| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 44.9 | Very low | 251 Ų | 251 | 132.1 Ų | 132.1 | 100% | 1.236 | 83% | 0.825 | S | S | * | * | 0 | 127.3 | 0 | -95 | 173.5 | 161.1 | 0 | 0 | 106.4 | |||||
| 2 | A | 36.9 | Very low | 45.6 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | cis | -168.4 | 154.4 | -16 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 3 | A | 42.8 | Very low | 46.4 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -77.5 | 161.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 4 | A | 40.9 | Very low | 47.2 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | 172.4 | 107.1 | 144 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 5 | E | 51.2 | Low | 48.4 | Very low | 191 Ų | 191 | 120.7 Ų | 120.7 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | 52.4 | 104.9 | 73.4 | -71.2 | -163.5 | 109.6 | 0 | 0 | 114.6 | |||||
| 6 | E | 46.5 | Very low | 49.8 | Very low | 197 Ų | 197 | 123.9 Ų | 123.9 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | 162.8 | 113 | 147.5 | -91.1 | -170 | 120.1 | 0 | 0 | 106.5 | ||||
| 7 | D | 41 | Very low | 50.8 | Low | 149 Ų | 149 | 124.4 Ų | 124.4 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | -165.3 | 112.4 | 89.4 | -172.4 | -101.8 | 0 | 0 | 0 | 108.9 | |||||
| 8 | C | 45.8 | Very low | 51.9 | Low | 141 Ų | 141 | 123.1 Ų | 123.1 | 95% | 0.953 | 73% | 0.727 | S | S | * | * | trans | -129.8 | 91.2 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 9 | G | 52.1 | Low | 53 | Low | 55 Ų | 55 | 123.2 Ų | 123.2 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | trans | -155.4 | 0.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 10 | V | 49.9 | Very low | 54.3 | Low | 124 Ų | 124 | 124.5 Ų | 124.5 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -117.9 | -18.4 | -174.9 | -172.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 11 | G | 49.8 | Very low | 55.2 | Low | 52 Ų | 52 | 124.4 Ų | 124.4 | 54% | 0.536 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -82.6 | -28.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | D15 | G11-D15 PolarHBondContact O-N 2.9Å |
| 12 | A | 54.3 | Low | 57 | Low | 73 Ų | 73 | 117.9 Ų | 117.9 | 60% | 0.603 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -79 | -23.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R16 | A12-R16 PolarHBondContact O-N 3.5Å |
| 13 | E | 55.9 | Low | 58.8 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.9 | -38.6 | 177.9 | -71.6 | -83.1 | 114 | 0 | 0 | 111.2 | R16 E17 | E13-R16 WeakPolarHBondContact O-CB 3.47Å; E13-R16 PolarHBondContact O-N 3.28Å; E13-E17 PolarHBondContact O-N 3Å |
| 14 | A | 56.8 | Low | 60.3 | Low | 61 Ų | 61 | 119.4 Ų | 119.4 | 50% | 0.504 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.1 | -37.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R16 L18 | A14-R16 VanDerWaalsContact C-N 3.33Å; A14-L18 WeakPolarHBondContact O-CB 3.33Å; A14-L18 PolarHBondContact O-N 3.22Å |
| 15 | D | 65 | Low | 61.9 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 54% | 0.535 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.3 | -34.4 | 172.9 | -92.8 | -40.7 | 0 | 0 | 0 | 111.7 | G11 L18 E19 | G11-D15 PolarHBondContact O-N 2.9Å; D15-L18 PolarHBondContact O-N 2.92Å; D15-E19 WeakPolarHBondContact O-CB 3.33Å; D15-E19 VanDerWaalsContact O-CG 3.29Å; D15-E19 WeakPolarHBondContact O-CG 3.42Å; D15-E19 PolarHBondContact O-N 2.92Å |
| 16 | R | 71.6 | Confident | 62.6 | Low | 172 Ų | 172 | 114 Ų | 114 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.5 | -43.1 | 178.5 | -111.3 | -179.5 | 144.9 | 169.8 | -5.4 | 113.3 | A12 E13 A14 L18 E19 E20 | A12-R16 PolarHBondContact O-N 3.5Å; E13-R16 WeakPolarHBondContact O-CB 3.47Å; E13-R16 PolarHBondContact O-N 3.28Å; A14-R16 VanDerWaalsContact C-N 3.33Å; R16-L18 VanDerWaalsContact C-N 3.28Å; R16-L18 PolarHBondContact O-N 2.74Å; R16-E19 PolarHBondContact O-N 3.46Å; R16-E20 PolarHBondContact O-N 2.99Å |
| 17 | E | 66.8 | Low | 63.7 | Low | 131 Ų | 131 | 110.5 Ų | 110.5 | 61% | 0.612 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.4 | -34.3 | 175.9 | -68.2 | -176.6 | 146.7 | 0 | 0 | 111.2 | E13 L21 | E13-E17 PolarHBondContact O-N 3Å; E17-L21 WeakPolarHBondContact O-CB 3.19Å; E17-L21 PolarHBondContact O-N 2.96Å |
| 18 | L | 70.6 | Confident | 64.9 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 53% | 0.529 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.6 | -40.4 | 175.3 | -147.7 | 78.8 | 0 | 0 | 0 | 111.9 | A14 D15 R16 L21 L22 | A14-L18 WeakPolarHBondContact O-CB 3.33Å; A14-L18 PolarHBondContact O-N 3.22Å; D15-L18 PolarHBondContact O-N 2.92Å; R16-L18 VanDerWaalsContact C-N 3.28Å; R16-L18 PolarHBondContact O-N 2.74Å; L18-L21 PolarHBondContact O-N 3.02Å; L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.48Å |
| 19 | E | 73.5 | Confident | 65.6 | Low | 126 Ų | 126 | 110.5 Ų | 110.5 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.9 | -42.6 | 174 | -78.4 | 176.1 | -177.7 | 0 | 0 | 111.4 | D15 R16 L22 E23 | D15-E19 WeakPolarHBondContact O-CB 3.33Å; D15-E19 VanDerWaalsContact O-CG 3.29Å; D15-E19 WeakPolarHBondContact O-CG 3.42Å; D15-E19 PolarHBondContact O-N 2.92Å; R16-E19 PolarHBondContact O-N 3.46Å; E19-L22 PolarHBondContact O-N 3.44Å; E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 PolarHBondContact O-N 2.87Å |
| 20 | E | 77.6 | Confident | 66 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 70% | 0.696 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67 | -37.6 | 177.3 | -164.6 | 173.5 | 147.2 | 0 | 0 | 112.1 | R16 E23 S24 | R16-E20 PolarHBondContact O-N 2.99Å; E20-E23 PolarHBondContact O-N 3.12Å; E20-S24 WeakPolarHBondContact O-CB 3.44Å; E20-S24 PolarHBondContact O-N 2.95Å |
| 21 | L | 73.4 | Confident | 66.4 | Low | 122 Ų | 122 | 116.3 Ų | 116.3 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67 | -37.5 | 173.4 | -103.8 | 148.1 | 0 | 0 | 0 | 112.7 | E17 L18 A25 | E17-L21 WeakPolarHBondContact O-CB 3.19Å; E17-L21 PolarHBondContact O-N 2.96Å; L18-L21 PolarHBondContact O-N 3.02Å; L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.25Å; L21-A25 PolarHBondContact O-N 3.46Å |
| 22 | L | 74.9 | Confident | 66.5 | Low | 114 Ų | 114 | 117.9 Ų | 117.9 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.1 | -37.7 | 176.1 | -73.1 | 171 | 0 | 0 | 0 | 111.8 | L18 E19 A25 L26 | L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.48Å; E19-L22 PolarHBondContact O-N 3.44Å; L22-A25 PolarHBondContact O-N 3.4Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 PolarHBondContact O-N 3.48Å |
| 23 | E | 74.4 | Confident | 66 | Low | 148 Ų | 148 | 122.9 Ų | 122.9 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.5 | -41.4 | 176.9 | -133.1 | 166.6 | -147 | 0 | 0 | 111.2 | E19 E20 A25 L26 D27 | E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 PolarHBondContact O-N 2.87Å; E20-E23 PolarHBondContact O-N 3.12Å; E23-A25 VanDerWaalsContact C-N 3.31Å; E23-A25 PolarHBondContact O-N 3.22Å; E23-L26 PolarHBondContact O-N 3.13Å; E23-D27 PolarHBondContact O-N 3.02Å; E23-D27 VanDerWaalsContact O-N 3.11Å |
| 24 | S | 75.2 | Confident | 65.6 | Low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.2 | -34.6 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 113 | E20 | E20-S24 WeakPolarHBondContact O-CB 3.44Å; E20-S24 PolarHBondContact O-N 2.95Å |
| 25 | A | 73.1 | Confident | 64.7 | Low | 52 Ų | 52 | 125.7 Ų | 125.7 | 43% | 0.43 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -76.1 | -31.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L21 L22 E23 | L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.25Å; L21-A25 PolarHBondContact O-N 3.46Å; L22-A25 PolarHBondContact O-N 3.4Å; E23-A25 VanDerWaalsContact C-N 3.31Å; E23-A25 PolarHBondContact O-N 3.22Å |
| 26 | L | 67.3 | Low | 63.6 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 62% | 0.623 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.6 | -36.6 | 177.6 | -167.3 | 66.2 | 0 | 0 | 0 | 111.9 | L22 E23 D28 F29 D30 | L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 PolarHBondContact O-N 3.48Å; E23-L26 PolarHBondContact O-N 3.13Å; L26-D28 PolarHBondContact O-N 2.71Å; L26-F29 PolarHBondContact O-N 2.93Å; L26-D30 PolarHBondContact O-N 3.3Å |
| 27 | D | 68.1 | Low | 62.2 | Low | 124 Ų | 124 | 122.9 Ų | 122.9 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.5 | -34 | 178.9 | -139 | -90.8 | 0 | 0 | 0 | 112.3 | E23 F29 D30 K31 | E23-D27 PolarHBondContact O-N 3.02Å; E23-D27 VanDerWaalsContact O-N 3.11Å; D27-F29 VanDerWaalsContact C-N 3.3Å; D27-F29 PolarHBondContact O-N 3.03Å; D27-D30 PolarHBondContact O-N 3.15Å; D27-K31 PolarHBondContact O-N 3.02Å |
| 28 | D | 67.8 | Low | 61.1 | Low | 114 Ų | 114 | 122.3 Ų | 122.3 | 61% | 0.61 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69.9 | -26.9 | 178.5 | -138.1 | -99.7 | 0 | 0 | 0 | 112.4 | L26 | L26-D28 PolarHBondContact O-N 2.71Å |
| 29 | F | 59.8 | Low | 59.8 | Low | 177 Ų | 177 | 122.9 Ų | 122.9 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.3 | -31.3 | 174.3 | -95.2 | -92.8 | 0 | 0 | 0 | 113.6 | L26 D27 | L26-F29 PolarHBondContact O-N 2.93Å; D27-F29 VanDerWaalsContact C-N 3.3Å; D27-F29 PolarHBondContact O-N 3.03Å |
| 30 | D | 60.5 | Low | 57.8 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 67% | 0.674 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78.1 | -24.9 | 177.9 | -120.2 | -78.6 | 0 | 0 | 0 | 112.2 | L26 D27 A32 | L26-D30 PolarHBondContact O-N 3.3Å; D27-D30 PolarHBondContact O-N 3.15Å; D30-A32 PolarHBondContact O-N 2.97Å |
| 31 | K | 58.5 | Low | 55.5 | Low | 175 Ų | 175 | 120.8 Ų | 120.8 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -12.1 | 174.9 | -160.8 | 169.7 | 177.9 | -171.3 | 0 | 113.8 | D27 | D27-K31 PolarHBondContact O-N 3.02Š|
| 32 | A | 52.3 | Low | 53.3 | Low | 84 Ų | 84 | 120.8 Ų | 120.8 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 28.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D30 | D30-A32 PolarHBondContact O-N 2.97Š|
| 33 | K | 43.5 | Very low | 51.2 | Low | 178 Ų | 178 | 121.7 Ų | 121.7 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | trans | -117.3 | 128.4 | 173.2 | -129.6 | 171 | -171.4 | 166.7 | 0 | 113 | ||||
| 34 | P | 46.4 | Very low | 49.6 | Very low | 127 Ų | 127 | 120 Ų | 120 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -77.8 | 141.8 | -177.2 | 32.2 | -32.9 | 0 | 0 | 0 | 111.1 | ||||
| 35 | S | 38.1 | Very low | 48.2 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | -115.5 | 151.7 | 177.3 | -152.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 36 | P | 41.9 | Very low | 46 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -92.6 | 160.1 | -152.5 | 37.1 | -34 | 0 | 0 | 0 | 115.3 | ||||
| 37 | A | 42.7 | Very low | 44.5 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -72.3 | 158.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 38 | P | 42.7 | Very low | 42.9 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | -158.3 | -165.8 | 105.9 | 38.4 | -17.1 | 0 | 0 | 0 | 114.9 | |||||
| 39 | P | 43.3 | Very low | 41.2 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | -129.5 | 160.3 | -53.4 | 35.7 | -18.4 | 0 | 0 | 0 | 116.6 | |||||
| 40 | S | 33 | Very low | 40.3 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 36.1 | 129.2 | 147.2 | -47.1 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 41 | T | 28.1 | Very low | 38.9 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 158.8 | 132.9 | 102.2 | 38.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 42 | T | 27.8 | Very low | 38.1 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 55.3 | 132.3 | 144.8 | 54.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 43 | T | 29.9 | Very low | 37.2 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | cis | -172.9 | 168.8 | 30.1 | 5.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 44 | P | 42.3 | Very low | 37.1 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -93.8 | -168.5 | -171.4 | 41.9 | -35.9 | 0 | 0 | 0 | 113.5 | ||||
| 45 | P | 44.8 | Very low | 36.8 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | cis | -127.5 | 173.1 | 8.8 | 38.9 | -17.4 | 0 | 0 | 0 | 114.1 | ||||
| 46 | D | 26.9 | Very low | 36.7 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | -178.6 | 168.8 | 78.8 | -163.1 | -99.4 | 0 | 0 | 0 | 111 | |||||
| 47 | A | 36.2 | Very low | 36.5 | Very low | 77 Ų | 77 | 120 Ų | 120 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -81.7 | 147.8 | -151.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 48 | S | 34.1 | Very low | 36.5 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | 174.5 | 128.9 | 117.1 | -76.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 49 | G | 32.1 | Very low | 36.5 | Very low | 73 Ų | 73 | 117.5 Ų | 117.5 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -73.7 | -175.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 50 | P | 40.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | cis | -138.8 | 163.8 | 40.5 | 36 | -15.9 | 0 | 0 | 0 | 117.7 | ||||
| 51 | Q | 32.4 | Very low | 36.6 | Very low | 186 Ų | 186 | 118.6 Ų | 118.6 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | trans | 77 | 99.1 | 149.1 | -77.7 | 173.9 | -77 | 0 | 0 | 121.9 | R53 | Q51-R53 PolarHBondContact O-N 3.16Š| ||
| 52 | K | 41.2 | Very low | 37.3 | Very low | 206 Ų | 206 | 115.2 Ų | 115.2 | 90% | 0.896 | 69% | 0.686 | S | S | * | * | trans | -22.9 | 119.4 | 142.5 | -100.3 | 173.7 | 167.1 | -177.6 | 0 | 114.7 | ||||
| 53 | R | 33.4 | Very low | 38.1 | Very low | 217 Ų | 217 | 113.8 Ų | 113.8 | 82% | 0.819 | 67% | 0.673 | S | S | * | * | trans | -103.4 | 136 | 142.1 | -82.7 | -168.1 | -172.6 | -177.3 | 2.3 | 108.5 | Q51 | Q51-R53 PolarHBondContact O-N 3.16Š| ||
| 54 | S | 41.5 | Very low | 38.8 | Very low | 79 Ų | 79 | 110.3 Ų | 110.3 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | trans | -77.8 | 151.4 | 178.5 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | G56 | S54-G56 PolarHBondContact O-N 3.39Š| ||
| 55 | P | 39.8 | Very low | 39.1 | Very low | 113 Ų | 113 | 107.1 Ų | 107.1 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.9 | -4.9 | -177.5 | -17.5 | 30.3 | 0 | 0 | 0 | 115.7 | T58 | P55-T58 PolarHBondContact O-OG1 3.01Å |
| 56 | G | 36.2 | Very low | 39.3 | Very low | 44 Ų | 44 | 105.3 Ų | 105.3 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -85.9 | -18.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S54 K60 | S54-G56 PolarHBondContact O-N 3.39Å; G56-K60 WeakPolarHBondContact O-CG 3.5Å |
| 57 | D | 37.6 | Very low | 40.4 | Very low | 94 Ų | 94 | 99 Ų | 99 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.8 | -40.4 | 177.1 | -99.1 | -80.6 | 0 | 0 | 0 | 111.4 | A59 K60 D61 | D57-A59 VanDerWaalsContact C-N 3.29Å; D57-A59 PolarHBondContact O-N 3.26Å; D57-K60 PolarHBondContact O-N 2.92Å; D57-K60 VanDerWaalsContact O-N 3.16Å; D57-D61 PolarHBondContact O-N 3.27Å |
| 58 | T | 43.2 | Very low | 40.9 | Very low | 98 Ų | 98 | 100.2 Ų | 100.2 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -27.3 | -179.7 | 42 | 0 | 0 | 0 | 0 | 113.8 | P55 A62 | P55-T58 PolarHBondContact O-OG1 3.01Å; T58-A62 VanDerWaalsContact O-CB 3.28Å; T58-A62 WeakPolarHBondContact O-CB 3.23Å; T58-A62 PolarHBondContact O-N 2.93Å; T58-A62 VanDerWaalsContact O-N 3.15Å |
| 59 | A | 42.3 | Very low | 41.7 | Very low | 63 Ų | 63 | 101.7 Ų | 101.7 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76.9 | -31.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D57 L63 | D57-A59 VanDerWaalsContact C-N 3.29Å; D57-A59 PolarHBondContact O-N 3.26Å; A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 3.42Å |
| 60 | K | 39.6 | Very low | 42.6 | Very low | 138 Ų | 138 | 101 Ų | 101 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -75.8 | -41.6 | 176.8 | -71.1 | 179.1 | 176.6 | -177.9 | 0 | 111.7 | G56 D57 A62 L63 F64 | G56-K60 WeakPolarHBondContact O-CG 3.5Å; D57-K60 PolarHBondContact O-N 2.92Å; D57-K60 VanDerWaalsContact O-N 3.16Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-L63 PolarHBondContact O-N 3.48Å; K60-F64 WeakPolarHBondContact O-CB 3.38Å; K60-F64 PolarHBondContact O-N 3.16Å |
| 61 | D | 38.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 96.2 Ų | 96.2 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -39.7 | 170.9 | -100.2 | -78.4 | 0 | 0 | 0 | 111.6 | D57 A65 | D57-D61 PolarHBondContact O-N 3.27Å; D61-A65 WeakPolarHBondContact O-CB 3.38Å; D61-A65 PolarHBondContact O-N 3.4Å |
| 62 | A | 43.4 | Very low | 43.6 | Very low | 54 Ų | 54 | 91.2 Ų | 91.2 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.1 | -36.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T58 K60 S66 | T58-A62 VanDerWaalsContact O-CB 3.28Å; T58-A62 WeakPolarHBondContact O-CB 3.23Å; T58-A62 PolarHBondContact O-N 2.93Å; T58-A62 VanDerWaalsContact O-N 3.15Å; K60-A62 VanDerWaalsContact C-N 3.32Å; A62-S66 VanDerWaalsContact O-CB 3.28Å; A62-S66 WeakPolarHBondContact O-CB 3.47Å; A62-S66 PolarHBondContact O-N 3.4Å; A62-S66 PolarHBondContact O-OG 2.91Å |
| 63 | L | 42.5 | Very low | 44 | Very low | 93 Ų | 93 | 87.7 Ų | 87.7 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68 | -45.7 | 173.7 | -158.6 | 178.7 | 0 | 0 | 0 | 110.2 | A59 K60 A65 S66 Q67 | A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 3.42Å; K60-L63 PolarHBondContact O-N 3.48Å; L63-A65 PolarHBondContact O-N 3.17Å; L63-S66 CarbonylContact O-C 3.58Å; L63-S66 PolarHBondContact O-N 2.75Å; L63-Q67 VanDerWaalsContact O-CB 3.28Å; L63-Q67 WeakPolarHBondContact O-CB 3.33Å; L63-Q67 PolarHBondContact O-N 3.47Å |
| 64 | F | 45.9 | Very low | 44.6 | Very low | 59 Ų | 59 | 78.9 Ų | 78.9 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 175 | -106.6 | -91.7 | 0 | 0 | 0 | 112.3 | K60 S66 Q67 E68 E249 | K60-F64 WeakPolarHBondContact O-CB 3.38Å; K60-F64 PolarHBondContact O-N 3.16Å; F64-S66 VanDerWaalsContact C-N 3.29Å; F64-S66 PolarHBondContact O-N 3.35Å; F64-Q67 CarbonylContact O-C 3.59Å; F64-Q67 PolarHBondContact O-N 2.79Å; F64-E68 WeakPolarHBondContact O-CB 3.26Å; F64-E68 PolarHBondContact O-N 3.12Å; F64-E249 WeakPolarHBondContact CE2-OE1 3.24Å |
| 65 | A | 48.9 | Very low | 44.9 | Very low | 45 Ų | 45 | 78.4 Ų | 78.4 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68 | -30.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D61 L63 K69 | D61-A65 WeakPolarHBondContact O-CB 3.38Å; D61-A65 PolarHBondContact O-N 3.4Å; L63-A65 PolarHBondContact O-N 3.17Å; A65-K69 WeakPolarHBondContact O-CB 3.3Å; A65-K69 VanDerWaalsContact O-CG 3.25Å; A65-K69 WeakPolarHBondContact O-CG 3.32Å; A65-K69 PolarHBondContact O-N 2.76Å |
| 66 | S | 49.3 | Very low | 45.3 | Very low | 76 Ų | 76 | 78.7 Ų | 78.7 | 53% | 0.531 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76 | -35.5 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | A62 L63 F64 F70 | A62-S66 VanDerWaalsContact O-CB 3.28Å; A62-S66 WeakPolarHBondContact O-CB 3.47Å; A62-S66 PolarHBondContact O-N 3.4Å; A62-S66 PolarHBondContact O-OG 2.91Å; L63-S66 CarbonylContact O-C 3.58Å; L63-S66 PolarHBondContact O-N 2.75Å; F64-S66 VanDerWaalsContact C-N 3.29Å; F64-S66 PolarHBondContact O-N 3.35Å; S66-F70 WeakPolarHBondContact O-CB 3.37Å; S66-F70 PolarHBondContact O-N 3.49Å |
| 67 | Q | 49.4 | Very low | 45.8 | Very low | 24 Ų | 24 | 79.7 Ų | 79.7 | 11% | 0.112 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 172.6 | -178.3 | -178.9 | 90 | 0 | 0 | 110.7 | L63 F64 F70 F71 L252 | L63-Q67 VanDerWaalsContact O-CB 3.28Å; L63-Q67 WeakPolarHBondContact O-CB 3.33Å; L63-Q67 PolarHBondContact O-N 3.47Å; F64-Q67 CarbonylContact O-C 3.59Å; F64-Q67 PolarHBondContact O-N 2.79Å; Q67-F70 CarbonylContact O-C 3.57Å; Q67-F70 WeakPolarHBondContact O-CB 3.28Å; Q67-F70 PolarHBondContact O-N 2.8Å; Q67-F71 HydrophobicContact CG-CD2 3.88Å; Q67-F71 HydrophobicContact CG-CE2 3.42Å; Q67-F71 VanDerWaalsContact CG-CE2 3.42Å; Q67-F71 HydrophobicContact CG-CZ 3.97Å; Q67-F71 WeakPolarHBondContact O-CB 3.28Å; Q67-F71 WeakPolarHBondContact O-CD2 3.41Å; Q67-F71 WeakPolarHBondContact O-CG 3.16Å; Q67-F71 PolarHBondContact O-N 2.83Å; Q67-L252 HydrophobicContact CG-CD2 4.33Å; Q67-L252 VanDerWaalsContact NE2-CD2 3.31Å |
| 68 | E | 45.9 | Very low | 46.1 | Very low | 103 Ų | 103 | 81.7 Ų | 81.7 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 176.4 | -171.5 | 169.2 | -158.7 | 0 | 0 | 110.9 | F64 F71 Q72 | F64-E68 WeakPolarHBondContact O-CB 3.26Å; F64-E68 PolarHBondContact O-N 3.12Å; E68-F71 PolarHBondContact O-N 2.76Å; E68-Q72 VanDerWaalsContact O-CB 3.26Å; E68-Q72 WeakPolarHBondContact O-CB 3.3Å; E68-Q72 PolarHBondContact O-N 3.17Å |
| 69 | K | 51.6 | Low | 46.2 | Very low | 152 Ų | 152 | 79.7 Ų | 79.7 | 66% | 0.661 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.5 | -37.9 | 169.1 | -83.4 | -172.7 | 177 | -170.6 | 0 | 113.2 | A65 F71 Q72 E73 | A65-K69 WeakPolarHBondContact O-CB 3.3Å; A65-K69 VanDerWaalsContact O-CG 3.25Å; A65-K69 WeakPolarHBondContact O-CG 3.32Å; A65-K69 PolarHBondContact O-N 2.76Å; K69-F71 VanDerWaalsContact C-N 3.34Å; K69-Q72 CarbonylContact O-C 3.59Å; K69-Q72 PolarHBondContact O-N 2.94Å; K69-E73 WeakPolarHBondContact O-CB 3.44Å; K69-E73 PolarHBondContact O-N 2.65Å |
| 70 | F | 51.1 | Low | 46.5 | Very low | 58 Ų | 58 | 78.5 Ų | 78.5 | 25% | 0.254 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 174.8 | 174.3 | -105.7 | 0 | 0 | 0 | 111.2 | S66 Q67 E73 L74 Q256 | S66-F70 WeakPolarHBondContact O-CB 3.37Å; S66-F70 PolarHBondContact O-N 3.49Å; Q67-F70 CarbonylContact O-C 3.57Å; Q67-F70 WeakPolarHBondContact O-CB 3.28Å; Q67-F70 PolarHBondContact O-N 2.8Å; F70-E73 PolarHBondContact O-N 3.35Å; F70-L74 HydrophobicContact CD1-CD1 4.01Å; F70-L74 HydrophobicContact CD1-CG 4.48Å; F70-L74 HydrophobicContact CE1-CD1 3.24Å; F70-L74 HydrophobicContact CE1-CG 3.88Å; F70-L74 HydrophobicContact CE2-CD1 4.22Å; F70-L74 HydrophobicContact CE2-CD2 4.25Å; F70-L74 HydrophobicContact CE2-CG 3.95Å; F70-L74 HydrophobicContact CZ-CD1 3.32Å; F70-L74 HydrophobicContact CZ-CD2 3.86Å; F70-L74 HydrophobicContact CZ-CG 3.51Å; F70-L74 WeakPolarHBondContact O-CB 3.37Å; F70-L74 WeakPolarHBondContact O-CG 3.5Å; F70-L74 PolarHBondContact O-N 3Å; F70-Q256 HydrophobicContact CZ-CG 4.23Å |
| 71 | F | 46.9 | Very low | 47 | Very low | 15 Ų | 15 | 75.5 Ų | 75.5 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.7 | -38.4 | 175.5 | -78 | -141.6 | 0 | 0 | 0 | 110.4 | Q67 E68 K69 F75 M179 L252 | Q67-F71 HydrophobicContact CG-CD2 3.88Å; Q67-F71 HydrophobicContact CG-CE2 3.42Å; Q67-F71 VanDerWaalsContact CG-CE2 3.42Å; Q67-F71 HydrophobicContact CG-CZ 3.97Å; Q67-F71 WeakPolarHBondContact O-CB 3.28Å; Q67-F71 WeakPolarHBondContact O-CD2 3.41Å; Q67-F71 WeakPolarHBondContact O-CG 3.16Å; Q67-F71 PolarHBondContact O-N 2.83Å; E68-F71 PolarHBondContact O-N 2.76Å; K69-F71 VanDerWaalsContact C-N 3.34Å; F71-F75 VanDerWaalsContact O-CD2 3.26Å; F71-F75 WeakPolarHBondContact O-CD2 3.43Å; F71-F75 PolarHBondContact O-N 3.38Å; F71-M179 HydrophobicContact CD1-CE 4.35Å; F71-M179 HydrophobicContact CD1-SD 4.1Å; F71-M179 HydrophobicContact CE1-CE 4.22Å; F71-M179 HydrophobicContact CE1-SD 3.4Å; F71-M179 WeakPolarHBondContact CE1-SD 3.34Å; F71-M179 HydrophobicContact CZ-SD 3.67Å; F71-L252 HydrophobicContact CE2-CD2 3.99Å; F71-L252 HydrophobicContact CZ-CD1 4.36Å; F71-L252 HydrophobicContact CZ-CD2 3.74Å |
| 72 | Q | 46.3 | Very low | 47.4 | Very low | 82 Ų | 82 | 76 Ų | 76 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -51 | 170.6 | -160.3 | 74.2 | 38 | 0 | 0 | 109 | E68 K69 L74 F75 D76 | E68-Q72 VanDerWaalsContact O-CB 3.26Å; E68-Q72 WeakPolarHBondContact O-CB 3.3Å; E68-Q72 PolarHBondContact O-N 3.17Å; K69-Q72 CarbonylContact O-C 3.59Å; K69-Q72 PolarHBondContact O-N 2.94Å; Q72-L74 PolarHBondContact O-N 3.48Å; Q72-F75 CarbonylContact O-C 3.6Å; Q72-F75 PolarHBondContact O-N 3.02Å; Q72-D76 HydrophobicContact CG-CB 4.27Å; Q72-D76 WeakPolarHBondContact O-CA 3.29Å; Q72-D76 WeakPolarHBondContact O-CB 3.27Å; Q72-D76 PolarHBondContact O-N 3.17Å |
| 73 | E | 49.4 | Very low | 47.6 | Very low | 132 Ų | 132 | 75.9 Ų | 75.9 | 62% | 0.617 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.3 | -36 | -177.4 | -168.9 | 165.3 | -163.4 | 0 | 0 | 113.4 | K69 F70 F75 S77 | K69-E73 WeakPolarHBondContact O-CB 3.44Å; K69-E73 PolarHBondContact O-N 2.65Å; F70-E73 PolarHBondContact O-N 3.35Å; E73-F75 VanDerWaalsContact C-N 3.27Å; E73-F75 PolarHBondContact O-N 3.04Å; E73-S77 WeakPolarHBondContact O-CB 3.43Å; E73-S77 PolarHBondContact O-N 3.26Å |
| 74 | L | 47.1 | Very low | 48 | Very low | 32 Ų | 32 | 75.5 Ų | 75.5 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.8 | -29.2 | 171.3 | -82.9 | -179.7 | 0 | 0 | 0 | 113.6 | F70 Q72 L285 | F70-L74 HydrophobicContact CD1-CD1 4.01Å; F70-L74 HydrophobicContact CD1-CG 4.48Å; F70-L74 HydrophobicContact CE1-CD1 3.24Å; F70-L74 HydrophobicContact CE1-CG 3.88Å; F70-L74 HydrophobicContact CE2-CD1 4.22Å; F70-L74 HydrophobicContact CE2-CD2 4.25Å; F70-L74 HydrophobicContact CE2-CG 3.95Å; F70-L74 HydrophobicContact CZ-CD1 3.32Å; F70-L74 HydrophobicContact CZ-CD2 3.86Å; F70-L74 HydrophobicContact CZ-CG 3.51Å; F70-L74 WeakPolarHBondContact O-CB 3.37Å; F70-L74 WeakPolarHBondContact O-CG 3.5Å; F70-L74 PolarHBondContact O-N 3Å; Q72-L74 PolarHBondContact O-N 3.48Å; L74-L285 HydrophobicContact CD2-CD1 3.95Å |
| 75 | F | 47.9 | Very low | 48.2 | Very low | 69 Ų | 69 | 75.3 Ų | 75.3 | 30% | 0.303 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -105.6 | -32.7 | -176.2 | -81 | -93.6 | 0 | 0 | 0 | 113.2 | F71 Q72 E73 S77 A80 M175 M179 | F71-F75 VanDerWaalsContact O-CD2 3.26Å; F71-F75 WeakPolarHBondContact O-CD2 3.43Å; F71-F75 PolarHBondContact O-N 3.38Å; Q72-F75 CarbonylContact O-C 3.6Å; Q72-F75 PolarHBondContact O-N 3.02Å; E73-F75 VanDerWaalsContact C-N 3.27Å; E73-F75 PolarHBondContact O-N 3.04Å; F75-S77 VanDerWaalsContact C-N 3.31Å; F75-S77 PolarHBondContact O-N 3.37Å; F75-A80 WeakPolarHBondContact O-CB 3.26Å; F75-A80 PolarHBondContact O-N 3.45Å; F75-M175 HydrophobicContact CB-CE 4.19Å; F75-M175 HydrophobicContact CD1-CE 3.34Å; F75-M175 HydrophobicContact CD1-SD 4.12Å; F75-M175 HydrophobicContact CD2-CE 3.17Å; F75-M175 HydrophobicContact CE1-CE 3.36Å; F75-M175 HydrophobicContact CE1-SD 4.1Å; F75-M175 HydrophobicContact CE2-CE 3.18Å; F75-M175 HydrophobicContact CG-CE 3.26Å; F75-M175 HydrophobicContact CG-SD 4.46Å; F75-M175 HydrophobicContact CZ-CE 3.3Å; F75-M175 HydrophobicContact CZ-SD 4.44Å; F75-M179 HydrophobicContact CE2-CE 3.83Å; F75-M179 HydrophobicContact CZ-CE 4.38Å |
| 76 | D | 47.1 | Very low | 48.1 | Very low | 119 Ų | 119 | 78.6 Ų | 78.6 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -80.9 | -12.8 | -174.8 | -147.5 | 16.9 | 0 | 0 | 0 | 111.9 | Q72 | Q72-D76 HydrophobicContact CG-CB 4.27Å; Q72-D76 WeakPolarHBondContact O-CA 3.29Å; Q72-D76 WeakPolarHBondContact O-CB 3.27Å; Q72-D76 PolarHBondContact O-N 3.17Å |
| 77 | S | 47.9 | Very low | 48.1 | Very low | 65 Ų | 65 | 81.8 Ų | 81.8 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 96.1 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | E73 F75 L79 | E73-S77 WeakPolarHBondContact O-CB 3.43Å; E73-S77 PolarHBondContact O-N 3.26Å; F75-S77 VanDerWaalsContact C-N 3.31Å; F75-S77 PolarHBondContact O-N 3.37Å; S77-L79 PolarHBondContact O-N 2.88Å |
| 78 | E | 43 | Very low | 48.3 | Very low | 135 Ų | 135 | 87 Ų | 87 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | -33.1 | 163.9 | -156.8 | 158.7 | -171.2 | 0 | 0 | 116.4 | S81 Q82 | E78-S81 CarbonylContact O-C 3.54Å; E78-S81 PolarHBondContact O-N 3.33Å; E78-S81 PolarHBondContact O-OG 2.95Å; E78-Q82 VanDerWaalsContact O-CB 3.28Å; E78-Q82 WeakPolarHBondContact O-CB 3.28Å; E78-Q82 PolarHBondContact O-N 3.19Å |
| 79 | L | 46 | Very low | 49 | Very low | 57 Ų | 57 | 88 Ų | 88 | 30% | 0.298 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | 177 | -173.6 | 67 | 0 | 0 | 0 | 112.9 | S77 S81 Q82 A83 L283 | S77-L79 PolarHBondContact O-N 2.88Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.46Å; L79-Q82 PolarHBondContact O-N 2.88Å; L79-A83 WeakPolarHBondContact O-CA 3.43Å; L79-A83 WeakPolarHBondContact O-CB 3.04Å; L79-A83 PolarHBondContact O-N 3.04Å; L79-L283 HydrophobicContact CD2-CD2 4.29Å |
| 80 | A | 48.9 | Very low | 49.1 | Very low | 38 Ų | 38 | 83.3 Ų | 83.3 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F75 T84 | F75-A80 WeakPolarHBondContact O-CB 3.26Å; F75-A80 PolarHBondContact O-N 3.45Å; A80-T84 WeakPolarHBondContact O-CB 3.49Å; A80-T84 PolarHBondContact O-N 3.31Å; A80-T84 PolarHBondContact O-OG1 2.94Å |
| 81 | S | 49.2 | Very low | 49.1 | Very low | 75 Ų | 75 | 83.6 Ų | 83.6 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 175.9 | 87.5 | 0 | 0 | 0 | 0 | 111.6 | E78 L79 A85 | E78-S81 CarbonylContact O-C 3.54Å; E78-S81 PolarHBondContact O-N 3.33Å; E78-S81 PolarHBondContact O-OG 2.95Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.46Å; S81-A85 WeakPolarHBondContact O-CB 3.25Å; S81-A85 PolarHBondContact O-N 2.89Å |
| 82 | Q | 48.3 | Very low | 49.8 | Very low | 113 Ų | 113 | 89.3 Ų | 89.3 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -74.6 | -38.8 | 177.9 | -171.6 | 172.9 | 18.3 | 0 | 0 | 111.3 | E78 L79 A85 E86 | E78-Q82 VanDerWaalsContact O-CB 3.28Å; E78-Q82 WeakPolarHBondContact O-CB 3.28Å; E78-Q82 PolarHBondContact O-N 3.19Å; L79-Q82 PolarHBondContact O-N 2.88Å; Q82-A85 PolarHBondContact O-N 3.4Å; Q82-E86 HydrophobicContact CG-CG 4.44Å; Q82-E86 WeakPolarHBondContact O-CB 3.49Å; Q82-E86 WeakPolarHBondContact O-CG 3.31Å; Q82-E86 PolarHBondContact O-N 2.72Å |
| 83 | A | 47.9 | Very low | 50.4 | Low | 52 Ų | 52 | 90.5 Ų | 90.5 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L79 F87 | L79-A83 WeakPolarHBondContact O-CA 3.43Å; L79-A83 WeakPolarHBondContact O-CB 3.04Å; L79-A83 PolarHBondContact O-N 3.04Å; A83-F87 WeakPolarHBondContact O-CA 3.18Å; A83-F87 WeakPolarHBondContact O-CB 3.34Å; A83-F87 PolarHBondContact O-N 3.21Å |
| 84 | T | 49.1 | Very low | 50.5 | Low | 85 Ų | 85 | 87.7 Ų | 87.7 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 172.5 | -56 | 0 | 0 | 0 | 0 | 110.5 | A80 F87 E88 | A80-T84 WeakPolarHBondContact O-CB 3.49Å; A80-T84 PolarHBondContact O-N 3.31Å; A80-T84 PolarHBondContact O-OG1 2.94Å; T84-F87 PolarHBondContact O-N 2.96Å; T84-E88 WeakPolarHBondContact O-CB 3.15Å; T84-E88 PolarHBondContact O-N 3.39Å |
| 85 | A | 50.6 | Low | 51 | Low | 54 Ų | 54 | 87.7 Ų | 87.7 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.9 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S81 Q82 K89 | S81-A85 WeakPolarHBondContact O-CB 3.25Å; S81-A85 PolarHBondContact O-N 2.89Å; Q82-A85 PolarHBondContact O-N 3.4Å; A85-K89 WeakPolarHBondContact O-CB 3.25Å; A85-K89 PolarHBondContact O-N 2.83Å |
| 86 | E | 47.8 | Very low | 51.6 | Low | 115 Ų | 115 | 91.4 Ų | 91.4 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 172.8 | -78.4 | -92.5 | 134.3 | 0 | 0 | 110.5 | Q82 K89 A90 | Q82-E86 HydrophobicContact CG-CG 4.44Å; Q82-E86 WeakPolarHBondContact O-CB 3.49Å; Q82-E86 WeakPolarHBondContact O-CG 3.31Å; Q82-E86 PolarHBondContact O-N 2.72Å; E86-K89 PolarHBondContact O-N 3.03Å; E86-A90 WeakPolarHBondContact O-CB 3.22Å; E86-A90 PolarHBondContact O-N 3.08Å |
| 87 | F | 47.9 | Very low | 51.7 | Low | 143 Ų | 143 | 93.2 Ų | 93.2 | 63% | 0.627 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.5 | -42.6 | 174 | -178.3 | -96.7 | 0 | 0 | 0 | 111.7 | A83 T84 K89 A90 M91 | A83-F87 WeakPolarHBondContact O-CA 3.18Å; A83-F87 WeakPolarHBondContact O-CB 3.34Å; A83-F87 PolarHBondContact O-N 3.21Å; T84-F87 PolarHBondContact O-N 2.96Å; F87-K89 VanDerWaalsContact C-N 3.34Å; F87-A90 PolarHBondContact O-N 3.25Å; F87-M91 HydrophobicContact CE1-SD 4.34Å; F87-M91 WeakPolarHBondContact O-CB 3.17Å; F87-M91 PolarHBondContact O-N 3.43Å |
| 88 | E | 54.1 | Low | 51.9 | Low | 133 Ų | 133 | 94.8 Ų | 94.8 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 175.2 | -173.8 | -179.3 | 173 | 0 | 0 | 110.8 | T84 M91 K92 | T84-E88 WeakPolarHBondContact O-CB 3.15Å; T84-E88 PolarHBondContact O-N 3.39Å; E88-M91 PolarHBondContact O-N 2.83Å; E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3.44Å |
| 89 | K | 60.7 | Low | 52.5 | Low | 124 Ų | 124 | 92.1 Ų | 92.1 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 174.1 | -177.4 | -176.5 | 170.8 | -162.7 | 0 | 111.1 | A85 E86 F87 M91 K92 E93 | A85-K89 WeakPolarHBondContact O-CB 3.25Å; A85-K89 PolarHBondContact O-N 2.83Å; E86-K89 PolarHBondContact O-N 3.03Å; F87-K89 VanDerWaalsContact C-N 3.34Å; K89-M91 VanDerWaalsContact C-N 3.31Å; K89-M91 PolarHBondContact O-N 3.34Å; K89-K92 PolarHBondContact O-N 3.18Å; K89-E93 VanDerWaalsContact O-CB 3.28Å; K89-E93 WeakPolarHBondContact O-CB 2.88Å; K89-E93 PolarHBondContact O-N 3.28Å |
| 90 | A | 54.4 | Low | 52.6 | Low | 53 Ų | 53 | 95.6 Ų | 95.6 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E86 F87 K92 L94 | E86-A90 WeakPolarHBondContact O-CB 3.22Å; E86-A90 PolarHBondContact O-N 3.08Å; F87-A90 PolarHBondContact O-N 3.25Å; A90-K92 VanDerWaalsContact C-N 3.33Å; A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 PolarHBondContact O-N 2.89Å |
| 91 | M | 51 | Low | 52.8 | Low | 64 Ų | 64 | 96.1 Ų | 96.1 | 32% | 0.315 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.3 | -33.4 | 176 | -164.2 | -177.2 | -164.5 | 0 | 0 | 111.5 | F87 E88 K89 A95 F105 | F87-M91 HydrophobicContact CE1-SD 4.34Å; F87-M91 WeakPolarHBondContact O-CB 3.17Å; F87-M91 PolarHBondContact O-N 3.43Å; E88-M91 PolarHBondContact O-N 2.83Å; K89-M91 VanDerWaalsContact C-N 3.31Å; K89-M91 PolarHBondContact O-N 3.34Å; M91-A95 WeakPolarHBondContact O-CB 3.35Å; M91-A95 PolarHBondContact O-N 3.31Å; M91-F105 HydrophobicContact CE-CD1 3.55Å; M91-F105 HydrophobicContact CE-CE1 3.45Å; M91-F105 VanDerWaalsContact CE-CE1 3.45Å; M91-F105 HydrophobicContact CE-CG 4.2Å; M91-F105 HydrophobicContact CE-CZ 4.02Å |
| 92 | K | 61.2 | Low | 53.1 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 59% | 0.587 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -75.3 | -39.2 | 175.4 | -171.2 | 175.8 | -177.3 | 178 | 0 | 112.4 | E88 K89 A90 A95 E96 | E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3.44Å; K89-K92 PolarHBondContact O-N 3.18Å; A90-K92 VanDerWaalsContact C-N 3.33Å; K92-A95 VanDerWaalsContact O-CB 3.3Å; K92-A95 WeakPolarHBondContact O-CB 3.41Å; K92-A95 PolarHBondContact O-N 2.91Å; K92-E96 WeakPolarHBondContact O-CG 3.42Å; K92-E96 PolarHBondContact O-N 2.71Å |
| 93 | E | 59.3 | Low | 53.6 | Low | 108 Ų | 108 | 93.2 Ų | 93.2 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 174.4 | -158.2 | 163.4 | -154.9 | 0 | 0 | 109.8 | K89 A95 E96 E97 | K89-E93 VanDerWaalsContact O-CB 3.28Å; K89-E93 WeakPolarHBondContact O-CB 2.88Å; K89-E93 PolarHBondContact O-N 3.28Å; E93-A95 VanDerWaalsContact C-N 3.33Å; E93-A95 PolarHBondContact O-N 3.47Å; E93-E96 PolarHBondContact O-N 2.77Å; E93-E96 VanDerWaalsContact O-N 3.16Å; E93-E97 PolarHBondContact O-N 2.9Å |
| 94 | L | 50.5 | Low | 53.9 | Low | 73 Ų | 73 | 94.5 Ų | 94.5 | 38% | 0.382 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -31.7 | 169.6 | -168.8 | 66.5 | 0 | 0 | 0 | 112.6 | A90 E96 E98 L101 | A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 PolarHBondContact O-N 2.89Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E98 HydrophobicContact CD1-CB 4.28Å; L94-E98 HydrophobicContact CD1-CG 4.48Å; L94-E98 CarbonylContact O-C 3.34Å; L94-E98 VanDerWaalsContact O-CA 3.32Å; L94-E98 WeakPolarHBondContact O-CA 3.46Å; L94-E98 WeakPolarHBondContact O-CB 3.08Å; L94-E98 PolarHBondContact O-N 3.32Å; L94-L101 HydrophobicContact CD1-CD2 4.19Å; L94-L101 HydrophobicContact CD2-CD2 3.9Å; L94-L101 HydrophobicContact CG-CD2 4.13Å |
| 95 | A | 58.6 | Low | 54.1 | Low | 31 Ų | 31 | 96.1 Ų | 96.1 | 26% | 0.256 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M91 K92 E93 P99 V102 | M91-A95 WeakPolarHBondContact O-CB 3.35Å; M91-A95 PolarHBondContact O-N 3.31Å; K92-A95 VanDerWaalsContact O-CB 3.3Å; K92-A95 WeakPolarHBondContact O-CB 3.41Å; K92-A95 PolarHBondContact O-N 2.91Å; E93-A95 VanDerWaalsContact C-N 3.33Å; E93-A95 PolarHBondContact O-N 3.47Å; A95-P99 WeakPolarHBondContact O-CA 3.42Å; A95-V102 HydrophobicContact CB-CB 4Å; A95-V102 HydrophobicContact CB-CG1 4.01Å; A95-V102 HydrophobicContact CB-CG2 3.54Å |
| 96 | E | 59.6 | Low | 54.3 | Low | 148 Ų | 148 | 99.4 Ų | 99.4 | 69% | 0.692 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -81.4 | -39.5 | 179.3 | -73.6 | -177.8 | 159.6 | 0 | 0 | 112 | K92 E93 L94 | K92-E96 WeakPolarHBondContact O-CG 3.42Å; K92-E96 PolarHBondContact O-N 2.71Å; E93-E96 PolarHBondContact O-N 2.77Å; E93-E96 VanDerWaalsContact O-N 3.16Å; L94-E96 VanDerWaalsContact C-N 3.32Å |
| 97 | E | 50.2 | Low | 54.8 | Low | 156 Ų | 156 | 99.3 Ų | 99.3 | 73% | 0.729 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -80.6 | -39 | 178.1 | -71.2 | -159.8 | 117.2 | 0 | 0 | 113.1 | E93 P99 | E93-E97 PolarHBondContact O-N 2.9Å; E97-P99 VanDerWaalsContact C-CD 3.45Å; E97-P99 WeakPolarHBondContact O-CD 3.38Å |
| 98 | E | 51.4 | Low | 55.1 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | trans | -126.1 | 69 | -177.7 | -74.7 | -106.3 | 100.4 | 0 | 0 | 110.4 | L94 H100 L101 V102 | L94-E98 HydrophobicContact CD1-CB 4.28Å; L94-E98 HydrophobicContact CD1-CG 4.48Å; L94-E98 CarbonylContact O-C 3.34Å; L94-E98 VanDerWaalsContact O-CA 3.32Å; L94-E98 WeakPolarHBondContact O-CA 3.46Å; L94-E98 WeakPolarHBondContact O-CB 3.08Å; L94-E98 PolarHBondContact O-N 3.32Å; E98-H100 PolarHBondContact O-N 3.49Å; E98-L101 HydrophobicContact CB-CB 3.99Å; E98-L101 PolarHBondContact O-N 3.41Å; E98-V102 PolarHBondContact O-N 3.03Å | ||
| 99 | P | 55.4 | Low | 54.8 | Low | 79 Ų | 79 | 91.2 Ų | 91.2 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.8 | -24.2 | -179.1 | 23.4 | -33.8 | 0 | 0 | 0 | 112.5 | A95 E97 E103 | A95-P99 WeakPolarHBondContact O-CA 3.42Å; E97-P99 VanDerWaalsContact C-CD 3.45Å; E97-P99 WeakPolarHBondContact O-CD 3.38Å; P99-E103 VanDerWaalsContact O-CB 3.3Å; P99-E103 WeakPolarHBondContact O-CB 3.4Å; P99-E103 PolarHBondContact O-N 3.24Å |
| 100 | H | 49.2 | Very low | 54.4 | Low | 129 Ų | 129 | 90.5 Ų | 90.5 | 60% | 0.597 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.9 | -33.7 | 174.4 | -103.7 | -81.4 | 0 | 0 | 0 | 113.2 | E98 Q104 | E98-H100 PolarHBondContact O-N 3.49Å; H100-Q104 WeakPolarHBondContact O-CB 3.36Å; H100-Q104 WeakPolarHBondContact O-CG 3.46Å; H100-Q104 PolarHBondContact O-N 2.88Å |
| 101 | L | 51.7 | Low | 54.3 | Low | 49 Ų | 49 | 89.5 Ų | 89.5 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -76.6 | -37.1 | -179.1 | -171.7 | 60.9 | 0 | 0 | 0 | 111.1 | L94 E98 Q104 F105 | L94-L101 HydrophobicContact CD1-CD2 4.19Å; L94-L101 HydrophobicContact CD2-CD2 3.9Å; L94-L101 HydrophobicContact CG-CD2 4.13Å; E98-L101 HydrophobicContact CB-CB 3.99Å; E98-L101 PolarHBondContact O-N 3.41Å; L101-Q104 WeakPolarHBondContact O-CB 2.99Å; L101-Q104 PolarHBondContact O-N 3.48Å; L101-F105 PolarHBondContact O-N 3.02Å |
| 102 | V | 56.6 | Low | 54.3 | Low | 35 Ų | 35 | 88.9 Ų | 88.9 | 21% | 0.212 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.9 | -36.1 | 173.8 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | A95 E98 Q104 F105 Q106 | A95-V102 HydrophobicContact CB-CB 4Å; A95-V102 HydrophobicContact CB-CG1 4.01Å; A95-V102 HydrophobicContact CB-CG2 3.54Å; E98-V102 PolarHBondContact O-N 3.03Å; V102-Q104 VanDerWaalsContact C-N 3.26Å; V102-Q104 PolarHBondContact O-N 3.26Å; V102-F105 PolarHBondContact O-N 2.95Å; V102-Q106 VanDerWaalsContact O-CB 3.26Å; V102-Q106 WeakPolarHBondContact O-CB 3.44Å; V102-Q106 PolarHBondContact O-N 3.39Å |
| 103 | E | 58.5 | Low | 53.7 | Low | 92 Ų | 92 | 85.8 Ų | 85.8 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 169.3 | -160.9 | -167.3 | 170.8 | 0 | 0 | 111.6 | P99 K107 | P99-E103 VanDerWaalsContact O-CB 3.3Å; P99-E103 WeakPolarHBondContact O-CB 3.4Å; P99-E103 PolarHBondContact O-N 3.24Å; E103-K107 VanDerWaalsContact CD-NZ 3.31Å; E103-K107 VanDerWaalsContact O-CB 3.27Å; E103-K107 WeakPolarHBondContact O-CB 3.35Å; E103-K107 VanDerWaalsContact O-CG 3.23Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 PolarHBondContact O-N 2.85Å; E103-K107 VanDerWaalsContact OE1-CE 3.31Å; E103-K107 WeakPolarHBondContact OE1-CE 3.3Å; E103-K107 IonicContact OE1-NZ 3.8Å; E103-K107 PolarHBondContact OE1-NZ 2.94Å; E103-K107 IonicContact OE2-NZ 3.57Å |
| 104 | Q | 53.4 | Low | 53.3 | Low | 80 Ų | 80 | 89.2 Ų | 89.2 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 174.7 | -78.6 | 171.8 | -9.3 | 0 | 0 | 112.7 | H100 L101 V102 K107 L108 | H100-Q104 WeakPolarHBondContact O-CB 3.36Å; H100-Q104 WeakPolarHBondContact O-CG 3.46Å; H100-Q104 PolarHBondContact O-N 2.88Å; L101-Q104 WeakPolarHBondContact O-CB 2.99Å; L101-Q104 PolarHBondContact O-N 3.48Å; V102-Q104 VanDerWaalsContact C-N 3.26Å; V102-Q104 PolarHBondContact O-N 3.26Å; Q104-K107 PolarHBondContact O-N 3.45Å; Q104-L108 VanDerWaalsContact O-CB 3.29Å; Q104-L108 WeakPolarHBondContact O-CB 3.39Å; Q104-L108 PolarHBondContact O-N 2.87Å |
| 105 | F | 53.3 | Low | 53.1 | Low | 119 Ų | 119 | 88.4 Ų | 88.4 | 52% | 0.522 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 174.5 | -171.7 | -95.6 | 0 | 0 | 0 | 111.6 | M91 L101 V102 L108 S109 | M91-F105 HydrophobicContact CE-CD1 3.55Å; M91-F105 HydrophobicContact CE-CE1 3.45Å; M91-F105 VanDerWaalsContact CE-CE1 3.45Å; M91-F105 HydrophobicContact CE-CG 4.2Å; M91-F105 HydrophobicContact CE-CZ 4.02Å; L101-F105 PolarHBondContact O-N 3.02Å; V102-F105 PolarHBondContact O-N 2.95Å; F105-L108 PolarHBondContact O-N 3.22Å; F105-S109 WeakPolarHBondContact O-CB 3.33Å; F105-S109 PolarHBondContact O-N 3.46Å |
| 106 | Q | 56.2 | Low | 52.7 | Low | 122 Ų | 122 | 89.2 Ų | 89.2 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | 174.6 | -159.8 | 93.4 | 63.3 | 0 | 0 | 111.2 | V102 L108 S109 E110 | V102-Q106 VanDerWaalsContact O-CB 3.26Å; V102-Q106 WeakPolarHBondContact O-CB 3.44Å; V102-Q106 PolarHBondContact O-N 3.39Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-S109 PolarHBondContact O-N 3.44Å; Q106-E110 WeakPolarHBondContact O-CB 3.33Å; Q106-E110 PolarHBondContact O-N 3.13Å |
| 107 | K | 56.8 | Low | 52.3 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 173.3 | -81.3 | 173.1 | -174.9 | 161.9 | 0 | 112.3 | E103 Q104 A111 | E103-K107 VanDerWaalsContact CD-NZ 3.31Å; E103-K107 VanDerWaalsContact O-CB 3.27Å; E103-K107 WeakPolarHBondContact O-CB 3.35Å; E103-K107 VanDerWaalsContact O-CG 3.23Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 PolarHBondContact O-N 2.85Å; E103-K107 VanDerWaalsContact OE1-CE 3.31Å; E103-K107 WeakPolarHBondContact OE1-CE 3.3Å; E103-K107 IonicContact OE1-NZ 3.8Å; E103-K107 PolarHBondContact OE1-NZ 2.94Å; E103-K107 IonicContact OE2-NZ 3.57Å; Q104-K107 PolarHBondContact O-N 3.45Å; K107-A111 WeakPolarHBondContact O-CB 3.41Å; K107-A111 PolarHBondContact O-N 3.37Å |
| 108 | L | 55.3 | Low | 52.4 | Low | 36 Ų | 36 | 85.7 Ų | 85.7 | 19% | 0.188 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 175.4 | -171.3 | 66.4 | 0 | 0 | 0 | 111 | Q104 F105 Q106 A112 F125 L129 | Q104-L108 VanDerWaalsContact O-CB 3.29Å; Q104-L108 WeakPolarHBondContact O-CB 3.39Å; Q104-L108 PolarHBondContact O-N 2.87Å; F105-L108 PolarHBondContact O-N 3.22Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; L108-A112 VanDerWaalsContact O-CB 3.23Å; L108-A112 WeakPolarHBondContact O-CB 3.39Å; L108-A112 PolarHBondContact O-N 3.42Å; L108-F125 HydrophobicContact CD1-CD2 4.27Å; L108-F125 HydrophobicContact CD1-CE2 3.68Å; L108-F125 HydrophobicContact CD1-CZ 4.37Å; L108-F125 HydrophobicContact CG-CE2 4.44Å; L108-L129 HydrophobicContact CD1-CB 4.37Å; L108-L129 HydrophobicContact CD1-CD1 3.75Å; L108-L129 HydrophobicContact CD2-CD1 4.03Å; L108-L129 HydrophobicContact CG-CD1 4.5Å |
| 109 | S | 48.3 | Very low | 52.3 | Low | 70 Ų | 70 | 87.3 Ų | 87.3 | 49% | 0.49 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 174.7 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | F105 Q106 A112 G113 | F105-S109 WeakPolarHBondContact O-CB 3.33Å; F105-S109 PolarHBondContact O-N 3.46Å; Q106-S109 PolarHBondContact O-N 3.44Å; S109-A112 PolarHBondContact O-N 2.9Å; S109-G113 PolarHBondContact O-N 3.16Å |
| 110 | E | 52 | Low | 52.4 | Low | 109 Ų | 109 | 87.7 Ų | 87.7 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.3 | -34.3 | 176.3 | -161.4 | -179.8 | 124.7 | 0 | 0 | 112.2 | Q106 R114 | Q106-E110 WeakPolarHBondContact O-CB 3.33Å; Q106-E110 PolarHBondContact O-N 3.13Å; E110-R114 PolarHBondContact O-N 3.08Å; E110-R114 IonicContact OE1-CZ 3.65Å; E110-R114 IonicContact OE1-NH1 3.8Å; E110-R114 PolarHBondContact OE1-NH1 3.42Å; E110-R114 IonicContact OE1-NH2 3.73Å |
| 111 | A | 52.1 | Low | 52.7 | Low | 32 Ų | 32 | 83.8 Ų | 83.8 | 26% | 0.264 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K107 G113 R114 V115 F125 | K107-A111 WeakPolarHBondContact O-CB 3.41Å; K107-A111 PolarHBondContact O-N 3.37Å; A111-G113 PolarHBondContact O-N 2.86Å; A111-R114 PolarHBondContact O-N 3.45Å; A111-V115 WeakPolarHBondContact O-CG2 3.41Å; A111-V115 PolarHBondContact O-N 3.01Å; A111-F125 HydrophobicContact CB-CD2 4.19Å |
| 112 | A | 50.1 | Low | 52.7 | Low | 51 Ų | 51 | 85.7 Ų | 85.7 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L108 S109 R114 V115 F125 | L108-A112 VanDerWaalsContact O-CB 3.23Å; L108-A112 WeakPolarHBondContact O-CB 3.39Å; L108-A112 PolarHBondContact O-N 3.42Å; S109-A112 PolarHBondContact O-N 2.9Å; A112-R114 VanDerWaalsContact C-N 3.26Å; A112-R114 PolarHBondContact O-N 3.32Å; A112-V115 PolarHBondContact O-N 3.46Å; A112-F125 HydrophobicContact CB-CE2 4.09Å |
| 113 | G | 48.4 | Very low | 52.7 | Low | 70 Ų | 70 | 91.2 Ų | 91.2 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70 | -16.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S109 A111 | S109-G113 PolarHBondContact O-N 3.16Å; A111-G113 PolarHBondContact O-N 2.86Å |
| 114 | R | 51.4 | Low | 52.6 | Low | 181 Ų | 181 | 93.1 Ų | 93.1 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -3.7 | 174.4 | -82.4 | -174 | 172.2 | 126.7 | 4.1 | 114 | E110 A111 A112 G116 | E110-R114 PolarHBondContact O-N 3.08Å; E110-R114 IonicContact OE1-CZ 3.65Å; E110-R114 IonicContact OE1-NH1 3.8Å; E110-R114 PolarHBondContact OE1-NH1 3.42Å; E110-R114 IonicContact OE1-NH2 3.73Å; A111-R114 PolarHBondContact O-N 3.45Å; A112-R114 VanDerWaalsContact C-N 3.26Å; A112-R114 PolarHBondContact O-N 3.32Å; R114-G116 PolarHBondContact O-N 2.88Å |
| 115 | V | 46.4 | Very low | 52.7 | Low | 56 Ų | 56 | 91.9 Ų | 91.9 | 34% | 0.339 | 51% | 0.507 | S | S | . | . | trans | -73.1 | 74.9 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 108.8 | A111 A112 F125 | A111-V115 WeakPolarHBondContact O-CG2 3.41Å; A111-V115 PolarHBondContact O-N 3.01Å; A112-V115 PolarHBondContact O-N 3.46Å; V115-F125 HydrophobicContact CG2-CB 4.27Å; V115-F125 HydrophobicContact CG2-CG 4.5Å | ||
| 116 | G | 51 | Low | 52.8 | Low | 48 Ų | 48 | 90 Ų | 90 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | trans | -71.2 | 155.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | R114 D118 | R114-G116 PolarHBondContact O-N 2.88Å; G116-D118 PolarHBondContact O-N 3.3Å | ||
| 117 | S | 51.6 | Low | 52.9 | Low | 136 Ų | 136 | 87.6 Ų | 87.6 | 95% | 0.951 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -58.1 | 64.9 | -173.5 | 51.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 118 | D | 50.9 | Low | 52.8 | Low | 94 Ų | 94 | 84.7 Ų | 84.7 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | trans | -130.2 | 130.4 | 171.5 | -157.6 | -78.4 | 0 | 0 | 0 | 110.9 | G116 T120 S121 Q122 | G116-D118 PolarHBondContact O-N 3.3Å; D118-T120 PolarHBondContact O-N 3.42Å; D118-T120 PolarHBondContact OD1-N 2.87Å; D118-T120 PolarHBondContact OD1-OG1 3.07Å; D118-S121 PolarHBondContact O-N 3.25Å; D118-Q122 PolarHBondContact O-N 2.95Å | ||
| 119 | M | 50.6 | Low | 52.7 | Low | 133 Ų | 133 | 85.9 Ų | 85.9 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -30.4 | -174.1 | -97.4 | -82.4 | 104.3 | 0 | 0 | 113.3 | Q122 Q123 | M119-Q122 HydrophobicContact CE-CB 4.43Å; M119-Q123 PolarHBondContact O-N 3.24Å; M119-Q123 VanDerWaalsContact O-N 3.15Å |
| 120 | T | 57.2 | Low | 53 | Low | 86 Ų | 86 | 89.5 Ų | 89.5 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -40.8 | -177.9 | -44.3 | 0 | 0 | 0 | 0 | 110.9 | D118 Q123 E124 | D118-T120 PolarHBondContact O-N 3.42Å; D118-T120 PolarHBondContact OD1-N 2.87Å; D118-T120 PolarHBondContact OD1-OG1 3.07Å; T120-Q123 PolarHBondContact O-N 3.27Å; T120-E124 PolarHBondContact O-N 3.43Å; T120-E124 VanDerWaalsContact O-N 3.1Å |
| 121 | S | 54.4 | Low | 53.2 | Low | 47 Ų | 47 | 91.4 Ų | 91.4 | 33% | 0.329 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.8 | -32.7 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | D118 F125 | D118-S121 PolarHBondContact O-N 3.25Å; S121-F125 WeakPolarHBondContact O-CB 3.26Å; S121-F125 PolarHBondContact O-N 3.18Å |
| 122 | Q | 53.2 | Low | 53.3 | Low | 90 Ų | 90 | 91.4 Ų | 91.4 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70 | -34.3 | 174.7 | -155.7 | 179 | 70.1 | 0 | 0 | 112 | D118 M119 T126 | D118-Q122 PolarHBondContact O-N 2.95Å; M119-Q122 HydrophobicContact CE-CB 4.43Å; Q122-T126 WeakPolarHBondContact O-CB 3.16Å; Q122-T126 PolarHBondContact O-N 3.17Å; Q122-T126 PolarHBondContact O-OG1 3.07Å |
| 123 | Q | 56 | Low | 53.3 | Low | 150 Ų | 150 | 93.8 Ų | 93.8 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.2 | -38.6 | 175.5 | -171.1 | 174.4 | -24.4 | 0 | 0 | 112.2 | M119 T120 T126 S127 | M119-Q123 PolarHBondContact O-N 3.24Å; M119-Q123 VanDerWaalsContact O-N 3.15Å; T120-Q123 PolarHBondContact O-N 3.27Å; Q123-T126 PolarHBondContact O-N 2.91Å; Q123-S127 WeakPolarHBondContact O-CB 3.4Å; Q123-S127 PolarHBondContact O-N 3.28Å |
| 124 | E | 56.5 | Low | 53.6 | Low | 133 Ų | 133 | 93.7 Ų | 93.7 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.4 | -39.6 | 173.6 | -71.9 | -178 | 172.7 | 0 | 0 | 111.8 | T120 S127 C128 | T120-E124 PolarHBondContact O-N 3.43Å; T120-E124 VanDerWaalsContact O-N 3.1Å; E124-S127 PolarHBondContact O-N 3.25Å; E124-C128 WeakPolarHBondContact O-CB 3.3Å; E124-C128 PolarHBondContact O-N 3.19Å |
| 125 | F | 55 | Low | 53.7 | Low | 54 Ų | 54 | 87 Ų | 87 | 24% | 0.237 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 170.8 | 174.1 | -102.2 | 0 | 0 | 0 | 111.7 | L108 A111 A112 V115 S121 S127 C128 L129 | L108-F125 HydrophobicContact CD1-CD2 4.27Å; L108-F125 HydrophobicContact CD1-CE2 3.68Å; L108-F125 HydrophobicContact CD1-CZ 4.37Å; L108-F125 HydrophobicContact CG-CE2 4.44Å; A111-F125 HydrophobicContact CB-CD2 4.19Å; A112-F125 HydrophobicContact CB-CE2 4.09Å; V115-F125 HydrophobicContact CG2-CB 4.27Å; V115-F125 HydrophobicContact CG2-CG 4.5Å; S121-F125 WeakPolarHBondContact O-CB 3.26Å; S121-F125 PolarHBondContact O-N 3.18Å; F125-S127 VanDerWaalsContact C-N 3.33Å; F125-S127 PolarHBondContact O-N 3.39Å; F125-C128 PolarHBondContact O-N 2.89Å; F125-L129 HydrophobicContact CE1-CD2 4.43Å; F125-L129 VanDerWaalsContact O-CB 3.23Å; F125-L129 WeakPolarHBondContact O-CB 3.3Å; F125-L129 PolarHBondContact O-N 2.89Å |
| 126 | T | 56.6 | Low | 53.9 | Low | 79 Ų | 79 | 89.2 Ų | 89.2 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 179.1 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | Q122 Q123 K130 | Q122-T126 WeakPolarHBondContact O-CB 3.16Å; Q122-T126 PolarHBondContact O-N 3.17Å; Q122-T126 PolarHBondContact O-OG1 3.07Å; Q123-T126 PolarHBondContact O-N 2.91Å; T126-K130 WeakPolarHBondContact O-CB 3.41Å; T126-K130 PolarHBondContact O-N 3.22Å |
| 127 | S | 57.3 | Low | 53.9 | Low | 71 Ų | 71 | 89.1 Ų | 89.1 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 176.8 | -165 | 0 | 0 | 0 | 0 | 111.9 | Q123 E124 F125 K130 E131 | Q123-S127 WeakPolarHBondContact O-CB 3.4Å; Q123-S127 PolarHBondContact O-N 3.28Å; E124-S127 PolarHBondContact O-N 3.25Å; F125-S127 VanDerWaalsContact C-N 3.33Å; F125-S127 PolarHBondContact O-N 3.39Å; S127-K130 PolarHBondContact O-N 2.94Å; S127-E131 PolarHBondContact O-N 3.48Å |
| 128 | C | 53.5 | Low | 53.8 | Low | 53 Ų | 53 | 90.7 Ų | 90.7 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 177.5 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | E124 F125 K130 E131 T132 | E124-C128 WeakPolarHBondContact O-CB 3.3Å; E124-C128 PolarHBondContact O-N 3.19Å; F125-C128 PolarHBondContact O-N 2.89Å; C128-K130 VanDerWaalsContact C-N 3.32Å; C128-K130 PolarHBondContact O-N 3.23Å; C128-E131 PolarHBondContact O-N 2.89Å; C128-T132 PolarHBondContact O-N 3.36Å; C128-T132 PolarHBondContact O-OG1 2.63Å; C128-T132 VanDerWaalsContact O-OG1 3.1Å |
| 129 | L | 53.8 | Low | 53.6 | Low | 60 Ų | 60 | 92 Ų | 92 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 173.8 | -174 | 79.1 | 0 | 0 | 0 | 111.3 | L108 F125 E131 T132 L133 | L108-L129 HydrophobicContact CD1-CB 4.37Å; L108-L129 HydrophobicContact CD1-CD1 3.75Å; L108-L129 HydrophobicContact CD2-CD1 4.03Å; L108-L129 HydrophobicContact CG-CD1 4.5Å; F125-L129 HydrophobicContact CE1-CD2 4.43Å; F125-L129 VanDerWaalsContact O-CB 3.23Å; F125-L129 WeakPolarHBondContact O-CB 3.3Å; F125-L129 PolarHBondContact O-N 2.89Å; L129-E131 PolarHBondContact O-N 2.68Å; L129-T132 PolarHBondContact O-N 3.23Å; L129-L133 HydrophobicContact CG-CD1 4.18Å; L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 PolarHBondContact O-N 3.24Å |
| 130 | K | 55.8 | Low | 53.3 | Low | 147 Ų | 147 | 87.7 Ų | 87.7 | 64% | 0.639 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.9 | -37.3 | 177.9 | -178.8 | 172.8 | -178.9 | 165 | 0 | 113 | T126 S127 C128 S134 | T126-K130 WeakPolarHBondContact O-CB 3.41Å; T126-K130 PolarHBondContact O-N 3.22Å; S127-K130 PolarHBondContact O-N 2.94Å; C128-K130 VanDerWaalsContact C-N 3.32Å; C128-K130 PolarHBondContact O-N 3.23Å; K130-S134 VanDerWaalsContact O-CB 3.27Å; K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.26Å; K130-S134 PolarHBondContact O-OG 2.92Å |
| 131 | E | 56.1 | Low | 52.7 | Low | 148 Ų | 148 | 87.7 Ų | 87.7 | 69% | 0.692 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.4 | -39.6 | 176.7 | -167.7 | 127.2 | -161 | 0 | 0 | 111.1 | S127 C128 L129 S134 G135 | S127-E131 PolarHBondContact O-N 3.48Å; C128-E131 PolarHBondContact O-N 2.89Å; L129-E131 PolarHBondContact O-N 2.68Å; E131-S134 PolarHBondContact O-N 3.06Å; E131-G135 PolarHBondContact O-N 3.31Å |
| 132 | T | 53.6 | Low | 52.3 | Low | 33 Ų | 33 | 93.1 Ų | 93.1 | 20% | 0.202 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | C128 L129 S134 G135 L136 | C128-T132 PolarHBondContact O-N 3.36Å; C128-T132 PolarHBondContact O-OG1 2.63Å; C128-T132 VanDerWaalsContact O-OG1 3.1Å; L129-T132 PolarHBondContact O-N 3.23Å; T132-S134 PolarHBondContact O-N 2.97Å; T132-G135 PolarHBondContact O-N 3.48Å; T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 PolarHBondContact O-N 3.48Å |
| 133 | L | 49.2 | Very low | 51.9 | Low | 100 Ų | 100 | 95.8 Ų | 95.8 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 173.9 | -94.7 | 160.1 | 0 | 0 | 0 | 112.2 | L129 G135 L136 A137 | L129-L133 HydrophobicContact CG-CD1 4.18Å; L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 PolarHBondContact O-N 3.24Å; L133-G135 VanDerWaalsContact C-N 3.34Å; L133-L136 PolarHBondContact O-N 3.43Å; L133-A137 WeakPolarHBondContact O-CB 3.29Å; L133-A137 PolarHBondContact O-N 3.44Å |
| 134 | S | 54.6 | Low | 51.2 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -34.1 | 175 | -65.6 | 0 | 0 | 0 | 0 | 112 | K130 E131 T132 K138 | K130-S134 VanDerWaalsContact O-CB 3.27Å; K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.26Å; K130-S134 PolarHBondContact O-OG 2.92Å; E131-S134 PolarHBondContact O-N 3.06Å; T132-S134 PolarHBondContact O-N 2.97Å; S134-K138 VanDerWaalsContact O-CB 3.28Å; S134-K138 WeakPolarHBondContact O-CB 3.49Å; S134-K138 PolarHBondContact O-N 3.49Å; S134-K138 VanDerWaalsContact O-N 3.12Å |
| 135 | G | 54.8 | Low | 50.7 | Low | 40 Ų | 40 | 96.5 Ų | 96.5 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E131 T132 L133 K138 N139 | E131-G135 PolarHBondContact O-N 3.31Å; T132-G135 PolarHBondContact O-N 3.48Å; L133-G135 VanDerWaalsContact C-N 3.34Å; G135-K138 PolarHBondContact O-N 3.43Å; G135-N139 PolarHBondContact O-N 3.46Å |
| 136 | L | 50.5 | Low | 50.2 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.8 | -43.7 | 177.4 | -163.8 | 70.5 | 0 | 0 | 0 | 111.8 | T132 L133 K138 N139 A140 | T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 PolarHBondContact O-N 3.48Å; L133-L136 PolarHBondContact O-N 3.43Å; L136-K138 PolarHBondContact O-N 2.94Å; L136-N139 CarbonylContact O-C 3.33Å; L136-N139 WeakPolarHBondContact O-CB 3.33Å; L136-N139 PolarHBondContact O-N 3.44Å; L136-N139 VanDerWaalsContact O-N 3.09Å; L136-A140 WeakPolarHBondContact O-CB 3.4Å; L136-A140 PolarHBondContact O-N 3.27Å |
| 137 | A | 51.1 | Low | 49.5 | Very low | 46 Ų | 46 | 98.4 Ų | 98.4 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.1 | -31.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L133 N139 A140 T141 | L133-A137 WeakPolarHBondContact O-CB 3.29Å; L133-A137 PolarHBondContact O-N 3.44Å; A137-N139 VanDerWaalsContact C-N 3.34Å; A137-A140 CarbonylContact O-C 3.55Å; A137-A140 PolarHBondContact O-N 3.48Å; A137-T141 PolarHBondContact O-N 2.86Å; A137-T141 PolarHBondContact O-OG1 2.95Å |
| 138 | K | 48.9 | Very low | 48.7 | Very low | 169 Ų | 169 | 100.6 Ų | 100.6 | 74% | 0.735 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.5 | -27.5 | 175.7 | -159.6 | 171.8 | -172.4 | 166.4 | 0 | 112.8 | S134 G135 L136 | S134-K138 VanDerWaalsContact O-CB 3.28Å; S134-K138 WeakPolarHBondContact O-CB 3.49Å; S134-K138 PolarHBondContact O-N 3.49Å; S134-K138 VanDerWaalsContact O-N 3.12Å; G135-K138 PolarHBondContact O-N 3.43Å; L136-K138 PolarHBondContact O-N 2.94Å |
| 139 | N | 46.2 | Very low | 48.3 | Very low | 123 Ų | 123 | 100.3 Ų | 100.3 | 66% | 0.658 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -80.1 | -35.5 | 167.3 | -104.8 | -71.3 | 0 | 0 | 0 | 111.7 | G135 L136 A137 T141 | G135-N139 PolarHBondContact O-N 3.46Å; L136-N139 CarbonylContact O-C 3.33Å; L136-N139 WeakPolarHBondContact O-CB 3.33Å; L136-N139 PolarHBondContact O-N 3.44Å; L136-N139 VanDerWaalsContact O-N 3.09Å; A137-N139 VanDerWaalsContact C-N 3.34Å; N139-T141 PolarHBondContact O-N 3.05Å |
| 140 | A | 44.5 | Very low | 48 | Very low | 42 Ų | 42 | 103.5 Ų | 103.5 | 35% | 0.347 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.8 | -10.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L136 A137 D142 L143 Q144 | L136-A140 WeakPolarHBondContact O-CB 3.4Å; L136-A140 PolarHBondContact O-N 3.27Å; A137-A140 CarbonylContact O-C 3.55Å; A137-A140 PolarHBondContact O-N 3.48Å; A140-D142 PolarHBondContact O-N 2.78Å; A140-L143 WeakPolarHBondContact O-CA 3.15Å; A140-L143 PolarHBondContact O-N 3.06Å; A140-Q144 PolarHBondContact O-N 2.67Å |
| 141 | T | 46.3 | Very low | 47.7 | Very low | 86 Ų | 86 | 103.8 Ų | 103.8 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.6 | -25.3 | 174.6 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | A137 N139 L143 | A137-T141 PolarHBondContact O-N 2.86Å; A137-T141 PolarHBondContact O-OG1 2.95Å; N139-T141 PolarHBondContact O-N 3.05Å; T141-L143 VanDerWaalsContact C-N 3.28Å; T141-L143 PolarHBondContact O-N 3.13Å |
| 142 | D | 45.9 | Very low | 47.5 | Very low | 160 Ų | 160 | 101.7 Ų | 101.7 | 86% | 0.856 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -18.5 | 171.5 | -97.4 | -76.8 | 0 | 0 | 0 | 113.5 | A140 | A140-D142 PolarHBondContact O-N 2.78Š|
| 143 | L | 43.5 | Very low | 47.3 | Very low | 147 Ų | 147 | 104.8 Ų | 104.8 | 77% | 0.77 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -13.8 | 179.4 | -148.8 | 69.2 | 0 | 0 | 0 | 113.2 | A140 T141 N145 | A140-L143 WeakPolarHBondContact O-CA 3.15Å; A140-L143 PolarHBondContact O-N 3.06Å; T141-L143 VanDerWaalsContact C-N 3.28Å; T141-L143 PolarHBondContact O-N 3.13Å; L143-N145 PolarHBondContact O-N 3.15Å |
| 144 | Q | 42.5 | Very low | 47.5 | Very low | 121 Ų | 121 | 103.1 Ų | 103.1 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -76.5 | 17.3 | -172.1 | -85.6 | -172.9 | -52.8 | 0 | 0 | 116.5 | A140 S146 | A140-Q144 PolarHBondContact O-N 2.67Å; Q144-S146 PolarHBondContact O-N 3.18Å; Q144-S146 VanDerWaalsContact O-N 3.15Å |
| 145 | N | 44.6 | Very low | 47.4 | Very low | 176 Ų | 176 | 107.2 Ų | 107.2 | 94% | 0.941 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -73.5 | 3.9 | 170.6 | -122.1 | 5.3 | 0 | 0 | 0 | 113.5 | L143 | L143-N145 PolarHBondContact O-N 3.15Š|
| 146 | S | 45 | Very low | 47.3 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -106.5 | 4.6 | -177.5 | 56.6 | 0 | 0 | 0 | 0 | 115.9 | Q144 M148 | Q144-S146 PolarHBondContact O-N 3.18Å; Q144-S146 VanDerWaalsContact O-N 3.15Å; S146-M148 PolarHBondContact O-N 3.3Å |
| 147 | G | 41 | Very low | 47.3 | Very low | 73 Ų | 73 | 107.1 Ų | 107.1 | 75% | 0.753 | 59% | 0.593 | S | S | * | * | trans | 65.7 | 31.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 148 | M | 42.4 | Very low | 47.3 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | trans | -90.1 | 133.2 | 170.8 | -167.6 | 157.4 | 176.7 | 0 | 0 | 111 | S146 E152 | S146-M148 PolarHBondContact O-N 3.3Å; M148-E152 HydrophobicContact CE-CB 3.94Å; M148-E152 HydrophobicContact CG-CB 4.34Å | ||
| 149 | S | 43.9 | Very low | 47.4 | Very low | 46 Ų | 46 | 107.4 Ų | 107.4 | 32% | 0.322 | 61% | 0.608 | S | S | . | * | trans | -86.1 | 149.6 | -176.8 | 65.3 | 0 | 0 | 0 | 0 | 112.6 | E151 E152 L153 | S149-E151 PolarHBondContact O-N 3.11Å; S149-E152 PolarHBondContact N-OE2 3.5Å; S149-E152 VanDerWaalsContact N-OE2 3.15Å; S149-E152 PolarHBondContact O-N 3.35Å; S149-E152 VanDerWaalsContact OG-CD 3.31Å; S149-E152 WeakPolarHBondContact OG-CG 3.25Å; S149-E152 PolarHBondContact OG-OE2 3.29Å; S149-L153 PolarHBondContact O-N 2.95Å | ||
| 150 | D | 48 | Very low | 47.4 | Very low | 128 Ų | 128 | 104 Ų | 104 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -56.6 | -30.5 | 180 | -165.3 | -114.3 | 0 | 0 | 0 | 112.6 | T154 | D150-T154 WeakPolarHBondContact O-CB 3.43Å; D150-T154 PolarHBondContact O-N 3.2Å; D150-T154 PolarHBondContact O-OG1 2.74Å |
| 151 | E | 48.3 | Very low | 47.5 | Very low | 153 Ų | 153 | 104.7 Ų | 104.7 | 72% | 0.715 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.9 | -30.1 | 179.1 | -70.4 | 145.1 | 164.9 | 0 | 0 | 112.6 | S149 K155 | S149-E151 PolarHBondContact O-N 3.11Å; E151-K155 WeakPolarHBondContact O-CB 3.47Å; E151-K155 PolarHBondContact O-N 3.4Å |
| 152 | E | 53.6 | Low | 47.5 | Very low | 103 Ų | 103 | 106.7 Ų | 106.7 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.3 | -35 | 174.4 | -73.3 | 168.3 | 127.2 | 0 | 0 | 111.8 | M148 S149 A156 | M148-E152 HydrophobicContact CE-CB 3.94Å; M148-E152 HydrophobicContact CG-CB 4.34Å; S149-E152 PolarHBondContact N-OE2 3.5Å; S149-E152 VanDerWaalsContact N-OE2 3.15Å; S149-E152 PolarHBondContact O-N 3.35Å; S149-E152 VanDerWaalsContact OG-CD 3.31Å; S149-E152 WeakPolarHBondContact OG-CG 3.25Å; S149-E152 PolarHBondContact OG-OE2 3.29Å; E152-A156 VanDerWaalsContact O-CB 3.26Å; E152-A156 WeakPolarHBondContact O-CB 3.37Å; E152-A156 PolarHBondContact O-N 2.75Å |
| 153 | L | 49.1 | Very low | 47.3 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.6 | -45.5 | 173.9 | -166.3 | 94.4 | 0 | 0 | 0 | 111.3 | S149 K155 A156 M157 | S149-L153 PolarHBondContact O-N 2.95Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 3.41Å; L153-A156 WeakPolarHBondContact O-CB 3.18Å; L153-A156 PolarHBondContact O-N 3.37Å; L153-M157 PolarHBondContact O-N 2.99Å |
| 154 | T | 51.9 | Low | 47.5 | Very low | 65 Ų | 65 | 108.2 Ų | 108.2 | 40% | 0.399 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.9 | -42.4 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 111 | D150 M157 E158 | D150-T154 WeakPolarHBondContact O-CB 3.43Å; D150-T154 PolarHBondContact O-N 3.2Å; D150-T154 PolarHBondContact O-OG1 2.74Å; T154-M157 PolarHBondContact O-N 3.31Å; T154-E158 WeakPolarHBondContact O-CG 3.26Å; T154-E158 PolarHBondContact O-N 2.83Å |
| 155 | K | 52.7 | Low | 47.4 | Very low | 155 Ų | 155 | 105.8 Ų | 105.8 | 67% | 0.674 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.3 | -31.1 | 177.1 | -166.7 | 174.4 | -173.6 | -178.7 | 0 | 113 | E151 L153 G159 | E151-K155 WeakPolarHBondContact O-CB 3.47Å; E151-K155 PolarHBondContact O-N 3.4Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 3.41Å; K155-G159 PolarHBondContact O-N 2.91Å |
| 156 | A | 54 | Low | 46.8 | Very low | 48 Ų | 48 | 104.8 Ų | 104.8 | 40% | 0.397 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.4 | -40.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | E152 L153 G159 L160 | E152-A156 VanDerWaalsContact O-CB 3.26Å; E152-A156 WeakPolarHBondContact O-CB 3.37Å; E152-A156 PolarHBondContact O-N 2.75Å; L153-A156 WeakPolarHBondContact O-CB 3.18Å; L153-A156 PolarHBondContact O-N 3.37Å; A156-G159 PolarHBondContact O-N 3.38Å; A156-L160 WeakPolarHBondContact O-CD1 3.34Å; A156-L160 WeakPolarHBondContact O-CG 3.26Å; A156-L160 PolarHBondContact O-N 3.29Å |
| 157 | M | 49.5 | Very low | 46.6 | Very low | 93 Ų | 93 | 103.8 Ų | 103.8 | 46% | 0.458 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.6 | -41.2 | 175.1 | -75 | -177.4 | 82.8 | 0 | 0 | 113.1 | L153 T154 G159 L160 M162 | L153-M157 PolarHBondContact O-N 2.99Å; T154-M157 PolarHBondContact O-N 3.31Å; M157-G159 VanDerWaalsContact C-N 3.28Å; M157-G159 PolarHBondContact O-N 2.91Å; M157-L160 PolarHBondContact O-N 3.26Å; M157-L160 VanDerWaalsContact O-N 3.17Å; M157-M162 HydrophobicContact CE-CE 3.67Å; M157-M162 HydrophobicContact CE-SD 4.19Å |
| 158 | E | 51.2 | Low | 46.5 | Very low | 151 Ų | 151 | 108.1 Ų | 108.1 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.4 | -34.1 | 172.6 | -73.7 | 178.3 | 160.4 | 0 | 0 | 111.7 | T154 L160 | T154-E158 WeakPolarHBondContact O-CG 3.26Å; T154-E158 PolarHBondContact O-N 2.83Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 2.72Å |
| 159 | G | 51.3 | Low | 46.7 | Very low | 69 Ų | 69 | 106 Ų | 106 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.3 | -17.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | K155 A156 M157 G161 | K155-G159 PolarHBondContact O-N 2.91Å; A156-G159 PolarHBondContact O-N 3.38Å; M157-G159 VanDerWaalsContact C-N 3.28Å; M157-G159 PolarHBondContact O-N 2.91Å; G159-G161 VanDerWaalsContact C-N 3.3Å |
| 160 | L | 45.8 | Very low | 47.1 | Very low | 51 Ų | 51 | 108.3 Ų | 108.3 | 27% | 0.267 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | 6.2 | 178.5 | -73.7 | 164.9 | 0 | 0 | 0 | 113.3 | A156 M157 E158 M162 I174 | A156-L160 WeakPolarHBondContact O-CD1 3.34Å; A156-L160 WeakPolarHBondContact O-CG 3.26Å; A156-L160 PolarHBondContact O-N 3.29Å; M157-L160 PolarHBondContact O-N 3.26Å; M157-L160 VanDerWaalsContact O-N 3.17Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 2.72Å; L160-M162 VanDerWaalsContact C-N 3.33Å; L160-M162 PolarHBondContact O-N 3.13Å; L160-I174 HydrophobicContact CD2-CB 4.5Å; L160-I174 HydrophobicContact CD2-CG1 4.22Å |
| 161 | G | 46 | Very low | 47.3 | Very low | 58 Ų | 58 | 107.4 Ų | 107.4 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.4 | 26.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G159 D163 | G159-G161 VanDerWaalsContact C-N 3.3Å; G161-D163 PolarHBondContact O-N 3.49Å |
| 162 | M | 48.1 | Very low | 47.8 | Very low | 127 Ų | 127 | 101.6 Ų | 101.6 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | trans | -74.1 | 51.9 | 166.3 | -72.2 | 155.9 | 80.6 | 0 | 0 | 110.2 | M157 L160 | M157-M162 HydrophobicContact CE-CE 3.67Å; M157-M162 HydrophobicContact CE-SD 4.19Å; L160-M162 VanDerWaalsContact C-N 3.33Å; L160-M162 PolarHBondContact O-N 3.13Å | ||
| 163 | D | 40.9 | Very low | 48.2 | Very low | 150 Ų | 150 | 99.4 Ų | 99.4 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | trans | -71.4 | 129.2 | 167.8 | -169.4 | 58.4 | 0 | 0 | 0 | 108.3 | G161 G165 | G161-D163 PolarHBondContact O-N 3.49Å; D163-G165 PolarHBondContact O-N 3.07Å | ||
| 164 | E | 47.2 | Very low | 48.9 | Very low | 190 Ų | 190 | 97.6 Ų | 97.6 | 89% | 0.888 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -69.8 | 85.4 | -170.3 | -162.8 | -177.6 | 112.3 | 0 | 0 | 109.8 | ||
| 165 | G | 40.7 | Very low | 49.4 | Very low | 69 Ų | 69 | 95.7 Ų | 95.7 | 71% | 0.711 | 57% | 0.574 | S | S | * | * | trans | 149.3 | 64.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | D163 | D163-G165 PolarHBondContact O-N 3.07Š| ||
| 166 | D | 33.1 | Very low | 49.9 | Very low | 155 Ų | 155 | 91.8 Ų | 91.8 | 83% | 0.829 | 56% | 0.558 | S | S | * | * | trans | -160.8 | 134.5 | 134.2 | -155.8 | 32.7 | 0 | 0 | 0 | 109.4 | E168 | D166-E168 PolarHBondContact O-N 2.97Š| ||
| 167 | G | 39.7 | Very low | 50.7 | Low | 81 Ų | 81 | 91.5 Ų | 91.5 | 84% | 0.835 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -78.8 | 49.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 168 | E | 39.6 | Very low | 51.9 | Low | 163 Ų | 163 | 91.9 Ų | 91.9 | 76% | 0.762 | 56% | 0.556 | S | S | * | * | trans | -134.9 | 94.9 | 169.7 | -157.6 | 131 | 120 | 0 | 0 | 107.1 | D166 N170 | D166-E168 PolarHBondContact O-N 2.97Å; E168-N170 PolarHBondContact O-N 3Å | ||
| 169 | G | 46.4 | Very low | 52.8 | Low | 74 Ų | 74 | 86.6 Ų | 86.6 | 76% | 0.763 | 53% | 0.532 | S | S | * | . | trans | -65.1 | 80.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I171 | G169-I171 WeakPolarHBondContact O-CG1 3.34Å; G169-I171 PolarHBondContact O-N 3.36Å | ||
| 170 | N | 51.2 | Low | 54 | Low | 94 Ų | 94 | 87.6 Ų | 87.6 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | trans | -73 | 100.9 | -178.6 | -156.8 | 23.8 | 0 | 0 | 0 | 107.6 | E168 L172 P173 | E168-N170 PolarHBondContact O-N 3Å; N170-L172 PolarHBondContact O-N 3.43Å; N170-L172 VanDerWaalsContact OD1-CD1 3.27Å; N170-L172 WeakPolarHBondContact OD1-CD1 3.49Å; N170-L172 WeakPolarHBondContact OD1-CG 3.37Å; N170-P173 WeakPolarHBondContact O-CD 3.23Å | ||
| 171 | I | 53.4 | Low | 55.6 | Low | 108 Ų | 108 | 90 Ų | 90 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | trans | -74 | -14.9 | 179.2 | -34 | 176.5 | 0 | 0 | 0 | 110.4 | G169 I174 M175 | G169-I171 WeakPolarHBondContact O-CG1 3.34Å; G169-I171 PolarHBondContact O-N 3.36Å; I171-I174 WeakPolarHBondContact O-CB 3.27Å; I171-I174 PolarHBondContact O-N 3.28Å; I171-I174 VanDerWaalsContact O-N 3.13Å; I171-M175 HydrophobicContact CB-SD 3.99Å; I171-M175 HydrophobicContact CG2-CG 4.23Å; I171-M175 HydrophobicContact CG2-SD 3.89Å; I171-M175 WeakPolarHBondContact O-CG 3.44Å; I171-M175 PolarHBondContact O-N 3.24Å | ||
| 172 | L | 57.8 | Low | 57.2 | Low | 31 Ų | 31 | 89 Ų | 89 | 16% | 0.162 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -53.3 | -45.5 | -178.7 | -66 | 176.4 | 0 | 0 | 0 | 114.5 | N170 I174 M175 Q176 | N170-L172 PolarHBondContact O-N 3.43Å; N170-L172 VanDerWaalsContact OD1-CD1 3.27Å; N170-L172 WeakPolarHBondContact OD1-CD1 3.49Å; N170-L172 WeakPolarHBondContact OD1-CG 3.37Å; L172-I174 VanDerWaalsContact C-N 3.32Å; L172-I174 PolarHBondContact O-N 3.13Å; L172-M175 PolarHBondContact O-N 3.29Å; L172-Q176 WeakPolarHBondContact O-CB 3.43Å; L172-Q176 PolarHBondContact O-N 2.7Å |
| 173 | P | 63.4 | Low | 58.8 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 37% | 0.37 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 178.6 | -18.3 | 33.8 | 0 | 0 | 0 | 112.6 | N170 S177 | N170-P173 WeakPolarHBondContact O-CD 3.23Å; P173-S177 WeakPolarHBondContact O-CB 3.13Å; P173-S177 PolarHBondContact O-N 3.4Å |
| 174 | I | 62.9 | Low | 61 | Low | 61 Ų | 61 | 78 Ų | 78 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 177 | -55.9 | 177.4 | 0 | 0 | 0 | 109.4 | L160 I171 L172 Q176 S177 I178 | L160-I174 HydrophobicContact CD2-CB 4.5Å; L160-I174 HydrophobicContact CD2-CG1 4.22Å; I171-I174 WeakPolarHBondContact O-CB 3.27Å; I171-I174 PolarHBondContact O-N 3.28Å; I171-I174 VanDerWaalsContact O-N 3.13Å; L172-I174 VanDerWaalsContact C-N 3.32Å; L172-I174 PolarHBondContact O-N 3.13Å; I174-Q176 VanDerWaalsContact C-N 3.35Å; I174-Q176 PolarHBondContact O-N 3.29Å; I174-S177 WeakPolarHBondContact O-CB 3.39Å; I174-S177 PolarHBondContact O-N 3.27Å; I174-I178 HydrophobicContact CG2-CD1 4.09Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 3.04Å |
| 175 | M | 61.5 | Low | 63 | Low | 25 Ų | 25 | 72 Ų | 72 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 178.6 | -68.3 | 160 | 48.6 | 0 | 0 | 112 | F75 I171 L172 S177 I178 M179 | F75-M175 HydrophobicContact CB-CE 4.19Å; F75-M175 HydrophobicContact CD1-CE 3.34Å; F75-M175 HydrophobicContact CD1-SD 4.12Å; F75-M175 HydrophobicContact CD2-CE 3.17Å; F75-M175 HydrophobicContact CE1-CE 3.36Å; F75-M175 HydrophobicContact CE1-SD 4.1Å; F75-M175 HydrophobicContact CE2-CE 3.18Å; F75-M175 HydrophobicContact CG-CE 3.26Å; F75-M175 HydrophobicContact CG-SD 4.46Å; F75-M175 HydrophobicContact CZ-CE 3.3Å; F75-M175 HydrophobicContact CZ-SD 4.44Å; I171-M175 HydrophobicContact CB-SD 3.99Å; I171-M175 HydrophobicContact CG2-CG 4.23Å; I171-M175 HydrophobicContact CG2-SD 3.89Å; I171-M175 WeakPolarHBondContact O-CG 3.44Å; I171-M175 PolarHBondContact O-N 3.24Å; L172-M175 PolarHBondContact O-N 3.29Å; M175-S177 VanDerWaalsContact C-N 3.29Å; M175-S177 PolarHBondContact O-N 2.94Å; M175-I178 PolarHBondContact O-N 3.42Å; M175-M179 WeakPolarHBondContact O-CG 3.36Å; M175-M179 PolarHBondContact O-N 3.35Å |
| 176 | Q | 64.4 | Low | 65.2 | Low | 72 Ų | 72 | 75.6 Ų | 75.6 | 34% | 0.336 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 173.8 | -164.1 | -176.8 | 40.7 | 0 | 0 | 111.5 | L172 I174 Q180 | L172-Q176 WeakPolarHBondContact O-CB 3.43Å; L172-Q176 PolarHBondContact O-N 2.7Å; I174-Q176 VanDerWaalsContact C-N 3.35Å; I174-Q176 PolarHBondContact O-N 3.29Å; Q176-Q180 WeakPolarHBondContact O-CB 3.44Å; Q176-Q180 VanDerWaalsContact O-CG 3.29Å; Q176-Q180 WeakPolarHBondContact O-CG 3.34Å; Q176-Q180 PolarHBondContact O-N 2.91Å; Q176-Q180 PolarHBondContact O-NE2 2.92Å |
| 177 | S | 71.3 | Confident | 67.7 | Low | 42 Ų | 42 | 71.1 Ų | 71.1 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 112 | P173 I174 M175 Q180 N181 | P173-S177 WeakPolarHBondContact O-CB 3.13Å; P173-S177 PolarHBondContact O-N 3.4Å; I174-S177 WeakPolarHBondContact O-CB 3.39Å; I174-S177 PolarHBondContact O-N 3.27Å; M175-S177 VanDerWaalsContact C-N 3.29Å; M175-S177 PolarHBondContact O-N 2.94Å; S177-Q180 PolarHBondContact O-N 3.35Å; S177-N181 PolarHBondContact O-N 3.16Å; S177-N181 VanDerWaalsContact O-N 3.07Å; S177-N181 PolarHBondContact O-ND2 3.12Å |
| 178 | I | 73.6 | Confident | 69.9 | Low | 102 Ų | 102 | 67.4 Ų | 67.4 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 176.3 | -67.6 | 165.9 | 0 | 0 | 0 | 110.7 | I174 M175 Q180 N181 L182 | I174-I178 HydrophobicContact CG2-CD1 4.09Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 3.04Å; M175-I178 PolarHBondContact O-N 3.42Å; I178-Q180 PolarHBondContact O-N 3.15Å; I178-N181 PolarHBondContact O-N 2.74Å; I178-L182 WeakPolarHBondContact O-CB 3.49Å; I178-L182 PolarHBondContact O-N 3.39Å |
| 179 | M | 70.3 | Confident | 72.3 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 178.3 | -72.5 | -177.4 | -173.2 | 0 | 0 | 112.2 | F71 F75 M175 N181 L182 L183 | F71-M179 HydrophobicContact CD1-CE 4.35Å; F71-M179 HydrophobicContact CD1-SD 4.1Å; F71-M179 HydrophobicContact CE1-CE 4.22Å; F71-M179 HydrophobicContact CE1-SD 3.4Å; F71-M179 WeakPolarHBondContact CE1-SD 3.34Å; F71-M179 HydrophobicContact CZ-SD 3.67Å; F75-M179 HydrophobicContact CE2-CE 3.83Å; F75-M179 HydrophobicContact CZ-CE 4.38Å; M175-M179 WeakPolarHBondContact O-CG 3.36Å; M175-M179 PolarHBondContact O-N 3.35Å; M179-N181 VanDerWaalsContact C-N 3.31Å; M179-N181 PolarHBondContact O-N 3.47Å; M179-L182 PolarHBondContact O-N 3.06Å; M179-L183 WeakPolarHBondContact O-CB 3.48Å; M179-L183 WeakPolarHBondContact O-CG 3.36Å; M179-L183 PolarHBondContact O-N 2.84Å |
| 180 | Q | 76 | Confident | 74.4 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 175.1 | -80.5 | 172.7 | 88.8 | 0 | 0 | 112.4 | Q176 S177 I178 S184 F248 | Q176-Q180 WeakPolarHBondContact O-CB 3.44Å; Q176-Q180 VanDerWaalsContact O-CG 3.29Å; Q176-Q180 WeakPolarHBondContact O-CG 3.34Å; Q176-Q180 PolarHBondContact O-N 2.91Å; Q176-Q180 PolarHBondContact O-NE2 2.92Å; S177-Q180 PolarHBondContact O-N 3.35Å; I178-Q180 PolarHBondContact O-N 3.15Å; Q180-S184 PolarHBondContact O-N 3Å; Q180-F248 HydrophobicContact CB-CE2 4.29Å; Q180-F248 HydrophobicContact CB-CZ 4.37Å; Q180-F248 HydrophobicContact CG-CD2 4.45Å; Q180-F248 HydrophobicContact CG-CE1 3.96Å; Q180-F248 HydrophobicContact CG-CE2 3.81Å; Q180-F248 HydrophobicContact CG-CZ 3.52Å |
| 181 | N | 79.1 | Confident | 76.1 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 175.9 | -82.1 | -79.7 | 0 | 0 | 0 | 111.9 | S177 I178 M179 S184 V187 | S177-N181 PolarHBondContact O-N 3.16Å; S177-N181 VanDerWaalsContact O-N 3.07Å; S177-N181 PolarHBondContact O-ND2 3.12Å; I178-N181 PolarHBondContact O-N 2.74Å; M179-N181 VanDerWaalsContact C-N 3.31Å; M179-N181 PolarHBondContact O-N 3.47Å; N181-S184 VanDerWaalsContact O-CB 3.25Å; N181-S184 WeakPolarHBondContact O-CB 3.4Å; N181-S184 PolarHBondContact O-N 3.28Å; N181-S184 PolarHBondContact O-OG 3.44Å; N181-V187 WeakPolarHBondContact O-CG2 3.24Å |
| 182 | L | 79.7 | Confident | 77.8 | Confident | 37 Ų | 37 | 54 Ų | 54 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69 | -38.2 | -175.9 | -170.1 | 60.4 | 0 | 0 | 0 | 112.7 | I178 M179 S184 V187 P273 L276 | I178-L182 WeakPolarHBondContact O-CB 3.49Å; I178-L182 PolarHBondContact O-N 3.39Å; M179-L182 PolarHBondContact O-N 3.06Å; L182-S184 VanDerWaalsContact C-N 3.29Å; L182-V187 HydrophobicContact CD1-CG1 4.19Å; L182-P273 HydrophobicContact CD1-CB 4.19Å; L182-L276 HydrophobicContact CD1-CD1 4.11Å; L182-L276 HydrophobicContact CD1-CG 3.89Å; L182-L276 HydrophobicContact CD2-CD1 4.41Å; L182-L276 HydrophobicContact CD2-CD2 3.47Å; L182-L276 VanDerWaalsContact CD2-CD2 3.47Å; L182-L276 HydrophobicContact CD2-CG 3.6Å; L182-L276 HydrophobicContact CG-CD1 3.84Å; L182-L276 HydrophobicContact CG-CD2 3.77Å; L182-L276 HydrophobicContact CG-CG 3.56Å |
| 183 | L | 83.3 | Confident | 79.4 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.6 | 176.5 | -56.4 | -179.9 | 0 | 0 | 0 | 112.7 | M179 L188 F232 F248 L252 M255 L276 | M179-L183 WeakPolarHBondContact O-CB 3.48Å; M179-L183 WeakPolarHBondContact O-CG 3.36Å; M179-L183 PolarHBondContact O-N 2.84Å; L183-L188 HydrophobicContact CB-CD2 4.42Å; L183-L188 HydrophobicContact CD2-CD2 3.78Å; L183-F232 WeakPolarHBondContact O-CE1 3.23Å; L183-F232 VanDerWaalsContact O-CZ 3.26Å; L183-F232 WeakPolarHBondContact O-CZ 3.5Å; L183-F248 HydrophobicContact CB-CE2 4.07Å; L183-F248 HydrophobicContact CD1-CE2 4.2Å; L183-L252 HydrophobicContact CD1-CD1 3.8Å; L183-M255 HydrophobicContact CD2-CG 4.02Å; L183-M255 HydrophobicContact CD2-SD 4.34Å; L183-L276 HydrophobicContact CD2-CD2 4.2Å |
| 184 | S | 86.4 | Confident | 80.7 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -65.3 | 151.9 | 174 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | Q180 N181 L182 D186 V187 L188 | Q180-S184 PolarHBondContact O-N 3Å; N181-S184 VanDerWaalsContact O-CB 3.25Å; N181-S184 WeakPolarHBondContact O-CB 3.4Å; N181-S184 PolarHBondContact O-N 3.28Å; N181-S184 PolarHBondContact O-OG 3.44Å; L182-S184 VanDerWaalsContact C-N 3.29Å; S184-D186 PolarHBondContact O-N 3.16Å; S184-V187 PolarHBondContact O-N 3.4Å; S184-V187 WeakPolarHBondContact OG-CG2 3.34Å; S184-L188 WeakPolarHBondContact O-CB 3.43Å; S184-L188 PolarHBondContact O-N 3.42Å |
| 185 | K | 88.6 | Confident | 82 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53 | -44.5 | 175.5 | 178.9 | 170.2 | 175.6 | 173.5 | 0 | 111.5 | V187 Y189 F232 E235 | K185-V187 PolarHBondContact O-N 2.85Å; K185-Y189 HydrophobicContact CG-CG 4.4Å; K185-Y189 WeakPolarHBondContact O-CB 3.16Å; K185-Y189 PolarHBondContact O-N 3.07Å; K185-Y189 VanDerWaalsContact O-N 3.08Å; K185-F232 HydrophobicContact CB-CD1 3.61Å; K185-F232 HydrophobicContact CB-CE1 4.05Å; K185-F232 HydrophobicContact CB-CG 4.22Å; K185-F232 HydrophobicContact CD-CB 4.09Å; K185-F232 HydrophobicContact CD-CD1 4.49Å; K185-F232 VanDerWaalsContact CE-O 3.32Å; K185-F232 WeakPolarHBondContact CE-O 3.48Å; K185-F232 HydrophobicContact CG-CB 4.02Å; K185-F232 HydrophobicContact CG-CD1 4.07Å; K185-F232 HydrophobicContact CG-CG 4.21Å; K185-F232 PolarHBondContact NZ-O 2.84Å; K185-E235 VanDerWaalsContact CD-OE2 3.26Å; K185-E235 WeakPolarHBondContact CD-OE2 3.42Å |
| 186 | D | 86.8 | Confident | 83.4 | Confident | 146 Ų | 146 | 52.5 Ų | 52.5 | 78% | 0.781 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65 | -28.3 | -174.6 | -63.7 | -49.3 | 0 | 0 | 0 | 113.6 | S184 | S184-D186 PolarHBondContact O-N 3.16Å |
| 187 | V | 85.7 | Confident | 84.7 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -95.7 | -47.7 | -178 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | N181 L182 S184 K185 P273 | N181-V187 WeakPolarHBondContact O-CG2 3.24Å; L182-V187 HydrophobicContact CD1-CG1 4.19Å; S184-V187 PolarHBondContact O-N 3.4Å; S184-V187 WeakPolarHBondContact OG-CG2 3.34Å; K185-V187 PolarHBondContact O-N 2.85Å; V187-P273 HydrophobicContact CG1-CB 4.28Å; V187-P273 HydrophobicContact CG1-CG 4.19Å |
| 188 | L | 87.1 | Confident | 85.7 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -86.8 | -41.6 | -170.9 | -179.7 | 54.4 | 0 | 0 | 0 | 113.2 | L183 S184 S191 L192 F232 M255 L276 | L183-L188 HydrophobicContact CB-CD2 4.42Å; L183-L188 HydrophobicContact CD2-CD2 3.78Å; S184-L188 WeakPolarHBondContact O-CB 3.43Å; S184-L188 PolarHBondContact O-N 3.42Å; L188-S191 PolarHBondContact O-N 3.08Å; L188-L192 HydrophobicContact CD1-CB 4.12Å; L188-L192 HydrophobicContact CD1-CD1 3.91Å; L188-L192 HydrophobicContact CD2-CD1 4.34Å; L188-L192 HydrophobicContact CG-CB 4.33Å; L188-L192 HydrophobicContact CG-CD1 4.07Å; L188-L192 VanDerWaalsContact O-CB 3.25Å; L188-L192 WeakPolarHBondContact O-CB 3.08Å; L188-L192 PolarHBondContact O-N 3.41Å; L188-F232 HydrophobicContact CB-CE2 4.31Å; L188-F232 HydrophobicContact CB-CZ 4.32Å; L188-F232 HydrophobicContact CD2-CE2 3.96Å; L188-F232 HydrophobicContact CD2-CZ 3.98Å; L188-F232 HydrophobicContact CG-CE2 4.09Å; L188-F232 HydrophobicContact CG-CZ 4.39Å; L188-M255 HydrophobicContact CD1-CE 4.2Å; L188-M255 HydrophobicContact CD2-CE 3.56Å; L188-M255 HydrophobicContact CD2-SD 4.42Å; L188-M255 HydrophobicContact CG-CE 4.32Å; L188-L276 HydrophobicContact CD1-CD1 3.47Å; L188-L276 VanDerWaalsContact CD1-CD1 3.47Å; L188-L276 HydrophobicContact CG-CD1 4.49Å |
| 189 | Y | 90.1 | Very high | 86.6 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | -170.5 | 175 | -104.3 | 0 | 0 | 0 | 114 | K185 S191 L192 K193 C229 F232 E233 | K185-Y189 HydrophobicContact CG-CG 4.4Å; K185-Y189 WeakPolarHBondContact O-CB 3.16Å; K185-Y189 PolarHBondContact O-N 3.07Å; K185-Y189 VanDerWaalsContact O-N 3.08Å; Y189-S191 PolarHBondContact O-N 3.29Å; Y189-L192 PolarHBondContact O-N 2.7Å; Y189-K193 HydrophobicContact CE2-CB 4.34Å; Y189-K193 HydrophobicContact CE2-CD 4.31Å; Y189-K193 WeakPolarHBondContact O-CB 3.45Å; Y189-K193 PolarHBondContact O-N 2.91Å; Y189-C229 HydrophobicContact CE2-CB 4.13Å; Y189-F232 HydrophobicContact CD2-CB 3.61Å; Y189-F232 AromaticContact CD2-CD2 3.93Å; Y189-F232 HydrophobicContact CD2-CD2 3.93Å; Y189-F232 HydrophobicContact CD2-CG 4.18Å; Y189-F232 HydrophobicContact CE2-CB 4.26Å; Y189-F232 HydrophobicContact CG-CB 4.13Å; Y189-F232 HydrophobicContact CG-CD2 4.37Å; Y189-E233 HydrophobicContact CE2-CG 3.68Å; Y189-E233 VanDerWaalsContact OH-CG 3.3Å; Y189-E233 WeakPolarHBondContact OH-CG 3.29Å; Y189-E233 PolarHBondContact OH-OE1 3.37Å |
| 190 | P | 89.9 | Confident | 87.7 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.1 | -50.5 | -178 | -22.2 | 33.4 | 0 | 0 | 0 | 112 | K193 E194 | P190-K193 PolarHBondContact O-N 3.48Å; P190-E194 PolarHBondContact O-N 3.04Å; P190-E194 VanDerWaalsContact O-N 3.13Å |
| 191 | S | 87.3 | Confident | 88.6 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -46.2 | -179.3 | -45.1 | 0 | 0 | 0 | 0 | 110.9 | L188 Y189 K193 E194 I195 | L188-S191 PolarHBondContact O-N 3.08Å; Y189-S191 PolarHBondContact O-N 3.29Å; S191-K193 VanDerWaalsContact C-N 3.35Å; S191-K193 PolarHBondContact O-N 3.3Å; S191-E194 PolarHBondContact O-N 3.15Å; S191-I195 WeakPolarHBondContact O-CD1 3.44Å; S191-I195 WeakPolarHBondContact O-CG1 3.35Å; S191-I195 PolarHBondContact O-N 2.96Å; S191-I195 VanDerWaalsContact O-N 3.15Å |
| 192 | L | 89.1 | Confident | 89.3 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | -178.3 | -165.3 | 142.7 | 0 | 0 | 0 | 111.9 | L188 Y189 I195 T196 M225 I228 C229 M255 | L188-L192 HydrophobicContact CD1-CB 4.12Å; L188-L192 HydrophobicContact CD1-CD1 3.91Å; L188-L192 HydrophobicContact CD2-CD1 4.34Å; L188-L192 HydrophobicContact CG-CB 4.33Å; L188-L192 HydrophobicContact CG-CD1 4.07Å; L188-L192 VanDerWaalsContact O-CB 3.25Å; L188-L192 WeakPolarHBondContact O-CB 3.08Å; L188-L192 PolarHBondContact O-N 3.41Å; Y189-L192 PolarHBondContact O-N 2.7Å; L192-I195 PolarHBondContact O-N 2.63Å; L192-T196 WeakPolarHBondContact O-CB 3.49Å; L192-T196 PolarHBondContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 2.67Å; L192-M225 HydrophobicContact CD2-CB 3.94Å; L192-M225 HydrophobicContact CD2-CG 4.49Å; L192-M225 VanDerWaalsContact CD2-O 3.26Å; L192-M225 WeakPolarHBondContact CD2-O 3.29Å; L192-M225 HydrophobicContact CG-CB 4.46Å; L192-M225 HydrophobicContact CG-CE 4.04Å; L192-I228 HydrophobicContact CD1-CB 4.38Å; L192-I228 HydrophobicContact CD1-CD1 4.27Å; L192-I228 HydrophobicContact CD1-CG2 3.9Å; L192-I228 HydrophobicContact CD2-CB 4.17Å; L192-I228 HydrophobicContact CD2-CG2 4.14Å; L192-C229 WeakPolarHBondContact CD2-SG 3.37Å; L192-M255 HydrophobicContact CD1-CE 3.15Å |
| 193 | K | 91.8 | Very high | 89.9 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 176.9 | -175.2 | 67 | 176.4 | -165.5 | 0 | 111.5 | Y189 P190 S191 I195 T196 E197 C229 E233 | Y189-K193 HydrophobicContact CE2-CB 4.34Å; Y189-K193 HydrophobicContact CE2-CD 4.31Å; Y189-K193 WeakPolarHBondContact O-CB 3.45Å; Y189-K193 PolarHBondContact O-N 2.91Å; P190-K193 PolarHBondContact O-N 3.48Å; S191-K193 VanDerWaalsContact C-N 3.35Å; S191-K193 PolarHBondContact O-N 3.3Å; K193-I195 VanDerWaalsContact C-N 3.34Å; K193-I195 PolarHBondContact O-N 3.42Å; K193-T196 PolarHBondContact O-N 3.37Å; K193-E197 VanDerWaalsContact CE-OE1 3.31Å; K193-E197 WeakPolarHBondContact CE-OE1 3.34Å; K193-E197 WeakPolarHBondContact O-CG 3.31Å; K193-E197 PolarHBondContact O-N 3.39Å; K193-C229 HydrophobicContact CD-CB 4.34Å; K193-E233 IonicContact NZ-OE1 2.7Å; K193-E233 PolarHBondContact NZ-OE1 3.29Å |
| 194 | E | 90.2 | Very high | 90.4 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 178.8 | 175.7 | 164.2 | -162 | 0 | 0 | 111.8 | P190 S191 E197 K198 | P190-E194 PolarHBondContact O-N 3.04Å; P190-E194 VanDerWaalsContact O-N 3.13Å; S191-E194 PolarHBondContact O-N 3.15Å; E194-E197 PolarHBondContact O-N 3.02Å; E194-K198 HydrophobicContact CG-CD 4.38Å; E194-K198 WeakPolarHBondContact O-CG 3.18Å; E194-K198 PolarHBondContact O-N 3.48Å; E194-K198 WeakPolarHBondContact OE1-CE 3.44Å; E194-K198 IonicContact OE1-NZ 3.64Å; E194-K198 PolarHBondContact OE1-NZ 3.24Å |
| 195 | I | 89.1 | Confident | 90.8 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 178.8 | -58.9 | 167.2 | 0 | 0 | 0 | 109.8 | S191 L192 K193 E197 K198 Y199 M225 L268 M272 | S191-I195 WeakPolarHBondContact O-CD1 3.44Å; S191-I195 WeakPolarHBondContact O-CG1 3.35Å; S191-I195 PolarHBondContact O-N 2.96Å; S191-I195 VanDerWaalsContact O-N 3.15Å; L192-I195 PolarHBondContact O-N 2.63Å; K193-I195 VanDerWaalsContact C-N 3.34Å; K193-I195 PolarHBondContact O-N 3.42Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.37Å; I195-K198 PolarHBondContact O-N 3.02Å; I195-K198 VanDerWaalsContact O-N 3.08Å; I195-Y199 HydrophobicContact CG2-CD2 3.82Å; I195-Y199 HydrophobicContact CG2-CE2 3.57Å; I195-Y199 VanDerWaalsContact O-CD2 3.31Å; I195-Y199 WeakPolarHBondContact O-CD2 3.45Å; I195-Y199 PolarHBondContact O-N 3.26Å; I195-Y199 VanDerWaalsContact O-N 3.07Å; I195-M225 HydrophobicContact CB-CE 3.77Å; I195-M225 HydrophobicContact CG2-CE 3.59Å; I195-L268 WeakPolarHBondContact CG1-O 3.42Å; I195-L268 HydrophobicContact CG2-CB 3.99Å; I195-M272 HydrophobicContact CD1-CG 3.38Å; I195-M272 HydrophobicContact CD1-SD 4.25Å |
| 196 | T | 91.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.8 | -39.1 | 178.8 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | L192 K193 K198 Y199 P200 H222 M225 C226 | L192-T196 WeakPolarHBondContact O-CB 3.49Å; L192-T196 PolarHBondContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 2.67Å; K193-T196 PolarHBondContact O-N 3.37Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 2.9Å; T196-Y199 PolarHBondContact O-N 3.33Å; T196-P200 VanDerWaalsContact O-CD 3.29Å; T196-P200 WeakPolarHBondContact O-CD 3Å; T196-H222 PolarHBondContact O-CD2 2.82Å; T196-H222 PolarHBondContact O-NE2 3.37Å; T196-M225 HydrophobicContact CG2-CB 4.43Å; T196-M225 WeakPolarHBondContact OG1-CB 3.48Å; T196-C226 HydrophobicContact CG2-CB 4.43Å; T196-C226 WeakPolarHBondContact CG2-SG 3.4Å |
| 197 | E | 93 | Very high | 91 | Very high | 133 Ų | 133 | 60.4 Ų | 60.4 | 62% | 0.621 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69.6 | -29.4 | 178.3 | -71.7 | -177.4 | 160.4 | 0 | 0 | 113.1 | K193 E194 I195 | K193-E197 VanDerWaalsContact CE-OE1 3.31Å; K193-E197 WeakPolarHBondContact CE-OE1 3.34Å; K193-E197 WeakPolarHBondContact O-CG 3.31Å; K193-E197 PolarHBondContact O-N 3.39Å; E194-E197 PolarHBondContact O-N 3.02Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.37Å |
| 198 | K | 92 | Very high | 91.3 | Very high | 81 Ų | 81 | 67 Ų | 67 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82.1 | -23.9 | 178.1 | -66.7 | 174.1 | -172.3 | 171.1 | 0 | 113.3 | E194 I195 T196 E201 W202 L268 E271 | E194-K198 HydrophobicContact CG-CD 4.38Å; E194-K198 WeakPolarHBondContact O-CG 3.18Å; E194-K198 PolarHBondContact O-N 3.48Å; E194-K198 WeakPolarHBondContact OE1-CE 3.44Å; E194-K198 IonicContact OE1-NZ 3.64Å; E194-K198 PolarHBondContact OE1-NZ 3.24Å; I195-K198 PolarHBondContact O-N 3.02Å; I195-K198 VanDerWaalsContact O-N 3.08Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 2.9Å; K198-E201 PolarHBondContact O-N 3.12Å; K198-W202 PolarHBondContact O-N 3.07Å; K198-W202 VanDerWaalsContact O-N 3.16Å; K198-L268 HydrophobicContact CB-CD2 3.68Å; K198-E271 IonicContact NZ-OE1 2.72Å; K198-E271 IonicContact NZ-OE2 3.85Å; K198-E271 PolarHBondContact NZ-OE2 2.94Å |
| 199 | Y | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.5 | -46.9 | -176.5 | -108.9 | -85 | 0 | 0 | 0 | 115 | I195 T196 E201 W202 L203 Q221 H222 M225 P264 P265 L268 | I195-Y199 HydrophobicContact CG2-CD2 3.82Å; I195-Y199 HydrophobicContact CG2-CE2 3.57Å; I195-Y199 VanDerWaalsContact O-CD2 3.31Å; I195-Y199 WeakPolarHBondContact O-CD2 3.45Å; I195-Y199 PolarHBondContact O-N 3.26Å; I195-Y199 VanDerWaalsContact O-N 3.07Å; T196-Y199 PolarHBondContact O-N 3.33Å; Y199-E201 PolarHBondContact O-N 3.37Å; Y199-W202 PolarHBondContact O-N 3.48Å; Y199-L203 HydrophobicContact CD1-CD1 4.2Å; Y199-L203 HydrophobicContact CD1-CG 4.42Å; Y199-L203 WeakPolarHBondContact O-CB 3.45Å; Y199-L203 WeakPolarHBondContact O-CG 3.44Å; Y199-L203 PolarHBondContact O-N 3.44Å; Y199-Q221 PolarHBondContact OH-OE1 3.07Å; Y199-H222 WeakPolarHBondContact CB-CD2 3.27Å; Y199-H222 HydrophobicContact CD1-CB 3.83Å; Y199-H222 HydrophobicContact CE1-CB 4.43Å; Y199-H222 HydrophobicContact CG-CB 3.99Å; Y199-H222 AromaticContact CG-CD2 3.96Å; Y199-M225 HydrophobicContact CD2-CE 4.35Å; Y199-M225 HydrophobicContact CD2-SD 4.08Å; Y199-M225 HydrophobicContact CE2-CE 3.94Å; Y199-M225 HydrophobicContact CE2-SD 3.45Å; Y199-M225 WeakPolarHBondContact CE2-SD 3.47Å; Y199-P264 WeakPolarHBondContact OH-CA 3.41Å; Y199-P264 WeakPolarHBondContact OH-CB 3.37Å; Y199-P265 HydrophobicContact CE1-CG 4.3Å; Y199-P265 WeakPolarHBondContact OH-CD 3.31Å; Y199-L268 HydrophobicContact CD1-CD1 3.97Å; Y199-L268 HydrophobicContact CD2-CD1 3.74Å; Y199-L268 HydrophobicContact CE1-CD1 4.11Å; Y199-L268 HydrophobicContact CE2-CD1 3.87Å; Y199-L268 HydrophobicContact CG-CD1 3.79Å |
| 200 | P | 93.6 | Very high | 91.5 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | -177.4 | -26.4 | 35.2 | 0 | 0 | 0 | 113.4 | T196 Q204 | T196-P200 VanDerWaalsContact O-CD 3.29Å; T196-P200 WeakPolarHBondContact O-CD 3Å; P200-Q204 WeakPolarHBondContact O-CB 3.35Å; P200-Q204 PolarHBondContact O-N 3.33Å |
| 201 | E | 93.9 | Very high | 91.7 | Very high | 152 Ų | 152 | 70.2 Ų | 70.2 | 71% | 0.71 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.7 | -40.5 | 178 | -174.3 | 174.9 | 179 | 0 | 0 | 111.2 | K198 Y199 Q204 S205 | K198-E201 PolarHBondContact O-N 3.12Å; Y199-E201 PolarHBondContact O-N 3.37Å; E201-Q204 PolarHBondContact O-N 3.27Å; E201-S205 PolarHBondContact O-N 3.27Å; E201-S205 PolarHBondContact O-OG 2.96Å |
| 202 | W | 93.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.4 | -171.3 | 90.7 | 0 | 0 | 0 | 111.9 | K198 Y199 Q204 S205 H206 L210 Y218 P265 E267 L268 | K198-W202 PolarHBondContact O-N 3.07Å; K198-W202 VanDerWaalsContact O-N 3.16Å; Y199-W202 PolarHBondContact O-N 3.48Å; W202-Q204 VanDerWaalsContact C-N 3.35Å; W202-Q204 PolarHBondContact O-N 2.79Å; W202-S205 WeakPolarHBondContact CA-OG 3.48Å; W202-S205 PolarHBondContact O-N 3.02Å; W202-S205 PolarHBondContact O-OG 2.94Å; W202-H206 AromaticContact CD1-CE1 3.87Å; W202-H206 AromaticContact CD1-ND1 3.85Å; W202-H206 AromaticContact CD2-ND1 3.9Å; W202-H206 AromaticContact CE2-CE1 3.86Å; W202-H206 AromaticContact CE2-CG 3.86Å; W202-H206 AromaticContact CE2-ND1 3.59Å; W202-H206 HydrophobicContact CH2-CB 4.2Å; W202-H206 HydrophobicContact CZ2-CB 4.25Å; W202-H206 AromaticContact CZ2-CG 3.84Å; W202-H206 HydrophobicContact CZ3-CB 4.32Å; W202-H206 AromaticContact NE1-CE1 3.44Å; W202-H206 PolarHBondContact NE1-CE1 3.36Å; W202-H206 AromaticContact NE1-ND1 3.56Å; W202-H206 WeakPolarHBondContact O-CB 3.49Å; W202-H206 PolarHBondContact O-N 3.15Å; W202-H206 PolarHBondContact O-ND1 3.01Å; W202-H206 VanDerWaalsContact O-ND1 3.09Å; W202-L210 HydrophobicContact CH2-CD1 3.71Å; W202-L210 HydrophobicContact CH2-CD2 4.4Å; W202-L210 HydrophobicContact CZ3-CD1 3.71Å; W202-Y218 AromaticContact CH2-CD2 3.96Å; W202-Y218 HydrophobicContact CH2-CD2 3.96Å; W202-Y218 AromaticContact CH2-CE2 3.65Å; W202-Y218 HydrophobicContact CH2-CE2 3.65Å; W202-Y218 AromaticContact CZ3-CD2 3.61Å; W202-Y218 HydrophobicContact CZ3-CD2 3.61Å; W202-Y218 AromaticContact CZ3-CE2 3.82Å; W202-Y218 HydrophobicContact CZ3-CE2 3.82Å; W202-Y218 HydrophobicContact CZ3-CG 4.29Å; W202-P265 HydrophobicContact CD2-CB 4.06Å; W202-P265 HydrophobicContact CD2-CG 4.01Å; W202-P265 HydrophobicContact CE3-CB 4.22Å; W202-P265 HydrophobicContact CE3-CG 3.67Å; W202-P265 HydrophobicContact CH2-CB 3.66Å; W202-P265 HydrophobicContact CH2-CG 3.48Å; W202-P265 VanDerWaalsContact CH2-CG 3.48Å; W202-P265 HydrophobicContact CZ2-CB 3.48Å; W202-P265 VanDerWaalsContact CZ2-CB 3.48Å; W202-P265 HydrophobicContact CZ2-CG 3.85Å; W202-P265 HydrophobicContact CZ3-CB 4.03Å; W202-P265 HydrophobicContact CZ3-CG 3.39Å; W202-E267 PolarHBondContact NE1-OE1 2.94Å; W202-L268 HydrophobicContact CB-CD1 3.88Å; W202-L268 HydrophobicContact CB-CD2 4.17Å; W202-L268 HydrophobicContact CB-CG 4.33Å; W202-L268 HydrophobicContact CD2-CD1 4.18Å; W202-L268 HydrophobicContact CE3-CD1 4.49Å; W202-L268 HydrophobicContact CG-CD1 3.89Å; W202-L268 HydrophobicContact CG-CD2 4.3Å; W202-L268 HydrophobicContact CG-CG 4.1Å |
| 203 | L | 92.7 | Very high | 92 | Very high | 12 Ų | 12 | 80.9 Ų | 80.9 | 6% | 0.063 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61 | -44 | 175.8 | -76.2 | 167.8 | 0 | 0 | 0 | 111.4 | Y199 S205 H206 R207 F215 Q219 | Y199-L203 HydrophobicContact CD1-CD1 4.2Å; Y199-L203 HydrophobicContact CD1-CG 4.42Å; Y199-L203 WeakPolarHBondContact O-CB 3.45Å; Y199-L203 WeakPolarHBondContact O-CG 3.44Å; Y199-L203 PolarHBondContact O-N 3.44Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.33Å; L203-H206 PolarHBondContact O-N 3.45Å; L203-R207 WeakPolarHBondContact O-CB 3.41Å; L203-R207 PolarHBondContact O-N 3.13Å; L203-F215 HydrophobicContact CB-CE2 3.95Å; L203-F215 HydrophobicContact CB-CZ 4.32Å; L203-F215 HydrophobicContact CD2-CD2 4Å; L203-F215 HydrophobicContact CD2-CE2 3.78Å; L203-F215 HydrophobicContact CD2-CZ 4.37Å; L203-F215 HydrophobicContact CG-CE2 4.46Å; L203-F215 WeakPolarHBondContact O-CE2 3.46Å; L203-Q219 HydrophobicContact CD1-CG 4.07Å |
| 204 | Q | 93.4 | Very high | 91.9 | Very high | 160 Ų | 160 | 80.9 Ų | 80.9 | 75% | 0.748 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.8 | -40.4 | -180 | -173.8 | 171.9 | -2.6 | 0 | 0 | 112.2 | P200 E201 W202 | P200-Q204 WeakPolarHBondContact O-CB 3.35Å; P200-Q204 PolarHBondContact O-N 3.33Å; E201-Q204 PolarHBondContact O-N 3.27Å; W202-Q204 VanDerWaalsContact C-N 3.35Å; W202-Q204 PolarHBondContact O-N 2.79Å |
| 205 | S | 94.3 | Very high | 92 | Very high | 80 Ų | 80 | 78 Ų | 78 | 56% | 0.559 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -72.2 | -28.5 | 178.9 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | E201 W202 L203 | E201-S205 PolarHBondContact O-N 3.27Å; E201-S205 PolarHBondContact O-OG 2.96Å; W202-S205 WeakPolarHBondContact CA-OG 3.48Å; W202-S205 PolarHBondContact O-N 3.02Å; W202-S205 PolarHBondContact O-OG 2.94Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.33Å |
| 206 | H | 91.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 83.4 Ų | 83.4 | 22% | 0.218 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -103.6 | 4.4 | -177.4 | -68.5 | 79.6 | 0 | 0 | 0 | 114.2 | W202 L203 E208 S209 L210 E267 | W202-H206 AromaticContact CD1-CE1 3.87Å; W202-H206 AromaticContact CD1-ND1 3.85Å; W202-H206 AromaticContact CD2-ND1 3.9Å; W202-H206 AromaticContact CE2-CE1 3.86Å; W202-H206 AromaticContact CE2-CG 3.86Å; W202-H206 AromaticContact CE2-ND1 3.59Å; W202-H206 HydrophobicContact CH2-CB 4.2Å; W202-H206 HydrophobicContact CZ2-CB 4.25Å; W202-H206 AromaticContact CZ2-CG 3.84Å; W202-H206 HydrophobicContact CZ3-CB 4.32Å; W202-H206 AromaticContact NE1-CE1 3.44Å; W202-H206 PolarHBondContact NE1-CE1 3.36Å; W202-H206 AromaticContact NE1-ND1 3.56Å; W202-H206 WeakPolarHBondContact O-CB 3.49Å; W202-H206 PolarHBondContact O-N 3.15Å; W202-H206 PolarHBondContact O-ND1 3.01Å; W202-H206 VanDerWaalsContact O-ND1 3.09Å; L203-H206 PolarHBondContact O-N 3.45Å; H206-E208 VanDerWaalsContact C-N 3.27Å; H206-E208 PolarHBondContact O-N 2.97Å; H206-S209 WeakPolarHBondContact CA-OG 3.32Å; H206-S209 PolarHBondContact O-N 3.1Å; H206-S209 VanDerWaalsContact O-N 3.15Å; H206-S209 PolarHBondContact O-OG 2.97Å; H206-L210 HydrophobicContact CB-CD1 3.71Å; H206-L210 HydrophobicContact CB-CG 4.05Å; H206-L210 WeakPolarHBondContact O-CB 3.49Å; H206-L210 VanDerWaalsContact O-CG 3.31Å; H206-L210 WeakPolarHBondContact O-CG 3.45Å; H206-L210 PolarHBondContact O-N 3.35Å; H206-E267 IonicContact CE1-OE1 2.63Å; H206-E267 IonicContact NE2-OE1 2.7Å |
| 207 | R | 89.4 | Confident | 92.3 | Very high | 151 Ų | 151 | 87.7 Ų | 87.7 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -36.3 | -177.9 | -176.4 | 175.8 | 178.3 | 78.8 | 2 | 113.8 | L203 F215 | L203-R207 WeakPolarHBondContact O-CB 3.41Å; L203-R207 PolarHBondContact O-N 3.13Å; R207-F215 HydrophobicContact CB-CD2 4.36Å; R207-F215 HydrophobicContact CB-CE2 3.86Å; R207-F215 HydrophobicContact CB-CZ 4.47Å; R207-F215 HydrophobicContact CG-CD2 4.35Å; R207-F215 HydrophobicContact CG-CE2 3.94Å; R207-F215 HydrophobicContact CG-CZ 4.18Å |
| 208 | E | 91.4 | Very high | 92.3 | Very high | 199 Ų | 199 | 82.2 Ų | 82.2 | 93% | 0.93 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -19.7 | -179 | -60.1 | -163.9 | 154 | 0 | 0 | 113.3 | H206 | H206-E208 VanDerWaalsContact C-N 3.27Å; H206-E208 PolarHBondContact O-N 2.97Å |
| 209 | S | 91.5 | Very high | 92.3 | Very high | 83 Ų | 83 | 82.5 Ų | 82.5 | 58% | 0.58 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -20.7 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | H206 | H206-S209 WeakPolarHBondContact CA-OG 3.32Å; H206-S209 PolarHBondContact O-N 3.1Å; H206-S209 VanDerWaalsContact O-N 3.15Å; H206-S209 PolarHBondContact O-OG 2.97Å |
| 210 | L | 90.9 | Very high | 92.5 | Very high | 36 Ų | 36 | 87.5 Ų | 87.5 | 19% | 0.188 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -91.3 | 143.7 | -178.5 | -69.5 | 169.3 | 0 | 0 | 0 | 112.8 | W202 H206 Q214 F215 Y218 | W202-L210 HydrophobicContact CH2-CD1 3.71Å; W202-L210 HydrophobicContact CH2-CD2 4.4Å; W202-L210 HydrophobicContact CZ3-CD1 3.71Å; H206-L210 HydrophobicContact CB-CD1 3.71Å; H206-L210 HydrophobicContact CB-CG 4.05Å; H206-L210 WeakPolarHBondContact O-CB 3.49Å; H206-L210 VanDerWaalsContact O-CG 3.31Å; H206-L210 WeakPolarHBondContact O-CG 3.45Å; H206-L210 PolarHBondContact O-N 3.35Å; L210-Q214 HydrophobicContact CD2-CG 4.31Å; L210-F215 HydrophobicContact CB-CB 4.45Å; L210-F215 HydrophobicContact CD1-CD2 4.35Å; L210-Y218 HydrophobicContact CD1-CD2 3.88Å; L210-Y218 HydrophobicContact CD1-CE2 4.02Å; L210-Y218 HydrophobicContact CD2-CE2 4.05Å |
| 211 | P | 93.7 | Very high | 92.4 | Very high | 78 Ų | 78 | 84.6 Ų | 84.6 | 51% | 0.506 | 42% | 0.42 | S | S | . | . | trans | -57 | 143.5 | 164.7 | -22.2 | 33.1 | 0 | 0 | 0 | 111.1 | E213 Q214 F215 | P211-E213 VanDerWaalsContact C-N 3.28Å; P211-E213 PolarHBondContact O-N 3.31Å; P211-Q214 HydrophobicContact CB-CB 4.33Å; P211-Q214 HydrophobicContact CG-CB 4.48Å; P211-Q214 PolarHBondContact O-N 2.97Å; P211-Q214 VanDerWaalsContact O-N 3.07Å; P211-F215 PolarHBondContact O-N 3.27Å | ||
| 212 | P | 91.4 | Very high | 92.4 | Very high | 100 Ų | 100 | 79.3 Ų | 79.3 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -54.4 | -41.8 | 179.9 | -26.5 | 34.1 | 0 | 0 | 0 | 113.6 | Q214 F215 E216 | P212-Q214 VanDerWaalsContact C-N 3.35Å; P212-Q214 PolarHBondContact O-N 3.45Å; P212-F215 WeakPolarHBondContact O-CB 3.38Å; P212-F215 PolarHBondContact O-N 2.89Å; P212-E216 WeakPolarHBondContact O-CG 3.02Å; P212-E216 PolarHBondContact O-N 3Å |
| 213 | E | 91 | Very high | 92.5 | Very high | 155 Ų | 155 | 80.6 Ų | 80.6 | 72% | 0.724 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63 | -39.5 | 178.6 | -62.3 | -178.4 | 166.4 | 0 | 0 | 112.3 | P211 E216 K217 | P211-E213 VanDerWaalsContact C-N 3.28Å; P211-E213 PolarHBondContact O-N 3.31Å; E213-E216 PolarHBondContact O-N 2.82Å; E213-K217 WeakPolarHBondContact O-CG 3.4Å; E213-K217 PolarHBondContact O-N 3.38Å; E213-K217 VanDerWaalsContact O-N 3.12Å |
| 214 | Q | 89.8 | Confident | 92.6 | Very high | 56 Ų | 56 | 80.4 Ų | 80.4 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.8 | -37.2 | 177.5 | -170.7 | 62.3 | 47.2 | 0 | 0 | 111.3 | L210 P211 P212 E216 K217 Y218 | L210-Q214 HydrophobicContact CD2-CG 4.31Å; P211-Q214 HydrophobicContact CB-CB 4.33Å; P211-Q214 HydrophobicContact CG-CB 4.48Å; P211-Q214 PolarHBondContact O-N 2.97Å; P211-Q214 VanDerWaalsContact O-N 3.07Å; P212-Q214 VanDerWaalsContact C-N 3.35Å; P212-Q214 PolarHBondContact O-N 3.45Å; Q214-E216 VanDerWaalsContact C-N 3.34Å; Q214-K217 PolarHBondContact O-N 2.94Å; Q214-Y218 HydrophobicContact CG-CD2 3.97Å; Q214-Y218 HydrophobicContact CG-CE2 3.46Å; Q214-Y218 VanDerWaalsContact CG-CE2 3.46Å; Q214-Y218 PolarHBondContact NE2-OH 3.03Å; Q214-Y218 VanDerWaalsContact O-CD2 3.32Å; Q214-Y218 WeakPolarHBondContact O-CD2 3.2Å; Q214-Y218 PolarHBondContact O-N 3.42Å |
| 215 | F | 92.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 73 Ų | 73 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.1 | -175.1 | -90.7 | 0 | 0 | 0 | 111.7 | L203 R207 L210 P211 P212 Y218 Q219 | L203-F215 HydrophobicContact CB-CE2 3.95Å; L203-F215 HydrophobicContact CB-CZ 4.32Å; L203-F215 HydrophobicContact CD2-CD2 4Å; L203-F215 HydrophobicContact CD2-CE2 3.78Å; L203-F215 HydrophobicContact CD2-CZ 4.37Å; L203-F215 HydrophobicContact CG-CE2 4.46Å; L203-F215 WeakPolarHBondContact O-CE2 3.46Å; R207-F215 HydrophobicContact CB-CD2 4.36Å; R207-F215 HydrophobicContact CB-CE2 3.86Å; R207-F215 HydrophobicContact CB-CZ 4.47Å; R207-F215 HydrophobicContact CG-CD2 4.35Å; R207-F215 HydrophobicContact CG-CE2 3.94Å; R207-F215 HydrophobicContact CG-CZ 4.18Å; L210-F215 HydrophobicContact CB-CB 4.45Å; L210-F215 HydrophobicContact CD1-CD2 4.35Å; P211-F215 PolarHBondContact O-N 3.27Å; P212-F215 WeakPolarHBondContact O-CB 3.38Å; P212-F215 PolarHBondContact O-N 2.89Å; F215-Y218 PolarHBondContact O-N 3.41Å; F215-Q219 HydrophobicContact CD1-CG 4.18Å; F215-Q219 HydrophobicContact CE1-CG 3.74Å; F215-Q219 HydrophobicContact CZ-CG 4.16Å; F215-Q219 WeakPolarHBondContact O-CG 3.46Å; F215-Q219 PolarHBondContact O-N 3.33Å |
| 216 | E | 92.9 | Very high | 92.6 | Very high | 115 Ų | 115 | 70.8 Ų | 70.8 | 54% | 0.537 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 173.2 | -75 | 178.4 | -166 | 0 | 0 | 111.7 | P212 E213 Q214 Y218 Q219 E220 | P212-E216 WeakPolarHBondContact O-CG 3.02Å; P212-E216 PolarHBondContact O-N 3Å; E213-E216 PolarHBondContact O-N 2.82Å; Q214-E216 VanDerWaalsContact C-N 3.34Å; E216-Y218 VanDerWaalsContact C-N 3.34Å; E216-Y218 PolarHBondContact O-N 2.92Å; E216-Q219 WeakPolarHBondContact O-CB 3.46Å; E216-Q219 PolarHBondContact O-N 3.04Å; E216-Q219 VanDerWaalsContact O-N 3.12Å; E216-E220 PolarHBondContact O-N 2.82Å |
| 217 | K | 92.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 72.7 Ų | 72.7 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.6 | -46.7 | 175 | -73.2 | -175.9 | 178.5 | -173.7 | 0 | 112.7 | E213 Q214 Q219 E220 Q221 | E213-K217 WeakPolarHBondContact O-CG 3.4Å; E213-K217 PolarHBondContact O-N 3.38Å; E213-K217 VanDerWaalsContact O-N 3.12Å; Q214-K217 PolarHBondContact O-N 2.94Å; K217-Q219 VanDerWaalsContact C-N 3.32Å; K217-Q219 PolarHBondContact O-N 2.87Å; K217-E220 PolarHBondContact O-N 3.09Å; K217-E220 VanDerWaalsContact O-N 3.16Å; K217-Q221 WeakPolarHBondContact O-CG 3.35Å; K217-Q221 PolarHBondContact O-N 2.88Å |
| 218 | Y | 93.5 | Very high | 93 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68 | -30.3 | 179.4 | -66.5 | -38.7 | 0 | 0 | 0 | 113.5 | W202 L210 Q214 F215 E216 H222 H263 P265 | W202-Y218 AromaticContact CH2-CD2 3.96Å; W202-Y218 HydrophobicContact CH2-CD2 3.96Å; W202-Y218 AromaticContact CH2-CE2 3.65Å; W202-Y218 HydrophobicContact CH2-CE2 3.65Å; W202-Y218 AromaticContact CZ3-CD2 3.61Å; W202-Y218 HydrophobicContact CZ3-CD2 3.61Å; W202-Y218 AromaticContact CZ3-CE2 3.82Å; W202-Y218 HydrophobicContact CZ3-CE2 3.82Å; W202-Y218 HydrophobicContact CZ3-CG 4.29Å; L210-Y218 HydrophobicContact CD1-CD2 3.88Å; L210-Y218 HydrophobicContact CD1-CE2 4.02Å; L210-Y218 HydrophobicContact CD2-CE2 4.05Å; Q214-Y218 HydrophobicContact CG-CD2 3.97Å; Q214-Y218 HydrophobicContact CG-CE2 3.46Å; Q214-Y218 VanDerWaalsContact CG-CE2 3.46Å; Q214-Y218 PolarHBondContact NE2-OH 3.03Å; Q214-Y218 VanDerWaalsContact O-CD2 3.32Å; Q214-Y218 WeakPolarHBondContact O-CD2 3.2Å; Q214-Y218 PolarHBondContact O-N 3.42Å; F215-Y218 PolarHBondContact O-N 3.41Å; E216-Y218 VanDerWaalsContact C-N 3.34Å; E216-Y218 PolarHBondContact O-N 2.92Å; Y218-H222 WeakPolarHBondContact O-CB 3.23Å; Y218-H222 PolarHBondContact O-N 3.39Å; Y218-H263 WeakPolarHBondContact CE1-O 3.32Å; Y218-P265 HydrophobicContact CD1-CG 4.04Å; Y218-P265 HydrophobicContact CD2-CG 4.4Å; Y218-P265 HydrophobicContact CE1-CG 3.87Å; Y218-P265 HydrophobicContact CE2-CG 4.22Å; Y218-P265 HydrophobicContact CG-CG 4.3Å |
| 219 | Q | 93.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 170.3 | -74.6 | 179.6 | 109.9 | 0 | 0 | 111.7 | L203 F215 E216 K217 H222 S223 | L203-Q219 HydrophobicContact CD1-CG 4.07Å; F215-Q219 HydrophobicContact CD1-CG 4.18Å; F215-Q219 HydrophobicContact CE1-CG 3.74Å; F215-Q219 HydrophobicContact CZ-CG 4.16Å; F215-Q219 WeakPolarHBondContact O-CG 3.46Å; F215-Q219 PolarHBondContact O-N 3.33Å; E216-Q219 WeakPolarHBondContact O-CB 3.46Å; E216-Q219 PolarHBondContact O-N 3.04Å; E216-Q219 VanDerWaalsContact O-N 3.12Å; K217-Q219 VanDerWaalsContact C-N 3.32Å; K217-Q219 PolarHBondContact O-N 2.87Å; Q219-H222 PolarHBondContact O-N 2.98Å; Q219-S223 PolarHBondContact O-N 3.44Å |
| 220 | E | 94.7 | Very high | 93.3 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 175.8 | -70.7 | -177.7 | 172.7 | 0 | 0 | 111.1 | E216 K217 H222 S223 V224 L261 | E216-E220 PolarHBondContact O-N 2.82Å; K217-E220 PolarHBondContact O-N 3.09Å; K217-E220 VanDerWaalsContact O-N 3.16Å; E220-H222 VanDerWaalsContact C-N 3.34Å; E220-H222 PolarHBondContact O-N 3.4Å; E220-S223 WeakPolarHBondContact O-CB 3.45Å; E220-S223 PolarHBondContact O-N 3.5Å; E220-S223 VanDerWaalsContact O-N 3.08Å; E220-V224 WeakPolarHBondContact O-CG2 3.46Å; E220-V224 PolarHBondContact O-N 2.88Å; E220-L261 HydrophobicContact CB-CD1 3.72Å; E220-L261 HydrophobicContact CB-CD2 3.9Å; E220-L261 HydrophobicContact CB-CG 4.48Å; E220-L261 WeakPolarHBondContact OE2-CD2 3.2Å |
| 221 | Q | 92.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.1 | -50.2 | 174.5 | -71.8 | 178.5 | 6 | 0 | 0 | 110.5 | Y199 K217 S223 V224 M225 L258 L261 G262 H263 | Y199-Q221 PolarHBondContact OH-OE1 3.07Å; K217-Q221 WeakPolarHBondContact O-CG 3.35Å; K217-Q221 PolarHBondContact O-N 2.88Å; Q221-S223 VanDerWaalsContact C-N 3.32Å; Q221-S223 PolarHBondContact O-N 3.04Å; Q221-V224 PolarHBondContact O-N 3.45Å; Q221-M225 VanDerWaalsContact O-CG 3.24Å; Q221-M225 WeakPolarHBondContact O-CG 3.41Å; Q221-M225 PolarHBondContact O-N 2.95Å; Q221-L258 HydrophobicContact CB-CD1 3.69Å; Q221-L258 HydrophobicContact CG-CD1 3.92Å; Q221-L261 HydrophobicContact CG-CB 3.56Å; Q221-L261 HydrophobicContact CG-CD1 4.05Å; Q221-L261 HydrophobicContact CG-CG 4.43Å; Q221-L261 PolarHBondContact NE2-O 2.88Å; Q221-G262 PolarHBondContact NE2-O 2.81Å; Q221-G262 VanDerWaalsContact NE2-O 3.13Å; Q221-H263 PolarHBondContact NE2-O 3.43Å; Q221-H263 VanDerWaalsContact NE2-O 3.15Å |
| 222 | H | 94 | Very high | 93.4 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 175.2 | 173.7 | -108.1 | 0 | 0 | 0 | 112.1 | T196 Y199 Y218 Q219 E220 V224 M225 C226 | T196-H222 PolarHBondContact O-CD2 2.82Å; T196-H222 PolarHBondContact O-NE2 3.37Å; Y199-H222 WeakPolarHBondContact CB-CD2 3.27Å; Y199-H222 HydrophobicContact CD1-CB 3.83Å; Y199-H222 HydrophobicContact CE1-CB 4.43Å; Y199-H222 HydrophobicContact CG-CB 3.99Å; Y199-H222 AromaticContact CG-CD2 3.96Å; Y218-H222 WeakPolarHBondContact O-CB 3.23Å; Y218-H222 PolarHBondContact O-N 3.39Å; Q219-H222 PolarHBondContact O-N 2.98Å; E220-H222 VanDerWaalsContact C-N 3.34Å; E220-H222 PolarHBondContact O-N 3.4Å; H222-V224 PolarHBondContact O-N 3.42Å; H222-M225 PolarHBondContact O-N 3.37Å; H222-C226 VanDerWaalsContact CE1-SG 3.56Å; H222-C226 PolarHBondContact O-N 2.97Å; H222-C226 PolarHBondContact O-SG 2.79Å |
| 223 | S | 95.4 | Very high | 93.5 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.9 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | Q219 E220 Q221 C226 K227 | Q219-S223 PolarHBondContact O-N 3.44Å; E220-S223 WeakPolarHBondContact O-CB 3.45Å; E220-S223 PolarHBondContact O-N 3.5Å; E220-S223 VanDerWaalsContact O-N 3.08Å; Q221-S223 VanDerWaalsContact C-N 3.32Å; Q221-S223 PolarHBondContact O-N 3.04Å; S223-C226 PolarHBondContact O-N 3.23Å; S223-K227 WeakPolarHBondContact O-CG 3.42Å; S223-K227 PolarHBondContact O-N 2.84Å; S223-K227 VanDerWaalsContact O-N 3.13Å |
| 224 | V | 94.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | E220 Q221 H222 C226 K227 I228 L254 Q257 L258 L261 | E220-V224 WeakPolarHBondContact O-CG2 3.46Å; E220-V224 PolarHBondContact O-N 2.88Å; Q221-V224 PolarHBondContact O-N 3.45Å; H222-V224 PolarHBondContact O-N 3.42Å; V224-C226 PolarHBondContact O-N 3.29Å; V224-K227 WeakPolarHBondContact O-CB 3.23Å; V224-K227 PolarHBondContact O-N 2.86Å; V224-K227 VanDerWaalsContact O-N 3.16Å; V224-I228 HydrophobicContact CG1-CD1 4Å; V224-I228 WeakPolarHBondContact O-CG1 3.16Å; V224-I228 PolarHBondContact O-N 2.87Å; V224-L254 HydrophobicContact CG1-CB 4.09Å; V224-L254 HydrophobicContact CG1-CD2 4.22Å; V224-L254 WeakPolarHBondContact CG1-O 3.14Å; V224-Q257 HydrophobicContact CG1-CB 4.46Å; V224-Q257 HydrophobicContact CG2-CB 4.45Å; V224-L258 HydrophobicContact CB-CD1 4.36Å; V224-L258 HydrophobicContact CG1-CB 3.9Å; V224-L258 HydrophobicContact CG1-CD1 4.36Å; V224-L261 HydrophobicContact CG2-CD1 4.04Å |
| 225 | M | 92.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 175.9 | -67.4 | 171.9 | 73.8 | 0 | 0 | 112.3 | L192 I195 T196 Y199 Q221 H222 K227 I228 C229 L258 | L192-M225 HydrophobicContact CD2-CB 3.94Å; L192-M225 HydrophobicContact CD2-CG 4.49Å; L192-M225 VanDerWaalsContact CD2-O 3.26Å; L192-M225 WeakPolarHBondContact CD2-O 3.29Å; L192-M225 HydrophobicContact CG-CB 4.46Å; L192-M225 HydrophobicContact CG-CE 4.04Å; I195-M225 HydrophobicContact CB-CE 3.77Å; I195-M225 HydrophobicContact CG2-CE 3.59Å; T196-M225 HydrophobicContact CG2-CB 4.43Å; T196-M225 WeakPolarHBondContact OG1-CB 3.48Å; Y199-M225 HydrophobicContact CD2-CE 4.35Å; Y199-M225 HydrophobicContact CD2-SD 4.08Å; Y199-M225 HydrophobicContact CE2-CE 3.94Å; Y199-M225 HydrophobicContact CE2-SD 3.45Å; Y199-M225 WeakPolarHBondContact CE2-SD 3.47Å; Q221-M225 VanDerWaalsContact O-CG 3.24Å; Q221-M225 WeakPolarHBondContact O-CG 3.41Å; Q221-M225 PolarHBondContact O-N 2.95Å; H222-M225 PolarHBondContact O-N 3.37Å; M225-K227 VanDerWaalsContact C-N 3.32Å; M225-K227 PolarHBondContact O-N 3.06Å; M225-I228 PolarHBondContact O-N 3.2Å; M225-C229 PolarHBondContact O-N 2.99Å; M225-L258 HydrophobicContact CG-CD1 3.75Å; M225-L258 HydrophobicContact CG-CD2 3.68Å; M225-L258 HydrophobicContact CG-CG 4.41Å; M225-L258 HydrophobicContact SD-CD1 4.23Å; M225-L258 HydrophobicContact SD-CD2 4.41Å |
| 226 | C | 95.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.6 | -46.1 | 172.6 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | T196 H222 S223 V224 I228 C229 E230 | T196-C226 HydrophobicContact CG2-CB 4.43Å; T196-C226 WeakPolarHBondContact CG2-SG 3.4Å; H222-C226 VanDerWaalsContact CE1-SG 3.56Å; H222-C226 PolarHBondContact O-N 2.97Å; H222-C226 PolarHBondContact O-SG 2.79Å; S223-C226 PolarHBondContact O-N 3.23Å; V224-C226 PolarHBondContact O-N 3.29Å; C226-I228 VanDerWaalsContact C-N 3.29Å; C226-I228 PolarHBondContact O-N 3.5Å; C226-C229 WeakPolarHBondContact O-CB 3.25Å; C226-C229 PolarHBondContact O-N 3.39Å; C226-E230 WeakPolarHBondContact O-CG 3.14Å; C226-E230 PolarHBondContact O-N 3.38Å |
| 227 | K | 95.4 | Very high | 93 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.4 | -68.2 | 169.4 | -172.4 | 173 | 0 | 111.6 | S223 V224 M225 E230 Q231 L254 | S223-K227 WeakPolarHBondContact O-CG 3.42Å; S223-K227 PolarHBondContact O-N 2.84Å; S223-K227 VanDerWaalsContact O-N 3.13Å; V224-K227 WeakPolarHBondContact O-CB 3.23Å; V224-K227 PolarHBondContact O-N 2.86Å; V224-K227 VanDerWaalsContact O-N 3.16Å; M225-K227 VanDerWaalsContact C-N 3.32Å; M225-K227 PolarHBondContact O-N 3.06Å; K227-E230 WeakPolarHBondContact O-CB 3.44Å; K227-E230 PolarHBondContact O-N 3.24Å; K227-Q231 WeakPolarHBondContact O-CG 3.13Å; K227-Q231 PolarHBondContact O-N 3.45Å; K227-L254 HydrophobicContact CB-CD1 3.93Å; K227-L254 HydrophobicContact CB-CD2 4.19Å; K227-L254 HydrophobicContact CD-CD2 3.98Å |
| 228 | I | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 176.3 | -65.8 | 155.8 | 0 | 0 | 0 | 110.6 | L192 V224 M225 C226 E230 Q231 F232 V251 L254 M255 L258 | L192-I228 HydrophobicContact CD1-CB 4.38Å; L192-I228 HydrophobicContact CD1-CD1 4.27Å; L192-I228 HydrophobicContact CD1-CG2 3.9Å; L192-I228 HydrophobicContact CD2-CB 4.17Å; L192-I228 HydrophobicContact CD2-CG2 4.14Å; V224-I228 HydrophobicContact CG1-CD1 4Å; V224-I228 WeakPolarHBondContact O-CG1 3.16Å; V224-I228 PolarHBondContact O-N 2.87Å; M225-I228 PolarHBondContact O-N 3.2Å; C226-I228 VanDerWaalsContact C-N 3.29Å; C226-I228 PolarHBondContact O-N 3.5Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 3.4Å; I228-Q231 WeakPolarHBondContact O-CB 3.2Å; I228-Q231 PolarHBondContact O-N 2.79Å; I228-F232 HydrophobicContact CG2-CD2 3.85Å; I228-F232 HydrophobicContact CG2-CE2 3.39Å; I228-F232 HydrophobicContact CG2-CZ 4.26Å; I228-F232 VanDerWaalsContact O-CD2 3.27Å; I228-F232 WeakPolarHBondContact O-CD2 3.37Å; I228-F232 PolarHBondContact O-N 3.47Å; I228-F232 VanDerWaalsContact O-N 3.12Å; I228-V251 HydrophobicContact CG2-CG1 4.19Å; I228-L254 HydrophobicContact CD1-CB 3.86Å; I228-L254 HydrophobicContact CG1-CB 3.51Å; I228-L254 HydrophobicContact CG1-CD1 3.85Å; I228-L254 HydrophobicContact CG1-CG 4.3Å; I228-M255 HydrophobicContact CD1-CE 3.49Å; I228-M255 VanDerWaalsContact CD1-CE 3.49Å; I228-M255 HydrophobicContact CD1-CG 4.36Å; I228-M255 HydrophobicContact CD1-SD 4.48Å; I228-M255 HydrophobicContact CG1-CE 4.47Å; I228-M255 HydrophobicContact CG2-CE 4.25Å; I228-L258 HydrophobicContact CD1-CD2 4.5Å |
| 229 | C | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 172.8 | -75.7 | 0 | 0 | 0 | 0 | 111.8 | Y189 L192 K193 M225 C226 Q231 F232 E233 | Y189-C229 HydrophobicContact CE2-CB 4.13Å; L192-C229 WeakPolarHBondContact CD2-SG 3.37Å; K193-C229 HydrophobicContact CD-CB 4.34Å; M225-C229 PolarHBondContact O-N 2.99Å; C226-C229 WeakPolarHBondContact O-CB 3.25Å; C226-C229 PolarHBondContact O-N 3.39Å; C229-Q231 VanDerWaalsContact C-N 3.31Å; C229-Q231 PolarHBondContact O-N 2.69Å; C229-F232 PolarHBondContact O-N 3.05Å; C229-F232 VanDerWaalsContact O-N 3.16Å; C229-E233 WeakPolarHBondContact O-CB 3.37Å; C229-E233 VanDerWaalsContact O-CG 3.28Å; C229-E233 WeakPolarHBondContact O-CG 2.91Å; C229-E233 PolarHBondContact O-N 2.87Å |
| 230 | E | 95.3 | Very high | 92.7 | Very high | 115 Ų | 115 | 54 Ų | 54 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 178 | -71.9 | 170.6 | -171.4 | 0 | 0 | 112 | C226 K227 I228 F232 E233 A234 | C226-E230 WeakPolarHBondContact O-CG 3.14Å; C226-E230 PolarHBondContact O-N 3.38Å; K227-E230 WeakPolarHBondContact O-CB 3.44Å; K227-E230 PolarHBondContact O-N 3.24Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 3.4Å; E230-F232 VanDerWaalsContact C-N 3.34Å; E230-F232 PolarHBondContact O-N 3.05Å; E230-E233 PolarHBondContact O-N 2.94Å; E230-A234 WeakPolarHBondContact O-CB 3.12Å; E230-A234 PolarHBondContact O-N 3.23Å |
| 231 | Q | 93.7 | Very high | 92.2 | Very high | 56 Ų | 56 | 57 Ų | 57 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.6 | -69.3 | -51.5 | -42.5 | 0 | 0 | 111.5 | K227 I228 C229 E235 R247 M250 V251 L254 | K227-Q231 WeakPolarHBondContact O-CG 3.13Å; K227-Q231 PolarHBondContact O-N 3.45Å; I228-Q231 WeakPolarHBondContact O-CB 3.2Å; I228-Q231 PolarHBondContact O-N 2.79Å; C229-Q231 VanDerWaalsContact C-N 3.31Å; C229-Q231 PolarHBondContact O-N 2.69Å; Q231-E235 PolarHBondContact O-N 3.37Å; Q231-R247 HydrophobicContact CB-CG 4.23Å; Q231-R247 WeakPolarHBondContact O-CD 3.08Å; Q231-R247 PolarHBondContact O-NH1 2.93Å; Q231-M250 HydrophobicContact CG-CG 4.17Å; Q231-V251 HydrophobicContact CB-CG2 3.84Å; Q231-V251 HydrophobicContact CG-CG2 4.27Å; Q231-L254 HydrophobicContact CG-CD1 4.3Å |
| 232 | F | 92.9 | Very high | 92 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 177.6 | -69.1 | -49.4 | 0 | 0 | 0 | 112.7 | L183 K185 L188 Y189 I228 C229 E230 A234 E235 V251 | L183-F232 WeakPolarHBondContact O-CE1 3.23Å; L183-F232 VanDerWaalsContact O-CZ 3.26Å; L183-F232 WeakPolarHBondContact O-CZ 3.5Å; K185-F232 HydrophobicContact CB-CD1 3.61Å; K185-F232 HydrophobicContact CB-CE1 4.05Å; K185-F232 HydrophobicContact CB-CG 4.22Å; K185-F232 HydrophobicContact CD-CB 4.09Å; K185-F232 HydrophobicContact CD-CD1 4.49Å; K185-F232 VanDerWaalsContact CE-O 3.32Å; K185-F232 WeakPolarHBondContact CE-O 3.48Å; K185-F232 HydrophobicContact CG-CB 4.02Å; K185-F232 HydrophobicContact CG-CD1 4.07Å; K185-F232 HydrophobicContact CG-CG 4.21Å; K185-F232 PolarHBondContact NZ-O 2.84Å; L188-F232 HydrophobicContact CB-CE2 4.31Å; L188-F232 HydrophobicContact CB-CZ 4.32Å; L188-F232 HydrophobicContact CD2-CE2 3.96Å; L188-F232 HydrophobicContact CD2-CZ 3.98Å; L188-F232 HydrophobicContact CG-CE2 4.09Å; L188-F232 HydrophobicContact CG-CZ 4.39Å; Y189-F232 HydrophobicContact CD2-CB 3.61Å; Y189-F232 AromaticContact CD2-CD2 3.93Å; Y189-F232 HydrophobicContact CD2-CD2 3.93Å; Y189-F232 HydrophobicContact CD2-CG 4.18Å; Y189-F232 HydrophobicContact CE2-CB 4.26Å; Y189-F232 HydrophobicContact CG-CB 4.13Å; Y189-F232 HydrophobicContact CG-CD2 4.37Å; I228-F232 HydrophobicContact CG2-CD2 3.85Å; I228-F232 HydrophobicContact CG2-CE2 3.39Å; I228-F232 HydrophobicContact CG2-CZ 4.26Å; I228-F232 VanDerWaalsContact O-CD2 3.27Å; I228-F232 WeakPolarHBondContact O-CD2 3.37Å; I228-F232 PolarHBondContact O-N 3.47Å; I228-F232 VanDerWaalsContact O-N 3.12Å; C229-F232 PolarHBondContact O-N 3.05Å; C229-F232 VanDerWaalsContact O-N 3.16Å; E230-F232 VanDerWaalsContact C-N 3.34Å; E230-F232 PolarHBondContact O-N 3.05Å; F232-A234 VanDerWaalsContact C-N 3.3Å; F232-A234 PolarHBondContact O-N 2.78Å; F232-E235 VanDerWaalsContact O-CB 3.24Å; F232-E235 WeakPolarHBondContact O-CB 3.43Å; F232-E235 PolarHBondContact O-N 2.88Å; F232-V251 HydrophobicContact CE1-CG1 4.39Å; F232-V251 HydrophobicContact CE1-CG2 4.16Å; F232-V251 HydrophobicContact CE2-CG1 4.38Å; F232-V251 HydrophobicContact CZ-CG1 3.77Å; F232-V251 HydrophobicContact CZ-CG2 4.18Å |
| 233 | E | 93.6 | Very high | 91.8 | Very high | 90 Ų | 90 | 62.8 Ų | 62.8 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.9 | -33 | 177.5 | -72.3 | 171 | -159.7 | 0 | 0 | 112 | Y189 K193 C229 E230 E235 | Y189-E233 HydrophobicContact CE2-CG 3.68Å; Y189-E233 VanDerWaalsContact OH-CG 3.3Å; Y189-E233 WeakPolarHBondContact OH-CG 3.29Å; Y189-E233 PolarHBondContact OH-OE1 3.37Å; K193-E233 IonicContact NZ-OE1 2.7Å; K193-E233 PolarHBondContact NZ-OE1 3.29Å; C229-E233 WeakPolarHBondContact O-CB 3.37Å; C229-E233 VanDerWaalsContact O-CG 3.28Å; C229-E233 WeakPolarHBondContact O-CG 2.91Å; C229-E233 PolarHBondContact O-N 2.87Å; E230-E233 PolarHBondContact O-N 2.94Å; E233-E235 PolarHBondContact O-N 3.49Å |
| 234 | A | 92.2 | Very high | 91.3 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E230 F232 R247 | E230-A234 WeakPolarHBondContact O-CB 3.12Å; E230-A234 PolarHBondContact O-N 3.23Å; F232-A234 VanDerWaalsContact C-N 3.3Å; F232-A234 PolarHBondContact O-N 2.78Å; A234-R247 PolarHBondContact O-NH1 2.6Å; A234-R247 PolarHBondContact O-NH2 2.71Å; A234-R247 VanDerWaalsContact O-NH2 3.13Å |
| 235 | E | 90.8 | Very high | 90.7 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | trans | -73.6 | 130.3 | 176.4 | -169 | 178.7 | -180 | 0 | 0 | 111.5 | K185 Q231 F232 E233 | K185-E235 VanDerWaalsContact CD-OE2 3.26Å; K185-E235 WeakPolarHBondContact CD-OE2 3.42Å; Q231-E235 PolarHBondContact O-N 3.37Å; F232-E235 VanDerWaalsContact O-CB 3.24Å; F232-E235 WeakPolarHBondContact O-CB 3.43Å; F232-E235 PolarHBondContact O-N 2.88Å; E233-E235 PolarHBondContact O-N 3.49Å | ||
| 236 | T | 89.3 | Confident | 90.6 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | trans | -121.7 | 146.4 | 178 | 80.7 | 0 | 0 | 0 | 0 | 111 | T238 D239 | T236-T238 PolarHBondContact O-N 3.48Å; T236-T238 PolarHBondContact OG1-OG1 3.22Å; T236-D239 PolarHBondContact N-OD2 2.85Å; T236-D239 VanDerWaalsContact O-CB 3.25Å; T236-D239 WeakPolarHBondContact O-CB 3.31Å; T236-D239 PolarHBondContact O-N 3.38Å; T236-D239 VanDerWaalsContact OG1-CG 3.32Å; T236-D239 PolarHBondContact OG1-N 2.87Å; T236-D239 PolarHBondContact OG1-OD1 3.17Å | ||
| 237 | P | 83.8 | Confident | 90.3 | Very high | 136 Ų | 136 | 71.1 Ų | 71.1 | 88% | 0.883 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -7.7 | 177.2 | 28.6 | -36.1 | 0 | 0 | 0 | 113.3 | ||
| 238 | T | 90.4 | Very high | 89.8 | Confident | 126 Ų | 126 | 69.1 Ų | 69.1 | 77% | 0.773 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.6 | 174.9 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | T236 | T236-T238 PolarHBondContact O-N 3.48Å; T236-T238 PolarHBondContact OG1-OG1 3.22Å |
| 239 | D | 90.3 | Very high | 89.5 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | trans | -65.3 | 135.3 | 179.1 | -71.7 | -16.5 | 0 | 0 | 0 | 110.8 | T236 T243 Q244 R247 | T236-D239 PolarHBondContact N-OD2 2.85Å; T236-D239 VanDerWaalsContact O-CB 3.25Å; T236-D239 WeakPolarHBondContact O-CB 3.31Å; T236-D239 PolarHBondContact O-N 3.38Å; T236-D239 VanDerWaalsContact OG1-CG 3.32Å; T236-D239 PolarHBondContact OG1-N 2.87Å; T236-D239 PolarHBondContact OG1-OD1 3.17Å; D239-T243 HydrophobicContact CB-CG2 4.09Å; D239-Q244 HydrophobicContact CB-CG 4.05Å; D239-Q244 PolarHBondContact O-NE2 3.04Å; D239-R247 IonicContact OD2-CZ 2.73Å; D239-R247 IonicContact OD2-NE 3.88Å; D239-R247 IonicContact OD2-NH2 2.71Å; D239-R247 PolarHBondContact OD2-NH2 2.89Å | ||
| 240 | S | 91.8 | Very high | 89.3 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 43% | 0.427 | 41% | 0.414 | S | S | . | . | trans | -67.9 | 155.8 | 174.5 | 73.4 | 0 | 0 | 0 | 0 | 111.3 | T242 T243 Q244 | S240-T242 PolarHBondContact O-N 2.85Å; S240-T242 VanDerWaalsContact O-N 3.12Å; S240-T243 WeakPolarHBondContact O-CA 3.44Å; S240-T243 WeakPolarHBondContact O-CB 3.49Å; S240-T243 PolarHBondContact O-N 2.83Å; S240-T243 PolarHBondContact OG-N 3.19Å; S240-T243 PolarHBondContact OG-OG1 3.04Å; S240-Q244 PolarHBondContact O-N 3.22Å | ||
| 241 | E | 85.2 | Confident | 89 | Confident | 168 Ų | 168 | 70.4 Ų | 70.4 | 79% | 0.785 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -52.4 | -36.6 | 174.8 | -68.3 | 176.7 | -176.5 | 0 | 0 | 112.3 | T243 Q244 K245 | E241-T243 VanDerWaalsContact C-N 3.34Å; E241-T243 PolarHBondContact O-N 3.28Å; E241-Q244 PolarHBondContact O-N 3.02Å; E241-K245 WeakPolarHBondContact O-CB 3.46Å; E241-K245 PolarHBondContact O-N 2.73Å |
| 242 | T | 87.6 | Confident | 88.6 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 64% | 0.638 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.9 | -37 | 176.3 | -52 | 0 | 0 | 0 | 0 | 112.2 | S240 A246 | S240-T242 PolarHBondContact O-N 2.85Å; S240-T242 VanDerWaalsContact O-N 3.12Å; T242-A246 WeakPolarHBondContact O-CB 3.45Å; T242-A246 PolarHBondContact O-N 3.36Å |
| 243 | T | 89.3 | Confident | 88.3 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 36% | 0.362 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.2 | -43.2 | 176.9 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | D239 S240 E241 A246 R247 | D239-T243 HydrophobicContact CB-CG2 4.09Å; S240-T243 WeakPolarHBondContact O-CA 3.44Å; S240-T243 WeakPolarHBondContact O-CB 3.49Å; S240-T243 PolarHBondContact O-N 2.83Å; S240-T243 PolarHBondContact OG-N 3.19Å; S240-T243 PolarHBondContact OG-OG1 3.04Å; E241-T243 VanDerWaalsContact C-N 3.34Å; E241-T243 PolarHBondContact O-N 3.28Å; T243-A246 PolarHBondContact O-N 2.9Å; T243-R247 WeakPolarHBondContact O-CB 3.28Å; T243-R247 PolarHBondContact O-N 2.84Å |
| 244 | Q | 84.8 | Confident | 88.2 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 41% | 0.407 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 176.7 | -65.4 | 175.1 | 20.8 | 0 | 0 | 110.8 | D239 S240 E241 R247 F248 | D239-Q244 HydrophobicContact CB-CG 4.05Å; D239-Q244 PolarHBondContact O-NE2 3.04Å; S240-Q244 PolarHBondContact O-N 3.22Å; E241-Q244 PolarHBondContact O-N 3.02Å; Q244-R247 PolarHBondContact O-N 3.5Å; Q244-F248 PolarHBondContact O-N 3.37Å |
| 245 | K | 83.6 | Confident | 87.9 | Confident | 110 Ų | 110 | 66.6 Ų | 66.6 | 48% | 0.478 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.5 | -169.9 | 177.7 | 178 | 179 | 0 | 112.4 | E241 R247 F248 E249 | E241-K245 WeakPolarHBondContact O-CB 3.46Å; E241-K245 PolarHBondContact O-N 2.73Å; K245-R247 VanDerWaalsContact C-N 3.31Å; K245-R247 PolarHBondContact O-N 3.15Å; K245-F248 WeakPolarHBondContact O-CB 3.28Å; K245-F248 PolarHBondContact O-N 3.32Å; K245-E249 VanDerWaalsContact CE-OE1 3.23Å; K245-E249 WeakPolarHBondContact CE-OE1 3.18Å; K245-E249 WeakPolarHBondContact O-CG 3.16Å; K245-E249 PolarHBondContact O-N 3.1Å |
| 246 | A | 89.1 | Confident | 87.5 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T242 T243 M250 | T242-A246 WeakPolarHBondContact O-CB 3.45Å; T242-A246 PolarHBondContact O-N 3.36Å; T243-A246 PolarHBondContact O-N 2.9Å; A246-M250 WeakPolarHBondContact O-CB 3.17Å; A246-M250 PolarHBondContact O-N 3.24Å |
| 247 | R | 88.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 66 Ų | 66 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -44 | 174.5 | -171.4 | -170.5 | -55.1 | -76.5 | -0.9 | 111 | Q231 A234 D239 T243 Q244 K245 M250 V251 | Q231-R247 HydrophobicContact CB-CG 4.23Å; Q231-R247 WeakPolarHBondContact O-CD 3.08Å; Q231-R247 PolarHBondContact O-NH1 2.93Å; A234-R247 PolarHBondContact O-NH1 2.6Å; A234-R247 PolarHBondContact O-NH2 2.71Å; A234-R247 VanDerWaalsContact O-NH2 3.13Å; D239-R247 IonicContact OD2-CZ 2.73Å; D239-R247 IonicContact OD2-NE 3.88Å; D239-R247 IonicContact OD2-NH2 2.71Å; D239-R247 PolarHBondContact OD2-NH2 2.89Å; T243-R247 WeakPolarHBondContact O-CB 3.28Å; T243-R247 PolarHBondContact O-N 2.84Å; Q244-R247 PolarHBondContact O-N 3.5Å; K245-R247 VanDerWaalsContact C-N 3.31Å; K245-R247 PolarHBondContact O-N 3.15Å; R247-M250 WeakPolarHBondContact O-CB 3.15Å; R247-M250 PolarHBondContact O-N 3.33Å; R247-V251 WeakPolarHBondContact O-CG2 3.03Å; R247-V251 PolarHBondContact O-N 3.45Å |
| 248 | F | 86.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 19% | 0.193 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 174.8 | 175 | -99.5 | 0 | 0 | 0 | 111.8 | Q180 L183 Q244 K245 M250 V251 L252 | Q180-F248 HydrophobicContact CB-CE2 4.29Å; Q180-F248 HydrophobicContact CB-CZ 4.37Å; Q180-F248 HydrophobicContact CG-CD2 4.45Å; Q180-F248 HydrophobicContact CG-CE1 3.96Å; Q180-F248 HydrophobicContact CG-CE2 3.81Å; Q180-F248 HydrophobicContact CG-CZ 3.52Å; L183-F248 HydrophobicContact CB-CE2 4.07Å; L183-F248 HydrophobicContact CD1-CE2 4.2Å; Q244-F248 PolarHBondContact O-N 3.37Å; K245-F248 WeakPolarHBondContact O-CB 3.28Å; K245-F248 PolarHBondContact O-N 3.32Å; F248-M250 VanDerWaalsContact C-N 3.28Å; F248-M250 PolarHBondContact O-N 3.47Å; F248-V251 PolarHBondContact O-N 3.04Å; F248-L252 HydrophobicContact CE1-CD2 4.43Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 PolarHBondContact O-N 2.83Å |
| 249 | E | 86.6 | Confident | 87 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 175.5 | -72.6 | 168.8 | -167.7 | 0 | 0 | 111.9 | F64 K245 L252 D253 | F64-E249 WeakPolarHBondContact CE2-OE1 3.24Å; K245-E249 VanDerWaalsContact CE-OE1 3.23Å; K245-E249 WeakPolarHBondContact CE-OE1 3.18Å; K245-E249 WeakPolarHBondContact O-CG 3.16Å; K245-E249 PolarHBondContact O-N 3.1Å; E249-L252 PolarHBondContact O-N 3.09Å; E249-D253 PolarHBondContact O-N 3.38Å |
| 250 | M | 89.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 175.2 | -175.2 | 67.4 | 59.8 | 0 | 0 | 112.6 | Q231 A246 R247 F248 L252 D253 L254 | Q231-M250 HydrophobicContact CG-CG 4.17Å; A246-M250 WeakPolarHBondContact O-CB 3.17Å; A246-M250 PolarHBondContact O-N 3.24Å; R247-M250 WeakPolarHBondContact O-CB 3.15Å; R247-M250 PolarHBondContact O-N 3.33Å; F248-M250 VanDerWaalsContact C-N 3.28Å; F248-M250 PolarHBondContact O-N 3.47Å; M250-L252 VanDerWaalsContact C-N 3.31Å; M250-D253 PolarHBondContact O-N 3.12Å; M250-L254 HydrophobicContact CG-CD1 4.18Å; M250-L254 VanDerWaalsContact O-CG 3.3Å; M250-L254 WeakPolarHBondContact O-CG 3.23Å; M250-L254 PolarHBondContact O-N 3.31Å |
| 251 | V | 89.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 177.6 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | I228 Q231 F232 R247 F248 L254 M255 | I228-V251 HydrophobicContact CG2-CG1 4.19Å; Q231-V251 HydrophobicContact CB-CG2 3.84Å; Q231-V251 HydrophobicContact CG-CG2 4.27Å; F232-V251 HydrophobicContact CE1-CG1 4.39Å; F232-V251 HydrophobicContact CE1-CG2 4.16Å; F232-V251 HydrophobicContact CE2-CG1 4.38Å; F232-V251 HydrophobicContact CZ-CG1 3.77Å; F232-V251 HydrophobicContact CZ-CG2 4.18Å; R247-V251 WeakPolarHBondContact O-CG2 3.03Å; R247-V251 PolarHBondContact O-N 3.45Å; F248-V251 PolarHBondContact O-N 3.04Å; V251-L254 PolarHBondContact O-N 2.73Å; V251-M255 WeakPolarHBondContact O-CB 3.27Å; V251-M255 VanDerWaalsContact O-CG 3.3Å; V251-M255 WeakPolarHBondContact O-CG 3.44Å; V251-M255 PolarHBondContact O-N 2.82Å |
| 252 | L | 85.5 | Confident | 86.2 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 176 | 179.1 | 64 | 0 | 0 | 0 | 111.9 | Q67 F71 L183 F248 E249 M250 L254 M255 Q256 | Q67-L252 HydrophobicContact CG-CD2 4.33Å; Q67-L252 VanDerWaalsContact NE2-CD2 3.31Å; F71-L252 HydrophobicContact CE2-CD2 3.99Å; F71-L252 HydrophobicContact CZ-CD1 4.36Å; F71-L252 HydrophobicContact CZ-CD2 3.74Å; L183-L252 HydrophobicContact CD1-CD1 3.8Å; F248-L252 HydrophobicContact CE1-CD2 4.43Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 PolarHBondContact O-N 2.83Å; E249-L252 PolarHBondContact O-N 3.09Å; M250-L252 VanDerWaalsContact C-N 3.31Å; L252-L254 PolarHBondContact O-N 3.27Å; L252-M255 WeakPolarHBondContact O-CB 3.32Å; L252-M255 PolarHBondContact O-N 3.19Å; L252-Q256 PolarHBondContact O-N 3.42Å |
| 253 | D | 87 | Confident | 85.8 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.4 | -174.1 | 82.8 | 0 | 0 | 0 | 112.2 | E249 M250 Q256 Q257 | E249-D253 PolarHBondContact O-N 3.38Å; M250-D253 PolarHBondContact O-N 3.12Å; D253-Q256 WeakPolarHBondContact O-CB 3.16Å; D253-Q256 PolarHBondContact O-N 3.19Å; D253-Q257 WeakPolarHBondContact O-CG 3.4Å; D253-Q257 PolarHBondContact O-N 3.5Å; D253-Q257 PolarHBondContact OD2-NE2 2.79Å |
| 254 | L | 90.7 | Very high | 85.4 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 174.6 | -70.9 | 167.4 | 0 | 0 | 0 | 112 | V224 K227 I228 Q231 M250 V251 L252 Q256 Q257 L258 | V224-L254 HydrophobicContact CG1-CB 4.09Å; V224-L254 HydrophobicContact CG1-CD2 4.22Å; V224-L254 WeakPolarHBondContact CG1-O 3.14Å; K227-L254 HydrophobicContact CB-CD1 3.93Å; K227-L254 HydrophobicContact CB-CD2 4.19Å; K227-L254 HydrophobicContact CD-CD2 3.98Å; I228-L254 HydrophobicContact CD1-CB 3.86Å; I228-L254 HydrophobicContact CG1-CB 3.51Å; I228-L254 HydrophobicContact CG1-CD1 3.85Å; I228-L254 HydrophobicContact CG1-CG 4.3Å; Q231-L254 HydrophobicContact CG-CD1 4.3Å; M250-L254 HydrophobicContact CG-CD1 4.18Å; M250-L254 VanDerWaalsContact O-CG 3.3Å; M250-L254 WeakPolarHBondContact O-CG 3.23Å; M250-L254 PolarHBondContact O-N 3.31Å; V251-L254 PolarHBondContact O-N 2.73Å; L252-L254 PolarHBondContact O-N 3.27Å; L254-Q256 VanDerWaalsContact C-N 3.27Å; L254-Q256 PolarHBondContact O-N 3.48Å; L254-Q257 PolarHBondContact O-N 2.72Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 PolarHBondContact O-N 3.37Å |
| 255 | M | 85.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 173.4 | -82.6 | -75.5 | 149.6 | 0 | 0 | 111.7 | L183 L188 L192 I228 V251 L252 L258 Q259 F278 | L183-M255 HydrophobicContact CD2-CG 4.02Å; L183-M255 HydrophobicContact CD2-SD 4.34Å; L188-M255 HydrophobicContact CD1-CE 4.2Å; L188-M255 HydrophobicContact CD2-CE 3.56Å; L188-M255 HydrophobicContact CD2-SD 4.42Å; L188-M255 HydrophobicContact CG-CE 4.32Å; L192-M255 HydrophobicContact CD1-CE 3.15Å; I228-M255 HydrophobicContact CD1-CE 3.49Å; I228-M255 VanDerWaalsContact CD1-CE 3.49Å; I228-M255 HydrophobicContact CD1-CG 4.36Å; I228-M255 HydrophobicContact CD1-SD 4.48Å; I228-M255 HydrophobicContact CG1-CE 4.47Å; I228-M255 HydrophobicContact CG2-CE 4.25Å; V251-M255 WeakPolarHBondContact O-CB 3.27Å; V251-M255 VanDerWaalsContact O-CG 3.3Å; V251-M255 WeakPolarHBondContact O-CG 3.44Å; V251-M255 PolarHBondContact O-N 2.82Å; L252-M255 WeakPolarHBondContact O-CB 3.32Å; L252-M255 PolarHBondContact O-N 3.19Å; M255-L258 HydrophobicContact CE-CD2 4.17Å; M255-L258 WeakPolarHBondContact O-CB 3.17Å; M255-L258 PolarHBondContact O-N 2.77Å; M255-L258 HydrophobicContact SD-CD2 4.34Å; M255-Q259 PolarHBondContact O-N 2.73Å; M255-F278 HydrophobicContact SD-CE1 4.42Å; M255-F278 HydrophobicContact SD-CZ 3.94Å |
| 256 | Q | 82.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 46 Ų | 46 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 174.2 | -172.6 | 54.5 | 39.7 | 0 | 0 | 111.8 | F70 L252 D253 L254 L258 Q259 D260 | F70-Q256 HydrophobicContact CZ-CG 4.23Å; L252-Q256 PolarHBondContact O-N 3.42Å; D253-Q256 WeakPolarHBondContact O-CB 3.16Å; D253-Q256 PolarHBondContact O-N 3.19Å; L254-Q256 VanDerWaalsContact C-N 3.27Å; L254-Q256 PolarHBondContact O-N 3.48Å; Q256-L258 PolarHBondContact O-N 2.81Å; Q256-Q259 WeakPolarHBondContact O-CB 3.06Å; Q256-Q259 PolarHBondContact O-N 3.32Å; Q256-Q259 VanDerWaalsContact O-N 3.07Å; Q256-D260 PolarHBondContact NE2-OD1 2.75Å; Q256-D260 PolarHBondContact O-N 3.39Å |
| 257 | Q | 86.6 | Confident | 84.8 | Confident | 73 Ų | 73 | 50.3 Ų | 50.3 | 34% | 0.341 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.1 | -39.1 | 175.6 | -69.2 | 174.1 | 60.7 | 0 | 0 | 111.4 | V224 D253 L254 Q259 D260 L261 | V224-Q257 HydrophobicContact CG1-CB 4.46Å; V224-Q257 HydrophobicContact CG2-CB 4.45Å; D253-Q257 WeakPolarHBondContact O-CG 3.4Å; D253-Q257 PolarHBondContact O-N 3.5Å; D253-Q257 PolarHBondContact OD2-NE2 2.79Å; L254-Q257 PolarHBondContact O-N 2.72Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 2.75Å; Q257-D260 PolarHBondContact O-N 2.75Å; Q257-L261 VanDerWaalsContact O-CG 3.23Å; Q257-L261 WeakPolarHBondContact O-CG 3.28Å; Q257-L261 PolarHBondContact O-N 3.49Å; Q257-L261 VanDerWaalsContact O-N 3.13Å |
| 258 | L | 86.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.8 | -170.6 | 62.4 | 0 | 0 | 0 | 111.7 | Q221 V224 M225 I228 L254 M255 Q256 L261 F278 | Q221-L258 HydrophobicContact CB-CD1 3.69Å; Q221-L258 HydrophobicContact CG-CD1 3.92Å; V224-L258 HydrophobicContact CB-CD1 4.36Å; V224-L258 HydrophobicContact CG1-CB 3.9Å; V224-L258 HydrophobicContact CG1-CD1 4.36Å; M225-L258 HydrophobicContact CG-CD1 3.75Å; M225-L258 HydrophobicContact CG-CD2 3.68Å; M225-L258 HydrophobicContact CG-CG 4.41Å; M225-L258 HydrophobicContact SD-CD1 4.23Å; M225-L258 HydrophobicContact SD-CD2 4.41Å; I228-L258 HydrophobicContact CD1-CD2 4.5Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 PolarHBondContact O-N 3.37Å; M255-L258 HydrophobicContact CE-CD2 4.17Å; M255-L258 WeakPolarHBondContact O-CB 3.17Å; M255-L258 PolarHBondContact O-N 2.77Å; M255-L258 HydrophobicContact SD-CD2 4.34Å; Q256-L258 PolarHBondContact O-N 2.81Å; L258-L261 PolarHBondContact O-N 3.5Å; L258-F278 HydrophobicContact CD2-CE2 3.9Å; L258-F278 HydrophobicContact CD2-CZ 3.77Å; L258-F278 HydrophobicContact CG-CZ 4.38Å |
| 259 | Q | 80.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 176 | -175.8 | 177.8 | -11.6 | 0 | 0 | 112.2 | M255 Q256 Q257 L261 G262 | M255-Q259 PolarHBondContact O-N 2.73Å; Q256-Q259 WeakPolarHBondContact O-CB 3.06Å; Q256-Q259 PolarHBondContact O-N 3.32Å; Q256-Q259 VanDerWaalsContact O-N 3.07Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 2.75Å; Q259-L261 PolarHBondContact O-N 2.84Å; Q259-G262 WeakPolarHBondContact O-CA 3.32Å; Q259-G262 PolarHBondContact O-N 3.39Å |
| 260 | D | 82.7 | Confident | 82.3 | Confident | 114 Ų | 114 | 49 Ų | 49 | 61% | 0.61 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.3 | -29.5 | 178.1 | -66.2 | -19.4 | 0 | 0 | 0 | 112.2 | Q256 Q257 G262 | Q256-D260 PolarHBondContact NE2-OD1 2.75Å; Q256-D260 PolarHBondContact O-N 3.39Å; Q257-D260 PolarHBondContact O-N 2.75Å; D260-G262 PolarHBondContact O-N 2.87Å |
| 261 | L | 85.6 | Confident | 80.9 | Confident | 26 Ų | 26 | 48.9 Ų | 48.9 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.1 | 173.2 | -67.9 | 168.6 | 0 | 0 | 0 | 113.2 | E220 Q221 V224 Q257 L258 Q259 | E220-L261 HydrophobicContact CB-CD1 3.72Å; E220-L261 HydrophobicContact CB-CD2 3.9Å; E220-L261 HydrophobicContact CB-CG 4.48Å; E220-L261 WeakPolarHBondContact OE2-CD2 3.2Å; Q221-L261 HydrophobicContact CG-CB 3.56Å; Q221-L261 HydrophobicContact CG-CD1 4.05Å; Q221-L261 HydrophobicContact CG-CG 4.43Å; Q221-L261 PolarHBondContact NE2-O 2.88Å; V224-L261 HydrophobicContact CG2-CD1 4.04Å; Q257-L261 VanDerWaalsContact O-CG 3.23Å; Q257-L261 WeakPolarHBondContact O-CG 3.28Å; Q257-L261 PolarHBondContact O-N 3.49Å; Q257-L261 VanDerWaalsContact O-N 3.13Å; L258-L261 PolarHBondContact O-N 3.5Å; Q259-L261 PolarHBondContact O-N 2.84Å |
| 262 | G | 82.1 | Confident | 79.5 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | trans | 92.1 | -168.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q221 Q259 D260 | Q221-G262 PolarHBondContact NE2-O 2.81Å; Q221-G262 VanDerWaalsContact NE2-O 3.13Å; Q259-G262 WeakPolarHBondContact O-CA 3.32Å; Q259-G262 PolarHBondContact O-N 3.39Å; D260-G262 PolarHBondContact O-N 2.87Å | ||
| 263 | H | 78.6 | Confident | 78.2 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 144 | -175.7 | 59.5 | -91.2 | 0 | 0 | 0 | 111.9 | Y218 Q221 F278 | Y218-H263 WeakPolarHBondContact CE1-O 3.32Å; Q221-H263 PolarHBondContact NE2-O 3.43Å; Q221-H263 VanDerWaalsContact NE2-O 3.15Å; H263-F278 WeakPolarHBondContact CB-O 3.3Å |
| 264 | P | 80.9 | Confident | 76.7 | Confident | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -66 | 156.7 | 166.2 | 28.2 | -32.8 | 0 | 0 | 0 | 110.6 | Y199 K266 A269 M272 F278 | Y199-P264 WeakPolarHBondContact OH-CA 3.41Å; Y199-P264 WeakPolarHBondContact OH-CB 3.37Å; P264-K266 PolarHBondContact O-N 3.01Å; P264-A269 HydrophobicContact CB-CB 4.44Å; P264-A269 HydrophobicContact CG-CB 3.79Å; P264-M272 HydrophobicContact CG-CE 4.17Å; P264-F278 HydrophobicContact CG-CD2 3.87Å |
| 265 | P | 83.3 | Confident | 75.1 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 132.6 | 175.6 | -26.3 | 34.8 | 0 | 0 | 0 | 111.7 | Y199 W202 Y218 E267 L268 A269 | Y199-P265 HydrophobicContact CE1-CG 4.3Å; Y199-P265 WeakPolarHBondContact OH-CD 3.31Å; W202-P265 HydrophobicContact CD2-CB 4.06Å; W202-P265 HydrophobicContact CD2-CG 4.01Å; W202-P265 HydrophobicContact CE3-CB 4.22Å; W202-P265 HydrophobicContact CE3-CG 3.67Å; W202-P265 HydrophobicContact CH2-CB 3.66Å; W202-P265 HydrophobicContact CH2-CG 3.48Å; W202-P265 VanDerWaalsContact CH2-CG 3.48Å; W202-P265 HydrophobicContact CZ2-CB 3.48Å; W202-P265 VanDerWaalsContact CZ2-CB 3.48Å; W202-P265 HydrophobicContact CZ2-CG 3.85Å; W202-P265 HydrophobicContact CZ3-CB 4.03Å; W202-P265 HydrophobicContact CZ3-CG 3.39Å; Y218-P265 HydrophobicContact CD1-CG 4.04Å; Y218-P265 HydrophobicContact CD2-CG 4.4Å; Y218-P265 HydrophobicContact CE1-CG 3.87Å; Y218-P265 HydrophobicContact CE2-CG 4.22Å; Y218-P265 HydrophobicContact CG-CG 4.3Å; P265-E267 PolarHBondContact O-N 3.27Å; P265-L268 HydrophobicContact CB-CB 4.42Å; P265-L268 HydrophobicContact CB-CD1 4.21Å; P265-L268 HydrophobicContact CB-CG 4.21Å; P265-L268 HydrophobicContact CG-CD1 4.01Å; P265-L268 CarbonylContact O-C 3.6Å; P265-L268 WeakPolarHBondContact O-CA 3.07Å; P265-L268 WeakPolarHBondContact O-CB 3.45Å; P265-L268 PolarHBondContact O-N 2.9Å; P265-A269 PolarHBondContact O-N 2.78Å |
| 266 | K | 78.9 | Confident | 73.9 | Confident | 176 Ų | 176 | 54.1 Ų | 54.1 | 77% | 0.765 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.2 | -30.7 | -175.2 | -66.3 | -173.1 | 178.3 | -173.5 | 0 | 113.6 | P264 L268 | P264-K266 PolarHBondContact O-N 3.01Å; K266-L268 PolarHBondContact O-N 2.8Å |
| 267 | E | 83 | Confident | 72.7 | Confident | 141 Ų | 141 | 56.4 Ų | 56.4 | 66% | 0.659 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.2 | -24.4 | 176.2 | -63.6 | 177.8 | -83.9 | 0 | 0 | 113.1 | W202 H206 P265 | W202-E267 PolarHBondContact NE1-OE1 2.94Å; H206-E267 IonicContact CE1-OE1 2.63Å; H206-E267 IonicContact NE2-OE1 2.7Å; P265-E267 PolarHBondContact O-N 3.27Å |
| 268 | L | 80.9 | Confident | 71.2 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -100 | -27.9 | 178.3 | -60.1 | -177.6 | 0 | 0 | 0 | 112.3 | I195 K198 Y199 W202 P265 K266 G270 | I195-L268 WeakPolarHBondContact CG1-O 3.42Å; I195-L268 HydrophobicContact CG2-CB 3.99Å; K198-L268 HydrophobicContact CB-CD2 3.68Å; Y199-L268 HydrophobicContact CD1-CD1 3.97Å; Y199-L268 HydrophobicContact CD2-CD1 3.74Å; Y199-L268 HydrophobicContact CE1-CD1 4.11Å; Y199-L268 HydrophobicContact CE2-CD1 3.87Å; Y199-L268 HydrophobicContact CG-CD1 3.79Å; W202-L268 HydrophobicContact CB-CD1 3.88Å; W202-L268 HydrophobicContact CB-CD2 4.17Å; W202-L268 HydrophobicContact CB-CG 4.33Å; W202-L268 HydrophobicContact CD2-CD1 4.18Å; W202-L268 HydrophobicContact CE3-CD1 4.49Å; W202-L268 HydrophobicContact CG-CD1 3.89Å; W202-L268 HydrophobicContact CG-CD2 4.3Å; W202-L268 HydrophobicContact CG-CG 4.1Å; P265-L268 HydrophobicContact CB-CB 4.42Å; P265-L268 HydrophobicContact CB-CD1 4.21Å; P265-L268 HydrophobicContact CB-CG 4.21Å; P265-L268 HydrophobicContact CG-CD1 4.01Å; P265-L268 CarbonylContact O-C 3.6Å; P265-L268 WeakPolarHBondContact O-CA 3.07Å; P265-L268 WeakPolarHBondContact O-CB 3.45Å; P265-L268 PolarHBondContact O-N 2.9Å; K266-L268 PolarHBondContact O-N 2.8Å; L268-G270 VanDerWaalsContact C-N 3.33Å; L268-G270 PolarHBondContact O-N 3.19Å |
| 269 | A | 68.7 | Low | 69.4 | Low | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.2 | -20.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P264 P265 E271 M272 | P264-A269 HydrophobicContact CB-CB 4.44Å; P264-A269 HydrophobicContact CG-CB 3.79Å; P265-A269 PolarHBondContact O-N 2.78Å; A269-E271 PolarHBondContact O-N 3.46Å; A269-M272 PolarHBondContact O-N 2.83Å |
| 270 | G | 59 | Low | 67.5 | Low | 68 Ų | 68 | 59.7 Ų | 59.7 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 2.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | L268 | L268-G270 VanDerWaalsContact C-N 3.33Å; L268-G270 PolarHBondContact O-N 3.19Å |
| 271 | E | 60.6 | Low | 65.5 | Low | 89 Ų | 89 | 61.1 Ų | 61.1 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 8.7 | -177.3 | -67.1 | -175.8 | 134.4 | 0 | 0 | 113.8 | K198 A269 | K198-E271 IonicContact NZ-OE1 2.72Å; K198-E271 IonicContact NZ-OE2 3.85Å; K198-E271 PolarHBondContact NZ-OE2 2.94Å; A269-E271 PolarHBondContact O-N 3.46Å |
| 272 | M | 60.8 | Low | 63.5 | Low | 23 Ų | 23 | 63.1 Ų | 63.1 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -78 | 151.6 | 179.1 | -71.3 | -160 | -67.2 | 0 | 0 | 113.7 | I195 P264 A269 L276 F278 | I195-M272 HydrophobicContact CD1-CG 3.38Å; I195-M272 HydrophobicContact CD1-SD 4.25Å; P264-M272 HydrophobicContact CG-CE 4.17Å; A269-M272 PolarHBondContact O-N 2.83Å; M272-L276 WeakPolarHBondContact CE-O 3.32Å; M272-F278 HydrophobicContact CE-CB 4.4Å; M272-F278 HydrophobicContact CE-CD2 3.16Å; M272-F278 HydrophobicContact CE-CE2 3.57Å; M272-F278 HydrophobicContact CE-CG 3.99Å; M272-F278 HydrophobicContact SD-CD2 3.66Å; M272-F278 HydrophobicContact SD-CE2 3.34Å; M272-F278 WeakPolarHBondContact SD-CE2 3.3Å; M272-F278 HydrophobicContact SD-CZ 4.29Å |
| 273 | P | 57.5 | Low | 61.5 | Low | 14 Ų | 14 | 65.5 Ų | 65.5 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 145.5 | 175.1 | -22.9 | 33 | 0 | 0 | 0 | 112 | L182 V187 G275 L276 | L182-P273 HydrophobicContact CD1-CB 4.19Å; V187-P273 HydrophobicContact CG1-CB 4.28Å; V187-P273 HydrophobicContact CG1-CG 4.19Å; P273-G275 PolarHBondContact O-N 2.85Å; P273-L276 HydrophobicContact CB-CD1 4.49Å; P273-L276 HydrophobicContact CG-CD1 4.21Å; P273-L276 PolarHBondContact O-N 3.41Å |
| 274 | P | 54.6 | Low | 59.5 | Low | 120 Ų | 120 | 65.4 Ų | 65.4 | 78% | 0.779 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 131.3 | 169.4 | -22.5 | 32.3 | 0 | 0 | 0 | 110.4 | ||
| 275 | G | 57.5 | Low | 57.7 | Low | 69 Ų | 69 | 69.7 Ų | 69.7 | 71% | 0.711 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -11.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P273 | P273-G275 PolarHBondContact O-N 2.85Š|
| 276 | L | 61.1 | Low | 55.6 | Low | 18 Ų | 18 | 74.3 Ų | 74.3 | 9% | 0.094 | 44% | 0.437 | C | S | . | . | trans | -110.8 | 7.1 | 169.9 | -68.4 | -177.4 | 0 | 0 | 0 | 113.5 | L182 L183 L188 M272 P273 F278 | L182-L276 HydrophobicContact CD1-CD1 4.11Å; L182-L276 HydrophobicContact CD1-CG 3.89Å; L182-L276 HydrophobicContact CD2-CD1 4.41Å; L182-L276 HydrophobicContact CD2-CD2 3.47Å; L182-L276 VanDerWaalsContact CD2-CD2 3.47Å; L182-L276 HydrophobicContact CD2-CG 3.6Å; L182-L276 HydrophobicContact CG-CD1 3.84Å; L182-L276 HydrophobicContact CG-CD2 3.77Å; L182-L276 HydrophobicContact CG-CG 3.56Å; L183-L276 HydrophobicContact CD2-CD2 4.2Å; L188-L276 HydrophobicContact CD1-CD1 3.47Å; L188-L276 VanDerWaalsContact CD1-CD1 3.47Å; L188-L276 HydrophobicContact CG-CD1 4.49Å; M272-L276 WeakPolarHBondContact CE-O 3.32Å; P273-L276 HydrophobicContact CB-CD1 4.49Å; P273-L276 HydrophobicContact CG-CD1 4.21Å; P273-L276 PolarHBondContact O-N 3.41Å; L276-F278 PolarHBondContact O-N 3.33Å | ||
| 277 | N | 57.2 | Low | 53.4 | Low | 82 Ų | 82 | 68 Ų | 68 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | trans | -61.9 | 107.2 | 169.3 | -85.3 | -91.1 | 0 | 0 | 0 | 107.2 | D279 | N277-D279 PolarHBondContact O-N 3.4Š| ||
| 278 | F | 54.4 | Low | 51 | Low | 31 Ų | 31 | 66.5 Ų | 66.5 | 14% | 0.136 | 43% | 0.425 | C | S | . | . | trans | -68.3 | 46.2 | 176.1 | -58.2 | -67.3 | 0 | 0 | 0 | 110.9 | M255 L258 H263 P264 M272 L276 L280 | M255-F278 HydrophobicContact SD-CE1 4.42Å; M255-F278 HydrophobicContact SD-CZ 3.94Å; L258-F278 HydrophobicContact CD2-CE2 3.9Å; L258-F278 HydrophobicContact CD2-CZ 3.77Å; L258-F278 HydrophobicContact CG-CZ 4.38Å; H263-F278 WeakPolarHBondContact CB-O 3.3Å; P264-F278 HydrophobicContact CG-CD2 3.87Å; M272-F278 HydrophobicContact CE-CB 4.4Å; M272-F278 HydrophobicContact CE-CD2 3.16Å; M272-F278 HydrophobicContact CE-CE2 3.57Å; M272-F278 HydrophobicContact CE-CG 3.99Å; M272-F278 HydrophobicContact SD-CD2 3.66Å; M272-F278 HydrophobicContact SD-CE2 3.34Å; M272-F278 WeakPolarHBondContact SD-CE2 3.3Å; M272-F278 HydrophobicContact SD-CZ 4.29Å; L276-F278 PolarHBondContact O-N 3.33Å; F278-L280 PolarHBondContact O-N 2.91Å | ||
| 279 | D | 48.3 | Very low | 48.9 | Very low | 90 Ų | 90 | 72.5 Ų | 72.5 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | trans | -69.7 | 88.5 | 171.3 | -164.2 | -92.7 | 0 | 0 | 0 | 106.9 | N277 D281 A282 L283 | N277-D279 PolarHBondContact O-N 3.4Å; D279-D281 PolarHBondContact O-N 3.46Å; D279-A282 PolarHBondContact O-N 2.83Å; D279-A282 PolarHBondContact OD1-N 3.39Å; D279-L283 PolarHBondContact O-N 3Å | ||
| 280 | L | 41.6 | Very low | 47.3 | Very low | 62 Ų | 62 | 75.1 Ų | 75.1 | 33% | 0.325 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.6 | -178.3 | -173.2 | 62.7 | 0 | 0 | 0 | 111.7 | F278 L283 N284 | F278-L280 PolarHBondContact O-N 2.91Å; L280-L283 CarbonylContact O-C 3.56Å; L280-L283 PolarHBondContact O-N 3.04Å; L280-N284 WeakPolarHBondContact O-CA 3.31Å; L280-N284 WeakPolarHBondContact O-CB 3.37Å; L280-N284 PolarHBondContact O-N 2.84Å |
| 281 | D | 41.5 | Very low | 46.1 | Very low | 144 Ų | 144 | 76.6 Ų | 76.6 | 77% | 0.77 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -31.6 | 171.4 | -95.5 | -75.2 | 0 | 0 | 0 | 112 | D279 | D279-D281 PolarHBondContact O-N 3.46Š|
| 282 | A | 42.1 | Very low | 45.2 | Very low | 67 Ų | 67 | 78.8 Ų | 78.8 | 55% | 0.554 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -17.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D279 | D279-A282 PolarHBondContact O-N 2.83Å; D279-A282 PolarHBondContact OD1-N 3.39Å |
| 283 | L | 40.1 | Very low | 43.7 | Very low | 66 Ų | 66 | 80.5 Ų | 80.5 | 35% | 0.346 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -117.1 | 21.6 | -178.6 | -63.4 | 175.8 | 0 | 0 | 0 | 113 | L79 D279 L280 L285 | L79-L283 HydrophobicContact CD2-CD2 4.29Å; D279-L283 PolarHBondContact O-N 3Å; L280-L283 CarbonylContact O-C 3.56Å; L280-L283 PolarHBondContact O-N 3.04Å; L283-L285 PolarHBondContact O-N 2.7Å |
| 284 | N | 37.8 | Very low | 42.9 | Very low | 75 Ų | 75 | 87.7 Ų | 87.7 | 40% | 0.401 | 58% | 0.58 | S | S | . | * | trans | -69.1 | 90.9 | -170.6 | -166.2 | 9 | 0 | 0 | 0 | 111.4 | L280 S286 | L280-N284 WeakPolarHBondContact O-CA 3.31Å; L280-N284 WeakPolarHBondContact O-CB 3.37Å; L280-N284 PolarHBondContact O-N 2.84Å; N284-S286 PolarHBondContact ND2-O 2.85Å; N284-S286 PolarHBondContact O-N 3.19Å; N284-S286 WeakPolarHBondContact OD1-CA 3.41Å; N284-S286 VanDerWaalsContact OD1-CB 3.25Å; N284-S286 WeakPolarHBondContact OD1-CB 3.39Å; N284-S286 PolarHBondContact OD1-N 2.98Å | ||
| 285 | L | 43.1 | Very low | 42.1 | Very low | 98 Ų | 98 | 89.8 Ų | 89.8 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | trans | -70.8 | 3.7 | 166.9 | -68 | 166 | 0 | 0 | 0 | 112.7 | L74 L283 | L74-L285 HydrophobicContact CD2-CD1 3.95Å; L283-L285 PolarHBondContact O-N 2.7Å | ||
| 286 | S | 39 | Very low | 41 | Very low | 100 Ų | 100 | 92.5 Ų | 92.5 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -106 | 69.7 | 173.6 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | N284 | N284-S286 PolarHBondContact ND2-O 2.85Å; N284-S286 PolarHBondContact O-N 3.19Å; N284-S286 WeakPolarHBondContact OD1-CA 3.41Å; N284-S286 VanDerWaalsContact OD1-CB 3.25Å; N284-S286 WeakPolarHBondContact OD1-CB 3.39Å; N284-S286 PolarHBondContact OD1-N 2.98Å |
| 287 | G | 32.6 | Very low | 40 | Very low | 45 Ų | 45 | 99.6 Ų | 99.6 | 46% | 0.464 | 62% | 0.623 | S | S | . | * | trans | 66.6 | 157.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 288 | P | 31.8 | Very low | 39 | Very low | 108 Ų | 108 | 102.8 Ų | 102.8 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | trans | -64.2 | 142.7 | -173.9 | 24.4 | -32.4 | 0 | 0 | 0 | 111.8 | G290 | P288-G290 PolarHBondContact O-N 3.16Š| ||
| 289 | P | 37.1 | Very low | 38.1 | Very low | 138 Ų | 138 | 113.2 Ų | 113.2 | 90% | 0.896 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -72.7 | 90.4 | 175.5 | 30.7 | -31.9 | 0 | 0 | 0 | 108.7 | ||
| 290 | G | 35.1 | Very low | 37.6 | Very low | 70 Ų | 70 | 114.4 Ų | 114.4 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | -170.5 | 39.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P288 | P288-G290 PolarHBondContact O-N 3.16Š| ||
| 291 | A | 34.5 | Very low | 37.4 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -150.4 | 33.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 292 | S | 40.8 | Very low | 37.2 | Very low | 136 Ų | 136 | 115.7 Ų | 115.7 | 95% | 0.951 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -132.5 | 88.9 | 159.7 | -88.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 293 | G | 30.2 | Very low | 36.9 | Very low | 59 Ų | 59 | 118.5 Ų | 118.5 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | trans | 174.9 | 80.6 | -178 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 294 | E | 39.8 | Very low | 36.7 | Very low | 165 Ų | 165 | 121.8 Ų | 121.8 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | 36.1 | 135.9 | 138.6 | 63 | -174.8 | 93.4 | 0 | 0 | 121.2 | ||||
| 295 | Q | 39.7 | Very low | 36.7 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 97.8 | 98.8 | 158.5 | -55.9 | 170.6 | 45.5 | 0 | 0 | 116.9 | ||||
| 296 | C | 34.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -164.1 | 91.8 | 111.7 | -95.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 297 | L | 39.6 | Very low | 36 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -58 | 129.5 | 135.4 | -77.8 | 161.9 | 0 | 0 | 0 | 106.7 | ||||
| 298 | I | 35.5 | Very low | 36.3 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | trans | 179 | 126.4 | 134.1 | -87.9 | 149.5 | 0 | 0 | 0 | 109.1 | ||||
| 299 | M | 37 | Very low | 36.7 | Very low | 250 Ų | 250 | 138.5 Ų | 138.5 | 100% | 1.232 | 84% | 0.841 | S | S | * | * | trans | 9.4 | 0 | 154.5 | -68.6 | 178.4 | -77.7 | 0 | 0 | 120.2 |
Retrieved 299 of 299 residues in 77.2 ms
(Link to these results)