| 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 | 38.5 | Very low | 35.1 | Very low | 246 Ų | 246 | 151.5 Ų | 151.5 | 100% | 1.212 | 85% | 0.847 | S | S | * | * | 0 | 149 | 0 | -73.3 | 168.8 | 173.8 | 0 | 0 | 108 | |||||
| 2 | Y | 29.9 | Very low | 34.8 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 82% | 0.82 | 84% | 0.839 | S | S | * | * | trans | -63.6 | 162.9 | 166.9 | -79.9 | -111.9 | 0 | 0 | 0 | 110.1 | ||||
| 3 | H | 36.6 | Very low | 34.4 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.815 | 85% | 0.847 | S | S | * | * | cis | -127.4 | 161.9 | 9.6 | -75 | -95.1 | 0 | 0 | 0 | 109.1 | ||||
| 4 | G | 30.3 | Very low | 34.1 | Very low | 70 Ų | 70 | 149.1 Ų | 149.1 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | 95.1 | 127.9 | 51.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 5 | M | 34.2 | Very low | 34 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 98% | 0.98 | 83% | 0.828 | S | S | * | * | cis | -138.5 | 172.3 | 24 | -68 | 174.9 | 166.3 | 0 | 0 | 113.4 | ||||
| 6 | N | 33 | Very low | 33.8 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -117.5 | 173 | -171.5 | -130.9 | 23.1 | 0 | 0 | 0 | 112.8 | ||||
| 7 | P | 55 | Low | 33.7 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 68% | 0.675 | 83% | 0.826 | S | S | * | * | trans | -109 | -148.5 | -160.8 | 44.9 | -40.4 | 0 | 0 | 0 | 115.5 | ||||
| 8 | S | 32.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 152.3 Ų | 152.3 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | 91.8 | 154.6 | 176.9 | 84.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 9 | N | 32.8 | Very low | 33.1 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | cis | -157.9 | 169 | -3.5 | -135.4 | 23.4 | 0 | 0 | 0 | 109.3 | ||||
| 10 | G | 30.8 | Very low | 33 | Very low | 75 Ų | 75 | 152.2 Ų | 152.2 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 178.6 | 84.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 11 | D | 32.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -74.5 | 160.7 | 165.9 | -85.1 | -57.7 | 0 | 0 | 0 | 112.3 | ||||
| 12 | G | 31.4 | Very low | 32.4 | Very low | 72 Ų | 72 | 148.9 Ų | 148.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -84.4 | -172.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 13 | F | 29.5 | Very low | 32.8 | Very low | 215 Ų | 215 | 145 Ų | 145 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -148.4 | 151.2 | 168.3 | -144.5 | -99.8 | 0 | 0 | 0 | 113.2 | ||||
| 14 | L | 30.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -100.4 | 173.8 | -174.6 | -137.2 | 76 | 0 | 0 | 0 | 111.8 | ||||
| 15 | E | 31.7 | Very low | 33 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 68.2 | 105 | 153.9 | -75.9 | 172.5 | 102.8 | 0 | 0 | 122.1 | ||||
| 16 | Q | 31.2 | Very low | 33.7 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | 43.9 | 122.8 | 113.7 | -85.7 | 176.7 | -18.5 | 0 | 0 | 122.8 | |||||
| 17 | Q | 32.6 | Very low | 34.7 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 9.2 | 130.1 | 140.5 | -60 | -171.7 | -30.7 | 0 | 0 | 120.2 | ||||
| 18 | L | 28.8 | Very low | 34.6 | Very low | 152 Ų | 152 | 144 Ų | 144 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | -173.6 | 155.9 | 105.7 | -106.9 | 148.7 | 0 | 0 | 0 | 114.9 | |||||
| 19 | Q | 27.3 | Very low | 35.6 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | 76.1 | 104.5 | 151.1 | -116.3 | 137.2 | -13.3 | 0 | 0 | 122.9 | ||||
| 20 | Q | 31.1 | Very low | 36.4 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 47.8 | 111.2 | 114.3 | -110.5 | 174.8 | -0.3 | 0 | 0 | 119.6 | |||||
| 21 | Q | 27 | Very low | 37.6 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | 167.6 | 148.1 | 104.4 | -93.8 | 170 | -25.1 | 0 | 0 | 112.8 | |||||
| 22 | Q | 31.3 | Very low | 38.8 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | trans | -104.3 | 155.6 | 179.9 | -170.6 | 173.2 | -88.4 | 0 | 0 | 110.1 | Q24 | Q22-Q24 HydrophobicContact CG-CG 4.26Š| ||
| 23 | P | 37.3 | Very low | 39.9 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | -132.8 | 138.3 | 124.8 | 25.4 | -9.8 | 0 | 0 | 0 | 113.1 | |||||
| 24 | Q | 34.9 | Very low | 41 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 51% | 0.509 | 71% | 0.705 | S | S | . | * | trans | -99 | 150.7 | 176.9 | -98.6 | -178.4 | 18.8 | 0 | 0 | 111.7 | Q22 | Q22-Q24 HydrophobicContact CG-CG 4.26Š| ||
| 25 | S | 37.3 | Very low | 42 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | -78.7 | 154.8 | 174.8 | 53 | 0 | 0 | 0 | 0 | 112.9 | Q27 | S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | P | 49 | Very low | 42.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 84% | 0.844 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 79.9 | -165.3 | 35.6 | -36.2 | 0 | 0 | 0 | 113.3 | ||
| 27 | Q | 53.4 | Low | 43.7 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 84% | 0.841 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -6.3 | 166.7 | -78.3 | -173 | -24.3 | 0 | 0 | 115.1 | S25 | S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.12Å |
| 28 | R | 54.2 | Low | 44.5 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -80.9 | -12.9 | -179.5 | -74.8 | -174.3 | 167.9 | -161 | -4.6 | 115.4 | L30 A31 V32 | R28-L30 PolarHBondContact O-N 3.43Å; R28-A31 PolarHBondContact O-N 3.37Å; R28-V32 PolarHBondContact O-N 3.37Å |
| 29 | L | 51.9 | Low | 45.5 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.5 | -33.7 | -169.5 | -151.6 | 75.1 | 0 | 0 | 0 | 113.8 | I33 | L29-I33 WeakPolarHBondContact O-CG1 3.48Å |
| 30 | L | 51.3 | Low | 46.6 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.7 | -29.7 | 179.5 | -72.9 | 166.1 | 0 | 0 | 0 | 113.2 | R28 | R28-L30 PolarHBondContact O-N 3.43Å |
| 31 | A | 54.6 | Low | 47.5 | Very low | 58 Ų | 58 | 129.2 Ų | 129.2 | 48% | 0.479 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -71.5 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R28 L34 W35 | R28-A31 PolarHBondContact O-N 3.37Å; A31-L34 PolarHBondContact O-N 3.38Å; A31-W35 PolarHBondContact O-N 3.02Å |
| 32 | V | 57.3 | Low | 48.5 | Very low | 79 Ų | 79 | 129 Ų | 129 | 48% | 0.479 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -67.7 | -36.4 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | R28 W35 F36 | R28-V32 PolarHBondContact O-N 3.37Å; V32-W35 PolarHBondContact O-N 2.95Å; V32-F36 HydrophobicContact CG1-CD2 4Å; V32-F36 HydrophobicContact CG1-CE2 4.28Å; V32-F36 PolarHBondContact O-N 3.34Å |
| 33 | I | 56.4 | Low | 49 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 51% | 0.513 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -67.7 | -37.8 | 179.6 | -62.6 | 168 | 0 | 0 | 0 | 111.2 | L29 F36 Q37 | L29-I33 WeakPolarHBondContact O-CG1 3.48Å; I33-F36 PolarHBondContact O-N 3.36Å; I33-Q37 PolarHBondContact O-N 3.14Å |
| 34 | L | 51.5 | Low | 49.4 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 67% | 0.665 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67 | -37.1 | 176.1 | -124.7 | 81 | 0 | 0 | 0 | 112.4 | A31 | A31-L34 PolarHBondContact O-N 3.38Å |
| 35 | W | 52.3 | Low | 49.6 | Very low | 206 Ų | 206 | 124.1 Ų | 124.1 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.5 | -39.6 | 175.1 | -90.6 | 80 | 0 | 0 | 0 | 112.8 | A31 V32 Q37 L38 A39 | A31-W35 PolarHBondContact O-N 3.02Å; V32-W35 PolarHBondContact O-N 2.95Å; W35-Q37 VanDerWaalsContact C-N 3.3Å; W35-Q37 PolarHBondContact O-N 3.38Å; W35-L38 PolarHBondContact O-N 3Å; W35-A39 PolarHBondContact O-N 3.48Å; W35-A39 VanDerWaalsContact O-N 3.1Å |
| 36 | F | 47.6 | Very low | 50.1 | Low | 139 Ų | 139 | 127.9 Ų | 127.9 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65.2 | -29.5 | 178.9 | -104.8 | -85.3 | 0 | 0 | 0 | 113.9 | V32 I33 | V32-F36 HydrophobicContact CG1-CD2 4Å; V32-F36 HydrophobicContact CG1-CE2 4.28Å; V32-F36 PolarHBondContact O-N 3.34Å; I33-F36 PolarHBondContact O-N 3.36Å |
| 37 | Q | 50.1 | Low | 49.7 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.9 | -31.7 | 175.8 | -70.7 | -67.2 | -47.1 | 0 | 0 | 112.9 | I33 W35 | I33-Q37 PolarHBondContact O-N 3.14Å; W35-Q37 VanDerWaalsContact C-N 3.3Å; W35-Q37 PolarHBondContact O-N 3.38Å |
| 38 | L | 49.6 | Very low | 49.3 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.1 | -30.3 | 175.7 | -84.4 | 156.7 | 0 | 0 | 0 | 113 | W35 L40 | W35-L38 PolarHBondContact O-N 3Å; L38-L40 VanDerWaalsContact C-N 3.27Å; L38-L40 PolarHBondContact O-N 3.05Å |
| 39 | A | 50.8 | Low | 48.5 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 58% | 0.579 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -17.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W35 | W35-A39 PolarHBondContact O-N 3.48Å; W35-A39 VanDerWaalsContact O-N 3.1Å |
| 40 | L | 50.2 | Low | 48 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -5.5 | -178 | -73.8 | 167.8 | 0 | 0 | 0 | 114.4 | L38 | L38-L40 VanDerWaalsContact C-N 3.27Å; L38-L40 PolarHBondContact O-N 3.05Å |
| 41 | C | 50.1 | Low | 47.8 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 70% | 0.696 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -93.2 | -8.6 | 179.6 | -73.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 42 | F | 47.6 | Very low | 47.3 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 80% | 0.798 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -118.7 | 89.5 | 177.7 | -69.6 | -81.4 | 0 | 0 | 0 | 110.3 | ||
| 43 | G | 41.9 | Very low | 47.4 | Very low | 64 Ų | 64 | 127.3 Ų | 127.3 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | -63.8 | 156.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A45 | G43-A45 PolarHBondContact O-N 3.29Å; G43-A45 VanDerWaalsContact O-N 3.14Å | ||
| 44 | P | 45 | Very low | 48.1 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -71.9 | 110.8 | -173.3 | 29.2 | -34.2 | 0 | 0 | 0 | 111.2 | Q46 | P44-Q46 PolarHBondContact O-N 3.35Š| ||
| 45 | A | 39.7 | Very low | 49.5 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | -70.6 | 112.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | G43 L47 | G43-A45 PolarHBondContact O-N 3.29Å; G43-A45 VanDerWaalsContact O-N 3.14Å; A45-L47 PolarHBondContact O-N 3.45Å | ||
| 46 | Q | 47.8 | Very low | 51.3 | Low | 176 Ų | 176 | 117.2 Ų | 117.2 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -70 | 98.1 | 174.1 | -78 | 159.1 | -51.5 | 0 | 0 | 109.9 | P44 | P44-Q46 PolarHBondContact O-N 3.35Š| ||
| 47 | L | 39.7 | Very low | 53.4 | Low | 166 Ų | 166 | 110.8 Ų | 110.8 | 87% | 0.869 | 66% | 0.662 | S | S | * | * | trans | -98.2 | 80.2 | 159 | -74 | 174.5 | 0 | 0 | 0 | 108.7 | A45 G49 | A45-L47 PolarHBondContact O-N 3.45Å; L47-G49 PolarHBondContact O-N 3.1Å | ||
| 48 | T | 46.6 | Very low | 55.4 | Low | 136 Ų | 136 | 111.2 Ų | 111.2 | 83% | 0.834 | 67% | 0.668 | S | S | * | * | trans | -73.3 | 69 | 157.7 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 49 | G | 36.3 | Very low | 57.3 | Low | 64 Ų | 64 | 110 Ų | 110 | 66% | 0.66 | 66% | 0.662 | S | S | * | * | trans | -81.8 | 118.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | L47 L51 | L47-G49 PolarHBondContact O-N 3.1Å; G49-L51 PolarHBondContact O-N 2.94Å | ||
| 50 | G | 42.5 | Very low | 59.3 | Low | 62 Ų | 62 | 107.7 Ų | 107.7 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | trans | -59.9 | 130.9 | 164 | 0 | 0 | 0 | 0 | 0 | 108.1 | D52 | G50-D52 PolarHBondContact O-N 3.27Š| ||
| 51 | L | 46.3 | Very low | 61.3 | Low | 175 Ų | 175 | 102.8 Ų | 102.8 | 92% | 0.916 | 62% | 0.624 | S | S | * | * | trans | -72.9 | 91 | 156.6 | -87.3 | 158 | 0 | 0 | 0 | 105.2 | G49 | G49-L51 PolarHBondContact O-N 2.94Š| ||
| 52 | D | 44.4 | Very low | 63.3 | Low | 141 Ų | 141 | 101.8 Ų | 101.8 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | trans | -54.8 | 146.4 | 172 | -74.1 | -48.9 | 0 | 0 | 0 | 109.6 | G50 V54 | G50-D52 PolarHBondContact O-N 3.27Å; D52-V54 PolarHBondContact O-N 3.05Å | ||
| 53 | D | 59.5 | Low | 65.5 | Low | 155 Ų | 155 | 93.7 Ų | 93.7 | 83% | 0.829 | 58% | 0.58 | S | S | * | * | trans | -45.9 | 109.3 | -175.4 | -144.6 | 7.7 | 0 | 0 | 0 | 110.6 | D55 | D53-D55 PolarHBondContact O-N 2.96Å; D53-D55 VanDerWaalsContact O-N 3.1Å | ||
| 54 | V | 70 | Confident | 67.9 | Low | 96 Ų | 96 | 98.3 Ų | 98.3 | 58% | 0.582 | 58% | 0.584 | S | S | * | * | trans | -73.6 | 108.5 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 105.7 | D52 V56 L76 | D52-V54 PolarHBondContact O-N 3.05Å; V54-V56 HydrophobicContact CB-CG2 4.22Å; V54-V56 HydrophobicContact CG1-CG2 3.77Å; V54-V56 WeakPolarHBondContact O-CG2 3.37Å; V54-V56 PolarHBondContact O-N 2.84Å; V54-L76 HydrophobicContact CG1-CD2 4.41Å | ||
| 55 | D | 82 | Confident | 70 | Confident | 75 Ų | 75 | 95.1 Ų | 95.1 | 40% | 0.401 | 56% | 0.561 | S | S | . | * | trans | -55.2 | 106.6 | 172.1 | -79.2 | -40.5 | 0 | 0 | 0 | 109.3 | D53 R101 L107 | D53-D55 PolarHBondContact O-N 2.96Å; D53-D55 VanDerWaalsContact O-N 3.1Å; D55-R101 IonicContact OD1-NH1 2.95Å; D55-R101 IonicContact OD2-CZ 3.66Å; D55-R101 IonicContact OD2-NH1 2.8Å; D55-R101 PolarHBondContact OD2-NH1 3.18Å; D55-R101 IonicContact OD2-NH2 2.66Å; D55-R101 PolarHBondContact OD2-NH2 3.5Å; D55-L107 HydrophobicContact CB-CD1 3.74Å; D55-L107 HydrophobicContact CB-CG 4.34Å; D55-L107 VanDerWaalsContact O-CD1 3.23Å; D55-L107 WeakPolarHBondContact O-CD1 3.2Å | ||
| 56 | V | 90.2 | Very high | 72.6 | Confident | 50 Ų | 50 | 91.5 Ų | 91.5 | 30% | 0.303 | 53% | 0.531 | S | S | . | . | trans | -133.3 | 148.3 | 179 | 175.8 | 0 | 0 | 0 | 0 | 109 | V54 V74 F75 L76 | V54-V56 HydrophobicContact CB-CG2 4.22Å; V54-V56 HydrophobicContact CG1-CG2 3.77Å; V54-V56 WeakPolarHBondContact O-CG2 3.37Å; V54-V56 PolarHBondContact O-N 2.84Å; V56-V74 HydrophobicContact CB-CG1 4.22Å; V56-V74 HydrophobicContact CG1-CG1 3.52Å; V56-V74 HydrophobicContact CG2-CG1 3.5Å; V56-V74 VanDerWaalsContact CG2-CG1 3.5Å; V56-F75 WeakPolarHBondContact CG1-O 3.45Å; V56-L76 HydrophobicContact CG2-CD2 4.25Å | ||
| 57 | C | 91.4 | Very high | 74.8 | Confident | 4 Ų | 4 | 87.9 Ų | 87.9 | 3% | 0.027 | 51% | 0.513 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 136 | 165.9 | -75.2 | 0 | 0 | 0 | 0 | 112.2 | F75 C99 G108 W109 | C57-F75 HydrophobicContact CB-CB 4.27Å; C57-F75 PolarHBondContact N-O 2.91Å; C57-C99 HydrophobicContact CB-CB 3.83Å; C57-C99 WeakPolarHBondContact CB-SG 3.26Å; C57-C99 WeakPolarHBondContact SG-CA 3.38Å; C57-C99 WeakPolarHBondContact SG-CB 3.34Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 3.04Å; C57-G108 VanDerWaalsContact SG-C 3.57Å; C57-G108 WeakPolarHBondContact SG-CA 3.41Å; C57-G108 PolarHBondContact SG-N 2.79Å; C57-W109 HydrophobicContact CB-CD2 4.47Å; C57-W109 HydrophobicContact CB-CZ2 3.87Å |
| 58 | D | 91.2 | Very high | 77.5 | Confident | 143 Ų | 143 | 80.5 Ų | 80.5 | 77% | 0.765 | 47% | 0.474 | S | S | * | . | trans | -44.2 | 146.8 | 168.4 | -71.9 | -40.5 | 0 | 0 | 0 | 112.3 | P60 W109 | D58-P60 WeakPolarHBondContact O-CD 3.36Å; D58-P60 VanDerWaalsContact O-N 3.14Å; D58-W109 PolarHBondContact O-NE1 2.87Å | ||
| 59 | D | 91.1 | Very high | 79.8 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | trans | -58.2 | 121.3 | 174.6 | -175.3 | -52.3 | 0 | 0 | 0 | 109.8 | G61 R68 | D59-G61 PolarHBondContact O-N 3.11Å; D59-G61 VanDerWaalsContact O-N 3.11Å; D59-G61 VanDerWaalsContact OD1-CA 3.26Å; D59-G61 WeakPolarHBondContact OD1-CA 3.48Å; D59-G61 PolarHBondContact OD1-N 2.66Å; D59-R68 IonicContact OD1-CZ 2.72Å; D59-R68 IonicContact OD1-NH1 3.7Å; D59-R68 PolarHBondContact OD1-NH1 2.86Å; D59-R68 IonicContact OD1-NH2 2.91Å; D59-R68 IonicContact OD2-CZ 2.88Å; D59-R68 IonicContact OD2-NH1 3.9Å; D59-R68 PolarHBondContact OD2-NH1 3.12Å; D59-R68 IonicContact OD2-NH2 3.35Å; D59-R68 PolarHBondContact OD2-NH2 2.72Å | ||
| 60 | P | 91.1 | Very high | 82.3 | Confident | 23 Ų | 23 | 77.3 Ų | 77.3 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | trans | -73.5 | -0.6 | -175.6 | 29.1 | -34 | 0 | 0 | 0 | 113.9 | D58 F75 A81 F83 W109 | D58-P60 WeakPolarHBondContact O-CD 3.36Å; D58-P60 VanDerWaalsContact O-N 3.14Å; P60-F75 HydrophobicContact CG-CE2 4.3Å; P60-A81 HydrophobicContact CG-CB 3.95Å; P60-F83 HydrophobicContact CB-CZ 3.96Å; P60-F83 HydrophobicContact CG-CZ 4.01Å; P60-W109 HydrophobicContact CB-CD2 4.17Å; P60-W109 HydrophobicContact CB-CG 4.38Å; P60-W109 HydrophobicContact CB-CZ2 4.16Å; P60-W109 HydrophobicContact CG-CH2 4.29Å; P60-W109 HydrophobicContact CG-CZ2 3.65Å | ||
| 61 | G | 92.1 | Very high | 84.5 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 32% | 0.32 | 44% | 0.441 | S | S | . | . | trans | 79.9 | 173 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D59 R68 | D59-G61 PolarHBondContact O-N 3.11Å; D59-G61 VanDerWaalsContact O-N 3.11Å; D59-G61 VanDerWaalsContact OD1-CA 3.26Å; D59-G61 WeakPolarHBondContact OD1-CA 3.48Å; D59-G61 PolarHBondContact OD1-N 2.66Å; G61-R68 VanDerWaalsContact C-NH1 3.3Å; G61-R68 PolarHBondContact O-NH1 3.45Å | ||
| 62 | V | 93.3 | Very high | 86.5 | Confident | 81 Ų | 81 | 78.2 Ų | 78.2 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | trans | -115.2 | 128.8 | 164.4 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | R68 | V62-R68 HydrophobicContact CG1-CB 4.5Å; V62-R68 HydrophobicContact CG2-CB 4.08Å | ||
| 63 | P | 93.7 | Very high | 88.4 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 8% | 0.078 | 42% | 0.423 | C | S | . | . | trans | -63.6 | 138.5 | 177.9 | 24.1 | -32.5 | 0 | 0 | 0 | 111.1 | N65 G66 F83 C117 | P63-N65 PolarHBondContact O-N 3.4Å; P63-G66 CarbonylContact O-C 3.59Å; P63-G66 PolarHBondContact O-N 3.13Å; P63-F83 HydrophobicContact CG-CD1 4.31Å; P63-C117 HydrophobicContact CB-CB 4.34Å | ||
| 64 | Q | 91.8 | Very high | 89.8 | Confident | 161 Ų | 161 | 71.3 Ų | 71.3 | 75% | 0.752 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 134.2 | 171.3 | -172.9 | 176.1 | 9.8 | 0 | 0 | 109.6 | G66 C117 | Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 3.05Å; Q64-C117 WeakPolarHBondContact O-CB 3.35Å |
| 65 | N | 90.4 | Very high | 90.9 | Very high | 58 Ų | 58 | 67 Ų | 67 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 34 | -171.5 | -43.2 | -42.2 | 0 | 0 | 0 | 113.7 | P63 Q86 F89 | P63-N65 PolarHBondContact O-N 3.4Å; N65-Q86 WeakPolarHBondContact O-CB 2.93Å; N65-Q86 PolarHBondContact O-N 2.91Å; N65-F89 HydrophobicContact CB-CD1 3.83Å; N65-F89 HydrophobicContact CB-CD2 3.58Å; N65-F89 HydrophobicContact CB-CE1 3.83Å; N65-F89 HydrophobicContact CB-CE2 3.58Å; N65-F89 HydrophobicContact CB-CG 3.73Å; N65-F89 HydrophobicContact CB-CZ 3.72Å; N65-F89 WeakPolarHBondContact ND2-CE1 2.98Å; N65-F89 WeakPolarHBondContact ND2-CZ 3.02Å |
| 66 | G | 93.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 12% | 0.124 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -174.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P63 Q64 N84 | P63-G66 CarbonylContact O-C 3.59Å; P63-G66 PolarHBondContact O-N 3.13Å; Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 3.05Å; G66-N84 CarbonylContact C-O 3.59Å; G66-N84 WeakPolarHBondContact CA-O 3.06Å |
| 67 | F | 95 | Very high | 91.5 | Very high | 100 Ų | 100 | 69.1 Ų | 69.1 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.7 | -179.6 | 57.1 | -83.5 | 0 | 0 | 0 | 111.1 | N84 | F67-N84 HydrophobicContact CD1-CB 4.08Å; F67-N84 HydrophobicContact CD2-CB 3.96Å; F67-N84 HydrophobicContact CE1-CB 3.59Å; F67-N84 HydrophobicContact CE2-CB 3.47Å; F67-N84 VanDerWaalsContact CE2-CB 3.47Å; F67-N84 HydrophobicContact CG-CB 4.25Å; F67-N84 HydrophobicContact CZ-CB 3.28Å; F67-N84 PolarHBondContact N-O 2.72Å; F67-N84 PolarHBondContact O-N 3.17Å |
| 68 | R | 94.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 74.5 Ų | 74.5 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.7 | 177.1 | -178.2 | -173.3 | 64.8 | -158.5 | 10.9 | 109.8 | D59 G61 V62 P70 S71 A81 R82 F83 | D59-R68 IonicContact OD1-CZ 2.72Å; D59-R68 IonicContact OD1-NH1 3.7Å; D59-R68 PolarHBondContact OD1-NH1 2.86Å; D59-R68 IonicContact OD1-NH2 2.91Å; D59-R68 IonicContact OD2-CZ 2.88Å; D59-R68 IonicContact OD2-NH1 3.9Å; D59-R68 PolarHBondContact OD2-NH1 3.12Å; D59-R68 IonicContact OD2-NH2 3.35Å; D59-R68 PolarHBondContact OD2-NH2 2.72Å; G61-R68 VanDerWaalsContact C-NH1 3.3Å; G61-R68 PolarHBondContact O-NH1 3.45Å; V62-R68 HydrophobicContact CG1-CB 4.5Å; V62-R68 HydrophobicContact CG2-CB 4.08Å; R68-P70 WeakPolarHBondContact CG-O 3.48Å; R68-P70 PolarHBondContact NE-O 2.72Å; R68-P70 CarbonylContact O-C 3.5Å; R68-S71 PolarHBondContact NH2-O 3.49Å; R68-S71 WeakPolarHBondContact O-CA 3.23Å; R68-S71 PolarHBondContact O-N 3.1Å; R68-A81 HydrophobicContact CG-CB 4.33Å; R68-R82 CarbonylContact C-O 3.37Å; R68-R82 VanDerWaalsContact CA-O 3.24Å; R68-R82 WeakPolarHBondContact CA-O 3.17Å; R68-F83 HydrophobicContact CB-CD1 4.13Å; R68-F83 HydrophobicContact CB-CE1 4.1Å; R68-F83 HydrophobicContact CG-CD1 4.1Å; R68-F83 HydrophobicContact CG-CE1 3.72Å; R68-F83 HydrophobicContact CG-CZ 4.23Å |
| 69 | T | 94.7 | Very high | 91.6 | Very high | 78 Ų | 78 | 70.8 Ų | 70.8 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.1 | 169.3 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | R82 | T69-R82 PolarHBondContact N-O 2.8Å; T69-R82 PolarHBondContact O-N 2.93Å |
| 70 | P | 90.5 | Very high | 91.8 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | S | Bend | cis | -66.1 | 152.3 | -8.6 | 29.6 | -35.7 | 0 | 0 | 0 | 112.9 | R68 F75 | R68-P70 WeakPolarHBondContact CG-O 3.48Å; R68-P70 PolarHBondContact NE-O 2.72Å; R68-P70 CarbonylContact O-C 3.5Å; P70-F75 HydrophobicContact CG-CE1 3.68Å; P70-F75 HydrophobicContact CG-CZ 4.13Å |
| 71 | S | 88.6 | Confident | 91.9 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -70.7 | -45.4 | -177.6 | 50.5 | 0 | 0 | 0 | 0 | 112 | R68 | R68-S71 PolarHBondContact NH2-O 3.49Å; R68-S71 WeakPolarHBondContact O-CA 3.23Å; R68-S71 PolarHBondContact O-N 3.1Å |
| 72 | E | 86.6 | Confident | 92.1 | Very high | 169 Ų | 169 | 71.1 Ų | 71.1 | 79% | 0.79 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -131.1 | 152.3 | 177 | -62.5 | -175.3 | 171.3 | 0 | 0 | 109.6 | ||
| 73 | G | 86.1 | Confident | 92.3 | Very high | 49 Ų | 49 | 67.5 Ų | 67.5 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | trans | 153.9 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 74 | V | 89.1 | Confident | 92.3 | Very high | 102 Ų | 102 | 70.7 Ų | 70.7 | 62% | 0.618 | 38% | 0.384 | S | S | * | . | trans | -104.2 | 127.9 | 172.8 | 176.5 | 0 | 0 | 0 | 0 | 106.6 | V56 | V56-V74 HydrophobicContact CB-CG1 4.22Å; V56-V74 HydrophobicContact CG1-CG1 3.52Å; V56-V74 HydrophobicContact CG2-CG1 3.5Å; V56-V74 VanDerWaalsContact CG2-CG1 3.5Å | ||
| 75 | F | 92.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 2% | 0.022 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 104.9 | -171.5 | -64.6 | -80.5 | 0 | 0 | 0 | 112 | V56 C57 P60 P70 D79 A81 W109 | V56-F75 WeakPolarHBondContact CG1-O 3.45Å; C57-F75 HydrophobicContact CB-CB 4.27Å; C57-F75 PolarHBondContact N-O 2.91Å; P60-F75 HydrophobicContact CG-CE2 4.3Å; P70-F75 HydrophobicContact CG-CE1 3.68Å; P70-F75 HydrophobicContact CG-CZ 4.13Å; F75-D79 HydrophobicContact CB-CB 4.43Å; F75-D79 HydrophobicContact CD1-CB 4.23Å; F75-A81 HydrophobicContact CE1-CB 4.29Å; F75-W109 HydrophobicContact CB-CH2 3.83Å; F75-W109 HydrophobicContact CB-CZ2 3.68Å; F75-W109 AromaticContact CD1-CH2 3.57Å; F75-W109 HydrophobicContact CD1-CH2 3.57Å; F75-W109 AromaticContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD2-CH2 4.3Å; F75-W109 AromaticContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CE1-CH2 4.15Å; F75-W109 HydrophobicContact CE2-CZ2 4.46Å; F75-W109 AromaticContact CG-CH2 3.64Å; F75-W109 HydrophobicContact CG-CH2 3.64Å; F75-W109 AromaticContact CG-CZ2 3.56Å; F75-W109 HydrophobicContact CG-CZ2 3.56Å |
| 76 | L | 92.1 | Very high | 92.3 | Very high | 88 Ų | 88 | 66.6 Ų | 66.6 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | trans | -82.2 | 169.9 | 179.3 | -62.4 | 174.3 | 0 | 0 | 0 | 112.1 | V54 V56 N78 D79 C99 | V54-L76 HydrophobicContact CG1-CD2 4.41Å; V56-L76 HydrophobicContact CG2-CD2 4.25Å; L76-N78 PolarHBondContact O-N 2.03Å; L76-D79 PolarHBondContact N-OD2 2.95Å; L76-D79 VanDerWaalsContact O-CB 3.3Å; L76-D79 WeakPolarHBondContact O-CB 3.38Å; L76-D79 PolarHBondContact O-N 2.94Å; L76-C99 VanDerWaalsContact O-CB 3.32Å; L76-C99 WeakPolarHBondContact O-CB 3.32Å; L76-C99 PolarHBondContact O-SG 2.64Å; L76-C99 VanDerWaalsContact O-SG 3.4Å | ||
| 77 | E | 92 | Very high | 91.6 | Very high | 82 Ų | 82 | 73.2 Ų | 73.2 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 125.6 | 176.1 | -166.5 | 170.3 | 164.9 | 0 | 0 | 111.8 | R101 L107 | E77-R101 HydrophobicContact CG-CB 4.49Å; E77-R101 WeakPolarHBondContact OE1-CB 3.49Å; E77-R101 IonicContact OE1-NE 3.05Å; E77-R101 IonicContact OE2-CZ 3.78Å; E77-R101 VanDerWaalsContact OE2-CZ 3.3Å; E77-R101 IonicContact OE2-NE 3.96Å; E77-R101 PolarHBondContact OE2-NE 3.1Å; E77-R101 IonicContact OE2-NH2 3.75Å; E77-R101 PolarHBondContact OE2-NH2 2.82Å; E77-L107 HydrophobicContact CB-CD1 4.47Å; E77-L107 HydrophobicContact CB-CD2 3.84Å; E77-L107 HydrophobicContact CG-CD2 3.7Å |
| 78 | N | 90.7 | Very high | 90.4 | Very high | 118 Ų | 118 | 68.7 Ų | 68.7 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -0.4 | -171.9 | -47.5 | -79.3 | 0 | 0 | 0 | 117.1 | L76 C99 | L76-N78 PolarHBondContact O-N 2.03Å; N78-C99 VanDerWaalsContact CA-O 3.31Å; N78-C99 WeakPolarHBondContact CA-O 3.03Å; N78-C99 PolarHBondContact N-O 2.87Å |
| 79 | D | 94.1 | Very high | 89.8 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 34% | 0.342 | 39% | 0.387 | S | S | . | . | trans | -64.9 | 152.5 | 174.2 | -79.8 | -21.4 | 0 | 0 | 0 | 112.6 | F75 L76 L98 C99 | F75-D79 HydrophobicContact CB-CB 4.43Å; F75-D79 HydrophobicContact CD1-CB 4.23Å; L76-D79 PolarHBondContact N-OD2 2.95Å; L76-D79 VanDerWaalsContact O-CB 3.3Å; L76-D79 WeakPolarHBondContact O-CB 3.38Å; L76-D79 PolarHBondContact O-N 2.94Å; D79-L98 CarbonylContact O-C 3.57Å; D79-L98 WeakPolarHBondContact O-CA 3.31Å; D79-C99 PolarHBondContact O-N 3Å | ||
| 80 | A | 94.6 | Very high | 89.3 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 26% | 0.256 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R97 L98 | A80-R97 WeakPolarHBondContact CA-O 2.95Å; A80-L98 HydrophobicContact CB-CD2 3.77Å |
| 81 | A | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | P60 R68 F75 F83 K96 R97 W109 | P60-A81 HydrophobicContact CG-CB 3.95Å; R68-A81 HydrophobicContact CG-CB 4.33Å; F75-A81 HydrophobicContact CE1-CB 4.29Å; A81-F83 HydrophobicContact CB-CE2 3.71Å; A81-F83 HydrophobicContact CB-CZ 3.61Å; A81-F83 WeakPolarHBondContact O-CE2 3.21Å; A81-K96 WeakPolarHBondContact O-CA 3.3Å; A81-R97 PolarHBondContact N-O 2.86Å; A81-R97 PolarHBondContact O-N 2.9Å; A81-W109 HydrophobicContact CB-CH2 3.77Å; A81-W109 HydrophobicContact CB-CZ3 3.8Å |
| 82 | R | 96.2 | Very high | 89.3 | Confident | 131 Ų | 131 | 75.2 Ų | 75.2 | 49% | 0.494 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142 | 173.4 | -65.8 | 176.6 | -173.8 | -98.3 | 9.7 | 109.9 | R68 T69 S95 K96 | R68-R82 CarbonylContact C-O 3.37Å; R68-R82 VanDerWaalsContact CA-O 3.24Å; R68-R82 WeakPolarHBondContact CA-O 3.17Å; T69-R82 PolarHBondContact N-O 2.8Å; T69-R82 PolarHBondContact O-N 2.93Å; R82-S95 CarbonylContact C-O 3.51Å; R82-S95 WeakPolarHBondContact CA-O 3.32Å; R82-K96 HydrophobicContact CG-CB 4.43Å; R82-K96 HydrophobicContact CG-CG 4.12Å |
| 83 | F | 96.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.7 | -174.3 | -57 | -85.3 | 0 | 0 | 0 | 110.9 | P60 P63 R68 A81 L91 S95 R97 A115 | P60-F83 HydrophobicContact CB-CZ 3.96Å; P60-F83 HydrophobicContact CG-CZ 4.01Å; P63-F83 HydrophobicContact CG-CD1 4.31Å; R68-F83 HydrophobicContact CB-CD1 4.13Å; R68-F83 HydrophobicContact CB-CE1 4.1Å; R68-F83 HydrophobicContact CG-CD1 4.1Å; R68-F83 HydrophobicContact CG-CE1 3.72Å; R68-F83 HydrophobicContact CG-CZ 4.23Å; A81-F83 HydrophobicContact CB-CE2 3.71Å; A81-F83 HydrophobicContact CB-CZ 3.61Å; A81-F83 WeakPolarHBondContact O-CE2 3.21Å; F83-L91 HydrophobicContact CB-CD1 4.09Å; F83-L91 HydrophobicContact CB-CD2 4.27Å; F83-S95 PolarHBondContact N-O 2.95Å; F83-R97 HydrophobicContact CD2-CG 4.39Å; F83-R97 HydrophobicContact CE2-CB 4.15Å; F83-R97 HydrophobicContact CE2-CG 3.79Å; F83-A115 HydrophobicContact CB-CB 3.67Å; F83-A115 HydrophobicContact CD1-CB 3.75Å; F83-A115 HydrophobicContact CD2-CB 3.76Å; F83-A115 HydrophobicContact CE1-CB 4.33Å; F83-A115 HydrophobicContact CE2-CB 4.37Å; F83-A115 HydrophobicContact CG-CB 3.41Å; F83-A115 VanDerWaalsContact CG-CB 3.41Å |
| 84 | N | 94.4 | Very high | 89.9 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.4 | 178.1 | -74 | 78.4 | 0 | 0 | 0 | 108.8 | G66 F67 | G66-N84 CarbonylContact C-O 3.59Å; G66-N84 WeakPolarHBondContact CA-O 3.06Å; F67-N84 HydrophobicContact CD1-CB 4.08Å; F67-N84 HydrophobicContact CD2-CB 3.96Å; F67-N84 HydrophobicContact CE1-CB 3.59Å; F67-N84 HydrophobicContact CE2-CB 3.47Å; F67-N84 VanDerWaalsContact CE2-CB 3.47Å; F67-N84 HydrophobicContact CG-CB 4.25Å; F67-N84 HydrophobicContact CZ-CB 3.28Å; F67-N84 PolarHBondContact N-O 2.72Å; F67-N84 PolarHBondContact O-N 3.17Å |
| 85 | C | 92 | Very high | 90.2 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 156.3 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | F89 L91 C117 | C85-F89 HydrophobicContact CB-CB 3.94Å; C85-F89 WeakPolarHBondContact CB-O 3.35Å; C85-L91 VanDerWaalsContact SG-CA 3.5Å; C85-L91 VanDerWaalsContact SG-CD1 3.54Å; C85-L91 PolarHBondContact SG-N 2.69Å; C85-L91 VanDerWaalsContact SG-N 3.44Å; C85-C117 WeakPolarHBondContact CA-SG 3.24Å; C85-C117 HydrophobicContact CB-CB 3.84Å; C85-C117 WeakPolarHBondContact CB-SG 3.44Å; C85-C117 WeakPolarHBondContact SG-CA 3.2Å; C85-C117 WeakPolarHBondContact SG-CB 3.35Å; C85-C117 CovalentContact SG-SG 2.04Å; C85-C117 PolarHBondContact SG-SG 3.14Å |
| 86 | Q | 88.9 | Confident | 90.3 | Very high | 106 Ų | 106 | 70.4 Ų | 70.4 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | trans | -70.8 | 160.3 | 166.2 | -66.4 | 173.4 | -22.8 | 0 | 0 | 109.9 | N65 G88 F89 | N65-Q86 WeakPolarHBondContact O-CB 2.93Å; N65-Q86 PolarHBondContact O-N 2.91Å; Q86-G88 PolarHBondContact O-N 2.88Å; Q86-F89 PolarHBondContact O-N 3.44Å; Q86-F89 VanDerWaalsContact O-N 3.14Å | ||
| 87 | D | 79.3 | Confident | 90.4 | Very high | 150 Ų | 150 | 67 Ų | 67 | 80% | 0.802 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 127.8 | 176.6 | -61.3 | -51.9 | 0 | 0 | 0 | 110.8 | ||
| 88 | G | 70.3 | Confident | 90.6 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 0 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q86 N167 | Q86-G88 PolarHBondContact O-N 2.88Å; G88-N167 VanDerWaalsContact CA-CB 3.45Å; G88-N167 WeakPolarHBondContact CA-OD1 3.44Å; G88-N167 VanDerWaalsContact N-CG 3.29Å; G88-N167 PolarHBondContact N-ND2 3.09Å |
| 89 | F | 82.2 | Confident | 90.8 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 19% | 0.193 | 31% | 0.308 | C | S | . | . | trans | -127.8 | 135.9 | 176.7 | -60.1 | -95.5 | 0 | 0 | 0 | 111.2 | N65 C85 Q86 C117 V118 Q119 | N65-F89 HydrophobicContact CB-CD1 3.83Å; N65-F89 HydrophobicContact CB-CD2 3.58Å; N65-F89 HydrophobicContact CB-CE1 3.83Å; N65-F89 HydrophobicContact CB-CE2 3.58Å; N65-F89 HydrophobicContact CB-CG 3.73Å; N65-F89 HydrophobicContact CB-CZ 3.72Å; N65-F89 WeakPolarHBondContact ND2-CE1 2.98Å; N65-F89 WeakPolarHBondContact ND2-CZ 3.02Å; C85-F89 HydrophobicContact CB-CB 3.94Å; C85-F89 WeakPolarHBondContact CB-O 3.35Å; Q86-F89 PolarHBondContact O-N 3.44Å; Q86-F89 VanDerWaalsContact O-N 3.14Å; F89-C117 HydrophobicContact CB-CB 3.84Å; F89-V118 CarbonylContact C-O 3.56Å; F89-V118 WeakPolarHBondContact CA-O 3.45Å; F89-Q119 HydrophobicContact CD1-CB 3.92Å; F89-Q119 HydrophobicContact CE1-CB 3.72Å | ||
| 90 | R | 83.4 | Confident | 90.8 | Very high | 125 Ų | 125 | 60.5 Ų | 60.5 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.1 | 176.5 | -67.1 | -71.4 | -69.3 | -86.7 | -8.4 | 109.2 | K92 C117 V118 E120 D168 | R90-K92 PolarHBondContact O-N 3.45Å; R90-C117 WeakPolarHBondContact O-CA 3.38Å; R90-V118 PolarHBondContact N-O 3.04Å; R90-V118 PolarHBondContact O-N 2.89Å; R90-E120 HydrophobicContact CB-CG 4.48Å; R90-D168 PolarHBondContact NH1-O 3.38Å |
| 91 | L | 89.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.9 | 176.4 | -167 | 79.3 | 0 | 0 | 0 | 110 | F83 C85 S95 A115 | F83-L91 HydrophobicContact CB-CD1 4.09Å; F83-L91 HydrophobicContact CB-CD2 4.27Å; C85-L91 VanDerWaalsContact SG-CA 3.5Å; C85-L91 VanDerWaalsContact SG-CD1 3.54Å; C85-L91 PolarHBondContact SG-N 2.69Å; C85-L91 VanDerWaalsContact SG-N 3.44Å; L91-S95 VanDerWaalsContact CD2-CA 3.4Å; L91-A115 HydrophobicContact CD1-CB 4.06Å |
| 92 | K | 90.4 | Very high | 90.4 | Very high | 145 Ų | 145 | 68 Ų | 68 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.6 | 168.1 | -170.9 | 171.9 | -175.6 | 171.7 | 0 | 108.9 | R90 V116 V118 | R90-K92 PolarHBondContact O-N 3.45Å; K92-V116 PolarHBondContact N-O 3.47Å; K92-V116 PolarHBondContact O-N 2.92Å; K92-V118 HydrophobicContact CB-CG2 4.16Å |
| 93 | G | 91.3 | Very high | 90.1 | Very high | 38 Ų | 38 | 72.6 Ų | 72.6 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 97.4 | -171.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S95 D113 | G93-S95 PolarHBondContact O-N 2.81Å; G93-D113 VanDerWaalsContact C-OD2 3.31Å; G93-D113 WeakPolarHBondContact CA-OD2 3.48Å |
| 94 | S | 93.8 | Very high | 89.7 | Confident | 23 Ų | 23 | 78.2 Ų | 78.2 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | trans | -66.1 | 117.3 | -171.2 | -67.7 | 0 | 0 | 0 | 0 | 114.1 | K96 P111 D113 | S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 2.83Å; S94-P111 WeakPolarHBondContact OG-CB 3.36Å; S94-P111 WeakPolarHBondContact OG-CG 3.01Å; S94-D113 WeakPolarHBondContact CB-OD1 3.44Å; S94-D113 PolarHBondContact N-OD2 3.37Å; S94-D113 PolarHBondContact OG-OD1 3.17Å; S94-D113 PolarHBondContact OG-OD2 3.31Å | ||
| 95 | S | 94.6 | Very high | 89.2 | Confident | 78 Ų | 78 | 76 Ų | 76 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -70.9 | -17.2 | 173.9 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | R82 F83 L91 G93 | R82-S95 CarbonylContact C-O 3.51Å; R82-S95 WeakPolarHBondContact CA-O 3.32Å; F83-S95 PolarHBondContact N-O 2.95Å; L91-S95 VanDerWaalsContact CD2-CA 3.4Å; G93-S95 PolarHBondContact O-N 2.81Å |
| 96 | K | 95.3 | Very high | 89.1 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 130.9 | 170.1 | -174.8 | -171.2 | 179.6 | -163.8 | 0 | 108.7 | A81 R82 S94 | A81-K96 WeakPolarHBondContact O-CA 3.3Å; R82-K96 HydrophobicContact CG-CB 4.43Å; R82-K96 HydrophobicContact CG-CG 4.12Å; S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 2.83Å |
| 97 | R | 94.9 | Very high | 89.3 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 6% | 0.06 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.1 | 172.6 | -55.9 | 176 | 72.9 | -161.6 | 9.1 | 108.4 | A80 A81 F83 W109 P111 S112 D113 | A80-R97 WeakPolarHBondContact CA-O 2.95Å; A81-R97 PolarHBondContact N-O 2.86Å; A81-R97 PolarHBondContact O-N 2.9Å; F83-R97 HydrophobicContact CD2-CG 4.39Å; F83-R97 HydrophobicContact CE2-CB 4.15Å; F83-R97 HydrophobicContact CE2-CG 3.79Å; R97-W109 HydrophobicContact CB-CD2 4.42Å; R97-W109 HydrophobicContact CB-CE3 3.66Å; R97-W109 HydrophobicContact CB-CZ3 4.32Å; R97-W109 VanDerWaalsContact CZ-CB 3.49Å; R97-W109 WeakPolarHBondContact O-CZ3 3.04Å; R97-P111 PolarHBondContact NE-O 3.34Å; R97-P111 PolarHBondContact NH2-O 2.85Å; R97-P111 VanDerWaalsContact NH2-O 3.13Å; R97-S112 VanDerWaalsContact NH2-C 3.27Å; R97-S112 PolarHBondContact NH2-O 2.99Å; R97-S112 VanDerWaalsContact NH2-O 3.1Å; R97-D113 PolarHBondContact NE-O 2.92Å; R97-D113 PolarHBondContact NH2-O 2.8Å; R97-D113 VanDerWaalsContact NH2-O 3.17Å |
| 98 | L | 95.5 | Very high | 89.9 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 29% | 0.293 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.7 | 179.7 | -66.5 | 173.8 | 0 | 0 | 0 | 109.5 | D79 A80 M100 W109 V110 | D79-L98 CarbonylContact O-C 3.57Å; D79-L98 WeakPolarHBondContact O-CA 3.31Å; A80-L98 HydrophobicContact CB-CD2 3.77Å; L98-M100 HydrophobicContact CB-CG 3.92Å; L98-M100 HydrophobicContact CB-SD 4.45Å; L98-M100 HydrophobicContact CD1-SD 4.5Å; L98-M100 PolarHBondContact O-N 3.42Å; L98-W109 VanDerWaalsContact C-CE3 3.41Å; L98-W109 WeakPolarHBondContact O-CA 3.49Å; L98-V110 PolarHBondContact N-O 3.02Å; L98-V110 PolarHBondContact O-N 2.72Å |
| 99 | C | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114.3 | 167.5 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | C57 L76 N78 D79 W109 | C57-C99 HydrophobicContact CB-CB 3.83Å; C57-C99 WeakPolarHBondContact CB-SG 3.26Å; C57-C99 WeakPolarHBondContact SG-CA 3.38Å; C57-C99 WeakPolarHBondContact SG-CB 3.34Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 3.04Å; L76-C99 VanDerWaalsContact O-CB 3.32Å; L76-C99 WeakPolarHBondContact O-CB 3.32Å; L76-C99 PolarHBondContact O-SG 2.64Å; L76-C99 VanDerWaalsContact O-SG 3.4Å; N78-C99 VanDerWaalsContact CA-O 3.31Å; N78-C99 WeakPolarHBondContact CA-O 3.03Å; N78-C99 PolarHBondContact N-O 2.87Å; D79-C99 PolarHBondContact O-N 3Å; C99-W109 HydrophobicContact CB-CE3 4.42Å; C99-W109 HydrophobicContact CB-CH2 4.1Å; C99-W109 HydrophobicContact CB-CZ3 4.05Å |
| 100 | M | 94.1 | Very high | 91.6 | Very high | 73 Ų | 73 | 67.5 Ų | 67.5 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.2 | -178 | -59.2 | -152.1 | -52.3 | 0 | 0 | 111.5 | L98 L107 G108 V110 | L98-M100 HydrophobicContact CB-CG 3.92Å; L98-M100 HydrophobicContact CB-SD 4.45Å; L98-M100 HydrophobicContact CD1-SD 4.5Å; L98-M100 PolarHBondContact O-N 3.42Å; M100-L107 WeakPolarHBondContact O-CA 3.31Å; M100-G108 PolarHBondContact N-O 3.48Å; M100-G108 PolarHBondContact O-N 2.8Å; M100-V110 HydrophobicContact CB-CG2 4.25Å; M100-V110 HydrophobicContact CE-CB 3.76Å; M100-V110 HydrophobicContact CE-CG1 3.83Å; M100-V110 HydrophobicContact CE-CG2 3.81Å |
| 101 | R | 92.6 | Very high | 92.1 | Very high | 99 Ų | 99 | 64.4 Ų | 64.4 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.1 | 175.2 | -166.1 | 174.3 | -66 | -100.6 | 7.9 | 110.9 | D55 E77 G105 L107 | D55-R101 IonicContact OD1-NH1 2.95Å; D55-R101 IonicContact OD2-CZ 3.66Å; D55-R101 IonicContact OD2-NH1 2.8Å; D55-R101 PolarHBondContact OD2-NH1 3.18Å; D55-R101 IonicContact OD2-NH2 2.66Å; D55-R101 PolarHBondContact OD2-NH2 3.5Å; E77-R101 HydrophobicContact CG-CB 4.49Å; E77-R101 WeakPolarHBondContact OE1-CB 3.49Å; E77-R101 IonicContact OE1-NE 3.05Å; E77-R101 IonicContact OE2-CZ 3.78Å; E77-R101 VanDerWaalsContact OE2-CZ 3.3Å; E77-R101 IonicContact OE2-NE 3.96Å; E77-R101 PolarHBondContact OE2-NE 3.1Å; E77-R101 IonicContact OE2-NH2 3.75Å; E77-R101 PolarHBondContact OE2-NH2 2.82Å; R101-G105 WeakPolarHBondContact CG-O 3.42Å; R101-G105 PolarHBondContact NH1-O 3.43Å; R101-L107 HydrophobicContact CB-CD2 3.81Å; R101-L107 HydrophobicContact CG-CD2 4.43Å |
| 102 | F | 89.3 | Confident | 92.2 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 39% | 0.386 | 36% | 0.364 | S | S | . | . | trans | -83.3 | 161.9 | 174.5 | -66 | -65.8 | 0 | 0 | 0 | 111.3 | N104 G105 S106 V110 | F102-N104 WeakPolarHBondContact CB-OD1 3.39Å; F102-N104 PolarHBondContact O-N 2.85Å; F102-G105 PolarHBondContact O-N 2.85Å; F102-S106 PolarHBondContact N-O 2.97Å; F102-V110 HydrophobicContact CE1-CG2 3.71Å; F102-V110 HydrophobicContact CZ-CG2 3.77Å | ||
| 103 | F | 88.9 | Confident | 92.4 | Very high | 228 Ų | 228 | 62.7 Ų | 62.7 | 100% | 1 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17 | -178.8 | -62.2 | -74.4 | 0 | 0 | 0 | 115.1 | G105 | F103-G105 VanDerWaalsContact C-N 3.3Š|
| 104 | N | 88.4 | Confident | 92.4 | Very high | 122 Ų | 122 | 68.7 Ų | 68.7 | 65% | 0.652 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 1.2 | 174.2 | 67.5 | -17.6 | 0 | 0 | 0 | 113.3 | F102 S106 | F102-N104 WeakPolarHBondContact CB-OD1 3.39Å; F102-N104 PolarHBondContact O-N 2.85Å; N104-S106 VanDerWaalsContact CG-OG 3.26Å; N104-S106 PolarHBondContact ND2-OG 3.28Å; N104-S106 PolarHBondContact OD1-N 3.4Å; N104-S106 PolarHBondContact OD1-OG 2.78Å |
| 105 | G | 83.9 | Confident | 92.4 | Very high | 33 Ų | 33 | 68.2 Ų | 68.2 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 92.5 | -20.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R101 F102 F103 | R101-G105 WeakPolarHBondContact CG-O 3.42Å; R101-G105 PolarHBondContact NH1-O 3.43Å; F102-G105 PolarHBondContact O-N 2.85Å; F103-G105 VanDerWaalsContact C-N 3.3Å |
| 106 | S | 89.6 | Confident | 92.3 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | trans | -76.6 | 147.4 | -179 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | F102 N104 | F102-S106 PolarHBondContact N-O 2.97Å; N104-S106 VanDerWaalsContact CG-OG 3.26Å; N104-S106 PolarHBondContact ND2-OG 3.28Å; N104-S106 PolarHBondContact OD1-N 3.4Å; N104-S106 PolarHBondContact OD1-OG 2.78Å | ||
| 107 | L | 92.3 | Very high | 92.2 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.131 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 152.3 | 168.1 | -73.5 | 176.5 | 0 | 0 | 0 | 112.2 | D55 E77 M100 R101 | D55-L107 HydrophobicContact CB-CD1 3.74Å; D55-L107 HydrophobicContact CB-CG 4.34Å; D55-L107 VanDerWaalsContact O-CD1 3.23Å; D55-L107 WeakPolarHBondContact O-CD1 3.2Å; E77-L107 HydrophobicContact CB-CD1 4.47Å; E77-L107 HydrophobicContact CB-CD2 3.84Å; E77-L107 HydrophobicContact CG-CD2 3.7Å; M100-L107 WeakPolarHBondContact O-CA 3.31Å; R101-L107 HydrophobicContact CB-CD2 3.81Å; R101-L107 HydrophobicContact CG-CD2 4.43Å |
| 108 | G | 92.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 177.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C57 M100 | C57-G108 VanDerWaalsContact SG-C 3.57Å; C57-G108 WeakPolarHBondContact SG-CA 3.41Å; C57-G108 PolarHBondContact SG-N 2.79Å; M100-G108 PolarHBondContact N-O 3.48Å; M100-G108 PolarHBondContact O-N 2.8Å |
| 109 | W | 94.8 | Very high | 90.8 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.7 | -172 | -68.7 | 103.1 | 0 | 0 | 0 | 113.4 | C57 D58 P60 F75 A81 R97 L98 C99 P111 S112 | C57-W109 HydrophobicContact CB-CD2 4.47Å; C57-W109 HydrophobicContact CB-CZ2 3.87Å; D58-W109 PolarHBondContact O-NE1 2.87Å; P60-W109 HydrophobicContact CB-CD2 4.17Å; P60-W109 HydrophobicContact CB-CG 4.38Å; P60-W109 HydrophobicContact CB-CZ2 4.16Å; P60-W109 HydrophobicContact CG-CH2 4.29Å; P60-W109 HydrophobicContact CG-CZ2 3.65Å; F75-W109 HydrophobicContact CB-CH2 3.83Å; F75-W109 HydrophobicContact CB-CZ2 3.68Å; F75-W109 AromaticContact CD1-CH2 3.57Å; F75-W109 HydrophobicContact CD1-CH2 3.57Å; F75-W109 AromaticContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD2-CH2 4.3Å; F75-W109 AromaticContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CE1-CH2 4.15Å; F75-W109 HydrophobicContact CE2-CZ2 4.46Å; F75-W109 AromaticContact CG-CH2 3.64Å; F75-W109 HydrophobicContact CG-CH2 3.64Å; F75-W109 AromaticContact CG-CZ2 3.56Å; F75-W109 HydrophobicContact CG-CZ2 3.56Å; A81-W109 HydrophobicContact CB-CH2 3.77Å; A81-W109 HydrophobicContact CB-CZ3 3.8Å; R97-W109 HydrophobicContact CB-CD2 4.42Å; R97-W109 HydrophobicContact CB-CE3 3.66Å; R97-W109 HydrophobicContact CB-CZ3 4.32Å; R97-W109 VanDerWaalsContact CZ-CB 3.49Å; R97-W109 WeakPolarHBondContact O-CZ3 3.04Å; L98-W109 VanDerWaalsContact C-CE3 3.41Å; L98-W109 WeakPolarHBondContact O-CA 3.49Å; C99-W109 HydrophobicContact CB-CE3 4.42Å; C99-W109 HydrophobicContact CB-CH2 4.1Å; C99-W109 HydrophobicContact CB-CZ3 4.05Å; W109-P111 CarbonylContact C-O 3.58Å; W109-P111 CarbonylContact O-C 3.41Å; W109-S112 WeakPolarHBondContact O-CA 3.49Å; W109-S112 PolarHBondContact O-N 3.39Å |
| 110 | V | 93.7 | Very high | 89.8 | Confident | 45 Ų | 45 | 71.8 Ų | 71.8 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.1 | 173 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | L98 M100 F102 | L98-V110 PolarHBondContact N-O 3.02Å; L98-V110 PolarHBondContact O-N 2.72Å; M100-V110 HydrophobicContact CB-CG2 4.25Å; M100-V110 HydrophobicContact CE-CB 3.76Å; M100-V110 HydrophobicContact CE-CG1 3.83Å; M100-V110 HydrophobicContact CE-CG2 3.81Å; F102-V110 HydrophobicContact CE1-CG2 3.71Å; F102-V110 HydrophobicContact CZ-CG2 3.77Å |
| 111 | P | 93.4 | Very high | 89.4 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 39% | 0.39 | 39% | 0.388 | S | S | . | . | S | Bend | cis | -69.6 | 157.3 | -2.9 | -17.5 | 34.1 | 0 | 0 | 0 | 112.8 | S94 R97 W109 D113 | S94-P111 WeakPolarHBondContact OG-CB 3.36Å; S94-P111 WeakPolarHBondContact OG-CG 3.01Å; R97-P111 PolarHBondContact NE-O 3.34Å; R97-P111 PolarHBondContact NH2-O 2.85Å; R97-P111 VanDerWaalsContact NH2-O 3.13Å; W109-P111 CarbonylContact C-O 3.58Å; W109-P111 CarbonylContact O-C 3.41Å; P111-D113 VanDerWaalsContact C-N 3.34Å; P111-D113 WeakPolarHBondContact CB-OD1 3.14Å; P111-D113 PolarHBondContact O-N 3.3Å |
| 112 | S | 91.6 | Very high | 89.2 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | trans | -83 | -8 | -170.8 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | R97 W109 | R97-S112 VanDerWaalsContact NH2-C 3.27Å; R97-S112 PolarHBondContact NH2-O 2.99Å; R97-S112 VanDerWaalsContact NH2-O 3.1Å; W109-S112 WeakPolarHBondContact O-CA 3.49Å; W109-S112 PolarHBondContact O-N 3.39Å | ||
| 113 | D | 94.3 | Very high | 89.1 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 32% | 0.321 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -68.7 | 153.9 | 175.8 | 72.3 | -52 | 0 | 0 | 0 | 112 | G93 S94 R97 P111 | G93-D113 VanDerWaalsContact C-OD2 3.31Å; G93-D113 WeakPolarHBondContact CA-OD2 3.48Å; S94-D113 WeakPolarHBondContact CB-OD1 3.44Å; S94-D113 PolarHBondContact N-OD2 3.37Å; S94-D113 PolarHBondContact OG-OD1 3.17Å; S94-D113 PolarHBondContact OG-OD2 3.31Å; R97-D113 PolarHBondContact NE-O 2.92Å; R97-D113 PolarHBondContact NH2-O 2.8Å; R97-D113 VanDerWaalsContact NH2-O 3.17Å; P111-D113 VanDerWaalsContact C-N 3.34Å; P111-D113 WeakPolarHBondContact CB-OD1 3.14Å; P111-D113 PolarHBondContact O-N 3.3Å |
| 114 | K | 91.4 | Very high | 89.2 | Confident | 164 Ų | 164 | 68.8 Ų | 68.8 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 129.3 | -179.9 | -64.2 | -171.9 | 178.5 | -171.1 | 0 | 110 | V116 | K114-V116 HydrophobicContact CB-CG2 4.38Å; K114-V116 PolarHBondContact O-N 2.81Å |
| 115 | A | 93.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 119.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F83 L91 | F83-A115 HydrophobicContact CB-CB 3.67Å; F83-A115 HydrophobicContact CD1-CB 3.75Å; F83-A115 HydrophobicContact CD2-CB 3.76Å; F83-A115 HydrophobicContact CE1-CB 4.33Å; F83-A115 HydrophobicContact CE2-CB 4.37Å; F83-A115 HydrophobicContact CG-CB 3.41Å; F83-A115 VanDerWaalsContact CG-CB 3.41Å; L91-A115 HydrophobicContact CD1-CB 4.06Å |
| 116 | V | 94 | Very high | 89.7 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.6 | 176 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | K92 K114 V118 | K92-V116 PolarHBondContact N-O 3.47Å; K92-V116 PolarHBondContact O-N 2.92Å; K114-V116 HydrophobicContact CB-CG2 4.38Å; K114-V116 PolarHBondContact O-N 2.81Å; V116-V118 HydrophobicContact CG1-CG1 3.9Å |
| 117 | C | 91.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 112 | 173.4 | -68.1 | 0 | 0 | 0 | 0 | 109 | P63 Q64 C85 F89 R90 | P63-C117 HydrophobicContact CB-CB 4.34Å; Q64-C117 WeakPolarHBondContact O-CB 3.35Å; C85-C117 WeakPolarHBondContact CA-SG 3.24Å; C85-C117 HydrophobicContact CB-CB 3.84Å; C85-C117 WeakPolarHBondContact CB-SG 3.44Å; C85-C117 WeakPolarHBondContact SG-CA 3.2Å; C85-C117 WeakPolarHBondContact SG-CB 3.35Å; C85-C117 CovalentContact SG-SG 2.04Å; C85-C117 PolarHBondContact SG-SG 3.14Å; F89-C117 HydrophobicContact CB-CB 3.84Å; R90-C117 WeakPolarHBondContact O-CA 3.38Å |
| 118 | V | 85.1 | Confident | 89.9 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.4 | -179.1 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | F89 R90 K92 V116 E120 | F89-V118 CarbonylContact C-O 3.56Å; F89-V118 WeakPolarHBondContact CA-O 3.45Å; R90-V118 PolarHBondContact N-O 3.04Å; R90-V118 PolarHBondContact O-N 2.89Å; K92-V118 HydrophobicContact CB-CG2 4.16Å; V116-V118 HydrophobicContact CG1-CG1 3.9Å; V118-E120 HydrophobicContact CG2-CG 4.23Å |
| 119 | Q | 77.1 | Confident | 89.9 | Confident | 89 Ų | 89 | 77 Ų | 77 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 117.6 | 167 | -169.5 | 161.5 | 60.5 | 0 | 0 | 106.8 | F89 H139 | F89-Q119 HydrophobicContact CD1-CB 3.92Å; F89-Q119 HydrophobicContact CE1-CB 3.72Å; Q119-H139 HydrophobicContact CG-CB 3.99Å |
| 120 | E | 74.6 | Confident | 89.9 | Confident | 98 Ų | 98 | 76.8 Ų | 76.8 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 134.7 | 175.2 | -66.1 | -170.5 | 148.3 | 0 | 0 | 109.2 | R90 V118 | R90-E120 HydrophobicContact CB-CG 4.48Å; V118-E120 HydrophobicContact CG2-CG 4.23Å |
| 121 | D | 85.1 | Confident | 90 | Very high | 102 Ų | 102 | 78.3 Ų | 78.3 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 148.3 | 169.9 | -69.5 | -30 | 0 | 0 | 0 | 109.9 | Y137 R138 | D121-Y137 CarbonylContact C-O 3.58Å; D121-Y137 WeakPolarHBondContact CA-O 3.35Å; D121-R138 WeakPolarHBondContact OD1-CA 3.38Å; D121-R138 WeakPolarHBondContact OD1-CG 3.44Å |
| 122 | C | 87.9 | Confident | 90 | Very high | 3 Ų | 3 | 76.9 Ų | 76.9 | 2% | 0.02 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 147.6 | 176 | -76.3 | 0 | 0 | 0 | 0 | 112.1 | L124 Y137 C165 G169 T170 W171 | C122-L124 PolarHBondContact O-N 2.82Å; C122-Y137 PolarHBondContact N-O 2.86Å; C122-C165 HydrophobicContact CB-CB 3.85Å; C122-C165 WeakPolarHBondContact CB-SG 3.29Å; C122-C165 WeakPolarHBondContact SG-CA 3.39Å; C122-C165 WeakPolarHBondContact SG-CB 3.44Å; C122-C165 CovalentContact SG-SG 2.02Å; C122-C165 PolarHBondContact SG-SG 2.66Å; C122-G169 WeakPolarHBondContact CA-O 3.35Å; C122-G169 VanDerWaalsContact SG-C 3.53Å; C122-T170 PolarHBondContact SG-O 3.31Å; C122-W171 HydrophobicContact CB-CD2 4.26Å; C122-W171 HydrophobicContact CB-CZ2 3.91Å |
| 123 | R | 88.3 | Confident | 90 | Very high | 195 Ų | 195 | 76.4 Ų | 76.4 | 74% | 0.736 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 140.1 | 175.4 | -62.9 | -178.2 | -175.3 | -166.9 | 1.8 | 110.5 | P125 G169 W171 | R123-P125 VanDerWaalsContact O-CD 3.28Å; R123-P125 WeakPolarHBondContact O-CD 3.38Å; R123-P125 VanDerWaalsContact O-N 3.09Å; R123-G169 PolarHBondContact N-O 3.44Å; R123-G169 VanDerWaalsContact N-O 3.15Å; R123-W171 PolarHBondContact O-NE1 3.48Å |
| 124 | L | 90.1 | Very high | 89.5 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | trans | -58.8 | 114.1 | 178.2 | -74.6 | 82.4 | 0 | 0 | 0 | 109.6 | C122 Q126 Y137 | C122-L124 PolarHBondContact O-N 2.82Å; L124-Q126 PolarHBondContact O-N 3.44Å; L124-Q126 PolarHBondContact O-NE2 2.04Å; L124-Y137 HydrophobicContact CD2-CE2 4.41Å; L124-Y137 HydrophobicContact CG-CD2 4.32Å; L124-Y137 HydrophobicContact CG-CE2 3.85Å | ||
| 125 | P | 91.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | trans | -68.5 | 136.8 | -176.6 | 25.9 | -29.5 | 0 | 0 | 0 | 110.2 | R123 I127 I132 Y137 L143 W171 L174 | R123-P125 VanDerWaalsContact O-CD 3.28Å; R123-P125 WeakPolarHBondContact O-CD 3.38Å; R123-P125 VanDerWaalsContact O-N 3.09Å; P125-I127 HydrophobicContact CB-CD1 4.43Å; P125-I127 HydrophobicContact CB-CG1 4.47Å; P125-I132 HydrophobicContact CG-CD1 4.03Å; P125-Y137 HydrophobicContact CG-CE1 4.42Å; P125-L143 HydrophobicContact CB-CD2 4.04Å; P125-L143 HydrophobicContact CG-CD1 3.72Å; P125-L143 HydrophobicContact CG-CD2 3.74Å; P125-L143 HydrophobicContact CG-CG 4.41Å; P125-W171 HydrophobicContact CG-CZ2 4.46Å; P125-L174 HydrophobicContact CB-CD1 4.48Å; P125-L174 HydrophobicContact CB-CD2 3.69Å | ||
| 126 | Q | 90.4 | Very high | 88.6 | Confident | 165 Ų | 165 | 81.1 Ų | 81.1 | 77% | 0.771 | 40% | 0.401 | S | S | * | . | trans | -105.2 | 110.2 | 172.6 | -57.8 | -56.3 | -61.7 | 0 | 0 | 107.1 | L124 | L124-Q126 PolarHBondContact O-N 3.44Å; L124-Q126 PolarHBondContact O-NE2 2.04Å | ||
| 127 | I | 93.4 | Very high | 88.3 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | trans | -129.1 | 116.3 | 179.2 | -54.5 | 170.2 | 0 | 0 | 0 | 105.6 | P125 A130 L143 V145 P175 | P125-I127 HydrophobicContact CB-CD1 4.43Å; P125-I127 HydrophobicContact CB-CG1 4.47Å; I127-A130 HydrophobicContact CB-CB 4.05Å; I127-A130 HydrophobicContact CG2-CB 3.61Å; I127-L143 HydrophobicContact CD1-CD2 3.82Å; I127-V145 HydrophobicContact CD1-CG1 4.13Å; I127-V145 HydrophobicContact CD1-CG2 3.76Å; I127-P175 HydrophobicContact CD1-CG 4.05Å | ||
| 128 | E | 92.6 | Very high | 88.1 | Confident | 157 Ų | 157 | 85 Ų | 85 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 152.8 | 178.3 | -62.6 | -176.2 | 162.5 | 0 | 0 | 110.6 | A130 | E128-A130 VanDerWaalsContact C-N 3.26Å; E128-A130 PolarHBondContact O-N 3.01Å |
| 129 | D | 93.6 | Very high | 88.1 | Confident | 62 Ų | 62 | 86.1 Ų | 86.1 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41 | 179.5 | -55.9 | -39.6 | 0 | 0 | 0 | 113.8 | H148 Y151 | D129-H148 PolarHBondContact O-N 3.5Å; D129-Y151 HydrophobicContact CB-CD1 4.05Å; D129-Y151 HydrophobicContact CB-CD2 4.18Å; D129-Y151 HydrophobicContact CB-CE1 3.76Å; D129-Y151 HydrophobicContact CB-CE2 3.94Å; D129-Y151 HydrophobicContact CB-CG 4.24Å; D129-Y151 VanDerWaalsContact CG-CZ 3.44Å; D129-Y151 VanDerWaalsContact CG-OH 3.24Å; D129-Y151 WeakPolarHBondContact OD2-CE1 3.4Å; D129-Y151 PolarHBondContact OD2-OH 2.83Å |
| 130 | A | 95.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 84.2 Ų | 84.2 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 147.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I127 E128 V145 T146 C177 | I127-A130 HydrophobicContact CB-CB 4.05Å; I127-A130 HydrophobicContact CG2-CB 3.61Å; E128-A130 VanDerWaalsContact C-N 3.26Å; E128-A130 PolarHBondContact O-N 3.01Å; A130-V145 HydrophobicContact CB-CG1 3.8Å; A130-T146 WeakPolarHBondContact CA-O 3.01Å; A130-C177 VanDerWaalsContact CB-SG 3.56Å |
| 131 | D | 94.9 | Very high | 89.1 | Confident | 77 Ų | 77 | 81.9 Ų | 81.9 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.2 | 168.3 | -64.8 | -36.3 | 0 | 0 | 0 | 110.6 | V145 T146 H148 | D131-V145 WeakPolarHBondContact O-CA 3.34Å; D131-T146 PolarHBondContact N-O 2.91Å; D131-T146 PolarHBondContact O-N 3.13Å; D131-H148 VanDerWaalsContact CG-NE2 3.31Å; D131-H148 IonicContact OD1-CD2 3.4Å; D131-H148 IonicContact OD1-CE1 2.66Å; D131-H148 IonicContact OD1-NE2 3.97Å; D131-H148 PolarHBondContact OD1-NE2 3.31Å; D131-H148 IonicContact OD2-CD2 3.79Å; D131-H148 IonicContact OD2-NE2 3.56Å; D131-H148 PolarHBondContact OD2-NE2 2.88Å |
| 132 | I | 93.4 | Very high | 89.4 | Confident | 30 Ų | 30 | 83.3 Ų | 83.3 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.2 | 175.9 | -60.2 | 157.8 | 0 | 0 | 0 | 109.4 | P125 K135 Y137 L143 | P125-I132 HydrophobicContact CG-CD1 4.03Å; I132-K135 HydrophobicContact CG2-CG 4.16Å; I132-K135 WeakPolarHBondContact O-CE 3.46Å; I132-Y137 HydrophobicContact CG2-CE1 4.38Å; I132-L143 HydrophobicContact CG2-CD1 3.79Å |
| 133 | H | 91.5 | Very high | 89.6 | Confident | 92 Ų | 92 | 83.6 Ų | 83.6 | 43% | 0.426 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 159.1 | 178.4 | -55.7 | -69.9 | 0 | 0 | 0 | 111.2 | K135 I144 T146 | H133-K135 PolarHBondContact O-N 2.91Å; H133-I144 HydrophobicContact CB-CB 4.25Å; H133-I144 HydrophobicContact CB-CG2 3.98Å; H133-I144 PolarHBondContact N-O 2.89Å; H133-T146 PolarHBondContact CD2-OG1 3.34Å; H133-T146 WeakPolarHBondContact NE2-CB 3.24Å; H133-T146 PolarHBondContact NE2-OG1 3.26Å |
| 134 | N | 84.6 | Confident | 89.8 | Confident | 124 Ų | 124 | 77.4 Ų | 77.4 | 66% | 0.663 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 44.5 | 64 | 175.8 | -63.8 | -14.9 | 0 | 0 | 0 | 112.3 | T136 I144 | N134-T136 PolarHBondContact O-N 3.34Å; N134-I144 HydrophobicContact CB-CD1 4.34Å |
| 135 | K | 83.6 | Confident | 90 | Very high | 148 Ų | 148 | 72.4 Ų | 72.4 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | trans | -69.1 | 55.8 | -171.4 | -61.9 | -178.9 | 179.7 | -179.4 | 0 | 113.7 | I132 H133 Y137 | I132-K135 HydrophobicContact CG2-CG 4.16Å; I132-K135 WeakPolarHBondContact O-CE 3.46Å; H133-K135 PolarHBondContact O-N 2.91Å; K135-Y137 HydrophobicContact CB-CE1 4.27Å; K135-Y137 HydrophobicContact CB-CE2 4.46Å | ||
| 136 | T | 82.1 | Confident | 90.2 | Very high | 64 Ų | 64 | 75.3 Ų | 75.3 | 39% | 0.393 | 38% | 0.378 | S | S | . | . | trans | -106.2 | 126.2 | 169.2 | 61.8 | 0 | 0 | 0 | 0 | 106.8 | N134 E141 | N134-T136 PolarHBondContact O-N 3.34Å; T136-E141 WeakPolarHBondContact CB-OE2 3.39Å; T136-E141 PolarHBondContact OG1-OE2 3.4Å | ||
| 137 | Y | 88.1 | Confident | 90.4 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 12% | 0.122 | 35% | 0.348 | C | S | . | . | trans | -118.9 | 30 | -170.9 | -51.5 | -45.1 | 0 | 0 | 0 | 110.8 | D121 C122 L124 P125 I132 K135 L143 C165 W171 | D121-Y137 CarbonylContact C-O 3.58Å; D121-Y137 WeakPolarHBondContact CA-O 3.35Å; C122-Y137 PolarHBondContact N-O 2.86Å; L124-Y137 HydrophobicContact CD2-CE2 4.41Å; L124-Y137 HydrophobicContact CG-CD2 4.32Å; L124-Y137 HydrophobicContact CG-CE2 3.85Å; P125-Y137 HydrophobicContact CG-CE1 4.42Å; I132-Y137 HydrophobicContact CG2-CE1 4.38Å; K135-Y137 HydrophobicContact CB-CE1 4.27Å; K135-Y137 HydrophobicContact CB-CE2 4.46Å; Y137-L143 HydrophobicContact CD1-CD1 4.35Å; Y137-L143 HydrophobicContact CE1-CD1 4.02Å; Y137-C165 PolarHBondContact O-SG 2.94Å; Y137-W171 HydrophobicContact CD1-CH2 4.17Å; Y137-W171 AromaticContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CE1-CZ2 4.49Å; Y137-W171 HydrophobicContact CG-CZ2 4.18Å | ||
| 138 | R | 86 | Confident | 90.6 | Very high | 132 Ų | 132 | 70.9 Ų | 70.9 | 50% | 0.498 | 36% | 0.359 | S | S | . | . | trans | -74.2 | 153 | -178.7 | -73 | 177.6 | -70.8 | -142.4 | -2.8 | 110.5 | D121 G140 E141 C165 | D121-R138 WeakPolarHBondContact OD1-CA 3.38Å; D121-R138 WeakPolarHBondContact OD1-CG 3.44Å; R138-G140 PolarHBondContact O-N 2.21Å; R138-E141 HydrophobicContact CB-CG 4.14Å; R138-E141 IonicContact CZ-OE1 3.48Å; R138-E141 PolarHBondContact N-OE2 2.82Å; R138-E141 IonicContact NE-OE1 2.92Å; R138-E141 PolarHBondContact NE-OE1 2.02Å; R138-E141 IonicContact NE-OE2 3.71Å; R138-E141 IonicContact NH2-OE1 3.56Å; R138-E141 PolarHBondContact NH2-OE1 3.41Å; R138-E141 WeakPolarHBondContact O-CB 3.5Å; R138-E141 PolarHBondContact O-N 2.91Å; R138-C165 VanDerWaalsContact O-CB 3.31Å; R138-C165 WeakPolarHBondContact O-CB 2.54Å | ||
| 139 | H | 84.8 | Confident | 90.7 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 31% | 0.31 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 133.1 | 173.9 | 173.7 | -104.2 | 0 | 0 | 0 | 112.3 | Q119 E141 C165 R166 N167 | Q119-H139 HydrophobicContact CG-CB 3.99Å; H139-E141 PolarHBondContact O-N 3.05Å; H139-C165 PolarHBondContact CD2-O 2.03Å; H139-R166 VanDerWaalsContact CD2-C 3.45Å; H139-N167 PolarHBondContact CD2-N 3.34Å; H139-N167 VanDerWaalsContact CD2-N 3.34Å; H139-N167 PolarHBondContact CD2-OD1 2.8Å; H139-N167 VanDerWaalsContact CD2-OD1 3.26Å; H139-N167 PolarHBondContact CE1-OD1 2.72Å; H139-N167 PolarHBondContact NE2-OD1 2.89Å |
| 140 | G | 85.2 | Confident | 90.7 | Very high | 48 Ų | 48 | 70.5 Ų | 70.5 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -8.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R138 C165 | R138-G140 PolarHBondContact O-N 2.21Å; G140-C165 PolarHBondContact N-O 3.4Å |
| 141 | E | 88 | Confident | 90.8 | Very high | 49 Ų | 49 | 71.4 Ų | 71.4 | 23% | 0.229 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 150.2 | 169.7 | -64.9 | 178.5 | 168.9 | 0 | 0 | 110.5 | T136 R138 H139 C165 | T136-E141 WeakPolarHBondContact CB-OE2 3.39Å; T136-E141 PolarHBondContact OG1-OE2 3.4Å; R138-E141 HydrophobicContact CB-CG 4.14Å; R138-E141 IonicContact CZ-OE1 3.48Å; R138-E141 PolarHBondContact N-OE2 2.82Å; R138-E141 IonicContact NE-OE1 2.92Å; R138-E141 PolarHBondContact NE-OE1 2.02Å; R138-E141 IonicContact NE-OE2 3.71Å; R138-E141 IonicContact NH2-OE1 3.56Å; R138-E141 PolarHBondContact NH2-OE1 3.41Å; R138-E141 WeakPolarHBondContact O-CB 3.5Å; R138-E141 PolarHBondContact O-N 2.91Å; H139-E141 PolarHBondContact O-N 3.05Å; E141-C165 PolarHBondContact O-N 3.23Å |
| 142 | K | 91.5 | Very high | 90.7 | Very high | 132 Ų | 132 | 72.4 Ų | 72.4 | 57% | 0.574 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -98.7 | 140.6 | 178.8 | 68.3 | -178.4 | -177.4 | 177.9 | 0 | 111.3 | V162 S163 L164 | K142-V162 HydrophobicContact CB-CG1 3.87Å; K142-S163 CarbonylContact C-O 2.98Å; K142-S163 VanDerWaalsContact CA-O 3.24Å; K142-S163 WeakPolarHBondContact CA-O 3.29Å; K142-L164 HydrophobicContact CB-CD2 4.11Å |
| 143 | L | 92.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 74.2 Ų | 74.2 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 136.1 | 173.8 | -162.5 | 64.2 | 0 | 0 | 0 | 110.3 | P125 I127 I132 Y137 V145 S163 W171 L174 | P125-L143 HydrophobicContact CB-CD2 4.04Å; P125-L143 HydrophobicContact CG-CD1 3.72Å; P125-L143 HydrophobicContact CG-CD2 3.74Å; P125-L143 HydrophobicContact CG-CG 4.41Å; I127-L143 HydrophobicContact CD1-CD2 3.82Å; I132-L143 HydrophobicContact CG2-CD1 3.79Å; Y137-L143 HydrophobicContact CD1-CD1 4.35Å; Y137-L143 HydrophobicContact CE1-CD1 4.02Å; L143-V145 HydrophobicContact CB-CG2 4.43Å; L143-V145 HydrophobicContact CD2-CG2 3.53Å; L143-V145 HydrophobicContact CG-CG2 3.58Å; L143-S163 PolarHBondContact N-O 2.92Å; L143-W171 HydrophobicContact CB-CE3 4.21Å; L143-W171 HydrophobicContact CB-CH2 3.99Å; L143-W171 HydrophobicContact CB-CZ3 3.73Å; L143-W171 HydrophobicContact CD1-CH2 3.89Å; L143-W171 HydrophobicContact CD1-CZ2 3.96Å; L143-W171 HydrophobicContact CD1-CZ3 4.48Å; L143-W171 HydrophobicContact CG-CH2 4.46Å; L143-L174 HydrophobicContact CD2-CD2 3.9Å |
| 144 | I | 92.3 | Very high | 90.8 | Very high | 65 Ų | 65 | 75.7 Ų | 75.7 | 33% | 0.333 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 106.7 | 175.8 | -55.6 | 179.5 | 0 | 0 | 0 | 108 | H133 N134 | H133-I144 HydrophobicContact CB-CB 4.25Å; H133-I144 HydrophobicContact CB-CG2 3.98Å; H133-I144 PolarHBondContact N-O 2.89Å; N134-I144 HydrophobicContact CB-CD1 4.34Å |
| 145 | V | 94.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 71.6 Ų | 71.6 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.2 | -174.7 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | I127 A130 D131 L143 I153 P175 | I127-V145 HydrophobicContact CD1-CG1 4.13Å; I127-V145 HydrophobicContact CD1-CG2 3.76Å; A130-V145 HydrophobicContact CB-CG1 3.8Å; D131-V145 WeakPolarHBondContact O-CA 3.34Å; L143-V145 HydrophobicContact CB-CG2 4.43Å; L143-V145 HydrophobicContact CD2-CG2 3.53Å; L143-V145 HydrophobicContact CG-CG2 3.58Å; V145-I153 HydrophobicContact CB-CD1 4.32Å; V145-P175 HydrophobicContact CG2-CG 4.24Å |
| 146 | T | 95.3 | Very high | 91.7 | Very high | 68 Ų | 68 | 69 Ų | 69 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.6 | 167.7 | -55 | 0 | 0 | 0 | 0 | 108.5 | A130 D131 H133 | A130-T146 WeakPolarHBondContact CA-O 3.01Å; D131-T146 PolarHBondContact N-O 2.91Å; D131-T146 PolarHBondContact O-N 3.13Å; H133-T146 PolarHBondContact CD2-OG1 3.34Å; H133-T146 WeakPolarHBondContact NE2-CB 3.24Å; H133-T146 PolarHBondContact NE2-OG1 3.26Å |
| 147 | C | 96.2 | Very high | 92.2 | Very high | 22 Ų | 22 | 69 Ų | 69 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 151.4 | 174.2 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | I153 C177 | C147-I153 PolarHBondContact SG-N 3.11Å; C147-I153 VanDerWaalsContact SG-N 3.4Å; C147-C177 WeakPolarHBondContact CA-SG 3.48Å; C147-C177 HydrophobicContact CB-CB 3.66Å; C147-C177 WeakPolarHBondContact CB-SG 3.31Å; C147-C177 WeakPolarHBondContact SG-CA 2.99Å; C147-C177 WeakPolarHBondContact SG-CB 3.26Å; C147-C177 CovalentContact SG-SG 2.03Å; C147-C177 PolarHBondContact SG-SG 3.47Å |
| 148 | H | 96.2 | Very high | 92.3 | Very high | 75 Ų | 75 | 74.3 Ų | 74.3 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 164.7 | 171.8 | -65.3 | 164.7 | 0 | 0 | 0 | 111.6 | D129 D131 G150 Y151 | D129-H148 PolarHBondContact O-N 3.5Å; D131-H148 VanDerWaalsContact CG-NE2 3.31Å; D131-H148 IonicContact OD1-CD2 3.4Å; D131-H148 IonicContact OD1-CE1 2.66Å; D131-H148 IonicContact OD1-NE2 3.97Å; D131-H148 PolarHBondContact OD1-NE2 3.31Å; D131-H148 IonicContact OD2-CD2 3.79Å; D131-H148 IonicContact OD2-NE2 3.56Å; D131-H148 PolarHBondContact OD2-NE2 2.88Å; H148-G150 PolarHBondContact O-N 3.49Å; H148-Y151 PolarHBondContact O-N 3.33Å; H148-Y151 VanDerWaalsContact O-N 3.14Å |
| 149 | E | 94.9 | Very high | 92.5 | Very high | 191 Ų | 191 | 78.7 Ų | 78.7 | 89% | 0.893 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 135.2 | -174.2 | -171.6 | 172 | -174.4 | 0 | 0 | 111.9 | Y151 | E149-Y151 VanDerWaalsContact C-N 3.34Š|
| 150 | G | 94.2 | Very high | 92.7 | Very high | 19 Ų | 19 | 77.7 Ų | 77.7 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -3.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H148 P201 V202 | H148-G150 PolarHBondContact O-N 3.49Å; G150-P201 WeakPolarHBondContact O-CA 3.42Å; G150-V202 WeakPolarHBondContact O-CG2 3.43Å; G150-V202 PolarHBondContact O-N 2.92Å |
| 151 | Y | 96.3 | Very high | 93 | Very high | 36 Ų | 36 | 82.5 Ų | 82.5 | 14% | 0.141 | 40% | 0.399 | C | S | . | . | trans | -107.9 | 159.3 | 173 | -65.5 | -107.8 | 0 | 0 | 0 | 111.2 | D129 H148 E149 C177 S199 P201 | D129-Y151 HydrophobicContact CB-CD1 4.05Å; D129-Y151 HydrophobicContact CB-CD2 4.18Å; D129-Y151 HydrophobicContact CB-CE1 3.76Å; D129-Y151 HydrophobicContact CB-CE2 3.94Å; D129-Y151 HydrophobicContact CB-CG 4.24Å; D129-Y151 VanDerWaalsContact CG-CZ 3.44Å; D129-Y151 VanDerWaalsContact CG-OH 3.24Å; D129-Y151 WeakPolarHBondContact OD2-CE1 3.4Å; D129-Y151 PolarHBondContact OD2-OH 2.83Å; H148-Y151 PolarHBondContact O-N 3.33Å; H148-Y151 VanDerWaalsContact O-N 3.14Å; E149-Y151 VanDerWaalsContact C-N 3.34Å; Y151-C177 HydrophobicContact CD1-CB 4.41Å; Y151-C177 WeakPolarHBondContact CD1-O 2.96Å; Y151-S199 WeakPolarHBondContact CE1-OG 3.49Å; Y151-P201 HydrophobicContact CD2-CB 3.91Å; Y151-P201 HydrophobicContact CE2-CB 3.53Å; Y151-P201 HydrophobicContact CE2-CG 3.85Å | ||
| 152 | K | 94.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 82.5 Ų | 82.5 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146.2 | 170.7 | -56.4 | -175.1 | -172.7 | 177.5 | 0 | 110.8 | R154 Q178 H226 L228 | K152-R154 PolarHBondContact O-N 2.88Å; K152-Q178 PolarHBondContact N-O 2.85Å; K152-Q178 PolarHBondContact O-N 2.85Å; K152-H226 WeakPolarHBondContact CE-O 3.28Å; K152-H226 PolarHBondContact NZ-O 3.05Å; K152-L228 HydrophobicContact CB-CD1 4.03Å; K152-L228 HydrophobicContact CD-CD1 3.95Å; K152-L228 HydrophobicContact CD-CD2 4.39Å; K152-L228 HydrophobicContact CD-CG 4.16Å; K152-L228 HydrophobicContact CG-CD1 4.03Å; K152-L228 HydrophobicContact CG-CD2 4.36Å; K152-L228 HydrophobicContact CG-CG 4.48Å |
| 153 | I | 93.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 76.2 Ų | 76.2 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 130.2 | 176.5 | -160.9 | 170.1 | 0 | 0 | 0 | 110.1 | V145 C147 Y155 P175 | V145-I153 HydrophobicContact CB-CD1 4.32Å; C147-I153 PolarHBondContact SG-N 3.11Å; C147-I153 VanDerWaalsContact SG-N 3.4Å; I153-Y155 HydrophobicContact CD1-CE2 3.77Å; I153-Y155 HydrophobicContact CG1-CD2 4.5Å; I153-Y155 HydrophobicContact CG1-CE2 3.94Å; I153-P175 HydrophobicContact CD1-CB 3.93Å; I153-P175 HydrophobicContact CD1-CG 4Å; I153-P175 HydrophobicContact CG1-CB 3.54Å; I153-P175 HydrophobicContact CG1-CG 4.13Å |
| 154 | R | 93.4 | Very high | 93.3 | Very high | 122 Ų | 122 | 79.2 Ų | 79.2 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.7 | 174.9 | -74.9 | -66 | -166.5 | 175.8 | 2.4 | 108.8 | K152 P175 I176 Q178 | K152-R154 PolarHBondContact O-N 2.88Å; R154-P175 CarbonylContact O-C 3.55Å; R154-P175 WeakPolarHBondContact O-CA 3.38Å; R154-P175 WeakPolarHBondContact O-CB 3.47Å; R154-I176 HydrophobicContact CB-CG1 3.93Å; R154-I176 PolarHBondContact N-O 2.96Å; R154-I176 PolarHBondContact O-N 3.15Å; R154-Q178 HydrophobicContact CB-CB 4.34Å; R154-Q178 HydrophobicContact CG-CB 3.9Å |
| 155 | Y | 94.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 76.2 Ų | 76.2 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | trans | -101.1 | 135.6 | 176.2 | -75.5 | -85.4 | 0 | 0 | 0 | 109.6 | I153 D157 M161 N173 P175 | I153-Y155 HydrophobicContact CD1-CE2 3.77Å; I153-Y155 HydrophobicContact CG1-CD2 4.5Å; I153-Y155 HydrophobicContact CG1-CE2 3.94Å; Y155-D157 VanDerWaalsContact CB-O 3.31Å; Y155-D157 WeakPolarHBondContact CB-O 3.23Å; Y155-M161 HydrophobicContact CD2-CB 3.99Å; Y155-M161 HydrophobicContact CE2-CB 4.13Å; Y155-M161 VanDerWaalsContact CE2-O 3.23Å; Y155-M161 WeakPolarHBondContact CE2-O 3.42Å; Y155-M161 VanDerWaalsContact CZ-C 3.48Å; Y155-M161 PolarHBondContact OH-O 2.98Å; Y155-N173 WeakPolarHBondContact CD1-ND2 3.22Å; Y155-N173 WeakPolarHBondContact CD1-O 2.99Å; Y155-P175 HydrophobicContact CD1-CB 3.87Å; Y155-P175 HydrophobicContact CD1-CG 4.5Å; Y155-P175 HydrophobicContact CD2-CB 4.45Å; Y155-P175 HydrophobicContact CE1-CB 3.69Å; Y155-P175 HydrophobicContact CE1-CG 3.9Å; Y155-P175 HydrophobicContact CE2-CB 4.3Å; Y155-P175 HydrophobicContact CG-CB 4.26Å | ||
| 156 | P | 92.9 | Very high | 92.9 | Very high | 94 Ų | 94 | 81 Ų | 81 | 61% | 0.61 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -55.9 | -48.5 | 172.9 | -27.9 | 33.9 | 0 | 0 | 0 | 113.2 | N173 L174 | P156-N173 VanDerWaalsContact CD-OD1 3.25Å; P156-N173 WeakPolarHBondContact CD-OD1 3.43Å; P156-L174 WeakPolarHBondContact CD-O 3.2Å; P156-L174 WeakPolarHBondContact CG-O 3.26Å |
| 157 | D | 92.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 81 Ų | 81 | 35% | 0.348 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -82.4 | 119.3 | 165.4 | 177.4 | 11.3 | 0 | 0 | 0 | 110 | Y155 Y159 N160 N173 | Y155-D157 VanDerWaalsContact CB-O 3.31Å; Y155-D157 WeakPolarHBondContact CB-O 3.23Å; D157-Y159 VanDerWaalsContact C-N 3.35Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.36Å; D157-Y159 WeakPolarHBondContact OD1-CD2 3.48Å; D157-Y159 PolarHBondContact OD1-N 3.02Å; D157-N160 WeakPolarHBondContact OD2-CB 3.03Å; D157-N173 PolarHBondContact N-OD1 3.25Å; D157-N173 PolarHBondContact O-ND2 3.03Å |
| 158 | L | 89.7 | Confident | 91.4 | Very high | 142 Ų | 142 | 82.7 Ų | 82.7 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -78.4 | -16.3 | -179.6 | -65.1 | 173 | 0 | 0 | 0 | 113.3 | ||
| 159 | Y | 89.4 | Confident | 90.7 | Very high | 224 Ų | 224 | 79.4 Ų | 79.4 | 88% | 0.878 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -88.2 | -29.2 | 178.5 | -59.1 | -77.3 | 0 | 0 | 0 | 112.2 | D157 | D157-Y159 VanDerWaalsContact C-N 3.35Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.36Å; D157-Y159 WeakPolarHBondContact OD1-CD2 3.48Å; D157-Y159 PolarHBondContact OD1-N 3.02Å |
| 160 | N | 89.5 | Confident | 90.5 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | trans | -111.3 | 89.6 | 178.9 | -178.9 | 17.4 | 0 | 0 | 0 | 112.4 | D157 V162 D172 N173 | D157-N160 WeakPolarHBondContact OD2-CB 3.03Å; N160-V162 PolarHBondContact ND2-O 3.42Å; N160-V162 PolarHBondContact O-N 3.28Å; N160-V162 PolarHBondContact OD1-N 3.47Å; N160-V162 PolarHBondContact OD1-O 3.29Å; N160-D172 PolarHBondContact ND2-OD2 2.68Å; N160-D172 VanDerWaalsContact ND2-OD2 3.09Å; N160-N173 PolarHBondContact O-ND2 3.35Å | ||
| 161 | M | 91.8 | Very high | 90.3 | Very high | 149 Ų | 149 | 73 Ų | 73 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | trans | -78.4 | 32.3 | 178.9 | 64.2 | 176.4 | 177 | 0 | 0 | 115.2 | Y155 | Y155-M161 HydrophobicContact CD2-CB 3.99Å; Y155-M161 HydrophobicContact CE2-CB 4.13Å; Y155-M161 VanDerWaalsContact CE2-O 3.23Å; Y155-M161 WeakPolarHBondContact CE2-O 3.42Å; Y155-M161 VanDerWaalsContact CZ-C 3.48Å; Y155-M161 PolarHBondContact OH-O 2.98Å | ||
| 162 | V | 92.1 | Very high | 90.1 | Very high | 50 Ų | 50 | 74.2 Ų | 74.2 | 30% | 0.303 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -139.1 | 142.2 | -179.3 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | K142 N160 L164 | K142-V162 HydrophobicContact CB-CG1 3.87Å; N160-V162 PolarHBondContact ND2-O 3.42Å; N160-V162 PolarHBondContact O-N 3.28Å; N160-V162 PolarHBondContact OD1-N 3.47Å; N160-V162 PolarHBondContact OD1-O 3.29Å; V162-L164 HydrophobicContact CG1-CD2 4.34Å; V162-L164 HydrophobicContact CG1-CG 4.25Å |
| 163 | S | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -97.6 | 123.1 | 163.5 | -37.8 | 0 | 0 | 0 | 0 | 110.3 | K142 L143 D172 N173 P175 | K142-S163 CarbonylContact C-O 2.98Å; K142-S163 VanDerWaalsContact CA-O 3.24Å; K142-S163 WeakPolarHBondContact CA-O 3.29Å; L143-S163 PolarHBondContact N-O 2.92Å; S163-D172 VanDerWaalsContact CA-OD1 3.29Å; S163-D172 WeakPolarHBondContact CA-OD1 3.18Å; S163-N173 WeakPolarHBondContact CB-O 3.44Å; S163-N173 PolarHBondContact OG-O 3.14Å; S163-P175 WeakPolarHBondContact OG-CD 3.09Å | ||
| 164 | L | 92.8 | Very high | 90.1 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 38% | 0.382 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -109 | 137 | 173.3 | -67.7 | 166.8 | 0 | 0 | 0 | 110 | K142 V162 R166 D172 | K142-L164 HydrophobicContact CB-CD2 4.11Å; V162-L164 HydrophobicContact CG1-CD2 4.34Å; V162-L164 HydrophobicContact CG1-CG 4.25Å; L164-R166 PolarHBondContact O-N 2.97Å; L164-D172 PolarHBondContact N-OD1 2.84Å; L164-D172 PolarHBondContact O-N 2.71Å |
| 165 | C | 90.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 120.8 | 171.7 | 174.5 | 0 | 0 | 0 | 0 | 110 | C122 Y137 R138 H139 G140 E141 W171 | C122-C165 HydrophobicContact CB-CB 3.85Å; C122-C165 WeakPolarHBondContact CB-SG 3.29Å; C122-C165 WeakPolarHBondContact SG-CA 3.39Å; C122-C165 WeakPolarHBondContact SG-CB 3.44Å; C122-C165 CovalentContact SG-SG 2.02Å; C122-C165 PolarHBondContact SG-SG 2.66Å; Y137-C165 PolarHBondContact O-SG 2.94Å; R138-C165 VanDerWaalsContact O-CB 3.31Å; R138-C165 WeakPolarHBondContact O-CB 2.54Å; H139-C165 PolarHBondContact CD2-O 2.03Å; G140-C165 PolarHBondContact N-O 3.4Å; E141-C165 PolarHBondContact O-N 3.23Å; C165-W171 HydrophobicContact CB-CE3 4.15Å; C165-W171 HydrophobicContact CB-CH2 3.97Å; C165-W171 HydrophobicContact CB-CZ2 4.46Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å |
| 166 | R | 87 | Confident | 90.2 | Very high | 119 Ų | 119 | 66.7 Ų | 66.7 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | trans | -91.3 | 160.1 | -176.9 | -61 | 179.8 | 69.8 | -125.3 | -2.8 | 112.9 | H139 L164 D168 G169 T170 D172 | H139-R166 VanDerWaalsContact CD2-C 3.45Å; L164-R166 PolarHBondContact O-N 2.97Å; R166-D168 WeakPolarHBondContact CB-OD1 3.35Å; R166-D168 IonicContact CZ-OD2 3.64Å; R166-D168 IonicContact NH1-OD1 3.02Å; R166-D168 IonicContact NH1-OD2 2.69Å; R166-D168 PolarHBondContact NH1-OD2 2.63Å; R166-D168 IonicContact NH2-OD2 3.58Å; R166-D168 PolarHBondContact O-N 3.31Å; R166-G169 PolarHBondContact O-N 3.21Å; R166-T170 VanDerWaalsContact CB-O 3.29Å; R166-T170 WeakPolarHBondContact CB-O 3.4Å; R166-T170 PolarHBondContact N-O 3.37Å; R166-D172 HydrophobicContact CG-CB 4Å | ||
| 167 | N | 79.8 | Confident | 90.3 | Very high | 67 Ų | 67 | 62.8 Ų | 62.8 | 36% | 0.358 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -21.4 | 176.9 | -80.2 | -18.1 | 0 | 0 | 0 | 116.6 | G88 H139 | G88-N167 VanDerWaalsContact CA-CB 3.45Å; G88-N167 WeakPolarHBondContact CA-OD1 3.44Å; G88-N167 VanDerWaalsContact N-CG 3.29Å; G88-N167 PolarHBondContact N-ND2 3.09Å; H139-N167 PolarHBondContact CD2-N 3.34Å; H139-N167 VanDerWaalsContact CD2-N 3.34Å; H139-N167 PolarHBondContact CD2-OD1 2.8Å; H139-N167 VanDerWaalsContact CD2-OD1 3.26Å; H139-N167 PolarHBondContact CE1-OD1 2.72Å; H139-N167 PolarHBondContact NE2-OD1 2.89Å |
| 168 | D | 79.8 | Confident | 90.5 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.4 | -177.8 | 56.1 | 13 | 0 | 0 | 0 | 113.9 | R90 R166 T170 | R90-D168 PolarHBondContact NH1-O 3.38Å; R166-D168 WeakPolarHBondContact CB-OD1 3.35Å; R166-D168 IonicContact CZ-OD2 3.64Å; R166-D168 IonicContact NH1-OD1 3.02Å; R166-D168 IonicContact NH1-OD2 2.69Å; R166-D168 PolarHBondContact NH1-OD2 2.63Å; R166-D168 IonicContact NH2-OD2 3.58Å; R166-D168 PolarHBondContact O-N 3.31Å; D168-T170 VanDerWaalsContact CG-OG1 3.31Å; D168-T170 WeakPolarHBondContact OD1-CB 3.31Å; D168-T170 PolarHBondContact OD1-N 2.59Å; D168-T170 PolarHBondContact OD1-OG1 2.66Å; D168-T170 PolarHBondContact OD2-OG1 2.85Å |
| 169 | G | 82.8 | Confident | 90.8 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 81.4 | 15.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C122 R123 R166 | C122-G169 WeakPolarHBondContact CA-O 3.35Å; C122-G169 VanDerWaalsContact SG-C 3.53Å; R123-G169 PolarHBondContact N-O 3.44Å; R123-G169 VanDerWaalsContact N-O 3.15Å; R166-G169 PolarHBondContact O-N 3.21Å |
| 170 | T | 88.9 | Confident | 91.1 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | trans | -109 | 155.7 | 175.9 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | C122 R166 D168 | C122-T170 PolarHBondContact SG-O 3.31Å; R166-T170 VanDerWaalsContact CB-O 3.29Å; R166-T170 WeakPolarHBondContact CB-O 3.4Å; R166-T170 PolarHBondContact N-O 3.37Å; D168-T170 VanDerWaalsContact CG-OG1 3.31Å; D168-T170 WeakPolarHBondContact OD1-CB 3.31Å; D168-T170 PolarHBondContact OD1-N 2.59Å; D168-T170 PolarHBondContact OD1-OG1 2.66Å; D168-T170 PolarHBondContact OD2-OG1 2.85Å | ||
| 171 | W | 91.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -88.2 | 137.3 | 169.3 | -65.5 | 98.3 | 0 | 0 | 0 | 109.1 | C122 R123 P125 Y137 L143 C165 L174 | C122-W171 HydrophobicContact CB-CD2 4.26Å; C122-W171 HydrophobicContact CB-CZ2 3.91Å; R123-W171 PolarHBondContact O-NE1 3.48Å; P125-W171 HydrophobicContact CG-CZ2 4.46Å; Y137-W171 HydrophobicContact CD1-CH2 4.17Å; Y137-W171 AromaticContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CE1-CZ2 4.49Å; Y137-W171 HydrophobicContact CG-CZ2 4.18Å; L143-W171 HydrophobicContact CB-CE3 4.21Å; L143-W171 HydrophobicContact CB-CH2 3.99Å; L143-W171 HydrophobicContact CB-CZ3 3.73Å; L143-W171 HydrophobicContact CD1-CH2 3.89Å; L143-W171 HydrophobicContact CD1-CZ2 3.96Å; L143-W171 HydrophobicContact CD1-CZ3 4.48Å; L143-W171 HydrophobicContact CG-CH2 4.46Å; C165-W171 HydrophobicContact CB-CE3 4.15Å; C165-W171 HydrophobicContact CB-CH2 3.97Å; C165-W171 HydrophobicContact CB-CZ2 4.46Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å; W171-L174 HydrophobicContact CB-CD1 4.14Å; W171-L174 HydrophobicContact CB-CD2 3.62Å; W171-L174 HydrophobicContact CB-CG 3.58Å; W171-L174 HydrophobicContact CD2-CD2 4.18Å; W171-L174 HydrophobicContact CG-CD1 4.43Å; W171-L174 HydrophobicContact CG-CD2 3.58Å; W171-L174 HydrophobicContact CG-CG 4.05Å |
| 172 | D | 91.9 | Very high | 91.4 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -67.2 | -44.6 | -180 | 63 | -16.8 | 0 | 0 | 0 | 113.5 | N160 S163 L164 R166 | N160-D172 PolarHBondContact ND2-OD2 2.68Å; N160-D172 VanDerWaalsContact ND2-OD2 3.09Å; S163-D172 VanDerWaalsContact CA-OD1 3.29Å; S163-D172 WeakPolarHBondContact CA-OD1 3.18Å; L164-D172 PolarHBondContact N-OD1 2.84Å; L164-D172 PolarHBondContact O-N 2.71Å; R166-D172 HydrophobicContact CG-CB 4Å |
| 173 | N | 93.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -148.7 | 80.3 | -171.6 | -167.7 | 30.7 | 0 | 0 | 0 | 110.7 | Y155 P156 D157 N160 S163 | Y155-N173 WeakPolarHBondContact CD1-ND2 3.22Å; Y155-N173 WeakPolarHBondContact CD1-O 2.99Å; P156-N173 VanDerWaalsContact CD-OD1 3.25Å; P156-N173 WeakPolarHBondContact CD-OD1 3.43Å; D157-N173 PolarHBondContact N-OD1 3.25Å; D157-N173 PolarHBondContact O-ND2 3.03Å; N160-N173 PolarHBondContact O-ND2 3.35Å; S163-N173 WeakPolarHBondContact CB-O 3.44Å; S163-N173 PolarHBondContact OG-O 3.14Å |
| 174 | L | 94.2 | Very high | 90.9 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | trans | -70 | 128.6 | 177.1 | -74.9 | 173.3 | 0 | 0 | 0 | 111 | P125 L143 P156 W171 | P125-L174 HydrophobicContact CB-CD1 4.48Å; P125-L174 HydrophobicContact CB-CD2 3.69Å; L143-L174 HydrophobicContact CD2-CD2 3.9Å; P156-L174 WeakPolarHBondContact CD-O 3.2Å; P156-L174 WeakPolarHBondContact CG-O 3.26Å; W171-L174 HydrophobicContact CB-CD1 4.14Å; W171-L174 HydrophobicContact CB-CD2 3.62Å; W171-L174 HydrophobicContact CB-CG 3.58Å; W171-L174 HydrophobicContact CD2-CD2 4.18Å; W171-L174 HydrophobicContact CG-CD1 4.43Å; W171-L174 HydrophobicContact CG-CD2 3.58Å; W171-L174 HydrophobicContact CG-CG 4.05Å | ||
| 175 | P | 95.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | trans | -77.2 | 158.4 | 176.3 | 32.7 | -36 | 0 | 0 | 0 | 111.1 | I127 V145 I153 R154 Y155 S163 | I127-P175 HydrophobicContact CD1-CG 4.05Å; V145-P175 HydrophobicContact CG2-CG 4.24Å; I153-P175 HydrophobicContact CD1-CB 3.93Å; I153-P175 HydrophobicContact CD1-CG 4Å; I153-P175 HydrophobicContact CG1-CB 3.54Å; I153-P175 HydrophobicContact CG1-CG 4.13Å; R154-P175 CarbonylContact O-C 3.55Å; R154-P175 WeakPolarHBondContact O-CA 3.38Å; R154-P175 WeakPolarHBondContact O-CB 3.47Å; Y155-P175 HydrophobicContact CD1-CB 3.87Å; Y155-P175 HydrophobicContact CD1-CG 4.5Å; Y155-P175 HydrophobicContact CD2-CB 4.45Å; Y155-P175 HydrophobicContact CE1-CB 3.69Å; Y155-P175 HydrophobicContact CE1-CG 3.9Å; Y155-P175 HydrophobicContact CE2-CB 4.3Å; Y155-P175 HydrophobicContact CG-CB 4.26Å; S163-P175 WeakPolarHBondContact OG-CD 3.09Å | ||
| 176 | I | 94.6 | Very high | 89.6 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 146 | 163 | 60.8 | 176.8 | 0 | 0 | 0 | 109.1 | R154 Q178 | R154-I176 HydrophobicContact CB-CG1 3.93Å; R154-I176 PolarHBondContact N-O 2.96Å; R154-I176 PolarHBondContact O-N 3.15Å; I176-Q178 HydrophobicContact CG1-CB 4.47Å |
| 177 | C | 95.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 49 Ų | 49 | 8% | 0.081 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113 | 167.1 | -73.1 | 0 | 0 | 0 | 0 | 108.2 | A130 C147 Y151 | A130-C177 VanDerWaalsContact CB-SG 3.56Å; C147-C177 WeakPolarHBondContact CA-SG 3.48Å; C147-C177 HydrophobicContact CB-CB 3.66Å; C147-C177 WeakPolarHBondContact CB-SG 3.31Å; C147-C177 WeakPolarHBondContact SG-CA 2.99Å; C147-C177 WeakPolarHBondContact SG-CB 3.26Å; C147-C177 CovalentContact SG-SG 2.03Å; C147-C177 PolarHBondContact SG-SG 3.47Å; Y151-C177 HydrophobicContact CD1-CB 4.41Å; Y151-C177 WeakPolarHBondContact CD1-O 2.96Å |
| 178 | Q | 95 | Very high | 89.7 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.7 | -171.2 | -161.3 | -166.9 | -43.6 | 0 | 0 | 110.4 | K152 R154 I176 L181 L228 | K152-Q178 PolarHBondContact N-O 2.85Å; K152-Q178 PolarHBondContact O-N 2.85Å; R154-Q178 HydrophobicContact CB-CB 4.34Å; R154-Q178 HydrophobicContact CG-CB 3.9Å; I176-Q178 HydrophobicContact CG1-CB 4.47Å; Q178-L181 HydrophobicContact CG-CD2 4.29Å; Q178-L228 VanDerWaalsContact O-CD1 3.27Å; Q178-L228 WeakPolarHBondContact O-CD1 3.41Å |
| 179 | G | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -97.7 | -141.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S199 F200 | G179-S199 PolarHBondContact N-OG 2.87Å; G179-F200 CarbonylContact C-O 3.59Å; G179-F200 VanDerWaalsContact CA-O 3.26Å; G179-F200 WeakPolarHBondContact CA-O 3.11Å | ||
| 180 | C | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.2 | 167.2 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | S199 F200 C224 W230 | C180-S199 CarbonylContact O-C 3.46Å; C180-S199 WeakPolarHBondContact O-CA 3.32Å; C180-F200 PolarHBondContact N-O 3.47Å; C180-F200 PolarHBondContact O-N 2.03Å; C180-C224 HydrophobicContact CB-CB 3.77Å; C180-C224 WeakPolarHBondContact CB-SG 3.47Å; C180-C224 PolarHBondContact N-SG 2.77Å; C180-C224 WeakPolarHBondContact SG-CA 3.37Å; C180-C224 WeakPolarHBondContact SG-CB 3.4Å; C180-C224 CovalentContact SG-SG 2.03Å; C180-C224 PolarHBondContact SG-SG 3.49Å; C180-W230 HydrophobicContact CB-CD2 4.17Å; C180-W230 HydrophobicContact CB-CH2 4.42Å; C180-W230 HydrophobicContact CB-CZ2 3.7Å |
| 181 | L | 94.6 | Very high | 90.6 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 56% | 0.56 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 148.4 | 174.5 | -68.7 | 174.6 | 0 | 0 | 0 | 111.1 | Q178 P183 W230 | Q178-L181 HydrophobicContact CG-CD2 4.29Å; L181-P183 WeakPolarHBondContact O-CD 3.42Å; L181-P183 VanDerWaalsContact O-N 3.11Å; L181-W230 PolarHBondContact O-NE1 2.91Å |
| 182 | R | 93.3 | Very high | 90.3 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 118.2 | 173.5 | -171.3 | -170.5 | -172.2 | 86 | -1.6 | 110.4 | I193 S194 Q197 T198 F200 | R182-I193 VanDerWaalsContact NH1-CG2 3.34Å; R182-I193 PolarHBondContact NH2-O 3.21Å; R182-S194 PolarHBondContact NH1-O 2.87Å; R182-S194 PolarHBondContact NH2-O 2.97Å; R182-Q197 PolarHBondContact NH1-O 3.4Å; R182-T198 PolarHBondContact N-O 2.87Å; R182-F200 HydrophobicContact CB-CE2 4Å; R182-F200 HydrophobicContact CG-CE2 4.13Å |
| 183 | P | 90 | Very high | 90.2 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 153.7 | 177 | 24.2 | -23.7 | 0 | 0 | 0 | 110.3 | L181 I206 Y208 L222 W230 P234 | L181-P183 WeakPolarHBondContact O-CD 3.42Å; L181-P183 VanDerWaalsContact O-N 3.11Å; P183-I206 HydrophobicContact CB-CD1 4.41Å; P183-I206 HydrophobicContact CG-CD1 3.25Å; P183-Y208 WeakPolarHBondContact CB-OH 3.37Å; P183-L222 HydrophobicContact CB-CD2 4.34Å; P183-W230 HydrophobicContact CG-CD2 4.42Å; P183-W230 HydrophobicContact CG-CZ2 3.93Å; P183-P234 HydrophobicContact CB-CG 3.88Å |
| 184 | L | 85.3 | Confident | 89.9 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 143.1 | -178.4 | -69 | 162.9 | 0 | 0 | 0 | 111.1 | Y208 P234 | L184-Y208 PolarHBondContact O-OH 3.43Å; L184-P234 HydrophobicContact CB-CG 4.35Å |
| 185 | A | 78.8 | Confident | 89.4 | Confident | 87 Ų | 87 | 63.5 Ų | 63.5 | 72% | 0.719 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 134.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S187 | A185-S187 PolarHBondContact O-N 2.87Š|
| 186 | S | 77.4 | Confident | 88.9 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -72 | 124.6 | 171.4 | 55.1 | 0 | 0 | 0 | 0 | 109.6 | G189 | S186-G189 PolarHBondContact O-N 3.45Š|
| 187 | S | 81.1 | Confident | 88.6 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 144.2 | 165.7 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | A185 G189 C237 | A185-S187 PolarHBondContact O-N 2.87Å; S187-G189 PolarHBondContact O-N 2.84Å; S187-C237 WeakPolarHBondContact O-CB 2.9Å |
| 188 | N | 88.6 | Confident | 88.4 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 28 | -178.3 | -48.4 | -46.6 | 0 | 0 | 0 | 115.1 | F211 F214 C237 | N188-F211 HydrophobicContact CB-CD2 4.45Å; N188-F211 WeakPolarHBondContact O-CD2 3.4Å; N188-F211 PolarHBondContact O-N 2.98Å; N188-F214 HydrophobicContact CB-CD1 3.47Å; N188-F214 VanDerWaalsContact CB-CD1 3.47Å; N188-F214 HydrophobicContact CB-CD2 4.06Å; N188-F214 HydrophobicContact CB-CE1 3.41Å; N188-F214 VanDerWaalsContact CB-CE1 3.41Å; N188-F214 HydrophobicContact CB-CE2 3.99Å; N188-F214 HydrophobicContact CB-CG 3.83Å; N188-F214 HydrophobicContact CB-CZ 3.68Å; N188-F214 VanDerWaalsContact ND2-CE1 3.28Å; N188-F214 WeakPolarHBondContact ND2-CE1 3.27Å; N188-C237 HydrophobicContact CB-CB 4.16Å; N188-C237 WeakPolarHBondContact O-CB 3.4Å |
| 189 | G | 89.9 | Confident | 88.3 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 12% | 0.124 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -179.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S186 S187 R209 F211 | S186-G189 PolarHBondContact O-N 3.45Å; S187-G189 PolarHBondContact O-N 2.84Å; G189-R209 CarbonylContact C-O 3.55Å; G189-R209 WeakPolarHBondContact CA-O 3.32Å; G189-F211 WeakPolarHBondContact O-CZ 3.44Å |
| 190 | Y | 89.4 | Confident | 88.3 | Confident | 112 Ų | 112 | 75 Ų | 75 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.2 | 179.3 | 64.6 | -81.4 | 0 | 0 | 0 | 110.9 | R209 F211 | Y190-R209 HydrophobicContact CD1-CB 4.09Å; Y190-R209 HydrophobicContact CD2-CB 4.37Å; Y190-R209 HydrophobicContact CE1-CB 3.57Å; Y190-R209 HydrophobicContact CE2-CB 3.9Å; Y190-R209 HydrophobicContact CE2-CG 4.35Å; Y190-R209 HydrophobicContact CG-CB 4.47Å; Y190-R209 VanDerWaalsContact CZ-CB 3.47Å; Y190-R209 PolarHBondContact N-O 3.21Å; Y190-R209 PolarHBondContact O-N 2.69Å; Y190-R209 WeakPolarHBondContact OH-CD 3.35Å; Y190-F211 AromaticContact CD1-CD1 3.78Å; Y190-F211 HydrophobicContact CD1-CD1 3.78Å; Y190-F211 AromaticContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CE1-CD1 4.39Å; Y190-F211 HydrophobicContact CG-CE1 4.27Å |
| 191 | V | 91.1 | Very high | 88.3 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 20% | 0.2 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.5 | 176.6 | 71.2 | 0 | 0 | 0 | 0 | 107.2 | I193 I206 Y208 | V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 HydrophobicContact CB-CD1 4.33Å; V191-I193 HydrophobicContact CB-CG1 4.44Å; V191-I193 HydrophobicContact CG1-CB 4.33Å; V191-I193 HydrophobicContact CG1-CD1 3.76Å; V191-I193 HydrophobicContact CG1-CG1 3.97Å; V191-I193 HydrophobicContact CG2-CD1 3.63Å; V191-I193 HydrophobicContact CG2-CG1 3.88Å; V191-I193 PolarHBondContact O-N 3.23Å; V191-I206 HydrophobicContact CG2-CB 4.32Å; V191-Y208 HydrophobicContact CB-CD1 4.07Å; V191-Y208 HydrophobicContact CB-CE1 4.09Å; V191-Y208 HydrophobicContact CB-CG 4.48Å; V191-Y208 HydrophobicContact CG1-CE1 4.41Å; V191-Y208 HydrophobicContact CG2-CD1 4.23Å; V191-Y208 HydrophobicContact CG2-CD2 4.17Å; V191-Y208 HydrophobicContact CG2-CE1 4.23Å; V191-Y208 HydrophobicContact CG2-CE2 4.15Å; V191-Y208 HydrophobicContact CG2-CG 4.21Å |
| 192 | N | 86.2 | Confident | 88.4 | Confident | 167 Ų | 167 | 74.3 Ų | 74.3 | 89% | 0.893 | 40% | 0.403 | S | S | * | . | trans | -83.5 | 73.9 | -173.1 | -170.2 | 20.7 | 0 | 0 | 0 | 111.4 | ||||
| 193 | I | 88.8 | Confident | 88.6 | Confident | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | trans | -136.7 | 126.4 | -174.6 | -54.5 | 177 | 0 | 0 | 0 | 110.1 | R182 V191 F200 I206 | R182-I193 VanDerWaalsContact NH1-CG2 3.34Å; R182-I193 PolarHBondContact NH2-O 3.21Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 HydrophobicContact CB-CD1 4.33Å; V191-I193 HydrophobicContact CB-CG1 4.44Å; V191-I193 HydrophobicContact CG1-CB 4.33Å; V191-I193 HydrophobicContact CG1-CD1 3.76Å; V191-I193 HydrophobicContact CG1-CG1 3.97Å; V191-I193 HydrophobicContact CG2-CD1 3.63Å; V191-I193 HydrophobicContact CG2-CG1 3.88Å; V191-I193 PolarHBondContact O-N 3.23Å; I193-F200 HydrophobicContact CG2-CE1 3.68Å; I193-F200 HydrophobicContact CG2-CE2 4.36Å; I193-F200 HydrophobicContact CG2-CZ 3.29Å; I193-I206 HydrophobicContact CD1-CB 4.17Å; I193-I206 HydrophobicContact CD1-CD1 3.91Å; I193-I206 HydrophobicContact CD1-CG2 3.81Å; I193-I206 HydrophobicContact CG1-CG2 4.23Å | ||
| 194 | S | 87.8 | Confident | 88.9 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 42% | 0.42 | 42% | 0.415 | S | S | . | . | trans | -54.6 | 136.1 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | R182 F196 Q197 | R182-S194 PolarHBondContact NH1-O 2.87Å; R182-S194 PolarHBondContact NH2-O 2.97Å; S194-F196 PolarHBondContact O-N 2.82Å; S194-Q197 PolarHBondContact O-N 2.98Å | ||
| 195 | E | 83.5 | Confident | 89.4 | Confident | 165 Ų | 165 | 70.4 Ų | 70.4 | 77% | 0.771 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.6 | -178.3 | -63.5 | -173.9 | 155.7 | 0 | 0 | 113.2 | ||
| 196 | F | 85.3 | Confident | 90.1 | Very high | 178 Ų | 178 | 66.8 Ų | 66.8 | 78% | 0.781 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -15.2 | -177.2 | -52.3 | -70.8 | 0 | 0 | 0 | 114.2 | S194 T198 | S194-F196 PolarHBondContact O-N 2.82Å; F196-T198 PolarHBondContact O-N 2.84Å |
| 197 | Q | 87.6 | Confident | 90.9 | Very high | 92 Ų | 92 | 67.9 Ų | 67.9 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | trans | -79 | 111.8 | -179.3 | -78.2 | 178.4 | -48.2 | 0 | 0 | 111.8 | R182 S194 F200 | R182-Q197 PolarHBondContact NH1-O 3.4Å; S194-Q197 PolarHBondContact O-N 2.98Å; Q197-F200 HydrophobicContact CB-CE1 3.96Å; Q197-F200 HydrophobicContact CB-CE2 4.46Å; Q197-F200 HydrophobicContact CB-CZ 3.59Å | ||
| 198 | T | 90.6 | Very high | 91.4 | Very high | 96 Ų | 96 | 63.7 Ų | 63.7 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | trans | -96 | -16.7 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | R182 F196 | R182-T198 PolarHBondContact N-O 2.87Å; F196-T198 PolarHBondContact O-N 2.84Å | ||
| 199 | S | 93.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148 | -172.4 | 173 | 0 | 0 | 0 | 0 | 111 | Y151 G179 C180 | Y151-S199 WeakPolarHBondContact CE1-OG 3.49Å; G179-S199 PolarHBondContact N-OG 2.87Å; C180-S199 CarbonylContact O-C 3.46Å; C180-S199 WeakPolarHBondContact O-CA 3.32Å |
| 200 | F | 95.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 133.1 | -177.5 | -62.8 | -84.5 | 0 | 0 | 0 | 111.6 | G179 C180 R182 I193 Q197 T204 C224 W230 | G179-F200 CarbonylContact C-O 3.59Å; G179-F200 VanDerWaalsContact CA-O 3.26Å; G179-F200 WeakPolarHBondContact CA-O 3.11Å; C180-F200 PolarHBondContact N-O 3.47Å; C180-F200 PolarHBondContact O-N 2.03Å; R182-F200 HydrophobicContact CB-CE2 4Å; R182-F200 HydrophobicContact CG-CE2 4.13Å; I193-F200 HydrophobicContact CG2-CE1 3.68Å; I193-F200 HydrophobicContact CG2-CE2 4.36Å; I193-F200 HydrophobicContact CG2-CZ 3.29Å; Q197-F200 HydrophobicContact CB-CE1 3.96Å; Q197-F200 HydrophobicContact CB-CE2 4.46Å; Q197-F200 HydrophobicContact CB-CZ 3.59Å; F200-T204 HydrophobicContact CB-CG2 4.14Å; F200-T204 HydrophobicContact CD1-CG2 4.02Å; F200-T204 HydrophobicContact CG-CG2 4.4Å; F200-C224 PolarHBondContact O-SG 3.03Å; F200-W230 HydrophobicContact CB-CH2 3.9Å; F200-W230 HydrophobicContact CB-CZ2 4.01Å; F200-W230 HydrophobicContact CD2-CH2 4.29Å; F200-W230 AromaticContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CG-CH2 4.06Å; F200-W230 HydrophobicContact CG-CZ2 4.05Å |
| 201 | P | 96.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 66.4 Ų | 66.4 | 25% | 0.253 | 36% | 0.359 | S | S | . | . | trans | -64.7 | 153 | 178.8 | 21.5 | -27.6 | 0 | 0 | 0 | 112.4 | G150 Y151 G203 T204 | G150-P201 WeakPolarHBondContact O-CA 3.42Å; Y151-P201 HydrophobicContact CD2-CB 3.91Å; Y151-P201 HydrophobicContact CE2-CB 3.53Å; Y151-P201 HydrophobicContact CE2-CG 3.85Å; P201-G203 PolarHBondContact O-N 2.87Å; P201-T204 VanDerWaalsContact CD-OG1 3.31Å; P201-T204 WeakPolarHBondContact CD-OG1 3.27Å; P201-T204 WeakPolarHBondContact CG-OG1 3.29Å; P201-T204 WeakPolarHBondContact O-CB 3.31Å; P201-T204 PolarHBondContact O-N 2.7Å; P201-T204 PolarHBondContact O-OG1 3.32Å | ||
| 202 | V | 97.3 | Very high | 91.2 | Very high | 53 Ų | 53 | 70 Ų | 70 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 137 | 169 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | G150 T204 C224 H226 L228 | G150-V202 WeakPolarHBondContact O-CG2 3.43Å; G150-V202 PolarHBondContact O-N 2.92Å; V202-T204 VanDerWaalsContact C-N 3.31Å; V202-C224 WeakPolarHBondContact CA-O 3.25Å; V202-H226 HydrophobicContact CG1-CB 4.29Å; V202-L228 HydrophobicContact CG2-CD2 3.73Å |
| 203 | G | 96.2 | Very high | 90.7 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 46% | 0.464 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -5.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P201 V205 C224 | P201-G203 PolarHBondContact O-N 2.87Å; G203-V205 PolarHBondContact O-N 2.74Å; G203-C224 PolarHBondContact N-O 2.97Å |
| 204 | T | 96.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 63.7 Ų | 63.7 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | trans | -62.8 | 127.7 | 169.2 | -59.2 | 0 | 0 | 0 | 0 | 110 | F200 P201 V202 I206 E223 C224 W230 | F200-T204 HydrophobicContact CB-CG2 4.14Å; F200-T204 HydrophobicContact CD1-CG2 4.02Å; F200-T204 HydrophobicContact CG-CG2 4.4Å; P201-T204 VanDerWaalsContact CD-OG1 3.31Å; P201-T204 WeakPolarHBondContact CD-OG1 3.27Å; P201-T204 WeakPolarHBondContact CG-OG1 3.29Å; P201-T204 WeakPolarHBondContact O-CB 3.31Å; P201-T204 PolarHBondContact O-N 2.7Å; P201-T204 PolarHBondContact O-OG1 3.32Å; V202-T204 VanDerWaalsContact C-N 3.31Å; T204-I206 HydrophobicContact CG2-CG2 4.1Å; T204-E223 CarbonylContact O-C 3.56Å; T204-E223 WeakPolarHBondContact O-CA 3.35Å; T204-C224 PolarHBondContact O-N 2.97Å; T204-W230 HydrophobicContact CG2-CH2 4.36Å | ||
| 205 | V | 95.6 | Very high | 90.5 | Very high | 84 Ų | 84 | 67.4 Ų | 67.4 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.6 | 171.2 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | G203 Y221 L222 E223 | G203-V205 PolarHBondContact O-N 2.74Å; V205-Y221 HydrophobicContact CG1-CD1 4.2Å; V205-L222 WeakPolarHBondContact CA-O 3.46Å; V205-E223 HydrophobicContact CG2-CB 4.09Å; V205-E223 HydrophobicContact CG2-CG 4.01Å |
| 206 | I | 94.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.1 | 174.2 | 64.7 | 175 | 0 | 0 | 0 | 110 | P183 V191 I193 T204 Y208 Y221 L222 W230 | P183-I206 HydrophobicContact CB-CD1 4.41Å; P183-I206 HydrophobicContact CG-CD1 3.25Å; V191-I206 HydrophobicContact CG2-CB 4.32Å; I193-I206 HydrophobicContact CD1-CB 4.17Å; I193-I206 HydrophobicContact CD1-CD1 3.91Å; I193-I206 HydrophobicContact CD1-CG2 3.81Å; I193-I206 HydrophobicContact CG1-CG2 4.23Å; T204-I206 HydrophobicContact CG2-CG2 4.1Å; I206-Y208 HydrophobicContact CD1-CD2 4.49Å; I206-Y208 HydrophobicContact CD1-CE2 3.6Å; I206-Y208 HydrophobicContact CG1-CE2 4.09Å; I206-Y221 WeakPolarHBondContact O-CA 3.27Å; I206-L222 HydrophobicContact CD1-CB 4.08Å; I206-L222 HydrophobicContact CG1-CB 3.71Å; I206-L222 PolarHBondContact N-O 2.86Å; I206-L222 PolarHBondContact O-N 2.88Å; I206-W230 HydrophobicContact CD1-CH2 4.17Å; I206-W230 HydrophobicContact CD1-CZ2 4.48Å; I206-W230 HydrophobicContact CD1-CZ3 4.2Å; I206-W230 HydrophobicContact CG1-CH2 4.4Å; I206-W230 HydrophobicContact CG1-CZ3 4.09Å; I206-W230 HydrophobicContact CG2-CH2 4.17Å; I206-W230 HydrophobicContact CG2-CZ3 4.42Å |
| 207 | A | 93.4 | Very high | 91.3 | Very high | 35 Ų | 35 | 58 Ų | 58 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E220 Y221 | A207-E220 WeakPolarHBondContact CA-O 3.49Å; A207-Y221 HydrophobicContact CB-CD1 3.88Å; A207-Y221 HydrophobicContact CB-CE1 3.66Å |
| 208 | Y | 93.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 144.6 | 176.6 | -78.7 | -96.9 | 0 | 0 | 0 | 111 | P183 L184 V191 I206 L216 E220 L222 P234 P235 | P183-Y208 WeakPolarHBondContact CB-OH 3.37Å; L184-Y208 PolarHBondContact O-OH 3.43Å; V191-Y208 HydrophobicContact CB-CD1 4.07Å; V191-Y208 HydrophobicContact CB-CE1 4.09Å; V191-Y208 HydrophobicContact CB-CG 4.48Å; V191-Y208 HydrophobicContact CG1-CE1 4.41Å; V191-Y208 HydrophobicContact CG2-CD1 4.23Å; V191-Y208 HydrophobicContact CG2-CD2 4.17Å; V191-Y208 HydrophobicContact CG2-CE1 4.23Å; V191-Y208 HydrophobicContact CG2-CE2 4.15Å; V191-Y208 HydrophobicContact CG2-CG 4.21Å; I206-Y208 HydrophobicContact CD1-CD2 4.49Å; I206-Y208 HydrophobicContact CD1-CE2 3.6Å; I206-Y208 HydrophobicContact CG1-CE2 4.09Å; Y208-L216 WeakPolarHBondContact O-CD1 3.48Å; Y208-E220 PolarHBondContact N-O 3.44Å; Y208-L222 HydrophobicContact CD2-CD1 4.2Å; Y208-L222 HydrophobicContact CE2-CD1 4.14Å; Y208-L222 HydrophobicContact CE2-CD2 4.14Å; Y208-P234 HydrophobicContact CE1-CB 4.39Å; Y208-P235 VanDerWaalsContact CB-CG 3.5Å; Y208-P235 HydrophobicContact CD1-CG 4.01Å; Y208-P235 HydrophobicContact CD2-CG 4.05Å; Y208-P235 HydrophobicContact CG-CG 3.6Å |
| 209 | R | 91.9 | Very high | 91.8 | Very high | 135 Ų | 135 | 54 Ų | 54 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 142.6 | 175.9 | -65.1 | -176.5 | 178.4 | -173.6 | -0.9 | 110 | G189 Y190 | G189-R209 CarbonylContact C-O 3.55Å; G189-R209 WeakPolarHBondContact CA-O 3.32Å; Y190-R209 HydrophobicContact CD1-CB 4.09Å; Y190-R209 HydrophobicContact CD2-CB 4.37Å; Y190-R209 HydrophobicContact CE1-CB 3.57Å; Y190-R209 HydrophobicContact CE2-CB 3.9Å; Y190-R209 HydrophobicContact CE2-CG 4.35Å; Y190-R209 HydrophobicContact CG-CB 4.47Å; Y190-R209 VanDerWaalsContact CZ-CB 3.47Å; Y190-R209 PolarHBondContact N-O 3.21Å; Y190-R209 PolarHBondContact O-N 2.69Å; Y190-R209 WeakPolarHBondContact OH-CD 3.35Å |
| 210 | C | 91.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 156.5 | 175 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | F214 L216 C237 | C210-F214 HydrophobicContact CB-CB 3.82Å; C210-F214 WeakPolarHBondContact CB-O 3.35Å; C210-L216 VanDerWaalsContact SG-CA 3.54Å; C210-L216 PolarHBondContact SG-N 2.7Å; C210-C237 WeakPolarHBondContact CA-SG 2.99Å; C210-C237 HydrophobicContact CB-CB 3.71Å; C210-C237 WeakPolarHBondContact CB-SG 3Å; C210-C237 VanDerWaalsContact SG-CA 3.51Å; C210-C237 WeakPolarHBondContact SG-CB 3.42Å; C210-C237 CovalentContact SG-SG 2.04Å; C210-C237 PolarHBondContact SG-SG 3.41Å |
| 211 | F | 88.4 | Confident | 91.8 | Very high | 96 Ų | 96 | 62.4 Ų | 62.4 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 159.5 | 167.8 | -62.7 | -43.4 | 0 | 0 | 0 | 110.7 | N188 G189 Y190 G213 F214 | N188-F211 HydrophobicContact CB-CD2 4.45Å; N188-F211 WeakPolarHBondContact O-CD2 3.4Å; N188-F211 PolarHBondContact O-N 2.98Å; G189-F211 WeakPolarHBondContact O-CZ 3.44Å; Y190-F211 AromaticContact CD1-CD1 3.78Å; Y190-F211 HydrophobicContact CD1-CD1 3.78Å; Y190-F211 AromaticContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CE1-CD1 4.39Å; Y190-F211 HydrophobicContact CG-CE1 4.27Å; F211-G213 PolarHBondContact O-N 2.92Å; F211-F214 HydrophobicContact CB-CD2 4.28Å; F211-F214 PolarHBondContact O-N 3.07Å; F211-F214 VanDerWaalsContact O-N 3.08Å |
| 212 | P | 80.9 | Confident | 91.7 | Very high | 107 Ų | 107 | 60.6 Ų | 60.6 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 137.5 | 175.2 | -27.9 | 36.3 | 0 | 0 | 0 | 112.1 | F214 | P212-F214 VanDerWaalsContact C-N 3.32Š|
| 213 | G | 76.4 | Confident | 91.7 | Very high | 5 Ų | 5 | 62.1 Ų | 62.1 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 12.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | F211 L240 Y291 | F211-G213 PolarHBondContact O-N 2.92Å; G213-L240 WeakPolarHBondContact O-CB 3.23Å; G213-L240 PolarHBondContact O-N 3.38Å; G213-Y291 WeakPolarHBondContact CA-O 3.39Å |
| 214 | F | 86.3 | Confident | 91.8 | Very high | 54 Ų | 54 | 60 Ų | 60 | 24% | 0.237 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.5 | 168.3 | -66.5 | -99.2 | 0 | 0 | 0 | 110.9 | N188 C210 F211 P212 C237 L238 A239 | N188-F214 HydrophobicContact CB-CD1 3.47Å; N188-F214 VanDerWaalsContact CB-CD1 3.47Å; N188-F214 HydrophobicContact CB-CD2 4.06Å; N188-F214 HydrophobicContact CB-CE1 3.41Å; N188-F214 VanDerWaalsContact CB-CE1 3.41Å; N188-F214 HydrophobicContact CB-CE2 3.99Å; N188-F214 HydrophobicContact CB-CG 3.83Å; N188-F214 HydrophobicContact CB-CZ 3.68Å; N188-F214 VanDerWaalsContact ND2-CE1 3.28Å; N188-F214 WeakPolarHBondContact ND2-CE1 3.27Å; C210-F214 HydrophobicContact CB-CB 3.82Å; C210-F214 WeakPolarHBondContact CB-O 3.35Å; F211-F214 HydrophobicContact CB-CD2 4.28Å; F211-F214 PolarHBondContact O-N 3.07Å; F211-F214 VanDerWaalsContact O-N 3.08Å; P212-F214 VanDerWaalsContact C-N 3.32Å; F214-C237 HydrophobicContact CB-CB 4Å; F214-C237 HydrophobicContact CD1-CB 4.47Å; F214-L238 CarbonylContact C-O 3.57Å; F214-L238 VanDerWaalsContact CA-O 3.25Å; F214-L238 WeakPolarHBondContact CA-O 3.41Å; F214-A239 HydrophobicContact CD1-CB 4.07Å; F214-A239 HydrophobicContact CE1-CB 3.74Å; F214-A239 HydrophobicContact CZ-CB 4.43Å |
| 215 | K | 86.9 | Confident | 91.8 | Very high | 137 Ų | 137 | 60.9 Ų | 60.9 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.7 | 176.4 | -179.8 | 178.6 | 176.5 | -173.5 | 0 | 110.8 | C237 L238 L240 | K215-C237 WeakPolarHBondContact O-CA 3.43Å; K215-L238 PolarHBondContact N-O 3.12Å; K215-L238 PolarHBondContact O-N 3.01Å; K215-L240 HydrophobicContact CB-CD1 4.19Å; K215-L240 HydrophobicContact CB-CD2 3.73Å; K215-L240 HydrophobicContact CB-CG 3.92Å; K215-L240 HydrophobicContact CD-CD2 4.26Å |
| 216 | L | 91.8 | Very high | 91.7 | Very high | 49 Ų | 49 | 63.4 Ų | 63.4 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.9 | 175.3 | -164 | 149.5 | 0 | 0 | 0 | 110.7 | Y208 C210 G218 E220 P235 | Y208-L216 WeakPolarHBondContact O-CD1 3.48Å; C210-L216 VanDerWaalsContact SG-CA 3.54Å; C210-L216 PolarHBondContact SG-N 2.7Å; L216-G218 WeakPolarHBondContact CD2-O 3.37Å; L216-E220 HydrophobicContact CD1-CB 4.31Å; L216-E220 HydrophobicContact CD1-CG 4.32Å; L216-E220 HydrophobicContact CD2-CB 4.46Å; L216-P235 HydrophobicContact CD1-CB 4.35Å; L216-P235 HydrophobicContact CD1-CG 4.13Å; L216-P235 HydrophobicContact CD2-CB 3.67Å; L216-P235 HydrophobicContact CD2-CG 4.26Å; L216-P235 HydrophobicContact CG-CB 3.85Å; L216-P235 HydrophobicContact CG-CG 4.18Å |
| 217 | E | 93.3 | Very high | 91.8 | Very high | 98 Ų | 98 | 66.4 Ų | 66.4 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.7 | 171.7 | 177.8 | -178.3 | -105.4 | 0 | 0 | 108.6 | P235 R236 L238 | E217-P235 CarbonylContact O-C 3.49Å; E217-P235 VanDerWaalsContact O-CA 3.3Å; E217-P235 WeakPolarHBondContact O-CA 3.03Å; E217-P235 VanDerWaalsContact O-CB 3.31Å; E217-P235 WeakPolarHBondContact O-CB 3.43Å; E217-R236 PolarHBondContact N-O 3.08Å; E217-R236 PolarHBondContact O-N 3.42Å; E217-R236 IonicContact OE2-NH1 3.85Å; E217-L238 HydrophobicContact CB-CD1 4.1Å; E217-L238 HydrophobicContact CB-CG 4.25Å; E217-L238 HydrophobicContact CG-CD1 4.45Å; E217-L238 WeakPolarHBondContact OE1-CD1 3.11Å |
| 218 | G | 93.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 65.7 Ų | 65.7 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 120.6 | -158.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L216 | L216-G218 WeakPolarHBondContact CD2-O 3.37Š|
| 219 | S | 94.7 | Very high | 91.9 | Very high | 40 Ų | 40 | 70.6 Ų | 70.6 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | trans | -83.7 | 129.3 | 176.2 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | Y221 P235 | S219-Y221 VanDerWaalsContact C-N 3.29Å; S219-Y221 PolarHBondContact OG-N 2.88Å; S219-Y221 PolarHBondContact OG-O 2.79Å; S219-P235 WeakPolarHBondContact O-CB 3.21Å; S219-P235 VanDerWaalsContact O-CG 3.27Å; S219-P235 WeakPolarHBondContact O-CG 3.36Å | ||
| 220 | E | 94 | Very high | 92.2 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -67.1 | -32.5 | 171.2 | -173.8 | -173.9 | 164.2 | 0 | 0 | 111.6 | A207 Y208 L216 | A207-E220 WeakPolarHBondContact CA-O 3.49Å; Y208-E220 PolarHBondContact N-O 3.44Å; L216-E220 HydrophobicContact CD1-CB 4.31Å; L216-E220 HydrophobicContact CD1-CG 4.32Å; L216-E220 HydrophobicContact CD2-CB 4.46Å |
| 221 | Y | 95.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 67.4 Ų | 67.4 | 46% | 0.459 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.2 | -176 | -58.8 | -86.6 | 0 | 0 | 0 | 111.1 | V205 I206 A207 S219 | V205-Y221 HydrophobicContact CG1-CD1 4.2Å; I206-Y221 WeakPolarHBondContact O-CA 3.27Å; A207-Y221 HydrophobicContact CB-CD1 3.88Å; A207-Y221 HydrophobicContact CB-CE1 3.66Å; S219-Y221 VanDerWaalsContact C-N 3.29Å; S219-Y221 PolarHBondContact OG-N 2.88Å; S219-Y221 PolarHBondContact OG-O 2.79Å |
| 222 | L | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.5 | 170.5 | -87.5 | 68.2 | 0 | 0 | 0 | 108.4 | P183 V205 I206 Y208 W230 S232 P234 | P183-L222 HydrophobicContact CB-CD2 4.34Å; V205-L222 WeakPolarHBondContact CA-O 3.46Å; I206-L222 HydrophobicContact CD1-CB 4.08Å; I206-L222 HydrophobicContact CG1-CB 3.71Å; I206-L222 PolarHBondContact N-O 2.86Å; I206-L222 PolarHBondContact O-N 2.88Å; Y208-L222 HydrophobicContact CD2-CD1 4.2Å; Y208-L222 HydrophobicContact CE2-CD1 4.14Å; Y208-L222 HydrophobicContact CE2-CD2 4.14Å; L222-W230 HydrophobicContact CB-CD2 4.37Å; L222-W230 HydrophobicContact CB-CE3 3.8Å; L222-W230 HydrophobicContact CB-CZ3 4.44Å; L222-W230 HydrophobicContact CD2-CB 4.09Å; L222-W230 HydrophobicContact CD2-CG 4.24Å; L222-W230 HydrophobicContact CG-CB 4.43Å; L222-S232 VanDerWaalsContact CD2-O 3.27Å; L222-S232 WeakPolarHBondContact CD2-O 3.48Å; L222-P234 HydrophobicContact CD2-CG 4.25Å |
| 223 | E | 96.7 | Very high | 93.3 | Very high | 85 Ų | 85 | 64.9 Ų | 64.9 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.4 | 177.4 | 177.4 | -175.8 | 174.9 | 0 | 0 | 110 | T204 V205 L225 W230 T231 | T204-E223 CarbonylContact O-C 3.56Å; T204-E223 WeakPolarHBondContact O-CA 3.35Å; V205-E223 HydrophobicContact CG2-CB 4.09Å; V205-E223 HydrophobicContact CG2-CG 4.01Å; E223-L225 PolarHBondContact O-N 2.95Å; E223-W230 CarbonylContact O-C 3.59Å; E223-W230 WeakPolarHBondContact O-CA 3.11Å; E223-T231 HydrophobicContact CB-CG2 3.79Å; E223-T231 PolarHBondContact N-OG1 2.04Å; E223-T231 PolarHBondContact O-N 2.82Å |
| 224 | C | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 110.3 | 176.7 | 178 | 0 | 0 | 0 | 0 | 110.7 | C180 F200 V202 G203 T204 W230 | C180-C224 HydrophobicContact CB-CB 3.77Å; C180-C224 WeakPolarHBondContact CB-SG 3.47Å; C180-C224 PolarHBondContact N-SG 2.77Å; C180-C224 WeakPolarHBondContact SG-CA 3.37Å; C180-C224 WeakPolarHBondContact SG-CB 3.4Å; C180-C224 CovalentContact SG-SG 2.03Å; C180-C224 PolarHBondContact SG-SG 3.49Å; F200-C224 PolarHBondContact O-SG 3.03Å; V202-C224 WeakPolarHBondContact CA-O 3.25Å; G203-C224 PolarHBondContact N-O 2.97Å; T204-C224 PolarHBondContact O-N 2.97Å; C224-W230 HydrophobicContact CB-CE3 4.1Å; C224-W230 HydrophobicContact CB-CH2 4.03Å; C224-W230 HydrophobicContact CB-CZ3 3.78Å |
| 225 | L | 96.6 | Very high | 94.5 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | trans | -83.4 | 160.9 | -177.8 | -62.2 | 174.8 | 0 | 0 | 0 | 112.6 | E223 N227 L228 I229 T231 | E223-L225 PolarHBondContact O-N 2.95Å; L225-N227 VanDerWaalsContact CB-OD1 3.29Å; L225-N227 WeakPolarHBondContact CB-OD1 3.31Å; L225-N227 PolarHBondContact O-N 3.49Å; L225-L228 WeakPolarHBondContact O-CA 3.48Å; L225-L228 PolarHBondContact O-N 3.4Å; L225-I229 VanDerWaalsContact CB-O 3.31Å; L225-I229 WeakPolarHBondContact CB-O 3.3Å; L225-I229 PolarHBondContact N-O 3.2Å; L225-T231 HydrophobicContact CD1-CG2 3.9Å; L225-T231 HydrophobicContact CD2-CG2 3.67Å; L225-T231 HydrophobicContact CG-CG2 3.75Å | ||
| 226 | H | 94.9 | Very high | 94.8 | Very high | 137 Ų | 137 | 65.1 Ų | 65.1 | 63% | 0.634 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.7 | 179.6 | 69.1 | -88.4 | 0 | 0 | 0 | 115.4 | K152 V202 L228 | K152-H226 WeakPolarHBondContact CE-O 3.28Å; K152-H226 PolarHBondContact NZ-O 3.05Å; V202-H226 HydrophobicContact CG1-CB 4.29Å; H226-L228 VanDerWaalsContact C-N 3.31Å |
| 227 | N | 94.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 2.2 | 173.9 | 64.5 | -4.7 | 0 | 0 | 0 | 113.2 | L225 I229 | L225-N227 VanDerWaalsContact CB-OD1 3.29Å; L225-N227 WeakPolarHBondContact CB-OD1 3.31Å; L225-N227 PolarHBondContact O-N 3.49Å; N227-I229 VanDerWaalsContact C-N 3.35Å; N227-I229 WeakPolarHBondContact OD1-CB 3Å; N227-I229 PolarHBondContact OD1-N 2.82Å; N227-I229 VanDerWaalsContact OD1-N 3.12Å |
| 228 | L | 95.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 67.2 | 29.2 | -175.3 | -48.5 | -172.7 | 0 | 0 | 0 | 114.4 | K152 Q178 V202 L225 H226 | K152-L228 HydrophobicContact CB-CD1 4.03Å; K152-L228 HydrophobicContact CD-CD1 3.95Å; K152-L228 HydrophobicContact CD-CD2 4.39Å; K152-L228 HydrophobicContact CD-CG 4.16Å; K152-L228 HydrophobicContact CG-CD1 4.03Å; K152-L228 HydrophobicContact CG-CD2 4.36Å; K152-L228 HydrophobicContact CG-CG 4.48Å; Q178-L228 VanDerWaalsContact O-CD1 3.27Å; Q178-L228 WeakPolarHBondContact O-CD1 3.41Å; V202-L228 HydrophobicContact CG2-CD2 3.73Å; L225-L228 WeakPolarHBondContact O-CA 3.48Å; L225-L228 PolarHBondContact O-N 3.4Å; H226-L228 VanDerWaalsContact C-N 3.31Å |
| 229 | I | 95.2 | Very high | 94.1 | Very high | 103 Ų | 103 | 61.4 Ų | 61.4 | 53% | 0.528 | 32% | 0.323 | S | S | . | . | trans | -119.8 | 143 | 176.6 | -51.3 | -179.7 | 0 | 0 | 0 | 108.3 | L225 N227 | L225-I229 VanDerWaalsContact CB-O 3.31Å; L225-I229 WeakPolarHBondContact CB-O 3.3Å; L225-I229 PolarHBondContact N-O 3.2Å; N227-I229 VanDerWaalsContact C-N 3.35Å; N227-I229 WeakPolarHBondContact OD1-CB 3Å; N227-I229 PolarHBondContact OD1-N 2.82Å; N227-I229 VanDerWaalsContact OD1-N 3.12Å | ||
| 230 | W | 96.8 | Very high | 93.4 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 147.2 | 173.1 | -64.6 | 102.6 | 0 | 0 | 0 | 111.4 | C180 L181 P183 F200 T204 I206 L222 E223 C224 S232 | C180-W230 HydrophobicContact CB-CD2 4.17Å; C180-W230 HydrophobicContact CB-CH2 4.42Å; C180-W230 HydrophobicContact CB-CZ2 3.7Å; L181-W230 PolarHBondContact O-NE1 2.91Å; P183-W230 HydrophobicContact CG-CD2 4.42Å; P183-W230 HydrophobicContact CG-CZ2 3.93Å; F200-W230 HydrophobicContact CB-CH2 3.9Å; F200-W230 HydrophobicContact CB-CZ2 4.01Å; F200-W230 HydrophobicContact CD2-CH2 4.29Å; F200-W230 AromaticContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CG-CH2 4.06Å; F200-W230 HydrophobicContact CG-CZ2 4.05Å; T204-W230 HydrophobicContact CG2-CH2 4.36Å; I206-W230 HydrophobicContact CD1-CH2 4.17Å; I206-W230 HydrophobicContact CD1-CZ2 4.48Å; I206-W230 HydrophobicContact CD1-CZ3 4.2Å; I206-W230 HydrophobicContact CG1-CH2 4.4Å; I206-W230 HydrophobicContact CG1-CZ3 4.09Å; I206-W230 HydrophobicContact CG2-CH2 4.17Å; I206-W230 HydrophobicContact CG2-CZ3 4.42Å; L222-W230 HydrophobicContact CB-CD2 4.37Å; L222-W230 HydrophobicContact CB-CE3 3.8Å; L222-W230 HydrophobicContact CB-CZ3 4.44Å; L222-W230 HydrophobicContact CD2-CB 4.09Å; L222-W230 HydrophobicContact CD2-CG 4.24Å; L222-W230 HydrophobicContact CG-CB 4.43Å; E223-W230 CarbonylContact O-C 3.59Å; E223-W230 WeakPolarHBondContact O-CA 3.11Å; C224-W230 HydrophobicContact CB-CE3 4.1Å; C224-W230 HydrophobicContact CB-CH2 4.03Å; C224-W230 HydrophobicContact CB-CZ3 3.78Å; W230-S232 PolarHBondContact O-N 2.85Å; W230-S232 VanDerWaalsContact O-N 3.07Å |
| 231 | T | 97.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 36% | 0.362 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -56.8 | -21.1 | 175.9 | 45.5 | 0 | 0 | 0 | 0 | 114.8 | E223 L225 | E223-T231 HydrophobicContact CB-CG2 3.79Å; E223-T231 PolarHBondContact N-OG1 2.04Å; E223-T231 PolarHBondContact O-N 2.82Å; L225-T231 HydrophobicContact CD1-CG2 3.9Å; L225-T231 HydrophobicContact CD2-CG2 3.67Å; L225-T231 HydrophobicContact CG-CG2 3.75Å |
| 232 | S | 94.8 | Very high | 92 | Very high | 55 Ų | 55 | 62 Ų | 62 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -155.8 | 165.3 | -179.7 | -73 | 0 | 0 | 0 | 0 | 111 | L222 W230 | L222-S232 VanDerWaalsContact CD2-O 3.27Å; L222-S232 WeakPolarHBondContact CD2-O 3.48Å; W230-S232 PolarHBondContact O-N 2.85Å; W230-S232 VanDerWaalsContact O-N 3.07Å |
| 233 | S | 93.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 66% | 0.664 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 151.7 | 166.1 | 53.8 | 0 | 0 | 0 | 0 | 111 | ||
| 234 | P | 93 | Very high | 91.2 | Very high | 40 Ų | 40 | 62.1 Ų | 62.1 | 26% | 0.26 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 140.7 | 173.6 | -27.3 | 37.4 | 0 | 0 | 0 | 112 | P183 L184 Y208 L222 | P183-P234 HydrophobicContact CB-CG 3.88Å; L184-P234 HydrophobicContact CB-CG 4.35Å; Y208-P234 HydrophobicContact CE1-CB 4.39Å; L222-P234 HydrophobicContact CD2-CG 4.25Å |
| 235 | P | 94.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -75 | 163.4 | 179.6 | 33 | -37.1 | 0 | 0 | 0 | 112.2 | Y208 L216 E217 S219 | Y208-P235 VanDerWaalsContact CB-CG 3.5Å; Y208-P235 HydrophobicContact CD1-CG 4.01Å; Y208-P235 HydrophobicContact CD2-CG 4.05Å; Y208-P235 HydrophobicContact CG-CG 3.6Å; L216-P235 HydrophobicContact CD1-CB 4.35Å; L216-P235 HydrophobicContact CD1-CG 4.13Å; L216-P235 HydrophobicContact CD2-CB 3.67Å; L216-P235 HydrophobicContact CD2-CG 4.26Å; L216-P235 HydrophobicContact CG-CB 3.85Å; L216-P235 HydrophobicContact CG-CG 4.18Å; E217-P235 CarbonylContact O-C 3.49Å; E217-P235 VanDerWaalsContact O-CA 3.3Å; E217-P235 WeakPolarHBondContact O-CA 3.03Å; E217-P235 VanDerWaalsContact O-CB 3.31Å; E217-P235 WeakPolarHBondContact O-CB 3.43Å; S219-P235 WeakPolarHBondContact O-CB 3.21Å; S219-P235 VanDerWaalsContact O-CG 3.27Å; S219-P235 WeakPolarHBondContact O-CG 3.36Å |
| 236 | R | 93.2 | Very high | 90.5 | Very high | 156 Ų | 156 | 65.9 Ų | 65.9 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.1 | 174.4 | -58.9 | 176.1 | 72.5 | -157.9 | 6.5 | 109.6 | E217 L238 | E217-R236 PolarHBondContact N-O 3.08Å; E217-R236 PolarHBondContact O-N 3.42Å; E217-R236 IonicContact OE2-NH1 3.85Å; R236-L238 HydrophobicContact CB-CD2 4.26Å |
| 237 | C | 92.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 106 | 169.6 | -66.8 | 0 | 0 | 0 | 0 | 109 | S187 N188 C210 F214 K215 | S187-C237 WeakPolarHBondContact O-CB 2.9Å; N188-C237 HydrophobicContact CB-CB 4.16Å; N188-C237 WeakPolarHBondContact O-CB 3.4Å; C210-C237 WeakPolarHBondContact CA-SG 2.99Å; C210-C237 HydrophobicContact CB-CB 3.71Å; C210-C237 WeakPolarHBondContact CB-SG 3Å; C210-C237 VanDerWaalsContact SG-CA 3.51Å; C210-C237 WeakPolarHBondContact SG-CB 3.42Å; C210-C237 CovalentContact SG-SG 2.04Å; C210-C237 PolarHBondContact SG-SG 3.41Å; F214-C237 HydrophobicContact CB-CB 4Å; F214-C237 HydrophobicContact CD1-CB 4.47Å; K215-C237 WeakPolarHBondContact O-CA 3.43Å |
| 238 | L | 88.3 | Confident | 89.8 | Confident | 67 Ų | 67 | 67 Ų | 67 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 136.1 | -178.8 | -58.2 | -174.9 | 0 | 0 | 0 | 110.3 | F214 K215 E217 R236 L240 | F214-L238 CarbonylContact C-O 3.57Å; F214-L238 VanDerWaalsContact CA-O 3.25Å; F214-L238 WeakPolarHBondContact CA-O 3.41Å; K215-L238 PolarHBondContact N-O 3.12Å; K215-L238 PolarHBondContact O-N 3.01Å; E217-L238 HydrophobicContact CB-CD1 4.1Å; E217-L238 HydrophobicContact CB-CG 4.25Å; E217-L238 HydrophobicContact CG-CD1 4.45Å; E217-L238 WeakPolarHBondContact OE1-CD1 3.11Å; R236-L238 HydrophobicContact CB-CD2 4.26Å; L238-L240 PolarHBondContact O-N 3.07Å |
| 239 | A | 83.1 | Confident | 89.6 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 130.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F214 E241 | F214-A239 HydrophobicContact CD1-CB 4.07Å; F214-A239 HydrophobicContact CE1-CB 3.74Å; F214-A239 HydrophobicContact CZ-CB 4.43Å; A239-E241 PolarHBondContact O-N 3.33Å |
| 240 | L | 80.6 | Confident | 89.4 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 32% | 0.319 | 37% | 0.367 | S | S | . | . | trans | -83.2 | 95 | 169.7 | -70 | 173.8 | 0 | 0 | 0 | 108.6 | G213 K215 L238 V242 Y291 G292 | G213-L240 WeakPolarHBondContact O-CB 3.23Å; G213-L240 PolarHBondContact O-N 3.38Å; K215-L240 HydrophobicContact CB-CD1 4.19Å; K215-L240 HydrophobicContact CB-CD2 3.73Å; K215-L240 HydrophobicContact CB-CG 3.92Å; K215-L240 HydrophobicContact CD-CD2 4.26Å; L238-L240 PolarHBondContact O-N 3.07Å; L240-V242 PolarHBondContact O-N 3.4Å; L240-Y291 CarbonylContact O-C 3.5Å; L240-G292 WeakPolarHBondContact O-CA 3.24Å; L240-G292 PolarHBondContact O-N 2.79Å | ||
| 241 | E | 73.9 | Confident | 89.2 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 66% | 0.659 | 38% | 0.382 | S | S | * | . | trans | -76.3 | -12.3 | 173.1 | -65.3 | -175.1 | 174.4 | 0 | 0 | 113 | A239 N265 H266 | A239-E241 PolarHBondContact O-N 3.33Å; E241-N265 CarbonylContact O-C 3.55Å; E241-N265 VanDerWaalsContact O-CA 3.24Å; E241-N265 WeakPolarHBondContact O-CA 3.48Å; E241-H266 PolarHBondContact O-N 3.01Å | ||
| 242 | V | 85.4 | Confident | 89 | Confident | 51 Ų | 51 | 66 Ų | 66 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -126.7 | 124.4 | -171.5 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | L240 R263 Y264 | L240-V242 PolarHBondContact O-N 3.4Å; V242-R263 HydrophobicContact CB-CG 4.5Å; V242-R263 HydrophobicContact CG1-CG 3.64Å; V242-R263 HydrophobicContact CG2-CG 3.95Å; V242-Y264 CarbonylContact C-O 3.33Å; V242-Y264 WeakPolarHBondContact CA-O 3.17Å |
| 243 | C | 88.1 | Confident | 88.9 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 153.9 | 174.3 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | Y264 C289 G292 E293 W294 | C243-Y264 PolarHBondContact N-O 3.3Å; C243-C289 HydrophobicContact CB-CB 3.86Å; C243-C289 WeakPolarHBondContact CB-SG 3.28Å; C243-C289 PolarHBondContact N-SG 3.03Å; C243-C289 WeakPolarHBondContact SG-CA 3.5Å; C243-C289 WeakPolarHBondContact SG-CB 3.21Å; C243-C289 CovalentContact SG-SG 2.02Å; C243-C289 PolarHBondContact SG-SG 2.03Å; C243-G292 WeakPolarHBondContact CA-O 3.04Å; C243-G292 WeakPolarHBondContact SG-CA 3.46Å; C243-E293 VanDerWaalsContact SG-C 3.58Å; C243-E293 PolarHBondContact SG-N 2.83Å; C243-E293 VanDerWaalsContact SG-N 3.39Å; C243-E293 PolarHBondContact SG-O 3.25Å; C243-W294 HydrophobicContact CB-CD2 4.16Å; C243-W294 HydrophobicContact CB-CH2 4.27Å; C243-W294 HydrophobicContact CB-CZ2 3.61Å |
| 244 | P | 87.6 | Confident | 88.8 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 171.1 | 168.8 | 29.8 | -36.4 | 0 | 0 | 0 | 111 | G292 W294 | P244-G292 WeakPolarHBondContact CD-O 3.47Å; P244-W294 PolarHBondContact O-NE1 3.39Å |
| 245 | L | 89.6 | Confident | 88.8 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 138.3 | 171.9 | -105.7 | 70.2 | 0 | 0 | 0 | 110.7 | Y264 | L245-Y264 HydrophobicContact CD1-CE2 3.94Å; L245-Y264 HydrophobicContact CG-CE2 4.13Å |
| 246 | P | 89.8 | Confident | 88.7 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.032 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 149.1 | 176 | -26.5 | 35.4 | 0 | 0 | 0 | 112.3 | M248 F254 Y264 V270 W294 | P246-M248 PolarHBondContact O-N 3Å; P246-F254 HydrophobicContact CB-CD1 4.13Å; P246-F254 HydrophobicContact CB-CD2 4.29Å; P246-F254 HydrophobicContact CB-CE1 3.85Å; P246-F254 HydrophobicContact CB-CE2 4.04Å; P246-F254 HydrophobicContact CB-CG 4.35Å; P246-F254 HydrophobicContact CB-CZ 3.81Å; P246-F254 HydrophobicContact CG-CD2 4.14Å; P246-F254 HydrophobicContact CG-CE1 4.27Å; P246-F254 HydrophobicContact CG-CE2 3.62Å; P246-F254 HydrophobicContact CG-CZ 3.69Å; P246-Y264 VanDerWaalsContact CD-CZ 3.43Å; P246-Y264 HydrophobicContact CG-CD1 4.14Å; P246-Y264 HydrophobicContact CG-CE1 3.72Å; P246-V270 HydrophobicContact CB-CG1 4.1Å; P246-V270 HydrophobicContact CB-CG2 4.44Å; P246-V270 HydrophobicContact CG-CG1 4.19Å; P246-V270 HydrophobicContact CG-CG2 3.75Å; P246-W294 HydrophobicContact CB-CZ2 4.48Å; P246-W294 HydrophobicContact CG-CH2 4.2Å; P246-W294 HydrophobicContact CG-CZ2 3.65Å |
| 247 | P | 88.1 | Confident | 88.7 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 131.8 | 177.8 | 25.2 | -33.3 | 0 | 0 | 0 | 111 | F272 I287 | P247-F272 HydrophobicContact CG-CZ 4.08Å; P247-I287 HydrophobicContact CG-CD1 4.3Å |
| 248 | M | 86.7 | Confident | 88.5 | Confident | 175 Ų | 175 | 64.9 Ų | 64.9 | 86% | 0.862 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 133.6 | 177.9 | -66.7 | -177.2 | 175.9 | 0 | 0 | 111 | P246 | P246-M248 PolarHBondContact O-N 3Š|
| 249 | V | 89.6 | Confident | 88.5 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.085 | 38% | 0.376 | C | S | . | . | trans | -104.3 | 124.9 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 110 | G252 F272 V300 C302 | V249-G252 CarbonylContact O-C 3.56Å; V249-G252 PolarHBondContact O-N 3.39Å; V249-F272 HydrophobicContact CB-CD1 4.45Å; V249-F272 HydrophobicContact CG2-CD1 3.37Å; V249-F272 HydrophobicContact CG2-CE1 3.52Å; V249-F272 HydrophobicContact CG2-CG 4.25Å; V249-F272 HydrophobicContact CG2-CZ 4.47Å; V249-V300 HydrophobicContact CG1-CG1 4.4Å; V249-V300 HydrophobicContact CG2-CB 3.94Å; V249-V300 HydrophobicContact CG2-CG1 3.91Å; V249-C302 HydrophobicContact CG1-CB 4.37Å | ||
| 250 | S | 91.8 | Very high | 88.7 | Confident | 74 Ų | 74 | 71 Ų | 71 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 133.7 | 175 | 62.4 | 0 | 0 | 0 | 0 | 110.7 | G252 C302 | S250-G252 PolarHBondContact O-N 2.95Å; S250-C302 WeakPolarHBondContact O-CB 3.25Å |
| 251 | H | 92.9 | Very high | 88.9 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 43% | 0.431 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 28.6 | -173.8 | -44 | 95.9 | 0 | 0 | 0 | 114.3 | N275 Y278 C302 | H251-N275 WeakPolarHBondContact O-CB 3.39Å; H251-N275 PolarHBondContact O-N 3.08Å; H251-Y278 HydrophobicContact CB-CD1 3.48Å; H251-Y278 VanDerWaalsContact CB-CD1 3.48Å; H251-Y278 HydrophobicContact CB-CD2 4Å; H251-Y278 HydrophobicContact CB-CE1 3.5Å; H251-Y278 HydrophobicContact CB-CE2 4.03Å; H251-Y278 HydrophobicContact CB-CG 3.76Å; H251-Y278 AromaticContact CD2-CE1 3.69Å; H251-Y278 AromaticContact CD2-CE2 4Å; H251-Y278 AromaticContact CD2-CZ 3.37Å; H251-Y278 PolarHBondContact CD2-OH 2.87Å; H251-Y278 AromaticContact CG-CD1 3.84Å; H251-Y278 AromaticContact CG-CE1 3.29Å; H251-Y278 AromaticContact CG-CZ 3.47Å; H251-Y278 VanDerWaalsContact CG-CZ 3.47Å; H251-Y278 AromaticContact ND1-CE1 3.56Å; H251-Y278 AromaticContact NE2-CZ 3.92Å; H251-Y278 PolarHBondContact NE2-OH 2.9Å; H251-C302 HydrophobicContact CB-CB 4.32Å |
| 252 | G | 92.1 | Very high | 89.3 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | -172.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V249 S250 Y273 | V249-G252 CarbonylContact O-C 3.56Å; V249-G252 PolarHBondContact O-N 3.39Å; S250-G252 PolarHBondContact O-N 2.95Å; G252-Y273 CarbonylContact C-O 3.6Å; G252-Y273 WeakPolarHBondContact CA-O 3.48Å |
| 253 | D | 92.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | -177.9 | 179.6 | -178.7 | 31.4 | 0 | 0 | 0 | 108.1 | Y273 | D253-Y273 VanDerWaalsContact C-CE1 3.46Å; D253-Y273 HydrophobicContact CB-CD1 4.48Å; D253-Y273 HydrophobicContact CB-CE1 3.7Å; D253-Y273 HydrophobicContact CB-CE2 4.25Å; D253-Y273 WeakPolarHBondContact CB-OH 3.39Å; D253-Y273 PolarHBondContact N-O 3.23Å; D253-Y273 VanDerWaalsContact O-CD1 3.25Å; D253-Y273 WeakPolarHBondContact O-CD1 3.48Å; D253-Y273 PolarHBondContact O-N 3.2Å; D253-Y273 VanDerWaalsContact O-O 3.13Å; D253-Y273 PolarHBondContact OD2-OH 2.81Å |
| 254 | F | 92.2 | Very high | 89.3 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161 | -176.8 | 68 | -98.1 | 0 | 0 | 0 | 114.4 | P246 Y264 V270 E271 F272 | P246-F254 HydrophobicContact CB-CD1 4.13Å; P246-F254 HydrophobicContact CB-CD2 4.29Å; P246-F254 HydrophobicContact CB-CE1 3.85Å; P246-F254 HydrophobicContact CB-CE2 4.04Å; P246-F254 HydrophobicContact CB-CG 4.35Å; P246-F254 HydrophobicContact CB-CZ 3.81Å; P246-F254 HydrophobicContact CG-CD2 4.14Å; P246-F254 HydrophobicContact CG-CE1 4.27Å; P246-F254 HydrophobicContact CG-CE2 3.62Å; P246-F254 HydrophobicContact CG-CZ 3.69Å; F254-Y264 HydrophobicContact CE2-CE1 4.45Å; F254-V270 HydrophobicContact CB-CG1 3.59Å; F254-V270 HydrophobicContact CD2-CG1 3.61Å; F254-V270 HydrophobicContact CG-CG1 3.73Å; F254-E271 CarbonylContact C-O 3.56Å; F254-E271 VanDerWaalsContact CA-O 3.29Å; F254-E271 WeakPolarHBondContact CA-O 3.28Å; F254-F272 HydrophobicContact CB-CD1 3.61Å; F254-F272 HydrophobicContact CB-CE1 3.77Å; F254-F272 HydrophobicContact CB-CG 4.4Å; F254-F272 HydrophobicContact CD1-CE1 4.18Å; F254-F272 HydrophobicContact CG-CE1 4.27Å |
| 255 | I | 92.5 | Very high | 89.3 | Confident | 41 Ų | 41 | 78.3 Ų | 78.3 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.3 | 176.5 | -70.8 | 161.6 | 0 | 0 | 0 | 107.5 | R259 V270 E271 Y273 | I255-R259 VanDerWaalsContact CD1-NH2 3.35Å; I255-V270 CarbonylContact O-C 3.44Å; I255-V270 WeakPolarHBondContact O-CA 3.47Å; I255-E271 PolarHBondContact N-O 2.92Å; I255-E271 PolarHBondContact O-N 3.17Å; I255-Y273 HydrophobicContact CD1-CD1 4.11Å; I255-Y273 HydrophobicContact CD1-CE1 4.12Å; I255-Y273 HydrophobicContact CG1-CD1 4.25Å; I255-Y273 HydrophobicContact CG1-CE1 3.98Å |
| 256 | C | 93.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 157 | 167.5 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | P258 R259 C261 Y264 T268 V269 V270 | C256-P258 PolarHBondContact SG-O 3.27Å; C256-R259 VanDerWaalsContact O-CG 3.24Å; C256-R259 WeakPolarHBondContact O-CG 3.37Å; C256-C261 HydrophobicContact CB-CB 3.94Å; C256-C261 WeakPolarHBondContact CB-SG 3.48Å; C256-C261 WeakPolarHBondContact SG-CA 3.41Å; C256-C261 WeakPolarHBondContact SG-CB 3.44Å; C256-C261 PolarHBondContact SG-N 2.8Å; C256-C261 CovalentContact SG-SG 2.02Å; C256-C261 PolarHBondContact SG-SG 2.92Å; C256-Y264 HydrophobicContact CB-CE1 4.12Å; C256-T268 HydrophobicContact CB-CG2 4.17Å; C256-V269 CarbonylContact C-O 3.42Å; C256-V269 WeakPolarHBondContact CA-O 3.36Å; C256-V270 HydrophobicContact CB-CG2 4.24Å |
| 257 | H | 92.3 | Very high | 89 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 35% | 0.352 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 124.5 | 171.2 | -57.9 | -78.3 | 0 | 0 | 0 | 108.4 | T268 V269 E271 | H257-T268 WeakPolarHBondContact O-CA 3.41Å; H257-V269 PolarHBondContact N-O 2.89Å; H257-V269 PolarHBondContact O-N 2.88Å; H257-E271 IonicContact CE1-OE2 2.8Å; H257-E271 IonicContact NE2-OE2 3.21Å; H257-E271 PolarHBondContact NE2-OE2 2.95Å |
| 258 | P | 88.8 | Confident | 89.2 | Confident | 103 Ų | 103 | 76 Ų | 76 | 67% | 0.669 | 39% | 0.394 | S | S | * | . | S | Bend | cis | -71.8 | 158.4 | -1.2 | 32.3 | -36.2 | 0 | 0 | 0 | 113 | C256 | C256-P258 PolarHBondContact SG-O 3.27Š|
| 259 | R | 88.6 | Confident | 89.6 | Confident | 167 Ų | 167 | 69.8 Ų | 69.8 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -93.5 | 150.2 | 170 | -64.6 | -177.5 | 179.5 | -170 | -3.4 | 110.1 | I255 C256 | I255-R259 VanDerWaalsContact CD1-NH2 3.35Å; C256-R259 VanDerWaalsContact O-CG 3.24Å; C256-R259 WeakPolarHBondContact O-CG 3.37Å |
| 260 | P | 87.3 | Confident | 89.8 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 58% | 0.578 | 36% | 0.361 | S | S | * | . | S | Bend | cis | -79.7 | 159.7 | -0 | 32.9 | -36.2 | 0 | 0 | 0 | 114.1 | E262 | P260-E262 HydrophobicContact CB-CG 4.29Å; P260-E262 HydrophobicContact CG-CG 3.98Å; P260-E262 WeakPolarHBondContact CG-OE1 3.15Å; P260-E262 PolarHBondContact O-N 2.89Å |
| 261 | C | 83.4 | Confident | 89.9 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | trans | -80.1 | 50.5 | -175.9 | -48.7 | 0 | 0 | 0 | 0 | 113.5 | C256 Y264 | C256-C261 HydrophobicContact CB-CB 3.94Å; C256-C261 WeakPolarHBondContact CB-SG 3.48Å; C256-C261 WeakPolarHBondContact SG-CA 3.41Å; C256-C261 WeakPolarHBondContact SG-CB 3.44Å; C256-C261 PolarHBondContact SG-N 2.8Å; C256-C261 CovalentContact SG-SG 2.02Å; C256-C261 PolarHBondContact SG-SG 2.92Å; C261-Y264 HydrophobicContact CB-CE1 4.13Å | ||
| 262 | E | 83.6 | Confident | 89.9 | Confident | 169 Ų | 169 | 63.1 Ų | 63.1 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -77.3 | -35.6 | -178.2 | -68.5 | 177.9 | -167.3 | 0 | 0 | 112.6 | P260 | P260-E262 HydrophobicContact CB-CG 4.29Å; P260-E262 HydrophobicContact CG-CG 3.98Å; P260-E262 WeakPolarHBondContact CG-OE1 3.15Å; P260-E262 PolarHBondContact O-N 2.89Å |
| 263 | R | 83.6 | Confident | 89.9 | Confident | 171 Ų | 171 | 67.2 Ų | 67.2 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | trans | -151.6 | 127.6 | -178.7 | -163.8 | -177.6 | -77.6 | -111 | 0.9 | 110.7 | V242 N265 | V242-R263 HydrophobicContact CB-CG 4.5Å; V242-R263 HydrophobicContact CG1-CG 3.64Å; V242-R263 HydrophobicContact CG2-CG 3.95Å; R263-N265 VanDerWaalsContact C-N 3.33Å; R263-N265 WeakPolarHBondContact CD-OD1 3.46Å; R263-N265 WeakPolarHBondContact CG-OD1 3.41Å; R263-N265 PolarHBondContact O-N 3.2Å; R263-N265 VanDerWaalsContact O-N 3.11Å | ||
| 264 | Y | 89.8 | Confident | 89.9 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | trans | -87.7 | 68.9 | -177.3 | -55.3 | -77.9 | 0 | 0 | 0 | 111 | V242 C243 L245 P246 F254 C256 C261 T268 V270 C289 W294 | V242-Y264 CarbonylContact C-O 3.33Å; V242-Y264 WeakPolarHBondContact CA-O 3.17Å; C243-Y264 PolarHBondContact N-O 3.3Å; L245-Y264 HydrophobicContact CD1-CE2 3.94Å; L245-Y264 HydrophobicContact CG-CE2 4.13Å; P246-Y264 VanDerWaalsContact CD-CZ 3.43Å; P246-Y264 HydrophobicContact CG-CD1 4.14Å; P246-Y264 HydrophobicContact CG-CE1 3.72Å; F254-Y264 HydrophobicContact CE2-CE1 4.45Å; C256-Y264 HydrophobicContact CB-CE1 4.12Å; C261-Y264 HydrophobicContact CB-CE1 4.13Å; Y264-T268 HydrophobicContact CD1-CG2 4.03Å; Y264-V270 HydrophobicContact CD1-CG2 4.43Å; Y264-V270 HydrophobicContact CE1-CG2 4.48Å; Y264-C289 PolarHBondContact O-SG 3.37Å; Y264-W294 AromaticContact CD1-CH2 3.75Å; Y264-W294 HydrophobicContact CD1-CH2 3.75Å; Y264-W294 AromaticContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CG-CH2 4.04Å; Y264-W294 AromaticContact CG-CZ2 3.72Å; Y264-W294 HydrophobicContact CG-CZ2 3.72Å | ||
| 265 | N | 87.1 | Confident | 90.1 | Very high | 79 Ų | 79 | 66.7 Ų | 66.7 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 162.9 | 179.9 | -65.8 | -6.4 | 0 | 0 | 0 | 112 | E241 R263 G267 T268 C289 | E241-N265 CarbonylContact O-C 3.55Å; E241-N265 VanDerWaalsContact O-CA 3.24Å; E241-N265 WeakPolarHBondContact O-CA 3.48Å; R263-N265 VanDerWaalsContact C-N 3.33Å; R263-N265 WeakPolarHBondContact CD-OD1 3.46Å; R263-N265 WeakPolarHBondContact CG-OD1 3.41Å; R263-N265 PolarHBondContact O-N 3.2Å; R263-N265 VanDerWaalsContact O-N 3.11Å; N265-G267 PolarHBondContact O-N 3.04Å; N265-T268 PolarHBondContact N-OG1 3.17Å; N265-T268 VanDerWaalsContact N-OG1 3.09Å; N265-T268 WeakPolarHBondContact O-CB 3.36Å; N265-T268 PolarHBondContact O-N 3.47Å; N265-T268 PolarHBondContact O-OG1 3.33Å; N265-C289 WeakPolarHBondContact O-CB 3.44Å |
| 266 | H | 86.4 | Confident | 90.1 | Very high | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | 129.6 | 171.2 | -171.9 | -67.7 | 0 | 0 | 0 | 111.5 | E241 T268 Y291 | E241-H266 PolarHBondContact O-N 3.01Å; H266-T268 VanDerWaalsContact C-N 3.34Å; H266-Y291 AromaticContact CD2-CD1 3.91Å; H266-Y291 PolarHBondContact CD2-N 2.99Å; H266-Y291 AromaticContact NE2-CD1 3.88Å; H266-Y291 AromaticContact NE2-CE1 3.68Å; H266-Y291 AromaticContact NE2-CE2 3.97Å; H266-Y291 AromaticContact NE2-CZ 3.72Å |
| 267 | G | 87.6 | Confident | 89.8 | Confident | 42 Ų | 42 | 73 Ų | 73 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -5.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N265 V269 C289 | N265-G267 PolarHBondContact O-N 3.04Å; G267-V269 PolarHBondContact O-N 2.76Å; G267-C289 PolarHBondContact N-O 2.84Å |
| 268 | T | 91.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 73 Ų | 73 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | trans | -61.5 | 126.3 | 172.1 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | C256 H257 Y264 N265 H266 T288 C289 W294 | C256-T268 HydrophobicContact CB-CG2 4.17Å; H257-T268 WeakPolarHBondContact O-CA 3.41Å; Y264-T268 HydrophobicContact CD1-CG2 4.03Å; N265-T268 PolarHBondContact N-OG1 3.17Å; N265-T268 VanDerWaalsContact N-OG1 3.09Å; N265-T268 WeakPolarHBondContact O-CB 3.36Å; N265-T268 PolarHBondContact O-N 3.47Å; N265-T268 PolarHBondContact O-OG1 3.33Å; H266-T268 VanDerWaalsContact C-N 3.34Å; T268-T288 CarbonylContact O-C 3.53Å; T268-T288 WeakPolarHBondContact O-CA 2.94Å; T268-C289 PolarHBondContact O-N 3.2Å; T268-W294 HydrophobicContact CG2-CH2 4.39Å | ||
| 269 | V | 94.1 | Very high | 89.9 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 26% | 0.261 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.6 | 176.8 | -178 | 0 | 0 | 0 | 0 | 109 | C256 H257 G267 Y286 T288 | C256-V269 CarbonylContact C-O 3.42Å; C256-V269 WeakPolarHBondContact CA-O 3.36Å; H257-V269 PolarHBondContact N-O 2.89Å; H257-V269 PolarHBondContact O-N 2.88Å; G267-V269 PolarHBondContact O-N 2.76Å; V269-Y286 HydrophobicContact CG1-CD1 3.91Å; V269-T288 HydrophobicContact CG2-CG2 4.2Å |
| 270 | V | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.4 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 109 | P246 F254 I255 C256 Y264 F272 Y286 I287 W294 | P246-V270 HydrophobicContact CB-CG1 4.1Å; P246-V270 HydrophobicContact CB-CG2 4.44Å; P246-V270 HydrophobicContact CG-CG1 4.19Å; P246-V270 HydrophobicContact CG-CG2 3.75Å; F254-V270 HydrophobicContact CB-CG1 3.59Å; F254-V270 HydrophobicContact CD2-CG1 3.61Å; F254-V270 HydrophobicContact CG-CG1 3.73Å; I255-V270 CarbonylContact O-C 3.44Å; I255-V270 WeakPolarHBondContact O-CA 3.47Å; C256-V270 HydrophobicContact CB-CG2 4.24Å; Y264-V270 HydrophobicContact CD1-CG2 4.43Å; Y264-V270 HydrophobicContact CE1-CG2 4.48Å; V270-F272 HydrophobicContact CG1-CE1 4.31Å; V270-F272 HydrophobicContact CG1-CE2 4.26Å; V270-F272 HydrophobicContact CG1-CZ 4.04Å; V270-Y286 VanDerWaalsContact O-CA 3.31Å; V270-Y286 WeakPolarHBondContact O-CA 3.09Å; V270-I287 HydrophobicContact CB-CD1 4.3Å; V270-I287 HydrophobicContact CB-CG1 3.77Å; V270-I287 HydrophobicContact CG1-CD1 4.44Å; V270-I287 HydrophobicContact CG1-CG1 4.27Å; V270-I287 PolarHBondContact N-O 3.47Å; V270-I287 PolarHBondContact O-N 3.31Å; V270-W294 HydrophobicContact CB-CH2 4.44Å; V270-W294 HydrophobicContact CB-CZ3 4.2Å; V270-W294 HydrophobicContact CG2-CH2 3.41Å; V270-W294 VanDerWaalsContact CG2-CH2 3.41Å; V270-W294 HydrophobicContact CG2-CZ2 4.21Å; V270-W294 HydrophobicContact CG2-CZ3 3.61Å |
| 271 | E | 93.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.2 | -179.6 | 179.1 | 168.6 | -151.4 | 0 | 0 | 109.8 | F254 I255 H257 K285 Y286 | F254-E271 CarbonylContact C-O 3.56Å; F254-E271 VanDerWaalsContact CA-O 3.29Å; F254-E271 WeakPolarHBondContact CA-O 3.28Å; I255-E271 PolarHBondContact N-O 2.92Å; I255-E271 PolarHBondContact O-N 3.17Å; H257-E271 IonicContact CE1-OE2 2.8Å; H257-E271 IonicContact NE2-OE2 3.21Å; H257-E271 PolarHBondContact NE2-OE2 2.95Å; E271-K285 WeakPolarHBondContact CA-O 3.04Å; E271-K285 HydrophobicContact CG-CD 4.28Å; E271-K285 IonicContact OE1-NZ 3.3Å; E271-K285 PolarHBondContact OE1-NZ 3.32Å; E271-Y286 HydrophobicContact CB-CD1 3.81Å; E271-Y286 HydrophobicContact CB-CE1 3.62Å; E271-Y286 VanDerWaalsContact CD-CE1 3.44Å; E271-Y286 HydrophobicContact CG-CD1 4.05Å; E271-Y286 HydrophobicContact CG-CE1 3.48Å; E271-Y286 VanDerWaalsContact CG-CE1 3.48Å; E271-Y286 PolarHBondContact OE1-OH 2.77Å |
| 272 | F | 93 | Very high | 89.7 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 144 | 177.6 | -65.8 | -76.8 | 0 | 0 | 0 | 111.9 | P247 V249 F254 V270 L280 K285 I287 V300 | P247-F272 HydrophobicContact CG-CZ 4.08Å; V249-F272 HydrophobicContact CB-CD1 4.45Å; V249-F272 HydrophobicContact CG2-CD1 3.37Å; V249-F272 HydrophobicContact CG2-CE1 3.52Å; V249-F272 HydrophobicContact CG2-CG 4.25Å; V249-F272 HydrophobicContact CG2-CZ 4.47Å; F254-F272 HydrophobicContact CB-CD1 3.61Å; F254-F272 HydrophobicContact CB-CE1 3.77Å; F254-F272 HydrophobicContact CB-CG 4.4Å; F254-F272 HydrophobicContact CD1-CE1 4.18Å; F254-F272 HydrophobicContact CG-CE1 4.27Å; V270-F272 HydrophobicContact CG1-CE1 4.31Å; V270-F272 HydrophobicContact CG1-CE2 4.26Å; V270-F272 HydrophobicContact CG1-CZ 4.04Å; F272-L280 HydrophobicContact CB-CD2 4.31Å; F272-K285 PolarHBondContact N-O 2.83Å; F272-I287 HydrophobicContact CE2-CB 4.47Å; F272-I287 HydrophobicContact CE2-CD1 3.59Å; F272-I287 HydrophobicContact CE2-CG1 3.71Å; F272-I287 HydrophobicContact CE2-CG2 4.09Å; F272-I287 HydrophobicContact CZ-CD1 3.59Å; F272-I287 HydrophobicContact CZ-CG1 4.19Å; F272-V300 HydrophobicContact CB-CG1 3.95Å; F272-V300 HydrophobicContact CD1-CG1 4.33Å; F272-V300 HydrophobicContact CD2-CB 4.23Å; F272-V300 HydrophobicContact CD2-CG1 4.05Å; F272-V300 HydrophobicContact CD2-CG2 3.75Å; F272-V300 HydrophobicContact CE2-CB 4.37Å; F272-V300 HydrophobicContact CE2-CG2 3.76Å; F272-V300 HydrophobicContact CG-CB 4.35Å; F272-V300 HydrophobicContact CG-CG1 3.85Å; F272-V300 HydrophobicContact CG-CG2 4.36Å; F272-V300 HydrophobicContact CZ-CG2 4.39Å |
| 273 | Y | 92.3 | Very high | 89.6 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151 | 173.5 | 69.2 | -80 | 0 | 0 | 0 | 110.6 | G252 D253 I255 | G252-Y273 CarbonylContact C-O 3.6Å; G252-Y273 WeakPolarHBondContact CA-O 3.48Å; D253-Y273 VanDerWaalsContact C-CE1 3.46Å; D253-Y273 HydrophobicContact CB-CD1 4.48Å; D253-Y273 HydrophobicContact CB-CE1 3.7Å; D253-Y273 HydrophobicContact CB-CE2 4.25Å; D253-Y273 WeakPolarHBondContact CB-OH 3.39Å; D253-Y273 PolarHBondContact N-O 3.23Å; D253-Y273 VanDerWaalsContact O-CD1 3.25Å; D253-Y273 WeakPolarHBondContact O-CD1 3.48Å; D253-Y273 PolarHBondContact O-N 3.2Å; D253-Y273 VanDerWaalsContact O-O 3.13Å; D253-Y273 PolarHBondContact OD2-OH 2.81Å; I255-Y273 HydrophobicContact CD1-CD1 4.11Å; I255-Y273 HydrophobicContact CD1-CE1 4.12Å; I255-Y273 HydrophobicContact CG1-CD1 4.25Å; I255-Y273 HydrophobicContact CG1-CE1 3.98Å |
| 274 | C | 93.4 | Very high | 89.6 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 153.2 | 179.6 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | S279 L280 C302 | C274-S279 VanDerWaalsContact SG-C 3.51Å; C274-L280 VanDerWaalsContact SG-CD2 3.54Å; C274-L280 VanDerWaalsContact SG-CG 3.57Å; C274-L280 PolarHBondContact SG-N 3.37Å; C274-L280 VanDerWaalsContact SG-N 3.37Å; C274-C302 WeakPolarHBondContact CA-SG 3.37Å; C274-C302 HydrophobicContact CB-CB 3.78Å; C274-C302 WeakPolarHBondContact CB-SG 3.41Å; C274-C302 WeakPolarHBondContact SG-CB 3.41Å; C274-C302 CovalentContact SG-SG 2.03Å; C274-C302 PolarHBondContact SG-SG 2.9Å |
| 275 | N | 94.5 | Very high | 89.6 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 156.1 | 171.7 | -69.7 | -23.7 | 0 | 0 | 0 | 111 | H251 G277 Y278 | H251-N275 WeakPolarHBondContact O-CB 3.39Å; H251-N275 PolarHBondContact O-N 3.08Å; N275-G277 PolarHBondContact O-N 2.82Å; N275-Y278 HydrophobicContact CB-CD2 4.49Å; N275-Y278 WeakPolarHBondContact O-CB 3.35Å; N275-Y278 PolarHBondContact O-N 3.24Å |
| 276 | P | 92.4 | Very high | 89.9 | Confident | 131 Ų | 131 | 66 Ų | 66 | 85% | 0.851 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 132.6 | 177.7 | -27.6 | 35.6 | 0 | 0 | 0 | 113.1 | ||
| 277 | G | 88.3 | Confident | 90.2 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 43% | 0.433 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 8.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N275 K304 S305 | N275-G277 PolarHBondContact O-N 2.82Å; G277-K304 WeakPolarHBondContact O-CA 3.49Å; G277-S305 PolarHBondContact O-N 2.75Å; G277-S305 PolarHBondContact O-OG 2.9Å |
| 278 | Y | 91.9 | Very high | 90.4 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.8 | 172.5 | -65 | -106.6 | 0 | 0 | 0 | 111.1 | H251 N275 C302 I303 K304 | H251-Y278 HydrophobicContact CB-CD1 3.48Å; H251-Y278 VanDerWaalsContact CB-CD1 3.48Å; H251-Y278 HydrophobicContact CB-CD2 4Å; H251-Y278 HydrophobicContact CB-CE1 3.5Å; H251-Y278 HydrophobicContact CB-CE2 4.03Å; H251-Y278 HydrophobicContact CB-CG 3.76Å; H251-Y278 AromaticContact CD2-CE1 3.69Å; H251-Y278 AromaticContact CD2-CE2 4Å; H251-Y278 AromaticContact CD2-CZ 3.37Å; H251-Y278 PolarHBondContact CD2-OH 2.87Å; H251-Y278 AromaticContact CG-CD1 3.84Å; H251-Y278 AromaticContact CG-CE1 3.29Å; H251-Y278 AromaticContact CG-CZ 3.47Å; H251-Y278 VanDerWaalsContact CG-CZ 3.47Å; H251-Y278 AromaticContact ND1-CE1 3.56Å; H251-Y278 AromaticContact NE2-CZ 3.92Å; H251-Y278 PolarHBondContact NE2-OH 2.9Å; N275-Y278 HydrophobicContact CB-CD2 4.49Å; N275-Y278 WeakPolarHBondContact O-CB 3.35Å; N275-Y278 PolarHBondContact O-N 3.24Å; Y278-C302 HydrophobicContact CD1-CB 4.41Å; Y278-I303 CarbonylContact C-O 3.52Å; Y278-I303 WeakPolarHBondContact CA-O 3.46Å; Y278-I303 WeakPolarHBondContact CB-O 3.33Å; Y278-I303 VanDerWaalsContact CD1-C 3.47Å; Y278-K304 HydrophobicContact CD1-CB 4.26Å; Y278-K304 HydrophobicContact CE1-CB 4.09Å |
| 279 | S | 89.9 | Confident | 90.4 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.5 | 176.9 | 50.5 | 0 | 0 | 0 | 0 | 110.4 | C274 C302 I303 | C274-S279 VanDerWaalsContact SG-C 3.51Å; S279-C302 WeakPolarHBondContact O-CA 3.27Å; S279-I303 PolarHBondContact N-O 3.17Å; S279-I303 WeakPolarHBondContact O-CG1 3.35Å; S279-I303 PolarHBondContact O-N 3.49Å |
| 280 | L | 89.7 | Confident | 90.1 | Very high | 46 Ų | 46 | 63 Ų | 63 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 143.1 | 171 | -70.7 | 170 | 0 | 0 | 0 | 109.6 | F272 C274 K285 V300 | F272-L280 HydrophobicContact CB-CD2 4.31Å; C274-L280 VanDerWaalsContact SG-CD2 3.54Å; C274-L280 VanDerWaalsContact SG-CG 3.57Å; C274-L280 PolarHBondContact SG-N 3.37Å; C274-L280 VanDerWaalsContact SG-N 3.37Å; L280-K285 HydrophobicContact CD1-CB 3.4Å; L280-V300 HydrophobicContact CD2-CG1 3.58Å |
| 281 | T | 86.1 | Confident | 89.5 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 37% | 0.368 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -87.5 | -9.5 | 178.1 | -41.4 | 0 | 0 | 0 | 0 | 112.9 | Y301 I303 | T281-Y301 HydrophobicContact CG2-CD2 4.5Å; T281-Y301 HydrophobicContact CG2-CE2 3.59Å; T281-Y301 WeakPolarHBondContact CG2-OH 3.39Å; T281-Y301 PolarHBondContact N-O 2.72Å; T281-Y301 VanDerWaalsContact OG1-CD2 3.23Å; T281-Y301 WeakPolarHBondContact OG1-CD2 3.43Å; T281-Y301 WeakPolarHBondContact OG1-CE2 3.47Å; T281-Y301 PolarHBondContact OG1-O 3.44Å; T281-I303 HydrophobicContact CG2-CD1 4.17Å; T281-I303 WeakPolarHBondContact OG1-CG2 3.3Å |
| 282 | S | 80.4 | Confident | 89.1 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -118.9 | 141.7 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | Y284 | S282-Y284 PolarHBondContact O-N 2.83Å; S282-Y284 PolarHBondContact OG-N 3.25Å; S282-Y284 PolarHBondContact OG-O 2.02Å |
| 283 | D | 81.1 | Confident | 88.8 | Confident | 167 Ų | 167 | 72.3 Ų | 72.3 | 89% | 0.893 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -64.9 | -22.7 | 170.1 | -59 | -46 | 0 | 0 | 0 | 111.7 | ||
| 284 | Y | 83.8 | Confident | 88.7 | Confident | 169 Ų | 169 | 68.8 Ų | 68.8 | 66% | 0.663 | 35% | 0.354 | S | S | * | . | trans | -83.8 | 116.3 | 172.1 | -59.1 | -83.5 | 0 | 0 | 0 | 110 | S282 Y298 | S282-Y284 PolarHBondContact O-N 2.83Å; S282-Y284 PolarHBondContact OG-N 3.25Å; S282-Y284 PolarHBondContact OG-O 2.02Å; Y284-Y298 WeakPolarHBondContact CB-OH 3.43Å; Y284-Y298 PolarHBondContact O-OH 3.46Å | ||
| 285 | K | 90.1 | Very high | 88.6 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 32% | 0.317 | 36% | 0.36 | S | S | . | . | trans | -107.9 | 4.7 | 174.3 | 65.1 | 169.5 | 166.6 | 150.3 | 0 | 114 | E271 F272 L280 | E271-K285 WeakPolarHBondContact CA-O 3.04Å; E271-K285 HydrophobicContact CG-CD 4.28Å; E271-K285 IonicContact OE1-NZ 3.3Å; E271-K285 PolarHBondContact OE1-NZ 3.32Å; F272-K285 PolarHBondContact N-O 2.83Å; L280-K285 HydrophobicContact CD1-CB 3.4Å | ||
| 286 | Y | 92.4 | Very high | 88.3 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.9 | -174.9 | -59.6 | -74.1 | 0 | 0 | 0 | 111.2 | V269 V270 E271 Y298 | V269-Y286 HydrophobicContact CG1-CD1 3.91Å; V270-Y286 VanDerWaalsContact O-CA 3.31Å; V270-Y286 WeakPolarHBondContact O-CA 3.09Å; E271-Y286 HydrophobicContact CB-CD1 3.81Å; E271-Y286 HydrophobicContact CB-CE1 3.62Å; E271-Y286 VanDerWaalsContact CD-CE1 3.44Å; E271-Y286 HydrophobicContact CG-CD1 4.05Å; E271-Y286 HydrophobicContact CG-CE1 3.48Å; E271-Y286 VanDerWaalsContact CG-CE1 3.48Å; E271-Y286 PolarHBondContact OE1-OH 2.77Å; Y286-Y298 PolarHBondContact O-OH 3.07Å |
| 287 | I | 92.8 | Very high | 87.9 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.7 | 160.2 | 60.8 | 179.5 | 0 | 0 | 0 | 108.6 | P247 V270 F272 W294 F295 Y298 | P247-I287 HydrophobicContact CG-CD1 4.3Å; V270-I287 HydrophobicContact CB-CD1 4.3Å; V270-I287 HydrophobicContact CB-CG1 3.77Å; V270-I287 HydrophobicContact CG1-CD1 4.44Å; V270-I287 HydrophobicContact CG1-CG1 4.27Å; V270-I287 PolarHBondContact N-O 3.47Å; V270-I287 PolarHBondContact O-N 3.31Å; F272-I287 HydrophobicContact CE2-CB 4.47Å; F272-I287 HydrophobicContact CE2-CD1 3.59Å; F272-I287 HydrophobicContact CE2-CG1 3.71Å; F272-I287 HydrophobicContact CE2-CG2 4.09Å; F272-I287 HydrophobicContact CZ-CD1 3.59Å; F272-I287 HydrophobicContact CZ-CG1 4.19Å; I287-W294 HydrophobicContact CB-CE3 4.21Å; I287-W294 HydrophobicContact CD1-CB 4.02Å; I287-W294 HydrophobicContact CD1-CD2 3.73Å; I287-W294 HydrophobicContact CD1-CE3 3.71Å; I287-W294 HydrophobicContact CD1-CG 3.87Å; I287-W294 HydrophobicContact CD1-CZ3 4.47Å; I287-W294 HydrophobicContact CG1-CD2 4.22Å; I287-W294 HydrophobicContact CG1-CE3 3.65Å; I287-W294 HydrophobicContact CG1-CZ3 4.21Å; I287-F295 CarbonylContact C-O 3.58Å; I287-F295 WeakPolarHBondContact CA-O 3.43Å; I287-Y298 HydrophobicContact CG2-CE1 3.88Å |
| 288 | T | 92.8 | Very high | 87.7 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.7 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | T268 V269 Q290 F295 | T268-T288 CarbonylContact O-C 3.53Å; T268-T288 WeakPolarHBondContact O-CA 2.94Å; V269-T288 HydrophobicContact CG2-CG2 4.2Å; T288-Q290 HydrophobicContact CG2-CG 4.22Å; T288-Q290 PolarHBondContact O-N 2.84Å; T288-F295 PolarHBondContact N-O 2.87Å; T288-F295 PolarHBondContact O-N 3.24Å |
| 289 | C | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 114.8 | 171.7 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | C243 Y264 N265 G267 T268 W294 | C243-C289 HydrophobicContact CB-CB 3.86Å; C243-C289 WeakPolarHBondContact CB-SG 3.28Å; C243-C289 PolarHBondContact N-SG 3.03Å; C243-C289 WeakPolarHBondContact SG-CA 3.5Å; C243-C289 WeakPolarHBondContact SG-CB 3.21Å; C243-C289 CovalentContact SG-SG 2.02Å; C243-C289 PolarHBondContact SG-SG 2.03Å; Y264-C289 PolarHBondContact O-SG 3.37Å; N265-C289 WeakPolarHBondContact O-CB 3.44Å; G267-C289 PolarHBondContact N-O 2.84Å; T268-C289 PolarHBondContact O-N 3.2Å; C289-W294 HydrophobicContact CB-CE3 4.14Å; C289-W294 HydrophobicContact CB-CH2 3.96Å; C289-W294 HydrophobicContact CB-CZ3 3.72Å; C289-W294 VanDerWaalsContact N-CZ3 3.34Å |
| 290 | Q | 88.4 | Confident | 86.9 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.1 | 174.1 | -45.5 | -180 | 17.1 | 0 | 0 | 107.5 | T288 G292 E293 F295 | T288-Q290 HydrophobicContact CG2-CG 4.22Å; T288-Q290 PolarHBondContact O-N 2.84Å; Q290-G292 PolarHBondContact O-N 2.81Å; Q290-G292 VanDerWaalsContact O-N 3.08Å; Q290-E293 PolarHBondContact N-O 3.25Å; Q290-E293 PolarHBondContact O-N 2.85Å; Q290-E293 VanDerWaalsContact O-O 3.09Å; Q290-F295 HydrophobicContact CB-CD2 3.67Å; Q290-F295 HydrophobicContact CB-CE2 4.17Å; Q290-F295 HydrophobicContact CG-CB 4.28Å; Q290-F295 HydrophobicContact CG-CD2 4.07Å |
| 291 | Y | 82.6 | Confident | 86.9 | Confident | 143 Ų | 143 | 77 Ų | 77 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 39.8 | -177.5 | -45.8 | -76.2 | 0 | 0 | 0 | 114.2 | G213 L240 H266 E293 | G213-Y291 WeakPolarHBondContact CA-O 3.39Å; L240-Y291 CarbonylContact O-C 3.5Å; H266-Y291 AromaticContact CD2-CD1 3.91Å; H266-Y291 PolarHBondContact CD2-N 2.99Å; H266-Y291 AromaticContact NE2-CD1 3.88Å; H266-Y291 AromaticContact NE2-CE1 3.68Å; H266-Y291 AromaticContact NE2-CE2 3.97Å; H266-Y291 AromaticContact NE2-CZ 3.72Å; Y291-E293 VanDerWaalsContact C-N 3.31Å; Y291-E293 PolarHBondContact O-N 3.47Å |
| 292 | G | 84.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 2.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L240 C243 P244 Q290 | L240-G292 WeakPolarHBondContact O-CA 3.24Å; L240-G292 PolarHBondContact O-N 2.79Å; C243-G292 WeakPolarHBondContact CA-O 3.04Å; C243-G292 WeakPolarHBondContact SG-CA 3.46Å; P244-G292 WeakPolarHBondContact CD-O 3.47Å; Q290-G292 PolarHBondContact O-N 2.81Å; Q290-G292 VanDerWaalsContact O-N 3.08Å |
| 293 | E | 87.8 | Confident | 87.7 | Confident | 92 Ų | 92 | 76.3 Ų | 76.3 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.1 | 171.2 | -69.8 | -179.9 | -179.8 | 0 | 0 | 111.4 | C243 Q290 Y291 F295 | C243-E293 VanDerWaalsContact SG-C 3.58Å; C243-E293 PolarHBondContact SG-N 2.83Å; C243-E293 VanDerWaalsContact SG-N 3.39Å; C243-E293 PolarHBondContact SG-O 3.25Å; Q290-E293 PolarHBondContact N-O 3.25Å; Q290-E293 PolarHBondContact O-N 2.85Å; Q290-E293 VanDerWaalsContact O-O 3.09Å; Y291-E293 VanDerWaalsContact C-N 3.31Å; Y291-E293 PolarHBondContact O-N 3.47Å; E293-F295 HydrophobicContact CB-CD2 4.23Å; E293-F295 HydrophobicContact CB-CE2 3.55Å; E293-F295 HydrophobicContact CB-CZ 4.09Å; E293-F295 WeakPolarHBondContact O-CD2 3Å |
| 294 | W | 89.7 | Confident | 88.1 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.5 | 179.4 | -72.6 | 113.7 | 0 | 0 | 0 | 111 | C243 P244 P246 Y264 T268 V270 I287 C289 | C243-W294 HydrophobicContact CB-CD2 4.16Å; C243-W294 HydrophobicContact CB-CH2 4.27Å; C243-W294 HydrophobicContact CB-CZ2 3.61Å; P244-W294 PolarHBondContact O-NE1 3.39Å; P246-W294 HydrophobicContact CB-CZ2 4.48Å; P246-W294 HydrophobicContact CG-CH2 4.2Å; P246-W294 HydrophobicContact CG-CZ2 3.65Å; Y264-W294 AromaticContact CD1-CH2 3.75Å; Y264-W294 HydrophobicContact CD1-CH2 3.75Å; Y264-W294 AromaticContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CG-CH2 4.04Å; Y264-W294 AromaticContact CG-CZ2 3.72Å; Y264-W294 HydrophobicContact CG-CZ2 3.72Å; T268-W294 HydrophobicContact CG2-CH2 4.39Å; V270-W294 HydrophobicContact CB-CH2 4.44Å; V270-W294 HydrophobicContact CB-CZ3 4.2Å; V270-W294 HydrophobicContact CG2-CH2 3.41Å; V270-W294 VanDerWaalsContact CG2-CH2 3.41Å; V270-W294 HydrophobicContact CG2-CZ2 4.21Å; V270-W294 HydrophobicContact CG2-CZ3 3.61Å; I287-W294 HydrophobicContact CB-CE3 4.21Å; I287-W294 HydrophobicContact CD1-CB 4.02Å; I287-W294 HydrophobicContact CD1-CD2 3.73Å; I287-W294 HydrophobicContact CD1-CE3 3.71Å; I287-W294 HydrophobicContact CD1-CG 3.87Å; I287-W294 HydrophobicContact CD1-CZ3 4.47Å; I287-W294 HydrophobicContact CG1-CD2 4.22Å; I287-W294 HydrophobicContact CG1-CE3 3.65Å; I287-W294 HydrophobicContact CG1-CZ3 4.21Å; C289-W294 HydrophobicContact CB-CE3 4.14Å; C289-W294 HydrophobicContact CB-CH2 3.96Å; C289-W294 HydrophobicContact CB-CZ3 3.72Å; C289-W294 VanDerWaalsContact N-CZ3 3.34Å |
| 295 | F | 90.3 | Very high | 87.9 | Confident | 72 Ų | 72 | 69 Ų | 69 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.8 | -179.9 | -71.4 | -85.1 | 0 | 0 | 0 | 113 | I287 T288 Q290 E293 | I287-F295 CarbonylContact C-O 3.58Å; I287-F295 WeakPolarHBondContact CA-O 3.43Å; T288-F295 PolarHBondContact N-O 2.87Å; T288-F295 PolarHBondContact O-N 3.24Å; Q290-F295 HydrophobicContact CB-CD2 3.67Å; Q290-F295 HydrophobicContact CB-CE2 4.17Å; Q290-F295 HydrophobicContact CG-CB 4.28Å; Q290-F295 HydrophobicContact CG-CD2 4.07Å; E293-F295 HydrophobicContact CB-CD2 4.23Å; E293-F295 HydrophobicContact CB-CE2 3.55Å; E293-F295 HydrophobicContact CB-CZ 4.09Å; E293-F295 WeakPolarHBondContact O-CD2 3Å |
| 296 | P | 89.8 | Confident | 87 | Confident | 72 Ų | 72 | 74.9 Ų | 74.9 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | S | Bend | cis | -72.6 | 151.5 | -8.4 | 12.4 | -4.9 | 0 | 0 | 0 | 112.2 | Y298 | P296-Y298 VanDerWaalsContact C-N 3.26Å; P296-Y298 HydrophobicContact CB-CD1 3.8Å; P296-Y298 HydrophobicContact CB-CE1 4.08Å; P296-Y298 HydrophobicContact CG-CD1 3.83Å; P296-Y298 HydrophobicContact CG-CE1 3.61Å; P296-Y298 WeakPolarHBondContact O-CD1 3.45Å; P296-Y298 WeakPolarHBondContact O-CE1 3.31Å; P296-Y298 PolarHBondContact O-N 2.73Å; P296-Y298 VanDerWaalsContact O-N 3.07Å |
| 297 | S | 83.9 | Confident | 85.3 | Confident | 107 Ų | 107 | 77.2 Ų | 77.2 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | trans | -85.8 | 39.6 | -170.5 | 51.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 298 | Y | 82.8 | Confident | 83.1 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 155.2 | 179.7 | 64.9 | -71.2 | 0 | 0 | 0 | 112 | Y284 Y286 I287 P296 V300 | Y284-Y298 WeakPolarHBondContact CB-OH 3.43Å; Y284-Y298 PolarHBondContact O-OH 3.46Å; Y286-Y298 PolarHBondContact O-OH 3.07Å; I287-Y298 HydrophobicContact CG2-CE1 3.88Å; P296-Y298 VanDerWaalsContact C-N 3.26Å; P296-Y298 HydrophobicContact CB-CD1 3.8Å; P296-Y298 HydrophobicContact CB-CE1 4.08Å; P296-Y298 HydrophobicContact CG-CD1 3.83Å; P296-Y298 HydrophobicContact CG-CE1 3.61Å; P296-Y298 WeakPolarHBondContact O-CD1 3.45Å; P296-Y298 WeakPolarHBondContact O-CE1 3.31Å; P296-Y298 PolarHBondContact O-N 2.73Å; P296-Y298 VanDerWaalsContact O-N 3.07Å; Y298-V300 HydrophobicContact CD2-CG2 4.08Å; Y298-V300 HydrophobicContact CE2-CG2 3.57Å |
| 299 | Q | 81.3 | Confident | 80.5 | Confident | 171 Ų | 171 | 92.7 Ų | 92.7 | 80% | 0.799 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 121.9 | 174.6 | -68.1 | -177.5 | -3 | 0 | 0 | 110.4 | Y301 | Q299-Y301 WeakPolarHBondContact O-CD1 3.5Š|
| 300 | V | 85.1 | Confident | 78.4 | Confident | 16 Ų | 16 | 97.2 Ų | 97.2 | 10% | 0.097 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 126.7 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | V249 F272 L280 Y298 | V249-V300 HydrophobicContact CG1-CG1 4.4Å; V249-V300 HydrophobicContact CG2-CB 3.94Å; V249-V300 HydrophobicContact CG2-CG1 3.91Å; F272-V300 HydrophobicContact CB-CG1 3.95Å; F272-V300 HydrophobicContact CD1-CG1 4.33Å; F272-V300 HydrophobicContact CD2-CB 4.23Å; F272-V300 HydrophobicContact CD2-CG1 4.05Å; F272-V300 HydrophobicContact CD2-CG2 3.75Å; F272-V300 HydrophobicContact CE2-CB 4.37Å; F272-V300 HydrophobicContact CE2-CG2 3.76Å; F272-V300 HydrophobicContact CG-CB 4.35Å; F272-V300 HydrophobicContact CG-CG1 3.85Å; F272-V300 HydrophobicContact CG-CG2 4.36Å; F272-V300 HydrophobicContact CZ-CG2 4.39Å; L280-V300 HydrophobicContact CD2-CG1 3.58Å; Y298-V300 HydrophobicContact CD2-CG2 4.08Å; Y298-V300 HydrophobicContact CE2-CG2 3.57Å |
| 301 | Y | 89.4 | Confident | 76.3 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | trans | -143.1 | 137.7 | 177.4 | 57.9 | -79.7 | 0 | 0 | 0 | 111.6 | T281 Q299 I303 | T281-Y301 HydrophobicContact CG2-CD2 4.5Å; T281-Y301 HydrophobicContact CG2-CE2 3.59Å; T281-Y301 WeakPolarHBondContact CG2-OH 3.39Å; T281-Y301 PolarHBondContact N-O 2.72Å; T281-Y301 VanDerWaalsContact OG1-CD2 3.23Å; T281-Y301 WeakPolarHBondContact OG1-CD2 3.43Å; T281-Y301 WeakPolarHBondContact OG1-CE2 3.47Å; T281-Y301 PolarHBondContact OG1-O 3.44Å; Q299-Y301 WeakPolarHBondContact O-CD1 3.5Å; Y301-I303 HydrophobicContact CD2-CG2 3.87Å; Y301-I303 HydrophobicContact CE2-CG2 3.96Å | ||
| 302 | C | 92 | Very high | 74.9 | Confident | 7 Ų | 7 | 93.9 Ų | 93.9 | 5% | 0.047 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.4 | 176.5 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | V249 S250 H251 C274 Y278 S279 | V249-C302 HydrophobicContact CG1-CB 4.37Å; S250-C302 WeakPolarHBondContact O-CB 3.25Å; H251-C302 HydrophobicContact CB-CB 4.32Å; C274-C302 WeakPolarHBondContact CA-SG 3.37Å; C274-C302 HydrophobicContact CB-CB 3.78Å; C274-C302 WeakPolarHBondContact CB-SG 3.41Å; C274-C302 WeakPolarHBondContact SG-CB 3.41Å; C274-C302 CovalentContact SG-SG 2.03Å; C274-C302 PolarHBondContact SG-SG 2.9Å; Y278-C302 HydrophobicContact CD1-CB 4.41Å; S279-C302 WeakPolarHBondContact O-CA 3.27Å |
| 303 | I | 91.7 | Very high | 73.4 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 150.2 | 172.1 | 55 | 173.3 | 0 | 0 | 0 | 110 | Y278 S279 T281 Y301 S305 | Y278-I303 CarbonylContact C-O 3.52Å; Y278-I303 WeakPolarHBondContact CA-O 3.46Å; Y278-I303 WeakPolarHBondContact CB-O 3.33Å; Y278-I303 VanDerWaalsContact CD1-C 3.47Å; S279-I303 PolarHBondContact N-O 3.17Å; S279-I303 WeakPolarHBondContact O-CG1 3.35Å; S279-I303 PolarHBondContact O-N 3.49Å; T281-I303 HydrophobicContact CG2-CD1 4.17Å; T281-I303 WeakPolarHBondContact OG1-CG2 3.3Å; Y301-I303 HydrophobicContact CD2-CG2 3.87Å; Y301-I303 HydrophobicContact CE2-CG2 3.96Å; I303-S305 PolarHBondContact O-N 3Å |
| 304 | K | 89.4 | Confident | 71.7 | Confident | 158 Ų | 158 | 102.2 Ų | 102.2 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 125 | 175.1 | -174.1 | -178.6 | -179.1 | -177.6 | 0 | 108.4 | G277 Y278 E306 | G277-K304 WeakPolarHBondContact O-CA 3.49Å; Y278-K304 HydrophobicContact CD1-CB 4.26Å; Y278-K304 HydrophobicContact CE1-CB 4.09Å; K304-E306 PolarHBondContact O-N 3.19Å |
| 305 | S | 78.9 | Confident | 70.1 | Confident | 24 Ų | 24 | 104.8 Ų | 104.8 | 17% | 0.168 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 118.2 | -176.7 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | G277 I303 Q307 | G277-S305 PolarHBondContact O-N 2.75Å; G277-S305 PolarHBondContact O-OG 2.9Å; I303-S305 PolarHBondContact O-N 3Å; S305-Q307 PolarHBondContact O-N 3.42Å |
| 306 | E | 70.4 | Confident | 68.3 | Low | 197 Ų | 197 | 106.1 Ų | 106.1 | 92% | 0.921 | 55% | 0.545 | S | S | * | . | trans | -73.2 | 62.3 | 162.3 | -68.8 | -163.4 | 161.6 | 0 | 0 | 109.6 | K304 T308 | K304-E306 PolarHBondContact O-N 3.19Å; E306-T308 PolarHBondContact O-N 3.45Å | ||
| 307 | Q | 56.9 | Low | 66.8 | Low | 153 Ų | 153 | 107.3 Ų | 107.3 | 72% | 0.715 | 55% | 0.547 | S | S | * | . | trans | -62.1 | 111.1 | 155.4 | -76.3 | 174.9 | -4.1 | 0 | 0 | 105.8 | S305 W309 | S305-Q307 PolarHBondContact O-N 3.42Å; Q307-W309 VanDerWaalsContact C-N 3.34Å; Q307-W309 PolarHBondContact O-N 3.38Å | ||
| 308 | T | 47.7 | Very low | 65.6 | Low | 130 Ų | 130 | 105.5 Ų | 105.5 | 80% | 0.798 | 53% | 0.532 | S | S | * | . | trans | -47 | 103.6 | 164.4 | 35 | 0 | 0 | 0 | 0 | 108 | E306 P310 | E306-T308 PolarHBondContact O-N 3.45Å; T308-P310 WeakPolarHBondContact O-CD 3.45Å; T308-P310 VanDerWaalsContact O-N 3.16Å | ||
| 309 | W | 38.7 | Very low | 64.4 | Low | 238 Ų | 238 | 106.3 Ų | 106.3 | 90% | 0.902 | 54% | 0.543 | S | S | * | . | trans | -47.2 | 124.9 | 146.3 | -78.3 | 81 | 0 | 0 | 0 | 105.2 | Q307 G311 | Q307-W309 VanDerWaalsContact C-N 3.34Å; Q307-W309 PolarHBondContact O-N 3.38Å; W309-G311 PolarHBondContact O-N 3.05Å | ||
| 310 | P | 46.2 | Very low | 63.3 | Low | 96 Ų | 96 | 107.7 Ų | 107.7 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | trans | -61.8 | 99.6 | 170.1 | 25.2 | -31.3 | 0 | 0 | 0 | 105.5 | T308 T312 | T308-P310 WeakPolarHBondContact O-CD 3.45Å; T308-P310 VanDerWaalsContact O-N 3.16Å; P310-T312 PolarHBondContact O-N 2.93Å | ||
| 311 | G | 44.2 | Very low | 62.1 | Low | 42 Ų | 42 | 113.5 Ų | 113.5 | 43% | 0.433 | 57% | 0.565 | S | S | . | * | trans | -53.4 | 132.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | W309 H313 E314 | W309-G311 PolarHBondContact O-N 3.05Å; G311-H313 PolarHBondContact O-N 3.25Å; G311-E314 PolarHBondContact O-N 3.27Å | ||
| 312 | T | 53.5 | Low | 60.9 | Low | 111 Ų | 111 | 113 Ų | 113 | 68% | 0.681 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59 | -3.5 | -173.8 | 45.5 | 0 | 0 | 0 | 0 | 114.1 | P310 T315 L316 | P310-T312 PolarHBondContact O-N 2.93Å; T312-T315 PolarHBondContact O-OG1 3.03Å; T312-L316 WeakPolarHBondContact O-CB 3.36Å; T312-L316 PolarHBondContact O-N 2.91Å |
| 313 | H | 52.4 | Low | 59.7 | Low | 144 Ų | 144 | 117.1 Ų | 117.1 | 67% | 0.667 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.8 | -37.7 | 165.9 | -82.8 | -102.8 | 0 | 0 | 0 | 115 | G311 L316 L317 | G311-H313 PolarHBondContact O-N 3.25Å; H313-L316 PolarHBondContact O-N 3.1Å; H313-L317 WeakPolarHBondContact O-CB 3.31Å; H313-L317 WeakPolarHBondContact O-CG 3.17Å; H313-L317 PolarHBondContact O-N 2.96Å |
| 314 | E | 52 | Low | 58.4 | Low | 126 Ų | 126 | 115.9 Ų | 115.9 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.1 | -42.2 | -178.8 | -79.4 | -73.5 | 133.2 | 0 | 0 | 111.2 | G311 L316 L317 T318 | G311-E314 PolarHBondContact O-N 3.27Å; E314-L316 VanDerWaalsContact C-N 3.33Å; E314-L316 PolarHBondContact O-N 3.39Å; E314-L317 PolarHBondContact O-N 2.82Å; E314-T318 WeakPolarHBondContact O-CB 3.26Å; E314-T318 WeakPolarHBondContact O-CG2 3.29Å; E314-T318 PolarHBondContact O-N 3.45Å; E314-T318 PolarHBondContact O-OG1 3.04Å |
| 315 | T | 54.8 | Low | 57.3 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69 | -30.3 | 175.1 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | T312 T318 T319 | T312-T315 PolarHBondContact O-OG1 3.03Å; T315-T318 WeakPolarHBondContact CA-OG1 3.49Å; T315-T318 PolarHBondContact O-OG1 3.02Å; T315-T319 WeakPolarHBondContact O-CB 3.4Å; T315-T319 VanDerWaalsContact O-CG2 3.27Å; T315-T319 WeakPolarHBondContact O-CG2 3.47Å; T315-T319 PolarHBondContact O-N 3.49Å; T315-T319 PolarHBondContact O-OG1 2.94Å |
| 316 | L | 54.3 | Low | 56.9 | Low | 100 Ų | 100 | 117.8 Ų | 117.8 | 52% | 0.524 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.3 | -41.4 | 173.9 | -122.7 | 164 | 0 | 0 | 0 | 112.3 | T312 H313 E314 T319 W320 | T312-L316 WeakPolarHBondContact O-CB 3.36Å; T312-L316 PolarHBondContact O-N 2.91Å; H313-L316 PolarHBondContact O-N 3.1Å; E314-L316 VanDerWaalsContact C-N 3.33Å; E314-L316 PolarHBondContact O-N 3.39Å; L316-T319 WeakPolarHBondContact CA-OG1 3.17Å; L316-T319 PolarHBondContact O-OG1 3.37Å; L316-T319 VanDerWaalsContact O-OG1 3.07Å; L316-W320 WeakPolarHBondContact O-CB 3.38Å; L316-W320 PolarHBondContact O-N 3.04Å |
| 317 | L | 56.3 | Low | 56.9 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.8 | -38 | 179.3 | -79.8 | 163.3 | 0 | 0 | 0 | 112.7 | H313 E314 K321 | H313-L317 WeakPolarHBondContact O-CB 3.31Å; H313-L317 WeakPolarHBondContact O-CG 3.17Å; H313-L317 PolarHBondContact O-N 2.96Å; E314-L317 PolarHBondContact O-N 2.82Å; L317-K321 WeakPolarHBondContact O-CB 3.42Å; L317-K321 WeakPolarHBondContact O-CG 3.09Å; L317-K321 PolarHBondContact O-N 3.36Å |
| 318 | T | 59 | Low | 58 | Low | 70 Ų | 70 | 107.6 Ų | 107.6 | 43% | 0.429 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67 | -44.2 | 173.7 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | E314 T315 K321 I322 | E314-T318 WeakPolarHBondContact O-CB 3.26Å; E314-T318 WeakPolarHBondContact O-CG2 3.29Å; E314-T318 PolarHBondContact O-N 3.45Å; E314-T318 PolarHBondContact O-OG1 3.04Å; T315-T318 WeakPolarHBondContact CA-OG1 3.49Å; T315-T318 PolarHBondContact O-OG1 3.02Å; T318-K321 PolarHBondContact O-N 2.64Å; T318-I322 WeakPolarHBondContact O-CD1 3.25Å; T318-I322 VanDerWaalsContact O-CG1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.29Å; T318-I322 PolarHBondContact O-N 3.16Å |
| 319 | T | 58.1 | Low | 59.5 | Low | 75 Ų | 75 | 104.6 Ų | 104.6 | 46% | 0.46 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.5 | -40.8 | 175.5 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | T315 L316 K321 I322 V323 | T315-T319 WeakPolarHBondContact O-CB 3.4Å; T315-T319 VanDerWaalsContact O-CG2 3.27Å; T315-T319 WeakPolarHBondContact O-CG2 3.47Å; T315-T319 PolarHBondContact O-N 3.49Å; T315-T319 PolarHBondContact O-OG1 2.94Å; L316-T319 WeakPolarHBondContact CA-OG1 3.17Å; L316-T319 PolarHBondContact O-OG1 3.37Å; L316-T319 VanDerWaalsContact O-OG1 3.07Å; T319-K321 PolarHBondContact O-N 2.93Å; T319-I322 PolarHBondContact O-N 3.41Å; T319-V323 WeakPolarHBondContact O-CG2 3.04Å; T319-V323 PolarHBondContact O-N 2.91Å |
| 320 | W | 58.3 | Low | 61.6 | Low | 199 Ų | 199 | 97.5 Ų | 97.5 | 75% | 0.754 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.2 | -41.2 | 173.6 | -111.7 | 53.2 | 0 | 0 | 0 | 112.7 | L316 V323 A324 | L316-W320 WeakPolarHBondContact O-CB 3.38Å; L316-W320 PolarHBondContact O-N 3.04Å; W320-V323 PolarHBondContact O-N 3.46Å; W320-A324 WeakPolarHBondContact O-CB 3.48Å; W320-A324 PolarHBondContact O-N 3.15Å |
| 321 | K | 60.2 | Low | 63.4 | Low | 139 Ų | 139 | 98.6 Ų | 98.6 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 174.3 | -79.3 | 175.8 | 174 | 176.4 | 0 | 111.5 | L317 T318 T319 V323 A324 F325 | L317-K321 WeakPolarHBondContact O-CB 3.42Å; L317-K321 WeakPolarHBondContact O-CG 3.09Å; L317-K321 PolarHBondContact O-N 3.36Å; T318-K321 PolarHBondContact O-N 2.64Å; T319-K321 PolarHBondContact O-N 2.93Å; K321-V323 PolarHBondContact O-N 2.92Å; K321-A324 PolarHBondContact O-N 2.91Å; K321-F325 VanDerWaalsContact O-CD2 3.29Å; K321-F325 WeakPolarHBondContact O-CD2 3.37Å; K321-F325 PolarHBondContact O-N 3.32Å |
| 322 | I | 64.6 | Low | 65.2 | Low | 109 Ų | 109 | 101.7 Ų | 101.7 | 56% | 0.559 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | 179 | -66.1 | 162.9 | 0 | 0 | 0 | 111.4 | T318 T319 T326 | T318-I322 WeakPolarHBondContact O-CD1 3.25Å; T318-I322 VanDerWaalsContact O-CG1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.29Å; T318-I322 PolarHBondContact O-N 3.16Å; T319-I322 PolarHBondContact O-N 3.41Å; I322-T326 WeakPolarHBondContact O-CB 3.34Å; I322-T326 WeakPolarHBondContact O-CG2 3.5Å; I322-T326 PolarHBondContact O-N 2.83Å; I322-T326 PolarHBondContact O-OG1 3.11Å |
| 323 | V | 65.4 | Low | 66.7 | Low | 93 Ų | 93 | 100.6 Ų | 100.6 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67 | -39.2 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | T319 W320 K321 T326 A327 | T319-V323 WeakPolarHBondContact O-CG2 3.04Å; T319-V323 PolarHBondContact O-N 2.91Å; W320-V323 PolarHBondContact O-N 3.46Å; K321-V323 PolarHBondContact O-N 2.92Å; V323-T326 WeakPolarHBondContact CA-OG1 3.44Å; V323-T326 PolarHBondContact O-OG1 2.66Å; V323-T326 VanDerWaalsContact O-OG1 3.1Å; V323-A327 VanDerWaalsContact O-CB 3.26Å; V323-A327 WeakPolarHBondContact O-CB 3.39Å; V323-A327 PolarHBondContact O-N 3.09Å |
| 324 | A | 65.3 | Low | 68.2 | Low | 53 Ų | 53 | 98.6 Ų | 98.6 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W320 K321 T328 | W320-A324 WeakPolarHBondContact O-CB 3.48Å; W320-A324 PolarHBondContact O-N 3.15Å; K321-A324 PolarHBondContact O-N 2.91Å; A324-T328 WeakPolarHBondContact O-CG2 3.49Å; A324-T328 PolarHBondContact O-N 2.76Å; A324-T328 PolarHBondContact O-OG1 3.02Å |
| 325 | F | 67.3 | Low | 69.8 | Low | 143 Ų | 143 | 96.7 Ų | 96.7 | 63% | 0.627 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.8 | -36.7 | 176.2 | -86.7 | -71.9 | 0 | 0 | 0 | 112.8 | K321 T328 S329 | K321-F325 VanDerWaalsContact O-CD2 3.29Å; K321-F325 WeakPolarHBondContact O-CD2 3.37Å; K321-F325 PolarHBondContact O-N 3.32Å; F325-T328 WeakPolarHBondContact CA-OG1 3.35Å; F325-T328 PolarHBondContact O-OG1 2.69Å; F325-S329 WeakPolarHBondContact O-CB 3.32Å; F325-S329 PolarHBondContact O-N 2.85Å; F325-S329 PolarHBondContact O-OG 2.98Å |
| 326 | T | 69.3 | Low | 71.1 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 174.9 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | I322 V323 S329 V330 | I322-T326 WeakPolarHBondContact O-CB 3.34Å; I322-T326 WeakPolarHBondContact O-CG2 3.5Å; I322-T326 PolarHBondContact O-N 2.83Å; I322-T326 PolarHBondContact O-OG1 3.11Å; V323-T326 WeakPolarHBondContact CA-OG1 3.44Å; V323-T326 PolarHBondContact O-OG1 2.66Å; V323-T326 VanDerWaalsContact O-OG1 3.1Å; T326-S329 PolarHBondContact O-N 2.85Å; T326-V330 WeakPolarHBondContact O-CG2 3.34Å; T326-V330 PolarHBondContact O-N 2.97Å |
| 327 | A | 71.6 | Confident | 72.5 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V323 V330 L331 | V323-A327 VanDerWaalsContact O-CB 3.26Å; V323-A327 WeakPolarHBondContact O-CB 3.39Å; V323-A327 PolarHBondContact O-N 3.09Å; A327-V330 PolarHBondContact O-N 3.36Å; A327-L331 WeakPolarHBondContact O-CB 3.33Å; A327-L331 PolarHBondContact O-N 2.79Å |
| 328 | T | 78.3 | Confident | 73.7 | Confident | 78 Ų | 78 | 97 Ų | 97 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 177 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | A324 F325 L331 L332 | A324-T328 WeakPolarHBondContact O-CG2 3.49Å; A324-T328 PolarHBondContact O-N 2.76Å; A324-T328 PolarHBondContact O-OG1 3.02Å; F325-T328 WeakPolarHBondContact CA-OG1 3.35Å; F325-T328 PolarHBondContact O-OG1 2.69Å; T328-L331 PolarHBondContact O-N 3.31Å; T328-L332 WeakPolarHBondContact O-CB 3.37Å; T328-L332 PolarHBondContact O-N 2.91Å |
| 329 | S | 79.6 | Confident | 74.6 | Confident | 68 Ų | 68 | 97.9 Ų | 97.9 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 173.9 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | F325 T326 L332 V333 | F325-S329 WeakPolarHBondContact O-CB 3.32Å; F325-S329 PolarHBondContact O-N 2.85Å; F325-S329 PolarHBondContact O-OG 2.98Å; T326-S329 PolarHBondContact O-N 2.85Å; S329-L332 PolarHBondContact O-N 3.5Å; S329-V333 WeakPolarHBondContact O-CG2 3.4Å; S329-V333 PolarHBondContact O-N 3.31Å |
| 330 | V | 83.9 | Confident | 75.3 | Confident | 88 Ų | 88 | 96.8 Ų | 96.8 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | T326 A327 V333 L334 | T326-V330 WeakPolarHBondContact O-CG2 3.34Å; T326-V330 PolarHBondContact O-N 2.97Å; A327-V330 PolarHBondContact O-N 3.36Å; V330-V333 PolarHBondContact O-N 2.95Å; V330-L334 HydrophobicContact CG1-CD1 4.05Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 WeakPolarHBondContact O-CG 3.28Å; V330-L334 PolarHBondContact O-N 3.28Å |
| 331 | L | 82.2 | Confident | 75.9 | Confident | 120 Ų | 120 | 96.2 Ų | 96.2 | 63% | 0.628 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.5 | -37.2 | 179.6 | -160.9 | 131 | 0 | 0 | 0 | 112.1 | A327 T328 L335 | A327-L331 WeakPolarHBondContact O-CB 3.33Å; A327-L331 PolarHBondContact O-N 2.79Å; T328-L331 PolarHBondContact O-N 3.31Å; L331-L335 VanDerWaalsContact O-CB 3.31Å; L331-L335 WeakPolarHBondContact O-CB 3.27Å; L331-L335 PolarHBondContact O-N 2.78Å |
| 332 | L | 83.3 | Confident | 76.2 | Confident | 107 Ų | 107 | 95.4 Ų | 95.4 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 171 | -102 | 165.3 | 0 | 0 | 0 | 112.2 | T328 S329 L334 L335 L336 | T328-L332 WeakPolarHBondContact O-CB 3.37Å; T328-L332 PolarHBondContact O-N 2.91Å; S329-L332 PolarHBondContact O-N 3.5Å; L332-L334 PolarHBondContact O-N 2.88Å; L332-L335 PolarHBondContact O-N 3.27Å; L332-L336 WeakPolarHBondContact O-CB 3.21Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 2.85Å |
| 333 | V | 84.4 | Confident | 76.2 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 177.4 | 170.5 | 0 | 0 | 0 | 0 | 111 | S329 V330 L336 V337 | S329-V333 WeakPolarHBondContact O-CG2 3.4Å; S329-V333 PolarHBondContact O-N 3.31Å; V330-V333 PolarHBondContact O-N 2.95Å; V333-L336 PolarHBondContact O-N 3.38Å; V333-V337 HydrophobicContact CG1-CG2 4.46Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.3Å; V333-V337 PolarHBondContact O-N 2.82Å |
| 334 | L | 84.8 | Confident | 75.9 | Confident | 101 Ų | 101 | 99.7 Ų | 99.7 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.8 | -71.8 | 173.2 | 0 | 0 | 0 | 111.8 | V330 L332 V337 I338 | V330-L334 HydrophobicContact CG1-CD1 4.05Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 WeakPolarHBondContact O-CG 3.28Å; V330-L334 PolarHBondContact O-N 3.28Å; L332-L334 PolarHBondContact O-N 2.88Å; L334-V337 PolarHBondContact O-N 2.86Å; L334-I338 VanDerWaalsContact O-CG1 3.27Å; L334-I338 WeakPolarHBondContact O-CG1 3.24Å; L334-I338 PolarHBondContact O-N 3.23Å |
| 335 | L | 84.3 | Confident | 75.4 | Confident | 87 Ų | 87 | 102.6 Ų | 102.6 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.3 | -164.5 | 151.4 | 0 | 0 | 0 | 111.5 | L331 L332 I338 L339 | L331-L335 VanDerWaalsContact O-CB 3.31Å; L331-L335 WeakPolarHBondContact O-CB 3.27Å; L331-L335 PolarHBondContact O-N 2.78Å; L332-L335 PolarHBondContact O-N 3.27Å; L335-I338 PolarHBondContact O-N 2.88Å; L335-L339 HydrophobicContact CD2-CD1 3.59Å; L335-L339 HydrophobicContact CD2-CG 4.03Å; L335-L339 WeakPolarHBondContact O-CB 3.46Å; L335-L339 WeakPolarHBondContact O-CG 3.42Å; L335-L339 PolarHBondContact O-N 3.27Å |
| 336 | L | 83.4 | Confident | 74.8 | Confident | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.1 | -38.1 | 172.3 | -72.6 | 171.8 | 0 | 0 | 0 | 112.3 | L332 V333 A340 | L332-L336 WeakPolarHBondContact O-CB 3.21Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 2.85Å; V333-L336 PolarHBondContact O-N 3.38Å; L336-A340 WeakPolarHBondContact O-CB 3.37Å; L336-A340 PolarHBondContact O-N 3.19Å |
| 337 | V | 83.3 | Confident | 74 | Confident | 75 Ų | 75 | 108.3 Ų | 108.3 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67 | -38.4 | 173.9 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | V333 L334 A340 R341 | V333-V337 HydrophobicContact CG1-CG2 4.46Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.3Å; V333-V337 PolarHBondContact O-N 2.82Å; L334-V337 PolarHBondContact O-N 2.86Å; V337-A340 PolarHBondContact O-N 2.85Å; V337-R341 HydrophobicContact CG1-CG 4.48Å; V337-R341 WeakPolarHBondContact O-CB 2.96Å; V337-R341 WeakPolarHBondContact O-CG 3.2Å; V337-R341 PolarHBondContact O-N 3.5Å |
| 338 | I | 80.6 | Confident | 72.8 | Confident | 105 Ų | 105 | 113.5 Ų | 113.5 | 54% | 0.538 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -48.4 | 174.6 | -69.3 | 162.7 | 0 | 0 | 0 | 110.4 | L334 L335 A340 R341 M342 | L334-I338 VanDerWaalsContact O-CG1 3.27Å; L334-I338 WeakPolarHBondContact O-CG1 3.24Å; L334-I338 PolarHBondContact O-N 3.23Å; L335-I338 PolarHBondContact O-N 2.88Å; I338-A340 PolarHBondContact O-N 3.46Å; I338-R341 PolarHBondContact O-N 2.8Å; I338-M342 HydrophobicContact CG2-SD 4.37Å; I338-M342 WeakPolarHBondContact O-CG 3.04Å; I338-M342 PolarHBondContact O-N 3.05Å |
| 339 | L | 78 | Confident | 71.3 | Confident | 89 Ų | 89 | 113.4 Ų | 113.4 | 47% | 0.466 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.1 | -43.7 | 175.1 | -71.8 | 177.8 | 0 | 0 | 0 | 111.7 | L335 R341 M342 F343 | L335-L339 HydrophobicContact CD2-CD1 3.59Å; L335-L339 HydrophobicContact CD2-CG 4.03Å; L335-L339 WeakPolarHBondContact O-CB 3.46Å; L335-L339 WeakPolarHBondContact O-CG 3.42Å; L335-L339 PolarHBondContact O-N 3.27Å; L339-R341 VanDerWaalsContact C-N 3.35Å; L339-R341 PolarHBondContact O-N 2.86Å; L339-M342 PolarHBondContact O-N 3.33Å; L339-F343 PolarHBondContact O-N 3.46Å |
| 340 | A | 74 | Confident | 69.4 | Low | 52 Ų | 52 | 119.3 Ų | 119.3 | 43% | 0.43 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.9 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L336 V337 I338 F343 Q344 | L336-A340 WeakPolarHBondContact O-CB 3.37Å; L336-A340 PolarHBondContact O-N 3.19Å; V337-A340 PolarHBondContact O-N 2.85Å; I338-A340 PolarHBondContact O-N 3.46Å; A340-F343 PolarHBondContact O-N 3.33Å; A340-Q344 VanDerWaalsContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CG 3.38Å; A340-Q344 PolarHBondContact O-N 3.48Å |
| 341 | R | 69.8 | Low | 67 | Low | 187 Ų | 187 | 123.5 Ų | 123.5 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.8 | -40.5 | 173.7 | -74.8 | -72.8 | -176.7 | 170.9 | 1 | 111.9 | V337 I338 L339 Q344 T345 | V337-R341 HydrophobicContact CG1-CG 4.48Å; V337-R341 WeakPolarHBondContact O-CB 2.96Å; V337-R341 WeakPolarHBondContact O-CG 3.2Å; V337-R341 PolarHBondContact O-N 3.5Å; I338-R341 PolarHBondContact O-N 2.8Å; L339-R341 VanDerWaalsContact C-N 3.35Å; L339-R341 PolarHBondContact O-N 2.86Å; R341-Q344 PolarHBondContact O-N 2.93Å; R341-T345 WeakPolarHBondContact O-CG2 3.47Å; R341-T345 PolarHBondContact O-N 3.35Å |
| 342 | M | 67.6 | Low | 65.1 | Low | 123 Ų | 123 | 123.3 Ų | 123.3 | 61% | 0.606 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.4 | -37 | 173.4 | -70.3 | -180 | 68.2 | 0 | 0 | 112.6 | I338 L339 T345 | I338-M342 HydrophobicContact CG2-SD 4.37Å; I338-M342 WeakPolarHBondContact O-CG 3.04Å; I338-M342 PolarHBondContact O-N 3.05Å; L339-M342 PolarHBondContact O-N 3.33Å; M342-T345 PolarHBondContact O-OG1 3.02Å |
| 343 | F | 63.7 | Low | 63.4 | Low | 156 Ų | 156 | 123.5 Ų | 123.5 | 68% | 0.684 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73 | -39.7 | 175.5 | -117.9 | -98 | 0 | 0 | 0 | 112.4 | L339 A340 T345 K346 | L339-F343 PolarHBondContact O-N 3.46Å; A340-F343 PolarHBondContact O-N 3.33Å; F343-T345 VanDerWaalsContact C-N 3.28Å; F343-T345 PolarHBondContact O-N 2.91Å; F343-K346 PolarHBondContact O-N 2.02Å |
| 344 | Q | 59 | Low | 61 | Low | 136 Ų | 136 | 131.7 Ų | 131.7 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.3 | -25.5 | 179.1 | -72.7 | -83.5 | -29 | 0 | 0 | 113 | A340 R341 K346 | A340-Q344 VanDerWaalsContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CG 3.38Å; A340-Q344 PolarHBondContact O-N 3.48Å; R341-Q344 PolarHBondContact O-N 2.93Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 PolarHBondContact O-N 3.25Å |
| 345 | T | 55.7 | Low | 58.5 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 69% | 0.693 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -14.7 | 172.1 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | R341 M342 F343 | R341-T345 WeakPolarHBondContact O-CG2 3.47Å; R341-T345 PolarHBondContact O-N 3.35Å; M342-T345 PolarHBondContact O-OG1 3.02Å; F343-T345 VanDerWaalsContact C-N 3.28Å; F343-T345 PolarHBondContact O-N 2.91Å |
| 346 | K | 54.5 | Low | 56.4 | Low | 175 Ų | 175 | 132 Ų | 132 | 76% | 0.761 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -14.7 | -179.5 | -84.5 | -76 | -178.2 | 174.3 | 0 | 115.5 | F343 Q344 | F343-K346 PolarHBondContact O-N 2.02Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 PolarHBondContact O-N 3.25Å |
| 347 | F | 52.6 | Low | 54.7 | Low | 166 Ų | 166 | 133.3 Ų | 133.3 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -115.2 | 15.1 | -177.8 | -91.1 | -84.8 | 0 | 0 | 0 | 114.9 | A349 | F347-A349 PolarHBondContact O-N 3.18Š|
| 348 | K | 45.3 | Very low | 52.2 | Low | 167 Ų | 167 | 141 Ų | 141 | 73% | 0.726 | 71% | 0.713 | S | S | * | * | trans | -82.2 | 46.5 | 177.1 | -155.9 | 76.5 | 176.6 | -174.8 | 0 | 113.3 | ||||
| 349 | A | 47.5 | Very low | 50 | Low | 76 Ų | 76 | 141.5 Ų | 141.5 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -141.6 | 135.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F347 | F347-A349 PolarHBondContact O-N 3.18Š|
| 350 | H | 38.9 | Very low | 47.8 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 89% | 0.889 | 74% | 0.741 | S | S | * | * | trans | 71.6 | 91.7 | -175.2 | -65.3 | -82.5 | 0 | 0 | 0 | 117.9 | ||||
| 351 | F | 33.3 | Very low | 45.9 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -66.1 | 171.9 | 145.3 | -78.3 | -80.7 | 0 | 0 | 0 | 110.4 | ||||
| 352 | P | 44.3 | Very low | 44.4 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | -145.4 | -147.4 | 32.6 | 48.8 | -25.4 | 0 | 0 | 0 | 114.5 | ||||
| 353 | P | 46 | Very low | 42.9 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | -136.5 | 166.9 | -116.9 | 38.2 | -14.9 | 0 | 0 | 0 | 119.7 | |||||
| 354 | R | 34.5 | Very low | 41.9 | Very low | 259 Ų | 259 | 140.1 Ų | 140.1 | 98% | 0.977 | 77% | 0.767 | S | S | * | * | trans | 67.3 | 124.3 | 149.6 | -116.3 | -178 | -178.3 | 105.1 | 0.4 | 121.1 | ||||
| 355 | G | 31.6 | Very low | 41 | Very low | 68 Ų | 68 | 141.2 Ų | 141.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -162.1 | 148.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 356 | P | 41.6 | Very low | 40.8 | Very low | 128 Ų | 128 | 142 Ų | 142 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -85.8 | 169.8 | -169.8 | 36 | -36.7 | 0 | 0 | 0 | 113.9 | ||||
| 357 | P | 46.8 | Very low | 40.8 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -81.1 | 151.8 | -156.2 | 32.7 | -36.3 | 0 | 0 | 0 | 114.3 | ||||
| 358 | R | 31.6 | Very low | 40.8 | Very low | 236 Ų | 236 | 133.7 Ų | 133.7 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | trans | -131.5 | 126.6 | 164.4 | -81.9 | -172.5 | 168.5 | 131.8 | -2.1 | 111.8 | ||||
| 359 | S | 34.6 | Very low | 40.9 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | -16.2 | 131.1 | 153.4 | 51.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 360 | S | 32 | Very low | 41.3 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -149.5 | 107.3 | 143.4 | 53.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 361 | S | 34.2 | Very low | 42.1 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | 58.7 | 92.8 | 63.6 | -156.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 362 | S | 37.2 | Very low | 42.9 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -102.6 | 113.7 | 168.5 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 363 | D | 36.2 | Very low | 43.1 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.9 | 173.3 | -72.1 | -50.5 | 0 | 0 | 0 | 111.3 | ||
| 364 | P | 43.1 | Very low | 43.4 | Very low | 87 Ų | 87 | 123 Ų | 123 | 57% | 0.565 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 152 | 168.3 | 35.2 | -32 | 0 | 0 | 0 | 112.8 | M375 | P364-M375 HydrophobicContact CG-CE 4.23Š|
| 365 | D | 40.7 | Very low | 44.3 | Very low | 158 Ų | 158 | 117.1 Ų | 117.1 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -66 | 152.9 | 179.2 | -69 | -59.4 | 0 | 0 | 0 | 114 | ||
| 366 | F | 51 | Low | 45.3 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 58% | 0.575 | 71% | 0.707 | S | S | * | * | trans | -133.6 | 155.1 | 172.1 | 66.7 | -88.7 | 0 | 0 | 0 | 111.5 | V368 P373 | F366-V368 HydrophobicContact CD2-CG2 3.92Å; F366-V368 HydrophobicContact CE2-CG2 3.88Å; F366-P373 HydrophobicContact CD2-CB 4.34Å | ||
| 367 | V | 53.8 | Low | 45.7 | Very low | 93 Ų | 93 | 119 Ų | 119 | 56% | 0.564 | 70% | 0.699 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.2 | 172 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | V374 | V367-V374 PolarHBondContact O-N 3.44Å |
| 368 | V | 52.7 | Low | 46.2 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 44% | 0.442 | 69% | 0.689 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.5 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 109 | F366 P373 | F366-V368 HydrophobicContact CD2-CG2 3.92Å; F366-V368 HydrophobicContact CE2-CG2 3.88Å; V368-P373 HydrophobicContact CG2-CB 4.29Å |
| 369 | V | 48 | Very low | 47.1 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 66% | 0.655 | 68% | 0.682 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128 | 132.1 | 167.5 | -173.8 | 0 | 0 | 0 | 0 | 107.1 | G371 V372 | V369-G371 VanDerWaalsContact C-N 3.26Å; V369-G371 PolarHBondContact O-N 3.48Å; V369-G371 VanDerWaalsContact O-N 3.15Å; V369-V372 PolarHBondContact O-N 2.83Å |
| 370 | D | 54.5 | Low | 47.9 | Very low | 164 Ų | 164 | 116 Ų | 116 | 88% | 0.877 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.4 | 43.1 | -176.2 | -64.6 | -25.1 | 0 | 0 | 0 | 115.7 | V372 | D370-V372 VanDerWaalsContact C-N 3.35Å; D370-V372 PolarHBondContact O-N 3Å |
| 371 | G | 55.7 | Low | 49 | Very low | 67 Ų | 67 | 118.1 Ų | 118.1 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82 | 1.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V369 | V369-G371 VanDerWaalsContact C-N 3.26Å; V369-G371 PolarHBondContact O-N 3.48Å; V369-G371 VanDerWaalsContact O-N 3.15Å |
| 372 | V | 50.4 | Low | 49.9 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 56% | 0.564 | 67% | 0.671 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.4 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | V369 D370 | V369-V372 PolarHBondContact O-N 2.83Å; D370-V372 VanDerWaalsContact C-N 3.35Å; D370-V372 PolarHBondContact O-N 3Å |
| 373 | P | 48 | Very low | 50.4 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 127.5 | 174 | 30.3 | -32.3 | 0 | 0 | 0 | 110.3 | F366 V368 | F366-P373 HydrophobicContact CD2-CB 4.34Å; V368-P373 HydrophobicContact CG2-CB 4.29Å |
| 374 | V | 53.9 | Low | 51 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.2 | 175.7 | -177 | 0 | 0 | 0 | 0 | 108.7 | V367 | V367-V374 PolarHBondContact O-N 3.44Å |
| 375 | M | 53.8 | Low | 50.8 | Low | 135 Ų | 135 | 114.1 Ų | 114.1 | 67% | 0.665 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 136.7 | 172.9 | -73.2 | -167.3 | 149 | 0 | 0 | 110.3 | P364 | P364-M375 HydrophobicContact CG-CE 4.23Š|
| 376 | L | 51.5 | Low | 50.6 | Low | 136 Ų | 136 | 109.8 Ų | 109.8 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 135 | 174.3 | -66.1 | 171.2 | 0 | 0 | 0 | 109.6 | ||
| 377 | P | 50.5 | Low | 49.9 | Very low | 100 Ų | 100 | 109.1 Ų | 109.1 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 147.1 | 176.4 | 28.6 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 378 | T | 57.9 | Low | 49.1 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 154.3 | 175.1 | 42.8 | 0 | 0 | 0 | 0 | 111.7 | D380 E381 | T378-D380 PolarHBondContact O-N 3.02Å; T378-E381 PolarHBondContact O-N 3.49Å; T378-E381 VanDerWaalsContact O-N 3.15Å |
| 379 | Y | 50.4 | Low | 48.1 | Very low | 193 Ų | 193 | 111.7 Ų | 111.7 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -51 | -31.6 | -171.2 | 179 | -104.7 | 0 | 0 | 0 | 115.4 | E381 | Y379-E381 PolarHBondContact O-N 3.15Š|
| 380 | D | 51 | Low | 47.5 | Very low | 123 Ų | 123 | 115 Ų | 115 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -74 | -21.2 | -176.6 | -66.3 | -60.5 | 0 | 0 | 0 | 114.7 | T378 | T378-D380 PolarHBondContact O-N 3.02Š|
| 381 | E | 54.3 | Low | 46.7 | Very low | 154 Ų | 154 | 110.5 Ų | 110.5 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -82.8 | -12.4 | 177.8 | -72.9 | -169.2 | 141.1 | 0 | 0 | 113.7 | T378 Y379 | T378-E381 PolarHBondContact O-N 3.49Å; T378-E381 VanDerWaalsContact O-N 3.15Å; Y379-E381 PolarHBondContact O-N 3.15Å |
| 382 | A | 52.7 | Low | 45.8 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -86.9 | -6.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 383 | V | 47.8 | Very low | 44.8 | Very low | 105 Ų | 105 | 112.3 Ų | 112.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | -11.8 | -169.2 | 178.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 384 | S | 49.6 | Very low | 44 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -129.7 | 92 | -175.3 | -60.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 385 | G | 39.4 | Very low | 42.9 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -171.1 | 43.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 386 | G | 35.3 | Very low | 41.7 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -83.5 | 144.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 387 | S | 37.8 | Very low | 40.7 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 76.3 | 127.2 | 154 | 38.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 388 | S | 35.3 | Very low | 39.7 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 70.1 | 114.8 | 146.7 | 58 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 389 | A | 32.6 | Very low | 38.4 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | -162.2 | 137.6 | 128.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 390 | L | 34.7 | Very low | 37.4 | Very low | 177 Ų | 177 | 118.3 Ų | 118.3 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | -76.2 | 149.6 | 162.2 | -84.4 | 83.9 | 0 | 0 | 0 | 109.7 | ||||
| 391 | G | 38.8 | Very low | 36.3 | Very low | 71 Ų | 71 | 115.6 Ų | 115.6 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -87.4 | 171.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 392 | P | 37.2 | Very low | 35.2 | Very low | 135 Ų | 135 | 113.7 Ų | 113.7 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -105.9 | 158.4 | 166.2 | 37.4 | -29 | 0 | 0 | 0 | 112.5 | ||||
| 393 | G | 28.3 | Very low | 34.8 | Very low | 62 Ų | 62 | 114.8 Ų | 114.8 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | -118 | -172.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 394 | Y | 30.8 | Very low | 34.2 | Very low | 228 Ų | 228 | 116.7 Ų | 116.7 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | 72.3 | 140.8 | 176.5 | -58.3 | -71 | 0 | 0 | 0 | 115.4 | ||||
| 395 | L | 30.4 | Very low | 33.8 | Very low | 151 Ų | 151 | 116.5 Ų | 116.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -158 | 149.7 | 8.9 | -119 | 164.5 | 0 | 0 | 0 | 110.9 | ||||
| 396 | A | 29.1 | Very low | 33.3 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | 35.2 | 150.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 397 | S | 30.8 | Very low | 33.1 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -169.7 | 178.4 | 14.2 | -137 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 398 | V | 30.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | 72.8 | 124.1 | 170.2 | -160 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 399 | G | 29.7 | Very low | 32.5 | Very low | 58 Ų | 58 | 126.6 Ų | 126.6 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | cis | 148.1 | 126.5 | -10 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 400 | Q | 30.2 | Very low | 32.5 | Very low | 201 Ų | 201 | 127 Ų | 127 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -159.1 | 138.5 | 155 | -149.7 | 80.5 | 19 | 0 | 0 | 107.5 | ||||
| 401 | G | 27.4 | Very low | 33 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | -91.2 | 150.8 | -157.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 402 | C | 31.2 | Very low | 33.1 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 37 | 158.3 | 122.1 | -61.2 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 403 | P | 45 | Very low | 32.8 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | cis | -109.6 | 145.7 | 3.2 | 6.7 | 18.1 | 0 | 0 | 0 | 113.2 | ||||
| 404 | L | 34.5 | Very low | 33 | Very low | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | 63.5 | 148.3 | 74.3 | -62.9 | 175 | 0 | 0 | 0 | 114.8 | |||||
| 405 | P | 40.2 | Very low | 33.7 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | -133.4 | 156.4 | -34.3 | 37.9 | -20.9 | 0 | 0 | 0 | 112.5 | ||||
| 406 | V | 30.7 | Very low | 33.6 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | 49.3 | 121.1 | 97.8 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 407 | D | 30.7 | Very low | 33.9 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | -143.2 | 159.4 | 53.7 | -151 | 8.5 | 0 | 0 | 0 | 117.5 | |||||
| 408 | D | 30.7 | Very low | 34 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -95.2 | 137.7 | -176.4 | -166.2 | 0.8 | 0 | 0 | 0 | 110.5 | ||||
| 409 | Q | 29.3 | Very low | 34.1 | Very low | 189 Ų | 189 | 125.4 Ų | 125.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -113.5 | 134.4 | 169.8 | -85.1 | -171.9 | 51.5 | 0 | 0 | 109.5 | ||||
| 410 | S | 33.7 | Very low | 34.4 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -157 | 144.3 | 162.3 | -82.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 411 | P | 43.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -128.2 | 179.7 | -21.4 | 37.8 | -19.7 | 0 | 0 | 0 | 111.9 | ||||
| 412 | P | 41.1 | Very low | 34.8 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -95.2 | 160.7 | -155.2 | 36.6 | -36.6 | 0 | 0 | 0 | 116.4 | ||||
| 413 | A | 30.4 | Very low | 34.8 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -106.2 | 149.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 414 | Y | 32.7 | Very low | 34.7 | Very low | 226 Ų | 226 | 127.8 Ų | 127.8 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | trans | -83.2 | 164.2 | -177.9 | -106.8 | -111.5 | 0 | 0 | 0 | 112.9 | ||||
| 415 | P | 45.9 | Very low | 34.5 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -97.8 | 162.1 | -147.8 | 37.7 | -37.3 | 0 | 0 | 0 | 116.1 | ||||
| 416 | G | 28.4 | Very low | 34 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -138.9 | 143.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 417 | S | 36.2 | Very low | 34 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -87.4 | 155.2 | -165.6 | 52.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 418 | G | 31.9 | Very low | 33.9 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 157.4 | 114.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 419 | D | 32.6 | Very low | 33.9 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -82.5 | 153.8 | -177.9 | -64.2 | -73.4 | 0 | 0 | 0 | 114.6 | ||||
| 420 | T | 35.7 | Very low | 33.8 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | 49.6 | 138.5 | 149.3 | 52.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 421 | D | 31.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | cis | -163.7 | 151.6 | 45.9 | -147.4 | -13.5 | 0 | 0 | 0 | 114.8 | ||||
| 422 | T | 34.2 | Very low | 32.9 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | 26.4 | 130.4 | 150.3 | -60 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 423 | G | 31.1 | Very low | 32.3 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 134.8 | 119.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 424 | P | 43.6 | Very low | 32.3 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -99.7 | 155.2 | -175.7 | 38 | -34 | 0 | 0 | 0 | 114.6 | ||||
| 425 | G | 29.6 | Very low | 32 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -172.2 | 88.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 426 | E | 30.5 | Very low | 31.3 | Very low | 204 Ų | 204 | 121.2 Ų | 121.2 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | trans | 63.5 | 160.1 | 144.2 | -59.2 | -175 | 152.9 | 0 | 0 | 121.6 | ||||
| 427 | S | 29.7 | Very low | 31.5 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -93.6 | 154.6 | -169.9 | 49.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 428 | E | 30 | Very low | 31.3 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | -176.6 | 138 | 107.2 | -99 | -175.6 | 173.6 | 0 | 0 | 114.9 | |||||
| 429 | T | 29 | Very low | 31.3 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | 54 | 122.9 | 137.3 | -40.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 430 | C | 27.9 | Very low | 31.2 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -62.2 | 155.5 | 167.5 | -47.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 431 | D | 28.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | -141.9 | 144.5 | 129.7 | -136 | -20.5 | 0 | 0 | 0 | 112.2 | |||||
| 432 | S | 30.9 | Very low | 30.8 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -111.8 | 131.4 | -177 | -65.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 433 | T | 28.8 | Very low | 30.5 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -139.3 | 109.9 | 158.7 | 12.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 434 | S | 29.8 | Very low | 30.4 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -79.8 | 148.5 | 166.3 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 435 | G | 27 | Very low | 29.6 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -156.8 | 82.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 436 | S | 30.4 | Very low | 29.8 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -61 | 164.2 | 159.9 | -36.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 437 | S | 31.8 | Very low | 30.5 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | cis | -172.7 | 169.6 | 16.8 | -139.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 438 | E | 33.2 | Very low | 30.5 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 66.4 | 117.8 | 150.9 | -53.7 | -87 | 123.2 | 0 | 0 | 119 | ||||
| 439 | L | 31.8 | Very low | 30.4 | Very low | 128 Ų | 128 | 130 Ų | 130 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | 82.6 | 106.2 | 72.8 | -109.5 | 162.9 | 0 | 0 | 0 | 116 | |||||
| 440 | L | 29.2 | Very low | 30.4 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | 179.6 | 166.1 | 121.7 | -103 | 160.8 | 0 | 0 | 0 | 114.6 | |||||
| 441 | Q | 31.3 | Very low | 30.4 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -113.6 | 162.8 | -157 | -146.1 | 95.8 | 4.3 | 0 | 0 | 114.4 | ||||
| 442 | S | 29.3 | Very low | 30.4 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 74.8 | 150.8 | 157.5 | 78.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 443 | L | 27.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 67% | 0.665 | 79% | 0.79 | S | S | * | * | cis | -144.7 | 150.7 | 21.8 | -69.9 | 155.3 | 0 | 0 | 0 | 111.5 | ||||
| 444 | Y | 28.3 | Very low | 30.4 | Very low | 215 Ų | 215 | 132.6 Ų | 132.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | 161.9 | 151.9 | 112.5 | -92.5 | -69.5 | 0 | 0 | 0 | 113.8 | |||||
| 445 | S | 27.1 | Very low | 31.3 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -98.2 | 159.6 | -163.8 | -48.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 446 | A | 34 | Very low | 31.5 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -69.9 | 177.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 447 | P | 44.3 | Very low | 33 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | -145.6 | 163.8 | 98 | 37.8 | -22.5 | 0 | 0 | 0 | 116.7 | |||||
| 448 | M | 30.2 | Very low | 32.8 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -87.7 | 164.3 | 165 | -58.4 | 173.5 | 77.7 | 0 | 0 | 111.6 | ||||
| 449 | C | 27.4 | Very low | 33 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | 171.8 | 137.4 | 117.7 | -95.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 450 | Q | 30.3 | Very low | 34 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | 60.8 | 156.4 | 146.5 | -61.1 | 170.9 | -13.2 | 0 | 0 | 119 | ||||
| 451 | G | 28.1 | Very low | 34 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | cis | 141.5 | 139 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 452 | G | 27.9 | Very low | 34 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | -177.4 | -136.5 | 3.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 453 | N | 27.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | trans | 96.8 | 130.7 | 167.4 | -62.6 | -1.5 | 0 | 0 | 0 | 121.4 | ||||
| 454 | H | 32.3 | Very low | 34.3 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -95.8 | 174.9 | 168 | -87.6 | -60.2 | 0 | 0 | 0 | 110.3 | ||||
| 455 | P | 47.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | cis | -145.2 | -173.3 | 35.1 | 40.7 | -17.3 | 0 | 0 | 0 | 118.5 | ||||
| 456 | A | 33 | Very low | 34.8 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -95.8 | -162.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 457 | P | 61.3 | Low | 34.8 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | cis | -131.4 | -177.7 | -14.6 | 40.8 | -23.3 | 0 | 0 | 0 | 113.9 | ||||
| 458 | D | 28.3 | Very low | 34.2 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | 175.4 | 176.7 | 128.2 | -94.5 | -18.4 | 0 | 0 | 0 | 113.1 | |||||
| 459 | T | 35.8 | Very low | 34.5 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -115.2 | -152.5 | -143.3 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 460 | P | 53.6 | Low | 34.8 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | -111.5 | 170.3 | -127.1 | 38.8 | -21.4 | 0 | 0 | 0 | 114.5 | |||||
| 461 | E | 29.2 | Very low | 34.9 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -157.1 | 160.9 | 149.6 | -124.7 | 167.3 | -143.3 | 0 | 0 | 114.2 | ||||
| 462 | T | 31.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -122.1 | 140.3 | -176.9 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 463 | I | 31.6 | Very low | 35.4 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -174.2 | 157.8 | 147.5 | -97.4 | 148.6 | 0 | 0 | 0 | 109.7 | ||||
| 464 | A | 32 | Very low | 35.7 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -108.5 | 170.4 | -162 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 465 | S | 32.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | 70 | 148.7 | 167.4 | 76.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 466 | T | 32.1 | Very low | 35.8 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | cis | -135.2 | 178.8 | 20.9 | 44.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 467 | A | 34.5 | Very low | 36.4 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -79.7 | 160.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 468 | E | 32.1 | Very low | 35 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -156.6 | 152.5 | 137.4 | -119.2 | 173.3 | -168.2 | 0 | 0 | 110.9 | ||||
| 469 | E | 36.2 | Very low | 35.7 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -92.9 | 142.8 | -173.1 | -57.4 | -174.7 | 142.5 | 0 | 0 | 113.2 | ||||
| 470 | V | 34.1 | Very low | 35.9 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -143.1 | 147.2 | 151.2 | -174.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 471 | A | 32.8 | Very low | 35.4 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -81.1 | 168.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 472 | S | 32.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -77.8 | 152 | 179.3 | 175.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 473 | S | 34.4 | Very low | 36.3 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -153.6 | 124.6 | 144.3 | 65.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 474 | S | 33.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -148 | 134.1 | 161.5 | -73.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 475 | P | 48.2 | Very low | 37 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | trans | -86.7 | 123.3 | -171.7 | 32.4 | -32.5 | 0 | 0 | 0 | 112 | ||||
| 476 | G | 33.5 | Very low | 37.5 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -94.3 | 137.5 | 157 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 477 | I | 44.4 | Very low | 38 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | trans | -108 | 129.9 | 172.3 | -75 | 168.3 | 0 | 0 | 0 | 107.8 | I479 | I477-I479 HydrophobicContact CG2-CD1 4.5Å; I477-I479 HydrophobicContact CG2-CG1 4.27Å | ||
| 478 | D | 32.3 | Very low | 38.6 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | trans | -114.9 | 128.7 | 179.1 | -175.9 | 14.4 | 0 | 0 | 0 | 108.3 | ||||
| 479 | I | 43.8 | Very low | 39.3 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -145.7 | 106.6 | 169.9 | -56.8 | -179 | 0 | 0 | 0 | 107 | I477 | I477-I479 HydrophobicContact CG2-CD1 4.5Å; I477-I479 HydrophobicContact CG2-CG1 4.27Å | ||
| 480 | A | 38.8 | Very low | 40.3 | Very low | 73 Ų | 73 | 144 Ų | 144 | 60% | 0.603 | 84% | 0.841 | S | S | * | * | trans | -89.4 | 147.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 481 | D | 42.7 | Very low | 40.7 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | trans | -173.6 | 117.2 | 132.9 | -94 | -18.4 | 0 | 0 | 0 | 112.1 | ||||
| 482 | E | 37.8 | Very low | 41.1 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | trans | 45.6 | 163.6 | 146 | -57.2 | -148.7 | 137.4 | 0 | 0 | 124.9 | ||||
| 483 | I | 43.3 | Very low | 41.6 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 69% | 0.692 | 84% | 0.839 | S | S | * | * | trans | -121.3 | 166.7 | -160.7 | -52.6 | 158.8 | 0 | 0 | 0 | 108.5 | L485 | I483-L485 HydrophobicContact CG2-CG 4.2Š| ||
| 484 | P | 40.2 | Very low | 42 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | -135.4 | 134.6 | 122.6 | 21.9 | -4 | 0 | 0 | 0 | 114 | |||||
| 485 | L | 37.2 | Very low | 42.5 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 82% | 0.817 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 143.6 | 166.6 | -69.5 | 160.9 | 0 | 0 | 0 | 108.2 | I483 | I483-L485 HydrophobicContact CG2-CG 4.2Š|
| 486 | M | 43.8 | Very low | 42.1 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 93% | 0.931 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 135.5 | 168.5 | -64.6 | -152.9 | -49.6 | 0 | 0 | 110.5 | ||
| 487 | E | 41.3 | Very low | 42.7 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 91% | 0.911 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 135.7 | 170.4 | -64.3 | 168 | 130.7 | 0 | 0 | 109.7 | ||
| 488 | E | 47 | Very low | 42.6 | Very low | 198 Ų | 198 | 158.9 Ų | 158.9 | 93% | 0.925 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 131.9 | 161.4 | -78.6 | -171.8 | 118.1 | 0 | 0 | 108.8 | ||
| 489 | D | 46.8 | Very low | 43.5 | Very low | 155 Ų | 155 | 159.7 Ų | 159.7 | 83% | 0.829 | 86% | 0.856 | S | S | * | * | trans | -161.1 | 145.3 | 176.3 | -123.7 | -9.4 | 0 | 0 | 0 | 107.6 | ||||
| 490 | P | 58.9 | Low | 43.4 | Very low | 191 Ų | 191 | 160.4 Ų | 160.4 | 100% | 1.24 | 86% | 0.863 | S | S | * | * | cis | -123.1 | 0 | -29.6 | 39.2 | -26.5 | 0 | 0 | 0 | 114.3 |
Retrieved 490 of 490 residues in 67 ms
(Link to these results)