBondContact O-N 3.24Å; E130-L134 HydrophobicContact CG-CD1 4.17Å; E130-L134 HydrophobicContact CG-CG 4.44Å; E130-L134 WeakPolarHBondContact O-CG 3.5Å; E130-L134 PolarHBondContact O-N 2.86Å |
| 131 | L | 93.8 | Very high | 92.8 | Very high | 87 Ų | 87 | 93.3 Ų | 93.3 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 174.8 | -74.3 | 173.4 | 0 | 0 | 0 | 112.1 | K127 F128 K133 L134 E135 | K127-L131 WeakPolarHBondContact O-CB 3.43Å; K127-L131 VanDerWaalsContact O-CG 3.29Å; K127-L131 WeakPolarHBondContact O-CG 3.26Å; K127-L131 PolarHBondContact O-N 3.38Å; F128-L131 HydrophobicContact CD1-CD1 4.35Å; F128-L131 PolarHBondContact O-N 3.33Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.91Å; L131-L134 PolarHBondContact O-N 3.43Å; L131-E135 WeakPolarHBondContact O-CB 3.44Å; L131-E135 PolarHBondContact O-N 3.11Å |
| 132 | D | 92.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 93 Ų | 93 | 14% | 0.144 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 175 | -69.5 | -8.4 | 0 | 0 | 0 | 110.6 | R57 F128 E130 N136 | R57-D132 WeakPolarHBondContact CD-OD1 3.35Å; R57-D132 VanDerWaalsContact CG-OD1 3.22Å; R57-D132 WeakPolarHBondContact CG-OD1 3.15Å; R57-D132 IonicContact CZ-OD1 3.6Å; R57-D132 PolarHBondContact N-OD2 3.31Å; R57-D132 IonicContact NE-OD1 2.74Å; R57-D132 IonicContact NH1-OD1 3.21Å; R57-D132 PolarHBondContact NH1-OD1 3.34Å; F128-D132 WeakPolarHBondContact O-CB 3.24Å; F128-D132 VanDerWaalsContact O-CG 3.23Å; F128-D132 PolarHBondContact O-N 2.92Å; E130-D132 PolarHBondContact O-N 2.9Å; D132-N136 WeakPolarHBondContact O-CB 3.24Å; D132-N136 PolarHBondContact O-N 2.85Å; D132-N136 VanDerWaalsContact O-N 3.11Å; D132-N136 PolarHBondContact O-ND2 3.37Å; D132-N136 VanDerWaalsContact O-ND2 3.1Å |
| 133 | K | 92.6 | Very high | 92 | Very high | 138 Ų | 138 | 97.8 Ų | 97.8 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 175 | -71.4 | 168.5 | -174.1 | 177.1 | 0 | 112.5 | N129 E130 L131 N136 K137 | N129-K133 VanDerWaalsContact O-CG 3.26Å; N129-K133 WeakPolarHBondContact O-CG 3.35Å; N129-K133 PolarHBondContact O-N 2.9Å; N129-K133 VanDerWaalsContact O-N 3.11Å; E130-K133 WeakPolarHBondContact O-CB 3.5Å; E130-K133 PolarHBondContact O-N 3.24Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.91Å; K133-N136 PolarHBondContact O-N 2.97Å; K133-K137 WeakPolarHBondContact O-CG 3.44Å; K133-K137 PolarHBondContact O-N 3.5Å |
| 134 | L | 92.1 | Very high | 91.6 | Very high | 91 Ų | 91 | 96.5 Ų | 96.5 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | -179.6 | -72.2 | 172.6 | 0 | 0 | 0 | 111.6 | E130 L131 K137 A138 | E130-L134 HydrophobicContact CG-CD1 4.17Å; E130-L134 HydrophobicContact CG-CG 4.44Å; E130-L134 WeakPolarHBondContact O-CG 3.5Å; E130-L134 PolarHBondContact O-N 2.86Å; L131-L134 PolarHBondContact O-N 3.43Å; L134-K137 PolarHBondContact O-N 3.17Å; L134-A138 WeakPolarHBondContact O-CB 3.41Å; L134-A138 PolarHBondContact O-N 3.1Å |
| 135 | E | 90.5 | Very high | 91.3 | Very high | 57 Ų | 57 | 97 Ų | 97 | 27% | 0.266 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 174.5 | -178.2 | -175.8 | -173.5 | 0 | 0 | 111.1 | R54 R57 L131 K137 A138 K139 | R54-E135 IonicContact CZ-OE1 2.67Å; R54-E135 IonicContact NH1-OE1 2.7Å; R54-E135 PolarHBondContact NH1-OE1 2.9Å; R57-E135 IonicContact CZ-OE2 3.78Å; R57-E135 IonicContact NH1-OE2 2.65Å; R57-E135 PolarHBondContact NH1-OE2 3.29Å; R57-E135 IonicContact NH2-OE1 3.57Å; R57-E135 IonicContact NH2-OE2 3.83Å; R57-E135 PolarHBondContact NH2-OE2 3.42Å; L131-E135 WeakPolarHBondContact O-CB 3.44Å; L131-E135 PolarHBondContact O-N 3.11Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 3.47Å; E135-A138 CarbonylContact O-C 3.58Å; E135-A138 PolarHBondContact O-N 3.05Å; E135-A138 VanDerWaalsContact O-N 3.13Å; E135-K139 PolarHBondContact O-N 3.11Å |
| 136 | N | 90.3 | Very high | 91.2 | Very high | 107 Ų | 107 | 98.5 Ų | 98.5 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 179.1 | -72.9 | -26.7 | 0 | 0 | 0 | 112.2 | D132 K133 A138 K139 | D132-N136 WeakPolarHBondContact O-CB 3.24Å; D132-N136 PolarHBondContact O-N 2.85Å; D132-N136 VanDerWaalsContact O-N 3.11Å; D132-N136 PolarHBondContact O-ND2 3.37Å; D132-N136 VanDerWaalsContact O-ND2 3.1Å; K133-N136 PolarHBondContact O-N 2.97Å; N136-A138 VanDerWaalsContact C-N 3.3Å; N136-A138 PolarHBondContact O-N 3.44Å; N136-K139 WeakPolarHBondContact O-CB 3.32Å; N136-K139 PolarHBondContact O-N 3.36Å |
| 137 | K | 90.9 | Very high | 91 | Very high | 172 Ų | 172 | 103.2 Ų | 103.2 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.2 | -29.3 | 175.4 | -72.6 | 178.9 | -174.1 | -175.5 | 0 | 113.3 | K133 L134 E135 | K133-K137 WeakPolarHBondContact O-CG 3.44Å; K133-K137 PolarHBondContact O-N 3.5Å; L134-K137 PolarHBondContact O-N 3.17Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 3.47Å |
| 138 | A | 89.8 | Confident | 90.9 | Very high | 57 Ų | 57 | 101.9 Ų | 101.9 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -91.8 | -5.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L134 E135 N136 D140 N141 | L134-A138 WeakPolarHBondContact O-CB 3.41Å; L134-A138 PolarHBondContact O-N 3.1Å; E135-A138 CarbonylContact O-C 3.58Å; E135-A138 PolarHBondContact O-N 3.05Å; E135-A138 VanDerWaalsContact O-N 3.13Å; N136-A138 VanDerWaalsContact C-N 3.3Å; N136-A138 PolarHBondContact O-N 3.44Å; A138-D140 PolarHBondContact O-N 3.07Å; A138-D140 VanDerWaalsContact O-N 3.16Å; A138-N141 PolarHBondContact O-N 2.89Å |
| 139 | K | 88.1 | Confident | 90.7 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34.5 | -171.6 | -168.2 | 176 | -179 | -179.2 | 0 | 113.4 | T51 E135 N136 | T51-K139 PolarHBondContact OG1-NZ 3.19Å; E135-K139 PolarHBondContact O-N 3.11Å; N136-K139 WeakPolarHBondContact O-CB 3.32Å; N136-K139 PolarHBondContact O-N 3.36Å |
| 140 | D | 89.3 | Confident | 90.8 | Very high | 149 Ų | 149 | 103.6 Ų | 103.6 | 80% | 0.797 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 2.9 | -177.3 | -55 | -40.7 | 0 | 0 | 0 | 113.2 | A138 P142 | A138-D140 PolarHBondContact O-N 3.07Å; A138-D140 VanDerWaalsContact O-N 3.16Å; D140-P142 WeakPolarHBondContact O-CD 3.38Å |
| 141 | N | 89.4 | Confident | 90.9 | Very high | 95 Ų | 95 | 101.5 Ų | 101.5 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | trans | -90.4 | 112 | 178.4 | -166.9 | -25.7 | 0 | 0 | 0 | 109.9 | A138 D143 | A138-N141 PolarHBondContact O-N 2.89Å; N141-D143 VanDerWaalsContact C-N 3.26Å; N141-D143 PolarHBondContact O-N 3.39Å; N141-D143 WeakPolarHBondContact OD1-CB 3.41Å; N141-D143 PolarHBondContact OD1-N 3.49Å | ||
| 142 | P | 86.5 | Confident | 90.9 | Very high | 121 Ų | 121 | 101.1 Ų | 101.1 | 79% | 0.786 | 56% | 0.556 | S | S | * | * | trans | -76.6 | -14.9 | -179.4 | 33.1 | -36.3 | 0 | 0 | 0 | 112.9 | D140 | D140-P142 WeakPolarHBondContact O-CD 3.38Š| ||
| 143 | D | 89.6 | Confident | 91 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -74.1 | 141.4 | -175.2 | -65.6 | -35.7 | 0 | 0 | 0 | 111.1 | N141 A145 | N141-D143 VanDerWaalsContact C-N 3.26Å; N141-D143 PolarHBondContact O-N 3.39Å; N141-D143 WeakPolarHBondContact OD1-CB 3.41Å; N141-D143 PolarHBondContact OD1-N 3.49Å; D143-A145 PolarHBondContact O-N 3.21Å |
| 144 | P | 87.9 | Confident | 91.1 | Very high | 123 Ų | 123 | 105.3 Ų | 105.3 | 80% | 0.799 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.7 | 174.3 | 25.5 | -32.8 | 0 | 0 | 0 | 109.9 | W146 | P144-W146 PolarHBondContact O-N 3.35Š|
| 145 | A | 88.6 | Confident | 91.3 | Very high | 67 Ų | 67 | 102.3 Ų | 102.3 | 55% | 0.554 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D143 R147 | D143-A145 PolarHBondContact O-N 3.21Å; A145-R147 PolarHBondContact O-NH1 2.86Å; A145-R147 VanDerWaalsContact O-NH1 3.17Å |
| 146 | W | 89.1 | Confident | 91.4 | Very high | 155 Ų | 155 | 104.3 Ų | 104.3 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 142.2 | 178.5 | -178.2 | 87.5 | 0 | 0 | 0 | 111.6 | P144 P148 D155 | P144-W146 PolarHBondContact O-N 3.35Å; W146-P148 HydrophobicContact CH2-CB 4.03Å; W146-P148 HydrophobicContact CH2-CG 3.76Å; W146-P148 HydrophobicContact CZ3-CB 4.48Å; W146-P148 HydrophobicContact CZ3-CG 3.75Å; W146-D155 HydrophobicContact CH2-CB 4.35Å; W146-D155 HydrophobicContact CZ2-CB 3.91Å |
| 147 | R | 90.8 | Very high | 91.6 | Very high | 175 Ų | 175 | 102.6 Ų | 102.6 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | trans | -132.4 | 141.9 | 173.6 | -63.9 | -66.8 | -178.6 | -86 | -2.9 | 107.7 | A145 S149 | A145-R147 PolarHBondContact O-NH1 2.86Å; A145-R147 VanDerWaalsContact O-NH1 3.17Å; R147-S149 PolarHBondContact O-N 3.41Å | ||
| 148 | P | 92.6 | Very high | 91.6 | Very high | 87 Ų | 87 | 97.6 Ų | 97.6 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | trans | -53.1 | 129.7 | 171.9 | -23.6 | 32.5 | 0 | 0 | 0 | 110.1 | W146 G150 D155 | W146-P148 HydrophobicContact CH2-CB 4.03Å; W146-P148 HydrophobicContact CH2-CG 3.76Å; W146-P148 HydrophobicContact CZ3-CB 4.48Å; W146-P148 HydrophobicContact CZ3-CG 3.75Å; P148-G150 PolarHBondContact O-N 3.28Å; P148-D155 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 149 | S | 92.5 | Very high | 91.7 | Very high | 60 Ų | 60 | 101.5 Ų | 101.5 | 42% | 0.42 | 56% | 0.561 | S | S | . | * | trans | -69.1 | -19.9 | 179.1 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | R147 V151 D155 | R147-S149 PolarHBondContact O-N 3.41Å; S149-V151 VanDerWaalsContact C-N 3.29Å; S149-V151 PolarHBondContact OG-N 3.41Å; S149-V151 VanDerWaalsContact OG-N 3.13Å; S149-V151 PolarHBondContact OG-O 3.23Å; S149-D155 VanDerWaalsContact CB-OD1 3.29Å; S149-D155 WeakPolarHBondContact CB-OD1 3.4Å; S149-D155 PolarHBondContact N-OD1 2.85Å; S149-D155 PolarHBondContact N-OD2 3.43Å; S149-D155 VanDerWaalsContact OG-CG 3.3Å; S149-D155 PolarHBondContact OG-OD1 2.88Å | ||
| 150 | G | 94.8 | Very high | 92.1 | Very high | 66 Ų | 66 | 98.8 Ų | 98.8 | 68% | 0.68 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 87.5 | -1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P148 | P148-G150 PolarHBondContact O-N 3.28Š|
| 151 | V | 96.6 | Very high | 92.4 | Very high | 68 Ų | 68 | 96 Ų | 96 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | trans | -111.7 | 101.8 | 174.4 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | S149 E153 Q154 D155 | S149-V151 VanDerWaalsContact C-N 3.29Å; S149-V151 PolarHBondContact OG-N 3.41Å; S149-V151 VanDerWaalsContact OG-N 3.13Å; S149-V151 PolarHBondContact OG-O 3.23Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.11Å; V151-Q154 HydrophobicContact CB-CB 4.16Å; V151-Q154 HydrophobicContact CG1-CB 4.18Å; V151-Q154 PolarHBondContact O-N 3.38Å; V151-Q154 VanDerWaalsContact O-N 3.07Å; V151-D155 PolarHBondContact O-N 3.05Å; V151-D155 VanDerWaalsContact O-N 3.11Å | ||
| 152 | P | 94.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 95 Ų | 95 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.7 | -38.4 | -173.4 | -27.6 | 35.7 | 0 | 0 | 0 | 113.8 | Q154 D155 I156 | P152-Q154 VanDerWaalsContact C-N 3.32Å; P152-Q154 PolarHBondContact O-N 3.43Å; P152-D155 PolarHBondContact O-N 3.01Å; P152-I156 WeakPolarHBondContact O-CB 3.27Å; P152-I156 VanDerWaalsContact O-CG1 3.25Å; P152-I156 WeakPolarHBondContact O-CG1 3.41Å; P152-I156 PolarHBondContact O-N 3.15Å |
| 153 | E | 95.2 | Very high | 93.2 | Very high | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 179.5 | -63.9 | 76.8 | -170.7 | 0 | 0 | 111.1 | V151 C157 | V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.11Å; E153-C157 VanDerWaalsContact O-CB 3.27Å; E153-C157 WeakPolarHBondContact O-CB 3.37Å; E153-C157 PolarHBondContact O-N 3.29Å; E153-C157 PolarHBondContact O-SG 2.95Å |
| 154 | Q | 94.3 | Very high | 93.6 | Very high | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69 | -42.8 | 179.2 | -175.5 | 171.2 | 8.7 | 0 | 0 | 111.6 | V151 P152 C157 S158 | V151-Q154 HydrophobicContact CB-CB 4.16Å; V151-Q154 HydrophobicContact CG1-CB 4.18Å; V151-Q154 PolarHBondContact O-N 3.38Å; V151-Q154 VanDerWaalsContact O-N 3.07Å; P152-Q154 VanDerWaalsContact C-N 3.32Å; P152-Q154 PolarHBondContact O-N 3.43Å; Q154-C157 PolarHBondContact O-N 3Å; Q154-S158 WeakPolarHBondContact O-CB 3.31Å; Q154-S158 PolarHBondContact O-N 2.95Å |
| 155 | D | 95.1 | Very high | 94.1 | Very high | 28 Ų | 28 | 96.9 Ų | 96.9 | 15% | 0.15 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | -179.3 | -67 | -17.5 | 0 | 0 | 0 | 111.1 | W146 P148 S149 V151 P152 S158 F159 | W146-D155 HydrophobicContact CH2-CB 4.35Å; W146-D155 HydrophobicContact CZ2-CB 3.91Å; P148-D155 WeakPolarHBondContact CA-OD2 3.36Å; S149-D155 VanDerWaalsContact CB-OD1 3.29Å; S149-D155 WeakPolarHBondContact CB-OD1 3.4Å; S149-D155 PolarHBondContact N-OD1 2.85Å; S149-D155 PolarHBondContact N-OD2 3.43Å; S149-D155 VanDerWaalsContact OG-CG 3.3Å; S149-D155 PolarHBondContact OG-OD1 2.88Å; V151-D155 PolarHBondContact O-N 3.05Å; V151-D155 VanDerWaalsContact O-N 3.11Å; P152-D155 PolarHBondContact O-N 3.01Å; D155-S158 PolarHBondContact O-N 3.28Å; D155-F159 PolarHBondContact O-N 2.95Å |
| 156 | I | 93.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 101.5 Ų | 101.5 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 175.4 | -67.8 | 168 | 0 | 0 | 0 | 110.8 | P152 S158 F159 L160 | P152-I156 WeakPolarHBondContact O-CB 3.27Å; P152-I156 VanDerWaalsContact O-CG1 3.25Å; P152-I156 WeakPolarHBondContact O-CG1 3.41Å; P152-I156 PolarHBondContact O-N 3.15Å; I156-S158 VanDerWaalsContact C-N 3.31Å; I156-S158 PolarHBondContact O-N 2.95Å; I156-F159 PolarHBondContact O-N 3.39Å; I156-F159 VanDerWaalsContact O-N 3.16Å; I156-L160 HydrophobicContact CG2-CD1 3.65Å; I156-L160 HydrophobicContact CG2-CG 4.18Å; I156-L160 WeakPolarHBondContact O-CG 3.25Å; I156-L160 PolarHBondContact O-N 2.91Å |
| 157 | C | 93.1 | Very high | 94.9 | Very high | 71 Ų | 71 | 99.3 Ų | 99.3 | 48% | 0.48 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 177.8 | -78.9 | 0 | 0 | 0 | 0 | 111.7 | E153 Q154 F159 L160 M161 | E153-C157 VanDerWaalsContact O-CB 3.27Å; E153-C157 WeakPolarHBondContact O-CB 3.37Å; E153-C157 PolarHBondContact O-N 3.29Å; E153-C157 PolarHBondContact O-SG 2.95Å; Q154-C157 PolarHBondContact O-N 3Å; C157-F159 VanDerWaalsContact C-N 3.29Å; C157-F159 PolarHBondContact O-N 3.16Å; C157-L160 PolarHBondContact O-N 2.94Å; C157-M161 WeakPolarHBondContact O-CB 3.41Å; C157-M161 PolarHBondContact O-N 3.22Å |
| 158 | S | 91.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 95.8 Ų | 95.8 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | Q154 D155 I156 | Q154-S158 WeakPolarHBondContact O-CB 3.31Å; Q154-S158 PolarHBondContact O-N 2.95Å; D155-S158 PolarHBondContact O-N 3.28Å; I156-S158 VanDerWaalsContact C-N 3.31Å; I156-S158 PolarHBondContact O-N 2.95Å |
| 159 | F | 92 | Very high | 95.6 | Very high | 138 Ų | 138 | 94.6 Ų | 94.6 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70 | -39.7 | 177.9 | 176.2 | -101.9 | 0 | 0 | 0 | 112.7 | D155 I156 C157 P162 Y163 | D155-F159 PolarHBondContact O-N 2.95Å; I156-F159 PolarHBondContact O-N 3.39Å; I156-F159 VanDerWaalsContact O-N 3.16Å; C157-F159 VanDerWaalsContact C-N 3.29Å; C157-F159 PolarHBondContact O-N 3.16Å; F159-P162 WeakPolarHBondContact O-CD 3.41Å; F159-Y163 HydrophobicContact CE1-CE2 4.44Å; F159-Y163 HydrophobicContact CZ-CE2 4.35Å |
| 160 | L | 95.8 | Very high | 95.8 | Very high | 57 Ų | 57 | 99 Ų | 99 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.6 | -24.7 | -176.2 | -66.8 | 178.3 | 0 | 0 | 0 | 113.9 | I156 C157 P162 Y163 Y164 | I156-L160 HydrophobicContact CG2-CD1 3.65Å; I156-L160 HydrophobicContact CG2-CG 4.18Å; I156-L160 WeakPolarHBondContact O-CG 3.25Å; I156-L160 PolarHBondContact O-N 2.91Å; C157-L160 PolarHBondContact O-N 2.94Å; L160-P162 VanDerWaalsContact C-CD 3.45Å; L160-Y163 WeakPolarHBondContact O-CB 2.98Å; L160-Y163 PolarHBondContact O-N 2.65Å; L160-Y164 HydrophobicContact CB-CD2 4.12Å; L160-Y164 HydrophobicContact CB-CE2 3.81Å; L160-Y164 HydrophobicContact CD1-CE2 4.27Å; L160-Y164 PolarHBondContact O-N 3.26Å |
| 161 | M | 96 | Very high | 96 | Very high | 90 Ų | 90 | 101.4 Ų | 101.4 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -51.8 | -45.1 | -174 | -162.5 | 61.8 | 60.7 | 0 | 0 | 114.2 | C157 Y163 Y164 Q165 | C157-M161 WeakPolarHBondContact O-CB 3.41Å; C157-M161 PolarHBondContact O-N 3.22Å; M161-Y163 VanDerWaalsContact C-N 3.26Å; M161-Y163 PolarHBondContact O-N 3.25Å; M161-Y164 PolarHBondContact O-N 3.27Å; M161-Q165 HydrophobicContact CG-CG 4.33Å; M161-Q165 VanDerWaalsContact O-CG 3.31Å; M161-Q165 WeakPolarHBondContact O-CG 3.12Å; M161-Q165 PolarHBondContact O-N 3.32Å |
| 162 | P | 96.3 | Very high | 96.1 | Very high | 76 Ų | 76 | 103.2 Ų | 103.2 | 49% | 0.494 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -33.4 | 179.9 | -23.3 | 35.5 | 0 | 0 | 0 | 113.3 | F159 L160 K166 | F159-P162 WeakPolarHBondContact O-CD 3.41Å; L160-P162 VanDerWaalsContact C-CD 3.45Å; P162-K166 PolarHBondContact O-N 3.09Å; P162-K166 VanDerWaalsContact O-N 3.09Å |
| 163 | Y | 96.9 | Very high | 96.3 | Very high | 149 Ų | 149 | 105.3 Ų | 105.3 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.4 | -45.2 | 177.9 | -65.9 | -87.1 | 0 | 0 | 0 | 111.4 | F159 L160 M161 K166 Q167 | F159-Y163 HydrophobicContact CE1-CE2 4.44Å; F159-Y163 HydrophobicContact CZ-CE2 4.35Å; L160-Y163 WeakPolarHBondContact O-CB 2.98Å; L160-Y163 PolarHBondContact O-N 2.65Å; M161-Y163 VanDerWaalsContact C-N 3.26Å; M161-Y163 PolarHBondContact O-N 3.25Å; Y163-K166 PolarHBondContact O-N 3.42Å; Y163-Q167 PolarHBondContact O-N 2.83Å |
| 164 | Y | 97.1 | Very high | 96.5 | Very high | 138 Ų | 138 | 102 Ų | 102 | 54% | 0.541 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.7 | -69.6 | -51 | 0 | 0 | 0 | 112.3 | L160 M161 K166 Q167 E168 | L160-Y164 HydrophobicContact CB-CD2 4.12Å; L160-Y164 HydrophobicContact CB-CE2 3.81Å; L160-Y164 HydrophobicContact CD1-CE2 4.27Å; L160-Y164 PolarHBondContact O-N 3.26Å; M161-Y164 PolarHBondContact O-N 3.27Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.46Å; Y164-Q167 PolarHBondContact O-N 3.28Å; Y164-E168 WeakPolarHBondContact O-CB 3.34Å; Y164-E168 PolarHBondContact O-N 3.28Å |
| 165 | Q | 98.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 100.9 Ų | 100.9 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 173.6 | -73.5 | 174.1 | -12.1 | 0 | 0 | 111.7 | M161 E168 A169 | M161-Q165 HydrophobicContact CG-CG 4.33Å; M161-Q165 VanDerWaalsContact O-CG 3.31Å; M161-Q165 WeakPolarHBondContact O-CG 3.12Å; M161-Q165 PolarHBondContact O-N 3.32Å; Q165-E168 PolarHBondContact O-N 3.04Å; Q165-A169 WeakPolarHBondContact O-CB 3.36Å; Q165-A169 PolarHBondContact O-N 2.96Å |
| 166 | K | 97.8 | Very high | 96.8 | Very high | 165 Ų | 165 | 106.4 Ų | 106.4 | 72% | 0.717 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 175.4 | -174.3 | 177.2 | -179.8 | 178.8 | 0 | 111.9 | P162 Y163 Y164 A169 Y170 | P162-K166 PolarHBondContact O-N 3.09Å; P162-K166 VanDerWaalsContact O-N 3.09Å; Y163-K166 PolarHBondContact O-N 3.42Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.46Å; K166-A169 PolarHBondContact O-N 3.47Å; K166-Y170 PolarHBondContact O-N 2.99Å; K166-Y170 VanDerWaalsContact O-N 3.08Å |
| 167 | Q | 98.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 107.4 Ų | 107.4 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.3 | -176.7 | 178 | -7.5 | 0 | 0 | 111.6 | Y163 Y164 A169 Y170 M171 | Y163-Q167 PolarHBondContact O-N 2.83Å; Y164-Q167 PolarHBondContact O-N 3.28Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.3Å; Q167-Y170 PolarHBondContact O-N 3.08Å; Q167-M171 HydrophobicContact CG-SD 4.46Å; Q167-M171 WeakPolarHBondContact O-CG 3.47Å; Q167-M171 PolarHBondContact O-N 3.44Å |
| 168 | E | 98.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 107.1 Ų | 107.1 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 177.7 | -170.1 | -165.9 | -173.8 | 0 | 0 | 111.2 | Y164 Q165 Y170 M171 K172 | Y164-E168 WeakPolarHBondContact O-CB 3.34Å; Y164-E168 PolarHBondContact O-N 3.28Å; Q165-E168 PolarHBondContact O-N 3.04Å; E168-Y170 VanDerWaalsContact C-N 3.33Å; E168-Y170 PolarHBondContact O-N 3.17Å; E168-M171 PolarHBondContact O-N 3.47Å; E168-K172 HydrophobicContact CG-CD 4.28Å; E168-K172 WeakPolarHBondContact O-CB 3.4Å; E168-K172 WeakPolarHBondContact O-CG 3.39Å; E168-K172 PolarHBondContact O-N 3.47Å; E168-K172 WeakPolarHBondContact OE1-CE 3.34Å; E168-K172 IonicContact OE1-NZ 3.69Å; E168-K172 PolarHBondContact OE1-NZ 3.39Å; E168-K172 IonicContact OE2-NZ 2.71Å |
| 169 | A | 98.4 | Very high | 97.7 | Very high | 61 Ų | 61 | 109.3 Ų | 109.3 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q165 K166 Q167 K172 L173 | Q165-A169 WeakPolarHBondContact O-CB 3.36Å; Q165-A169 PolarHBondContact O-N 2.96Å; K166-A169 PolarHBondContact O-N 3.47Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.3Å; A169-K172 PolarHBondContact O-N 3.43Å; A169-L173 PolarHBondContact O-N 2.93Å; A169-L173 VanDerWaalsContact O-N 3.17Å |
| 170 | Y | 98.5 | Very high | 98 | Very high | 153 Ų | 153 | 105.8 Ų | 105.8 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -48.8 | 175.6 | 172 | -100.6 | 0 | 0 | 0 | 112.1 | K166 Q167 E168 K172 L173 E174 | K166-Y170 PolarHBondContact O-N 2.99Å; K166-Y170 VanDerWaalsContact O-N 3.08Å; Q167-Y170 PolarHBondContact O-N 3.08Å; E168-Y170 VanDerWaalsContact C-N 3.33Å; E168-Y170 PolarHBondContact O-N 3.17Å; Y170-K172 VanDerWaalsContact C-N 3.3Å; Y170-K172 PolarHBondContact O-N 3.19Å; Y170-L173 WeakPolarHBondContact O-CB 3.44Å; Y170-L173 PolarHBondContact O-N 3.03Å; Y170-L173 VanDerWaalsContact O-N 3.1Å; Y170-E174 PolarHBondContact O-N 3.36Å |
| 171 | M | 98.8 | Very high | 98.1 | Very high | 116 Ų | 116 | 107.7 Ų | 107.7 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | -180 | -69.9 | -167.8 | 76.1 | 0 | 0 | 112.3 | Q167 E168 L173 E174 L175 | Q167-M171 HydrophobicContact CG-SD 4.46Å; Q167-M171 WeakPolarHBondContact O-CG 3.47Å; Q167-M171 PolarHBondContact O-N 3.44Å; E168-M171 PolarHBondContact O-N 3.47Å; M171-L173 VanDerWaalsContact C-N 3.3Å; M171-L173 PolarHBondContact O-N 3.45Å; M171-E174 PolarHBondContact O-N 2.9Å; M171-L175 VanDerWaalsContact O-CB 3.28Å; M171-L175 WeakPolarHBondContact O-CB 3.42Å; M171-L175 PolarHBondContact O-N 3.3Å |
| 172 | K | 98.6 | Very high | 98.2 | Very high | 107 Ų | 107 | 107.8 Ų | 107.8 | 47% | 0.465 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 174.4 | -77.1 | 174.4 | -180 | 167 | 0 | 111.9 | E168 A169 Y170 K176 | E168-K172 HydrophobicContact CG-CD 4.28Å; E168-K172 WeakPolarHBondContact O-CB 3.4Å; E168-K172 WeakPolarHBondContact O-CG 3.39Å; E168-K172 PolarHBondContact O-N 3.47Å; E168-K172 WeakPolarHBondContact OE1-CE 3.34Å; E168-K172 IonicContact OE1-NZ 3.69Å; E168-K172 PolarHBondContact OE1-NZ 3.39Å; E168-K172 IonicContact OE2-NZ 2.71Å; A169-K172 PolarHBondContact O-N 3.43Å; Y170-K172 VanDerWaalsContact C-N 3.3Å; Y170-K172 PolarHBondContact O-N 3.19Å; K172-K176 WeakPolarHBondContact O-CG 3.27Å; K172-K176 PolarHBondContact O-N 3.01Å |
| 173 | L | 98.6 | Very high | 98.4 | Very high | 123 Ų | 123 | 106.7 Ų | 106.7 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -47.3 | 177.4 | -175 | 65.7 | 0 | 0 | 0 | 111.2 | A169 Y170 M171 L175 K176 R177 | A169-L173 PolarHBondContact O-N 2.93Å; A169-L173 VanDerWaalsContact O-N 3.17Å; Y170-L173 WeakPolarHBondContact O-CB 3.44Å; Y170-L173 PolarHBondContact O-N 3.03Å; Y170-L173 VanDerWaalsContact O-N 3.1Å; M171-L173 VanDerWaalsContact C-N 3.3Å; M171-L173 PolarHBondContact O-N 3.45Å; L173-L175 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 2.96Å; L173-R177 PolarHBondContact O-N 3.1Å |
| 174 | E | 98.7 | Very high | 98.4 | Very high | 61 Ų | 61 | 101.8 Ų | 101.8 | 29% | 0.285 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | -179.1 | -171.4 | 55.5 | -150 | 0 | 0 | 111.9 | Y170 M171 K176 R177 I178 | Y170-E174 PolarHBondContact O-N 3.36Å; M171-E174 PolarHBondContact O-N 2.9Å; E174-K176 VanDerWaalsContact C-N 3.35Å; E174-K176 PolarHBondContact O-N 3.48Å; E174-R177 WeakPolarHBondContact O-CB 3.28Å; E174-R177 PolarHBondContact O-N 2.94Å; E174-R177 IonicContact OE1-CZ 3.42Å; E174-R177 IonicContact OE1-NE 3.8Å; E174-R177 PolarHBondContact OE1-NE 3.28Å; E174-R177 IonicContact OE1-NH2 2.76Å; E174-R177 PolarHBondContact OE1-NH2 3.07Å; E174-R177 IonicContact OE2-NE 3.97Å; E174-R177 PolarHBondContact OE2-NE 3.47Å; E174-I178 HydrophobicContact CG-CD1 4.17Å; E174-I178 WeakPolarHBondContact O-CG1 3.43Å; E174-I178 PolarHBondContact O-N 3.42Å |
| 175 | L | 98.8 | Very high | 98.5 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.1 | -177.1 | 63.2 | 0 | 0 | 0 | 111.7 | M171 L173 R177 I178 Q179 | M171-L175 VanDerWaalsContact O-CB 3.28Å; M171-L175 WeakPolarHBondContact O-CB 3.42Å; M171-L175 PolarHBondContact O-N 3.3Å; L173-L175 PolarHBondContact O-N 3.49Å; L175-R177 VanDerWaalsContact C-N 3.3Å; L175-R177 PolarHBondContact O-N 3.34Å; L175-I178 PolarHBondContact O-N 3.36Å; L175-Q179 HydrophobicContact CD1-CG 4.41Å; L175-Q179 HydrophobicContact CG-CG 4.49Å; L175-Q179 WeakPolarHBondContact O-CB 3.42Å; L175-Q179 VanDerWaalsContact O-CG 3.27Å; L175-Q179 WeakPolarHBondContact O-CG 3.46Å; L175-Q179 PolarHBondContact O-N 3.43Å |
| 176 | K | 98.6 | Very high | 98.5 | Very high | 144 Ų | 144 | 95.9 Ų | 95.9 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 175.8 | -76.3 | 177.9 | 179.6 | -176.7 | 0 | 111.7 | K172 L173 E174 Q179 A180 | K172-K176 WeakPolarHBondContact O-CG 3.27Å; K172-K176 PolarHBondContact O-N 3.01Å; L173-K176 PolarHBondContact O-N 2.96Å; E174-K176 VanDerWaalsContact C-N 3.35Å; E174-K176 PolarHBondContact O-N 3.48Å; K176-Q179 PolarHBondContact O-N 3.47Å; K176-A180 WeakPolarHBondContact O-CB 3.38Å; K176-A180 PolarHBondContact O-N 3.06Å |
| 177 | R | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 94.8 Ų | 94.8 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.5 | -50.9 | 177.4 | -168.2 | -163.6 | 69.7 | 69.4 | 2.6 | 111 | L173 E174 L175 Q179 A180 E181 | L173-R177 PolarHBondContact O-N 3.1Å; E174-R177 WeakPolarHBondContact O-CB 3.28Å; E174-R177 PolarHBondContact O-N 2.94Å; E174-R177 IonicContact OE1-CZ 3.42Å; E174-R177 IonicContact OE1-NE 3.8Å; E174-R177 PolarHBondContact OE1-NE 3.28Å; E174-R177 IonicContact OE1-NH2 2.76Å; E174-R177 PolarHBondContact OE1-NH2 3.07Å; E174-R177 IonicContact OE2-NE 3.97Å; E174-R177 PolarHBondContact OE2-NE 3.47Å; L175-R177 VanDerWaalsContact C-N 3.3Å; L175-R177 PolarHBondContact O-N 3.34Å; R177-Q179 PolarHBondContact O-N 2.74Å; R177-A180 PolarHBondContact O-N 3.04Å; R177-E181 IonicContact CZ-OE2 3.2Å; R177-E181 IonicContact NH1-OE2 3.79Å; R177-E181 PolarHBondContact NH1-OE2 3.14Å; R177-E181 PolarHBondContact O-N 2.92Å |
| 178 | I | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 97.8 Ų | 97.8 | 34% | 0.338 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | -180 | -67.1 | 169.7 | 0 | 0 | 0 | 111.1 | E174 L175 A180 E181 N182 | E174-I178 HydrophobicContact CG-CD1 4.17Å; E174-I178 WeakPolarHBondContact O-CG1 3.43Å; E174-I178 PolarHBondContact O-N 3.42Å; L175-I178 PolarHBondContact O-N 3.36Å; I178-A180 PolarHBondContact O-N 3.42Å; I178-E181 PolarHBondContact O-N 3Å; I178-N182 VanDerWaalsContact O-CB 3.32Å; I178-N182 WeakPolarHBondContact O-CB 3.32Å; I178-N182 VanDerWaalsContact O-CG 3.29Å; I178-N182 PolarHBondContact O-N 3.38Å |
| 179 | Q | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.7 | -76.1 | 174.5 | -15.1 | 0 | 0 | 112.1 | L175 K176 R177 N182 A183 | L175-Q179 HydrophobicContact CD1-CG 4.41Å; L175-Q179 HydrophobicContact CG-CG 4.49Å; L175-Q179 WeakPolarHBondContact O-CB 3.42Å; L175-Q179 VanDerWaalsContact O-CG 3.27Å; L175-Q179 WeakPolarHBondContact O-CG 3.46Å; L175-Q179 PolarHBondContact O-N 3.43Å; K176-Q179 PolarHBondContact O-N 3.47Å; R177-Q179 PolarHBondContact O-N 2.74Å; Q179-N182 PolarHBondContact O-N 2.82Å; Q179-A183 WeakPolarHBondContact O-CB 3.49Å; Q179-A183 PolarHBondContact O-N 3.19Å |
| 180 | A | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 98.4 Ų | 98.4 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K176 R177 I178 A183 A184 | K176-A180 WeakPolarHBondContact O-CB 3.38Å; K176-A180 PolarHBondContact O-N 3.06Å; R177-A180 PolarHBondContact O-N 3.04Å; I178-A180 PolarHBondContact O-N 3.42Å; A180-A183 PolarHBondContact O-N 3.36Å; A180-A184 PolarHBondContact O-N 2.86Å |
| 181 | E | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 93.8 Ų | 93.8 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.2 | -173.2 | 177.2 | 177.7 | 0 | 0 | 111.8 | R177 I178 A183 A184 L185 | R177-E181 IonicContact CZ-OE2 3.2Å; R177-E181 IonicContact NH1-OE2 3.79Å; R177-E181 PolarHBondContact NH1-OE2 3.14Å; R177-E181 PolarHBondContact O-N 2.92Å; I178-E181 PolarHBondContact O-N 3Å; E181-A183 VanDerWaalsContact C-N 3.35Å; E181-A183 PolarHBondContact O-N 2.88Å; E181-A184 PolarHBondContact O-N 3.37Å; E181-L185 HydrophobicContact CG-CD1 4.1Å; E181-L185 WeakPolarHBondContact O-CB 3.49Å; E181-L185 WeakPolarHBondContact O-CG 3.35Å; E181-L185 PolarHBondContact O-N 2.97Å |
| 182 | N | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 89.8 Ų | 89.8 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 177 | -76.7 | -14.7 | 0 | 0 | 0 | 112.3 | I178 Q179 L185 A186 | I178-N182 VanDerWaalsContact O-CB 3.32Å; I178-N182 WeakPolarHBondContact O-CB 3.32Å; I178-N182 VanDerWaalsContact O-CG 3.29Å; I178-N182 PolarHBondContact O-N 3.38Å; Q179-N182 PolarHBondContact O-N 2.82Å; N182-L185 PolarHBondContact O-N 3.47Å; N182-A186 WeakPolarHBondContact O-CB 3.36Å; N182-A186 PolarHBondContact O-N 2.89Å |
| 183 | A | 98.6 | Very high | 98.6 | Very high | 52 Ų | 52 | 92.6 Ų | 92.6 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q179 A180 E181 L185 A186 E187 | Q179-A183 WeakPolarHBondContact O-CB 3.49Å; Q179-A183 PolarHBondContact O-N 3.19Å; A180-A183 PolarHBondContact O-N 3.36Å; E181-A183 VanDerWaalsContact C-N 3.35Å; E181-A183 PolarHBondContact O-N 2.88Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 3.34Å; A183-A186 PolarHBondContact O-N 3.2Å; A183-A186 VanDerWaalsContact O-N 3.14Å; A183-E187 WeakPolarHBondContact O-CG 3.42Å; A183-E187 PolarHBondContact O-N 2.89Å |
| 184 | A | 98.4 | Very high | 98.6 | Very high | 46 Ų | 46 | 91.3 Ų | 91.3 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.5 | -35.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A180 E181 R188 | A180-A184 PolarHBondContact O-N 2.86Å; E181-A184 PolarHBondContact O-N 3.37Å; A184-R188 WeakPolarHBondContact O-CG 3.4Å; A184-R188 PolarHBondContact O-N 3.49Å |
| 185 | L | 98.7 | Very high | 98.6 | Very high | 65 Ų | 65 | 91.5 Ų | 91.5 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 173 | -79.3 | 165.1 | 0 | 0 | 0 | 111.9 | E181 N182 A183 E187 R188 V189 | E181-L185 HydrophobicContact CG-CD1 4.1Å; E181-L185 WeakPolarHBondContact O-CB 3.49Å; E181-L185 WeakPolarHBondContact O-CG 3.35Å; E181-L185 PolarHBondContact O-N 2.97Å; N182-L185 PolarHBondContact O-N 3.47Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 3.34Å; L185-E187 PolarHBondContact O-N 2.99Å; L185-R188 PolarHBondContact O-N 3.1Å; L185-V189 WeakPolarHBondContact O-CG2 3.46Å; L185-V189 PolarHBondContact O-N 2.92Å |
| 186 | A | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 91.5 Ų | 91.5 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N182 A183 R188 V189 Q190 | N182-A186 WeakPolarHBondContact O-CB 3.36Å; N182-A186 PolarHBondContact O-N 2.89Å; A183-A186 PolarHBondContact O-N 3.2Å; A183-A186 VanDerWaalsContact O-N 3.14Å; A186-R188 PolarHBondContact O-N 3.35Å; A186-V189 PolarHBondContact O-N 2.76Å; A186-Q190 WeakPolarHBondContact O-CB 3.48Å; A186-Q190 PolarHBondContact O-N 3.49Å |
| 187 | E | 98.6 | Very high | 98.6 | Very high | 143 Ų | 143 | 87.1 Ų | 87.1 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.6 | -45.7 | 174.4 | -72.8 | -178.8 | 166.1 | 0 | 0 | 111.8 | A183 L185 V189 Q190 A191 | A183-E187 WeakPolarHBondContact O-CG 3.42Å; A183-E187 PolarHBondContact O-N 2.89Å; L185-E187 PolarHBondContact O-N 2.99Å; E187-V189 PolarHBondContact O-N 3.25Å; E187-Q190 PolarHBondContact O-N 2.94Å; E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 3.26Å |
| 188 | R | 98.5 | Very high | 98.6 | Very high | 170 Ų | 170 | 87.5 Ų | 87.5 | 64% | 0.642 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 176.8 | -75.5 | -169.7 | -69.1 | 163.5 | -9 | 112.8 | A184 L185 A186 Q190 G192 | A184-R188 WeakPolarHBondContact O-CG 3.4Å; A184-R188 PolarHBondContact O-N 3.49Å; L185-R188 PolarHBondContact O-N 3.1Å; A186-R188 PolarHBondContact O-N 3.35Å; R188-Q190 VanDerWaalsContact C-N 3.34Å; R188-G192 PolarHBondContact O-N 3.31Å |
| 189 | V | 98.8 | Very high | 98.5 | Very high | 77 Ų | 77 | 87.2 Ų | 87.2 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 176.2 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | L185 A186 E187 G192 R193 | L185-V189 WeakPolarHBondContact O-CG2 3.46Å; L185-V189 PolarHBondContact O-N 2.92Å; A186-V189 PolarHBondContact O-N 2.76Å; E187-V189 PolarHBondContact O-N 3.25Å; V189-G192 PolarHBondContact O-N 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.43Å |
| 190 | Q | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 87.8 Ų | 87.8 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 179.5 | -176.6 | 56.9 | 29.6 | 0 | 0 | 111.6 | A186 E187 R188 G192 R193 E194 | A186-Q190 WeakPolarHBondContact O-CB 3.48Å; A186-Q190 PolarHBondContact O-N 3.49Å; E187-Q190 PolarHBondContact O-N 2.94Å; R188-Q190 VanDerWaalsContact C-N 3.34Å; Q190-G192 VanDerWaalsContact C-N 3.26Å; Q190-G192 PolarHBondContact O-N 3.45Å; Q190-R193 WeakPolarHBondContact O-CB 3.47Å; Q190-R193 PolarHBondContact O-N 2.94Å; Q190-R193 VanDerWaalsContact O-N 3.1Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.35Å; Q190-E194 PolarHBondContact NE2-OE1 3.33Å; Q190-E194 WeakPolarHBondContact O-CG 3.46Å; Q190-E194 PolarHBondContact O-N 2.96Å |
| 191 | A | 98.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 91 Ų | 91 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E187 E194 S195 | E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 3.26Å; A191-E194 PolarHBondContact O-N 2.92Å; A191-S195 PolarHBondContact O-N 3.49Å |
| 192 | G | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 95 Ų | 95 | 33% | 0.33 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R188 V189 Q190 E194 S195 I196 | R188-G192 PolarHBondContact O-N 3.31Å; V189-G192 PolarHBondContact O-N 3.29Å; Q190-G192 VanDerWaalsContact C-N 3.26Å; Q190-G192 PolarHBondContact O-N 3.45Å; G192-E194 PolarHBondContact O-N 3.3Å; G192-S195 PolarHBondContact O-N 3.48Å; G192-I196 WeakPolarHBondContact O-CG1 3.39Å; G192-I196 PolarHBondContact O-N 3.49Å |
| 193 | R | 98.6 | Very high | 98.5 | Very high | 166 Ų | 166 | 95.4 Ų | 95.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 176.7 | -72.5 | 173.4 | -176.6 | -85.2 | 0 | 112 | V189 Q190 I196 A197 | V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.43Å; Q190-R193 WeakPolarHBondContact O-CB 3.47Å; Q190-R193 PolarHBondContact O-N 2.94Å; Q190-R193 VanDerWaalsContact O-N 3.1Å; R193-I196 PolarHBondContact O-N 3.36Å; R193-A197 WeakPolarHBondContact O-CB 3.28Å; R193-A197 PolarHBondContact O-N 2.94Å |
| 194 | E | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 95.9 Ų | 95.9 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 177.5 | -72.4 | 167.2 | -165.5 | 0 | 0 | 111.9 | Q190 A191 G192 I196 A197 Q198 | Q190-E194 WeakPolarHBondContact CG-OE1 3.35Å; Q190-E194 PolarHBondContact NE2-OE1 3.33Å; Q190-E194 WeakPolarHBondContact O-CG 3.46Å; Q190-E194 PolarHBondContact O-N 2.96Å; A191-E194 PolarHBondContact O-N 2.92Å; G192-E194 PolarHBondContact O-N 3.3Å; E194-I196 PolarHBondContact O-N 2.94Å; E194-A197 PolarHBondContact O-N 3.37Å; E194-Q198 VanDerWaalsContact O-CG 3.28Å; E194-Q198 WeakPolarHBondContact O-CG 3.36Å; E194-Q198 PolarHBondContact O-N 3.06Å |
| 195 | S | 98.5 | Very high | 98.4 | Very high | 66 Ų | 66 | 96.2 Ų | 96.2 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | A191 G192 Q198 T199 | A191-S195 PolarHBondContact O-N 3.49Å; G192-S195 PolarHBondContact O-N 3.48Å; S195-Q198 PolarHBondContact O-N 3.04Å; S195-T199 WeakPolarHBondContact O-CB 3.41Å; S195-T199 PolarHBondContact O-N 3.44Å; S195-T199 PolarHBondContact O-OG1 3.34Å |
| 196 | I | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 96.5 Ų | 96.5 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 174.8 | -68.8 | 167.3 | 0 | 0 | 0 | 110.1 | G192 R193 E194 Q198 T199 E200 | G192-I196 WeakPolarHBondContact O-CG1 3.39Å; G192-I196 PolarHBondContact O-N 3.49Å; R193-I196 PolarHBondContact O-N 3.36Å; E194-I196 PolarHBondContact O-N 2.94Å; I196-Q198 VanDerWaalsContact C-N 3.3Å; I196-Q198 PolarHBondContact O-N 3.44Å; I196-T199 WeakPolarHBondContact O-CB 3.43Å; I196-T199 PolarHBondContact O-N 2.97Å; I196-E200 HydrophobicContact CG2-CG 4.18Å; I196-E200 WeakPolarHBondContact O-CG 3.34Å; I196-E200 PolarHBondContact O-N 3.11Å |
| 197 | A | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 96.5 Ų | 96.5 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R193 E194 H201 | R193-A197 WeakPolarHBondContact O-CB 3.28Å; R193-A197 PolarHBondContact O-N 2.94Å; E194-A197 PolarHBondContact O-N 3.37Å; A197-H201 WeakPolarHBondContact O-CB 3.49Å; A197-H201 PolarHBondContact O-N 3.05Å |
| 198 | Q | 98.3 | Very high | 98.2 | Very high | 127 Ų | 127 | 93.5 Ų | 93.5 | 59% | 0.593 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 174.1 | -72.5 | 173.3 | 22 | 0 | 0 | 111.9 | E194 S195 I196 H201 R202 | E194-Q198 VanDerWaalsContact O-CG 3.28Å; E194-Q198 WeakPolarHBondContact O-CG 3.36Å; E194-Q198 PolarHBondContact O-N 3.06Å; S195-Q198 PolarHBondContact O-N 3.04Å; I196-Q198 VanDerWaalsContact C-N 3.3Å; I196-Q198 PolarHBondContact O-N 3.44Å; Q198-H201 PolarHBondContact O-N 3.39Å; Q198-R202 WeakPolarHBondContact O-CG 3.45Å; Q198-R202 PolarHBondContact O-N 3.04Å |
| 199 | T | 98.3 | Very high | 98.1 | Very high | 61 Ų | 61 | 91 Ų | 91 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | S195 I196 H201 R202 I203 | S195-T199 WeakPolarHBondContact O-CB 3.41Å; S195-T199 PolarHBondContact O-N 3.44Å; S195-T199 PolarHBondContact O-OG1 3.34Å; I196-T199 WeakPolarHBondContact O-CB 3.43Å; I196-T199 PolarHBondContact O-N 2.97Å; T199-H201 VanDerWaalsContact C-N 3.32Å; T199-H201 PolarHBondContact O-N 2.94Å; T199-R202 PolarHBondContact O-N 3Å; T199-I203 HydrophobicContact CG2-CD1 4.01Å; T199-I203 WeakPolarHBondContact O-CG1 3.25Å; T199-I203 PolarHBondContact O-N 3.24Å |
| 200 | E | 98.3 | Very high | 98 | Very high | 125 Ų | 125 | 95.9 Ų | 95.9 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.1 | -44.3 | 174.6 | -73.9 | 178.2 | 168.9 | 0 | 0 | 111.4 | I196 I203 S204 | I196-E200 HydrophobicContact CG2-CG 4.18Å; I196-E200 WeakPolarHBondContact O-CG 3.34Å; I196-E200 PolarHBondContact O-N 3.11Å; E200-I203 PolarHBondContact O-N 3.29Å; E200-S204 PolarHBondContact O-N 3.17Å |
| 201 | H | 98.3 | Very high | 97.8 | Very high | 130 Ų | 130 | 96 Ų | 96 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -48.8 | 176.7 | -175.5 | 58.3 | 0 | 0 | 0 | 111.9 | A197 Q198 T199 I203 S204 T205 | A197-H201 WeakPolarHBondContact O-CB 3.49Å; A197-H201 PolarHBondContact O-N 3.05Å; Q198-H201 PolarHBondContact O-N 3.39Å; T199-H201 VanDerWaalsContact C-N 3.32Å; T199-H201 PolarHBondContact O-N 2.94Å; H201-I203 VanDerWaalsContact C-N 3.33Å; H201-I203 PolarHBondContact O-N 2.82Å; H201-S204 PolarHBondContact O-N 3.33Å; H201-S204 VanDerWaalsContact O-N 3.17Å; H201-T205 PolarHBondContact O-N 2.84Å; H201-T205 PolarHBondContact O-OG1 2.92Å; H201-T205 VanDerWaalsContact O-OG1 3.11Å |
| 202 | R | 98.2 | Very high | 97.6 | Very high | 182 Ų | 182 | 98.8 Ų | 98.8 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -43.4 | 177.2 | -71.7 | 173.3 | 65.6 | -155.7 | -0.3 | 112.1 | Q198 T199 T205 S206 | Q198-R202 WeakPolarHBondContact O-CG 3.45Å; Q198-R202 PolarHBondContact O-N 3.04Å; T199-R202 PolarHBondContact O-N 3Å; R202-T205 PolarHBondContact O-N 2.88Å; R202-S206 PolarHBondContact O-N 2.96Å; R202-S206 PolarHBondContact O-OG 2.92Å; R202-S206 VanDerWaalsContact O-OG 3.1Å |
| 203 | I | 98.1 | Very high | 97.4 | Very high | 101 Ų | 101 | 101 Ų | 101 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.8 | -69.2 | 167.6 | 0 | 0 | 0 | 110.1 | T199 E200 H201 T205 S206 V207 | T199-I203 HydrophobicContact CG2-CD1 4.01Å; T199-I203 WeakPolarHBondContact O-CG1 3.25Å; T199-I203 PolarHBondContact O-N 3.24Å; E200-I203 PolarHBondContact O-N 3.29Å; H201-I203 VanDerWaalsContact C-N 3.33Å; H201-I203 PolarHBondContact O-N 2.82Å; I203-T205 PolarHBondContact O-N 3.33Å; I203-S206 PolarHBondContact O-N 3.1Å; I203-V207 HydrophobicContact CG2-CG2 4.28Å; I203-V207 WeakPolarHBondContact O-CB 3.32Å; I203-V207 VanDerWaalsContact O-CG2 3.25Å; I203-V207 WeakPolarHBondContact O-CG2 3.38Å; I203-V207 PolarHBondContact O-N 2.92Å |
| 204 | S | 97.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 179.2 | -161.9 | 0 | 0 | 0 | 0 | 111.7 | E200 H201 V207 D208 | E200-S204 PolarHBondContact O-N 3.17Å; H201-S204 PolarHBondContact O-N 3.33Å; H201-S204 VanDerWaalsContact O-N 3.17Å; S204-V207 PolarHBondContact O-N 3.35Å; S204-D208 VanDerWaalsContact O-CG 3.31Å; S204-D208 PolarHBondContact O-N 3Å |
| 205 | T | 97.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 98.6 Ų | 98.6 | 33% | 0.325 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | H201 R202 I203 V207 D208 E209 | H201-T205 PolarHBondContact O-N 2.84Å; H201-T205 PolarHBondContact O-OG1 2.92Å; H201-T205 VanDerWaalsContact O-OG1 3.11Å; R202-T205 PolarHBondContact O-N 2.88Å; I203-T205 PolarHBondContact O-N 3.33Å; T205-V207 VanDerWaalsContact C-N 3.28Å; T205-V207 PolarHBondContact O-N 3.46Å; T205-D208 PolarHBondContact O-N 3.21Å; T205-D208 VanDerWaalsContact O-N 3.17Å; T205-E209 HydrophobicContact CG2-CG 4.47Å; T205-E209 WeakPolarHBondContact O-CG 3.32Å; T205-E209 PolarHBondContact O-N 3.45Å |
| 206 | S | 97.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 101.3 Ų | 101.3 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 177.6 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | R202 I203 W210 | R202-S206 PolarHBondContact O-N 2.96Å; R202-S206 PolarHBondContact O-OG 2.92Å; R202-S206 VanDerWaalsContact O-OG 3.1Å; I203-S206 PolarHBondContact O-N 3.1Å; S206-W210 WeakPolarHBondContact O-CB 3.42Å; S206-W210 PolarHBondContact O-N 3.01Å |
| 207 | V | 97.6 | Very high | 96 | Very high | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.37 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 176.5 | 165.9 | 0 | 0 | 0 | 0 | 110.9 | I203 S204 T205 W210 K211 | I203-V207 HydrophobicContact CG2-CG2 4.28Å; I203-V207 WeakPolarHBondContact O-CB 3.32Å; I203-V207 VanDerWaalsContact O-CG2 3.25Å; I203-V207 WeakPolarHBondContact O-CG2 3.38Å; I203-V207 PolarHBondContact O-N 2.92Å; S204-V207 PolarHBondContact O-N 3.35Å; T205-V207 VanDerWaalsContact C-N 3.28Å; T205-V207 PolarHBondContact O-N 3.46Å; V207-W210 PolarHBondContact O-N 2.99Å; V207-K211 HydrophobicContact CG1-CD 4.36Å; V207-K211 WeakPolarHBondContact O-CG 3.47Å; V207-K211 PolarHBondContact O-N 3.45Å |
| 208 | D | 96.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 99 Ų | 99 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.4 | -39.5 | 179.6 | -67.6 | -26.4 | 0 | 0 | 0 | 111.9 | S204 T205 K211 L212 | S204-D208 VanDerWaalsContact O-CG 3.31Å; S204-D208 PolarHBondContact O-N 3Å; T205-D208 PolarHBondContact O-N 3.21Å; T205-D208 VanDerWaalsContact O-N 3.17Å; D208-K211 PolarHBondContact O-N 3.36Å; D208-K211 IonicContact OD1-NZ 3.14Å; D208-K211 PolarHBondContact OD1-NZ 3.41Å; D208-L212 WeakPolarHBondContact O-CB 3.35Å; D208-L212 PolarHBondContact O-N 2.93Å |
| 209 | E | 96.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 96.5 Ų | 96.5 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.4 | -46.8 | 170.4 | -74.1 | 176.4 | -174.9 | 0 | 0 | 111.5 | T205 K211 L212 C213 | T205-E209 HydrophobicContact CG2-CG 4.47Å; T205-E209 WeakPolarHBondContact O-CG 3.32Å; T205-E209 PolarHBondContact O-N 3.45Å; E209-K211 PolarHBondContact O-N 3.2Å; E209-L212 PolarHBondContact O-N 3.46Å; E209-C213 PolarHBondContact O-N 3.17Å; E209-C213 PolarHBondContact O-SG 3.44Å; E209-C213 VanDerWaalsContact O-SG 3.41Å |
| 210 | W | 95.8 | Very high | 94.8 | Very high | 179 Ų | 179 | 96 Ų | 96 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 178.2 | 179.5 | 77.1 | 0 | 0 | 0 | 112.3 | S206 V207 L212 C213 H214 | S206-W210 WeakPolarHBondContact O-CB 3.42Å; S206-W210 PolarHBondContact O-N 3.01Å; V207-W210 PolarHBondContact O-N 2.99Å; W210-L212 VanDerWaalsContact C-N 3.32Å; W210-L212 PolarHBondContact O-N 2.98Å; W210-C213 PolarHBondContact O-N 2.9Å; W210-H214 WeakPolarHBondContact O-CB 3.41Å; W210-H214 PolarHBondContact O-N 2.91Å |
| 211 | K | 95.6 | Very high | 94.3 | Very high | 103 Ų | 103 | 95.9 Ų | 95.9 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 174.9 | -72.2 | 170.1 | -170 | 159.4 | 0 | 111.8 | V207 D208 E209 H214 L215 | V207-K211 HydrophobicContact CG1-CD 4.36Å; V207-K211 WeakPolarHBondContact O-CG 3.47Å; V207-K211 PolarHBondContact O-N 3.45Å; D208-K211 PolarHBondContact O-N 3.36Å; D208-K211 IonicContact OD1-NZ 3.14Å; D208-K211 PolarHBondContact OD1-NZ 3.41Å; E209-K211 PolarHBondContact O-N 3.2Å; K211-H214 PolarHBondContact O-N 3.42Å; K211-L215 WeakPolarHBondContact O-CG 3.37Å; K211-L215 PolarHBondContact O-N 3.31Å |
| 212 | L | 95.1 | Very high | 93.8 | Very high | 112 Ų | 112 | 96.7 Ų | 96.7 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.5 | -45.4 | -179.2 | -165 | 145.1 | 0 | 0 | 0 | 111.5 | D208 E209 W210 H214 L215 Q216 | D208-L212 WeakPolarHBondContact O-CB 3.35Å; D208-L212 PolarHBondContact O-N 2.93Å; E209-L212 PolarHBondContact O-N 3.46Å; W210-L212 VanDerWaalsContact C-N 3.32Å; W210-L212 PolarHBondContact O-N 2.98Å; L212-H214 VanDerWaalsContact C-N 3.3Å; L212-H214 PolarHBondContact O-N 2.92Å; L212-L215 PolarHBondContact O-N 3.36Å; L212-Q216 WeakPolarHBondContact O-CB 3.35Å; L212-Q216 PolarHBondContact O-N 2.92Å |
| 213 | C | 92.4 | Very high | 93.2 | Very high | 79 Ų | 79 | 93.6 Ų | 93.6 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 172.3 | -72.4 | 0 | 0 | 0 | 0 | 112 | E209 W210 Q216 A217 | E209-C213 PolarHBondContact O-N 3.17Å; E209-C213 PolarHBondContact O-SG 3.44Å; E209-C213 VanDerWaalsContact O-SG 3.41Å; W210-C213 PolarHBondContact O-N 2.9Å; C213-Q216 PolarHBondContact O-N 3.5Å; C213-A217 WeakPolarHBondContact O-CB 3.23Å; C213-A217 PolarHBondContact O-N 2.93Å |
| 214 | H | 93.9 | Very high | 92.7 | Very high | 103 Ų | 103 | 98.1 Ų | 98.1 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 177.4 | -178.3 | 66.4 | 0 | 0 | 0 | 112.4 | W210 K211 L212 Q216 A217 T218 | W210-H214 WeakPolarHBondContact O-CB 3.41Å; W210-H214 PolarHBondContact O-N 2.91Å; K211-H214 PolarHBondContact O-N 3.42Å; L212-H214 VanDerWaalsContact C-N 3.3Å; L212-H214 PolarHBondContact O-N 2.92Å; H214-Q216 VanDerWaalsContact C-N 3.35Å; H214-Q216 PolarHBondContact O-N 3.41Å; H214-A217 PolarHBondContact O-N 3.47Å; H214-T218 WeakPolarHBondContact O-CG2 3.46Å; H214-T218 PolarHBondContact O-N 2.86Å; H214-T218 PolarHBondContact O-OG1 2.94Å |
| 215 | L | 93.8 | Very high | 92 | Very high | 109 Ų | 109 | 100.4 Ų | 100.4 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 174.6 | -75.9 | 167.3 | 0 | 0 | 0 | 111.5 | K211 L212 T218 V219 | K211-L215 WeakPolarHBondContact O-CG 3.37Å; K211-L215 PolarHBondContact O-N 3.31Å; L212-L215 PolarHBondContact O-N 3.36Å; L215-T218 WeakPolarHBondContact CA-OG1 3.35Å; L215-T218 PolarHBondContact O-N 2.92Å; L215-T218 PolarHBondContact O-OG1 3.34Å; L215-V219 WeakPolarHBondContact O-CB 3.39Å; L215-V219 VanDerWaalsContact O-CG2 3.23Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 3.43Å |
| 216 | Q | 90.6 | Very high | 91.3 | Very high | 122 Ų | 122 | 99.9 Ų | 99.9 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 176.9 | -173.3 | 175 | 0.7 | 0 | 0 | 112.2 | L212 C213 H214 S220 | L212-Q216 WeakPolarHBondContact O-CB 3.35Å; L212-Q216 PolarHBondContact O-N 2.92Å; C213-Q216 PolarHBondContact O-N 3.5Å; H214-Q216 VanDerWaalsContact C-N 3.35Å; H214-Q216 PolarHBondContact O-N 3.41Å; Q216-S220 WeakPolarHBondContact O-CB 3.46Å; Q216-S220 PolarHBondContact O-N 2.71Å; Q216-S220 PolarHBondContact O-OG 2.91Å |
| 217 | A | 88 | Confident | 90.4 | Very high | 49 Ų | 49 | 100.7 Ų | 100.7 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C213 H214 S220 E221 | C213-A217 WeakPolarHBondContact O-CB 3.23Å; C213-A217 PolarHBondContact O-N 2.93Å; H214-A217 PolarHBondContact O-N 3.47Å; A217-S220 PolarHBondContact O-N 3.03Å; A217-E221 WeakPolarHBondContact O-CG 3.42Å; A217-E221 PolarHBondContact O-N 2.93Å |
| 218 | T | 90.8 | Very high | 89.5 | Confident | 53 Ų | 53 | 102.2 Ų | 102.2 | 33% | 0.325 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 178.2 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | H214 L215 E221 F222 | H214-T218 WeakPolarHBondContact O-CG2 3.46Å; H214-T218 PolarHBondContact O-N 2.86Å; H214-T218 PolarHBondContact O-OG1 2.94Å; L215-T218 WeakPolarHBondContact CA-OG1 3.35Å; L215-T218 PolarHBondContact O-N 2.92Å; L215-T218 PolarHBondContact O-OG1 3.34Å; T218-E221 PolarHBondContact O-N 3.19Å; T218-F222 WeakPolarHBondContact O-CB 3.5Å; T218-F222 PolarHBondContact O-N 3.42Å |
| 219 | V | 89.3 | Confident | 88.5 | Confident | 74 Ų | 74 | 105 Ų | 105 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 171.9 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L215 E221 F222 E223 | L215-V219 WeakPolarHBondContact O-CB 3.39Å; L215-V219 VanDerWaalsContact O-CG2 3.23Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 3.43Å; V219-E221 VanDerWaalsContact C-N 3.33Å; V219-E221 PolarHBondContact O-N 2.94Å; V219-F222 WeakPolarHBondContact O-CB 3.37Å; V219-F222 PolarHBondContact O-N 3.4Å; V219-E223 HydrophobicContact CG1-CG 4.42Å; V219-E223 WeakPolarHBondContact O-CG 3.4Å; V219-E223 PolarHBondContact O-N 2.88Å |
| 220 | S | 88.6 | Confident | 86.7 | Confident | 51 Ų | 51 | 103.9 Ų | 103.9 | 36% | 0.357 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | Q216 A217 R224 | Q216-S220 WeakPolarHBondContact O-CB 3.46Å; Q216-S220 PolarHBondContact O-N 2.71Å; Q216-S220 PolarHBondContact O-OG 2.91Å; A217-S220 PolarHBondContact O-N 3.03Å; S220-R224 WeakPolarHBondContact O-CB 3.37Å; S220-R224 WeakPolarHBondContact O-CG 3.33Å; S220-R224 PolarHBondContact O-N 3.24Å |
| 221 | E | 89 | Confident | 84.8 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 173.4 | -75.5 | -176 | 173 | 0 | 0 | 111.7 | A217 T218 V219 R224 L225 | A217-E221 WeakPolarHBondContact O-CG 3.42Å; A217-E221 PolarHBondContact O-N 2.93Å; T218-E221 PolarHBondContact O-N 3.19Å; V219-E221 VanDerWaalsContact C-N 3.33Å; V219-E221 PolarHBondContact O-N 2.94Å; E221-R224 WeakPolarHBondContact O-CB 3.3Å; E221-R224 PolarHBondContact O-N 3.21Å; E221-L225 WeakPolarHBondContact O-CG 3.42Å; E221-L225 PolarHBondContact O-N 2.75Å |
| 222 | F | 88.3 | Confident | 83 | Confident | 146 Ų | 146 | 100.4 Ų | 100.4 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -45.1 | 175.5 | -175.4 | -94.7 | 0 | 0 | 0 | 112.1 | T218 V219 R224 L225 A226 | T218-F222 WeakPolarHBondContact O-CB 3.5Å; T218-F222 PolarHBondContact O-N 3.42Å; V219-F222 WeakPolarHBondContact O-CB 3.37Å; V219-F222 PolarHBondContact O-N 3.4Å; F222-R224 VanDerWaalsContact C-N 3.33Å; F222-R224 PolarHBondContact O-N 3.48Å; F222-L225 PolarHBondContact O-N 2.83Å; F222-A226 WeakPolarHBondContact O-CB 3.5Å; F222-A226 PolarHBondContact O-N 2.97Å |
| 223 | E | 85.5 | Confident | 81.1 | Confident | 117 Ų | 117 | 102.2 Ų | 102.2 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.5 | -39.6 | 175.9 | -74.9 | 178.1 | 173.3 | 0 | 0 | 112.3 | V219 A226 S227 | V219-E223 HydrophobicContact CG1-CG 4.42Å; V219-E223 WeakPolarHBondContact O-CG 3.4Å; V219-E223 PolarHBondContact O-N 2.88Å; E223-A226 PolarHBondContact O-N 2.9Å; E223-S227 VanDerWaalsContact O-CB 3.3Å; E223-S227 WeakPolarHBondContact O-CB 3.36Å; E223-S227 PolarHBondContact O-N 3.44Å; E223-S227 PolarHBondContact O-OG 3.07Å |
| 224 | R | 86.1 | Confident | 79.2 | Confident | 197 Ų | 197 | 103.8 Ų | 103.8 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.1 | -44.1 | 173.1 | -82.6 | 177.7 | 167.3 | 179.7 | -2.3 | 112.2 | S220 E221 F222 S227 S228 | S220-R224 WeakPolarHBondContact O-CB 3.37Å; S220-R224 WeakPolarHBondContact O-CG 3.33Å; S220-R224 PolarHBondContact O-N 3.24Å; E221-R224 WeakPolarHBondContact O-CB 3.3Å; E221-R224 PolarHBondContact O-N 3.21Å; F222-R224 VanDerWaalsContact C-N 3.33Å; F222-R224 PolarHBondContact O-N 3.48Å; R224-S227 PolarHBondContact O-N 3.25Å; R224-S228 PolarHBondContact O-N 3.44Å; R224-S228 VanDerWaalsContact O-N 3.13Å |
| 225 | L | 84.8 | Confident | 77.2 | Confident | 109 Ų | 109 | 107.9 Ų | 107.9 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -43.3 | 177.5 | -71.9 | 170.9 | 0 | 0 | 0 | 111.7 | E221 F222 S227 S228 L229 | E221-L225 WeakPolarHBondContact O-CG 3.42Å; E221-L225 PolarHBondContact O-N 2.75Å; F222-L225 PolarHBondContact O-N 2.83Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.46Å; L225-S228 PolarHBondContact O-N 2.91Å; L225-S228 PolarHBondContact O-OG 3.13Å; L225-S228 VanDerWaalsContact O-OG 3.07Å; L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.47Å; L225-L229 PolarHBondContact O-N 3.34Å |
| 226 | A | 81.3 | Confident | 75 | Confident | 41 Ų | 41 | 109.6 Ų | 109.6 | 34% | 0.339 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.3 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F222 E223 S228 L229 C230 | F222-A226 WeakPolarHBondContact O-CB 3.5Å; F222-A226 PolarHBondContact O-N 2.97Å; E223-A226 PolarHBondContact O-N 2.9Å; A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 3.29Å; A226-L229 PolarHBondContact O-N 3.25Å; A226-C230 PolarHBondContact O-N 3.23Å |
| 227 | S | 80.1 | Confident | 72.7 | Confident | 88 Ų | 88 | 116.7 Ų | 116.7 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.3 | -27.4 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | E223 R224 L225 | E223-S227 VanDerWaalsContact O-CB 3.3Å; E223-S227 WeakPolarHBondContact O-CB 3.36Å; E223-S227 PolarHBondContact O-N 3.44Å; E223-S227 PolarHBondContact O-OG 3.07Å; R224-S227 PolarHBondContact O-N 3.25Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.46Å |
| 228 | S | 78.1 | Confident | 71.9 | Confident | 93 Ų | 93 | 120.1 Ų | 120.1 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.7 | -20.6 | 175 | 84.3 | 0 | 0 | 0 | 0 | 113.3 | R224 L225 A226 | R224-S228 PolarHBondContact O-N 3.44Å; R224-S228 VanDerWaalsContact O-N 3.13Å; L225-S228 PolarHBondContact O-N 2.91Å; L225-S228 PolarHBondContact O-OG 3.13Å; L225-S228 VanDerWaalsContact O-OG 3.07Å; A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 3.29Å |
| 229 | L | 74.9 | Confident | 70.9 | Confident | 140 Ų | 140 | 123.6 Ų | 123.6 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -89.4 | -13.2 | 178.7 | -71.4 | 162.9 | 0 | 0 | 0 | 113.6 | L225 A226 P231 | L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.47Å; L225-L229 PolarHBondContact O-N 3.34Å; A226-L229 PolarHBondContact O-N 3.25Å; L229-P231 WeakPolarHBondContact O-CD 3.41Å |
| 230 | C | 59.3 | Low | 69.9 | Low | 94 Ų | 94 | 126.3 Ų | 126.3 | 64% | 0.635 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -93.7 | 108.1 | 171.1 | -76 | 0 | 0 | 0 | 0 | 109.9 | A226 A232 | A226-C230 PolarHBondContact O-N 3.23Å; C230-A232 PolarHBondContact O-N 3.26Å |
| 231 | P | 56.5 | Low | 68.8 | Low | 105 Ų | 105 | 130.8 Ų | 130.8 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | trans | -70.9 | 119.9 | 174.9 | -6.6 | 22.8 | 0 | 0 | 0 | 109 | L229 H233 | L229-P231 WeakPolarHBondContact O-CD 3.41Å; P231-H233 PolarHBondContact O-N 3.44Å | ||
| 232 | A | 56.8 | Low | 67.6 | Low | 103 Ų | 103 | 131.3 Ų | 131.3 | 85% | 0.851 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -73.9 | 58.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.8 | C230 | C230-A232 PolarHBondContact O-N 3.26Š|
| 233 | H | 54.5 | Low | 66.2 | Low | 150 Ų | 150 | 130.3 Ų | 130.3 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | trans | 179.6 | 93.2 | 162.6 | -108.2 | -9.1 | 0 | 0 | 0 | 110.6 | P231 | P231-H233 PolarHBondContact O-N 3.44Š| ||
| 234 | V | 52.6 | Low | 64.8 | Low | 112 Ų | 112 | 131.2 Ų | 131.2 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -139.5 | 132.6 | 141.4 | -177.1 | 0 | 0 | 0 | 0 | 104.9 | ||
| 235 | F | 51.9 | Low | 63.2 | Low | 189 Ų | 189 | 126.2 Ų | 126.2 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | trans | 89.9 | 73.2 | -170.4 | -51.4 | -69.8 | 0 | 0 | 0 | 115.5 | ||||
| 236 | D | 48.3 | Very low | 61.4 | Low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | -135.7 | 122.4 | 128.6 | -100.6 | -28.1 | 0 | 0 | 0 | 107.9 | |||||
| 237 | E | 42.4 | Very low | 59.6 | Low | 271 Ų | 271 | 135.5 Ų | 135.5 | 100% | 1.266 | 77% | 0.765 | S | S | * | * | trans | 47.4 | 0 | 173.9 | -65.6 | -170.8 | 148.7 | 0 | 0 | 121.6 |
Retrieved 237 of 237 residues in 640.3 ms
(Link to these results)