| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 38.7 | Very low | 222 Ų | 222 | 156.1 Ų | 156.1 | 100% | 1.094 | 79% | 0.792 | S | S | * | * | 0 | 117.1 | 0 | -79.2 | 163.7 | 169.7 | 0 | 0 | 106.4 | |||||
| 2 | M | 38.3 | Very low | 38.1 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | 68.5 | 136 | 83.4 | -67.7 | 166.3 | 124.4 | 0 | 0 | 111.8 | |||||
| 3 | M | 36.2 | Very low | 37.6 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 73% | 0.729 | 80% | 0.804 | S | S | * | * | cis | -155.1 | 138.8 | -11 | -106.4 | 161.4 | 164.3 | 0 | 0 | 104.6 | ||||
| 4 | M | 39.5 | Very low | 37.2 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | 61 | 82.8 | 66.9 | -154.6 | 176.7 | -170.5 | 0 | 0 | 113.6 | |||||
| 5 | M | 49.2 | Very low | 36.9 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -122 | 115.2 | 140.4 | -66.7 | -177.9 | 178 | 0 | 0 | 104.5 | ||||
| 6 | M | 40 | Very low | 36.5 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | 54.5 | 104.7 | 82.5 | -77.5 | -175 | 161.9 | 0 | 0 | 110.8 | |||||
| 7 | A | 38.6 | Very low | 36.2 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | 97.1 | 142.8 | 78.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 8 | E | 36 | Very low | 36.6 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | cis | -164.3 | 155.4 | -2 | -117.4 | -175.9 | 110.2 | 0 | 0 | 108.4 | ||||
| 9 | L | 36.8 | Very low | 36.8 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 72% | 0.723 | 81% | 0.811 | S | S | * | * | trans | 61.8 | 161.5 | 151.8 | -90.1 | 52.4 | 0 | 0 | 0 | 118.3 | ||||
| 10 | I | 35.7 | Very low | 36.7 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 67% | 0.672 | 81% | 0.809 | S | S | * | * | cis | -142.4 | 176.3 | -4.3 | -147.7 | 156.9 | 0 | 0 | 0 | 113.1 | ||||
| 11 | Q | 34.4 | Very low | 37.2 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -56.2 | 163.6 | -175.1 | -56.9 | 146.8 | -58.9 | 0 | 0 | 117.5 | ||||
| 12 | G | 32.3 | Very low | 37.7 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -176.7 | 63.4 | 167 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 13 | Q | 31.5 | Very low | 38.3 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 133.1 | 174.6 | -80.7 | -172 | -21.1 | 0 | 0 | 112.6 | ||||
| 14 | A | 31.2 | Very low | 39.1 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -154.6 | 111 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | S | 32.4 | Very low | 39.6 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -93.1 | 149.9 | 173.7 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 16 | V | 31.7 | Very low | 40 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | -172.2 | 137.5 | 139.1 | 134.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 17 | A | 30.7 | Very low | 40.8 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | 36.1 | 128.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 18 | Q | 43.7 | Very low | 41.5 | Very low | 189 Ų | 189 | 125.7 Ų | 125.7 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | -72.2 | 153.4 | 143.6 | -66 | 176.7 | -32.6 | 0 | 0 | 110.7 | ||||
| 19 | P | 41 | Very low | 42.5 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -118.8 | 165.3 | 132.6 | 35.5 | -29.8 | 0 | 0 | 0 | 110.7 | ||||
| 20 | G | 34.7 | Very low | 43.3 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | cis | 130.7 | 98.2 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 21 | T | 46.1 | Very low | 44.1 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -47.1 | 140.8 | -170.6 | 47.2 | 0 | 0 | 0 | 0 | 117.6 | D23 | T21-D23 VanDerWaalsContact C-N 3.34Å; T21-D23 PolarHBondContact O-N 3.47Å |
| 22 | K | 51.3 | Low | 44.9 | Very low | 195 Ų | 195 | 121.4 Ų | 121.4 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 62 | -31.8 | 147.8 | -81.6 | -175.4 | 172 | 179.2 | 0 | 121.7 | ||
| 23 | D | 52.2 | Low | 45.6 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -26.1 | -166.6 | -74 | -73.4 | 0 | 0 | 0 | 115.3 | T21 F25 A26 | T21-D23 VanDerWaalsContact C-N 3.34Å; T21-D23 PolarHBondContact O-N 3.47Å; D23-F25 VanDerWaalsContact C-N 3.26Å; D23-F25 PolarHBondContact O-N 2.88Å; D23-A26 WeakPolarHBondContact O-CB 3.25Å; D23-A26 PolarHBondContact O-N 3.24Å |
| 24 | D | 52.1 | Low | 46.3 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -59.1 | -32.8 | -177.2 | -163.2 | -100.1 | 0 | 0 | 0 | 113.9 | A26 D27 T28 | D24-A26 VanDerWaalsContact C-N 3.3Å; D24-A26 PolarHBondContact O-N 3.26Å; D24-D27 PolarHBondContact O-N 3.11Å; D24-T28 PolarHBondContact O-N 3.09Å; D24-T28 PolarHBondContact O-OG1 2.85Å |
| 25 | F | 50.2 | Low | 46.9 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.2 | -31.3 | 177.3 | -170 | -105.8 | 0 | 0 | 0 | 112.7 | D23 I29 | D23-F25 VanDerWaalsContact C-N 3.26Å; D23-F25 PolarHBondContact O-N 2.88Å; F25-I29 HydrophobicContact CD1-CD1 3.93Å; F25-I29 HydrophobicContact CE1-CD1 3.44Å; F25-I29 VanDerWaalsContact CE1-CD1 3.44Å; F25-I29 HydrophobicContact CZ-CD1 3.86Å; F25-I29 PolarHBondContact O-N 2.76Å |
| 26 | A | 57.1 | Low | 47.2 | Very low | 44 Ų | 44 | 125.6 Ų | 125.6 | 36% | 0.364 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -72.3 | -37.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D23 D24 I29 R30 | D23-A26 WeakPolarHBondContact O-CB 3.25Å; D23-A26 PolarHBondContact O-N 3.24Å; D24-A26 VanDerWaalsContact C-N 3.3Å; D24-A26 PolarHBondContact O-N 3.26Å; A26-I29 PolarHBondContact O-N 2.84Å; A26-R30 WeakPolarHBondContact O-CG 3.13Å; A26-R30 PolarHBondContact O-N 2.88Å; A26-R30 VanDerWaalsContact O-N 3.16Å |
| 27 | D | 56.8 | Low | 47.7 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 40% | 0.401 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -77.5 | -32.8 | -179.4 | -131.6 | -106.4 | 0 | 0 | 0 | 112.4 | D24 I29 R30 R31 | D24-D27 PolarHBondContact O-N 3.11Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 3.4Å; D27-R30 WeakPolarHBondContact O-CB 3.32Å; D27-R30 PolarHBondContact O-N 3.14Å; D27-R30 WeakPolarHBondContact OD2-CD 3.28Å; D27-R30 IonicContact OD2-CZ 3.75Å; D27-R30 IonicContact OD2-NH1 2.68Å; D27-R30 PolarHBondContact OD2-NH1 3Å; D27-R31 PolarHBondContact O-N 3.24Å |
| 28 | T | 54.1 | Low | 48.3 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 45% | 0.448 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -56.5 | -46.8 | 167.8 | -62 | 0 | 0 | 0 | 0 | 111.6 | D24 R30 R31 V32 | D24-T28 PolarHBondContact O-N 3.09Å; D24-T28 PolarHBondContact O-OG1 2.85Å; T28-R30 VanDerWaalsContact C-N 3.34Å; T28-R30 PolarHBondContact O-N 3.19Å; T28-R31 PolarHBondContact O-N 3.03Å; T28-V32 WeakPolarHBondContact O-CG2 3.41Å; T28-V32 PolarHBondContact O-N 3.5Å; T28-V32 VanDerWaalsContact O-N 3.09Å |
| 29 | I | 56.7 | Low | 48 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 43% | 0.426 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -65.8 | -33.3 | 177.1 | -73.9 | 179.3 | 0 | 0 | 0 | 112.5 | F25 A26 D27 R33 | F25-I29 HydrophobicContact CD1-CD1 3.93Å; F25-I29 HydrophobicContact CE1-CD1 3.44Å; F25-I29 VanDerWaalsContact CE1-CD1 3.44Å; F25-I29 HydrophobicContact CZ-CD1 3.86Å; F25-I29 PolarHBondContact O-N 2.76Å; A26-I29 PolarHBondContact O-N 2.84Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 3.4Å; I29-R33 PolarHBondContact O-N 3.39Å |
| 30 | R | 52.7 | Low | 47.5 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.9 | -44.1 | 173.2 | -72.7 | 171.8 | -179.4 | 152.3 | -1.3 | 112 | A26 D27 T28 R33 Q34 | A26-R30 WeakPolarHBondContact O-CG 3.13Å; A26-R30 PolarHBondContact O-N 2.88Å; A26-R30 VanDerWaalsContact O-N 3.16Å; D27-R30 WeakPolarHBondContact O-CB 3.32Å; D27-R30 PolarHBondContact O-N 3.14Å; D27-R30 WeakPolarHBondContact OD2-CD 3.28Å; D27-R30 IonicContact OD2-CZ 3.75Å; D27-R30 IonicContact OD2-NH1 2.68Å; D27-R30 PolarHBondContact OD2-NH1 3Å; T28-R30 VanDerWaalsContact C-N 3.34Å; T28-R30 PolarHBondContact O-N 3.19Å; R30-R33 PolarHBondContact O-N 3.42Å; R30-Q34 PolarHBondContact O-N 3.26Å |
| 31 | R | 53.4 | Low | 47.3 | Very low | 175 Ų | 175 | 125.2 Ų | 125.2 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -62.3 | -43.7 | 176.1 | -75.3 | -177.7 | 173.5 | 171.6 | -0.4 | 112.3 | D27 T28 R33 Q34 M35 | D27-R31 PolarHBondContact O-N 3.24Å; T28-R31 PolarHBondContact O-N 3.03Å; R31-R33 PolarHBondContact O-N 3.14Å; R31-Q34 PolarHBondContact O-N 2.94Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; R31-M35 PolarHBondContact O-N 3.15Å |
| 32 | V | 51.1 | Low | 46.7 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 58% | 0.576 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.2 | -41.3 | 176.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | T28 Q34 M35 A36 | T28-V32 WeakPolarHBondContact O-CG2 3.41Å; T28-V32 PolarHBondContact O-N 3.5Å; T28-V32 VanDerWaalsContact O-N 3.09Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 2.84Å; V32-M35 PolarHBondContact O-N 3.1Å; V32-A36 PolarHBondContact O-N 2.98Å; V32-A36 VanDerWaalsContact O-N 3.14Å |
| 33 | R | 46.4 | Very low | 45.6 | Very low | 194 Ų | 194 | 125 Ų | 125 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -61.6 | -36.1 | 172.7 | -94.1 | -174.6 | 171.3 | 174.5 | -1.1 | 113.5 | I29 R30 R31 M35 A36 A37 | I29-R33 PolarHBondContact O-N 3.39Å; R30-R33 PolarHBondContact O-N 3.42Å; R31-R33 PolarHBondContact O-N 3.14Å; R33-M35 VanDerWaalsContact C-N 3.34Å; R33-A36 PolarHBondContact O-N 3.34Å; R33-A37 WeakPolarHBondContact O-CB 3.46Å; R33-A37 PolarHBondContact O-N 3.46Å; R33-A37 VanDerWaalsContact O-N 3.15Å |
| 34 | Q | 47.3 | Very low | 44.7 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 71% | 0.71 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.5 | -30 | 176.7 | -98.6 | -175.9 | -14.9 | 0 | 0 | 113.6 | R30 R31 V32 | R30-Q34 PolarHBondContact O-N 3.26Å; R31-Q34 PolarHBondContact O-N 2.94Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 2.84Å |
| 35 | M | 43.4 | Very low | 44.2 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 76% | 0.764 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -72.6 | -42.8 | 172.6 | -66.8 | -173.9 | 177.8 | 0 | 0 | 111.6 | R31 V32 R33 A37 K38 | R31-M35 PolarHBondContact O-N 3.15Å; V32-M35 PolarHBondContact O-N 3.1Å; R33-M35 VanDerWaalsContact C-N 3.34Å; M35-A37 PolarHBondContact O-N 3.43Å; M35-K38 PolarHBondContact O-N 3.19Å |
| 36 | A | 39.3 | Very low | 43.3 | Very low | 83 Ų | 83 | 125.9 Ų | 125.9 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.5 | -25.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V32 R33 K38 | V32-A36 PolarHBondContact O-N 2.98Å; V32-A36 VanDerWaalsContact O-N 3.14Å; R33-A36 PolarHBondContact O-N 3.34Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 PolarHBondContact O-N 3.04Å |
| 37 | A | 41 | Very low | 42 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 72% | 0.719 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 1.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | R33 M35 | R33-A37 WeakPolarHBondContact O-CB 3.46Å; R33-A37 PolarHBondContact O-N 3.46Å; R33-A37 VanDerWaalsContact O-N 3.15Å; M35-A37 PolarHBondContact O-N 3.43Å |
| 38 | K | 43.1 | Very low | 40.7 | Very low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 12.9 | -169.1 | -144.6 | -178.6 | 178.6 | -176.9 | 0 | 116 | M35 A36 | M35-K38 PolarHBondContact O-N 3.19Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 PolarHBondContact O-N 3.04Å |
| 39 | M | 37.1 | Very low | 39.7 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | trans | -135.2 | 90.7 | 167.6 | -65 | -168.8 | -159.1 | 0 | 0 | 110.4 | ||||
| 40 | G | 30.2 | Very low | 38.5 | Very low | 82 Ų | 82 | 138 Ų | 138 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -152.6 | 133.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 41 | G | 31.8 | Very low | 37.5 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | 107.8 | 127.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 42 | D | 32.3 | Very low | 36.8 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | cis | -146.9 | 155.6 | 25.9 | -114.9 | -68.5 | 0 | 0 | 0 | 115.1 | ||||
| 43 | Q | 29.7 | Very low | 36 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 55.1 | 118.3 | 154.1 | -74.6 | 159.3 | 75.3 | 0 | 0 | 122.6 | ||||
| 44 | M | 32.9 | Very low | 35.4 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -73.4 | 168.7 | 146.8 | -68.3 | 179.8 | 165.7 | 0 | 0 | 110.8 | ||||
| 45 | P | 42.2 | Very low | 34.6 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -127.7 | 147 | 106.2 | 36.3 | -32.5 | 0 | 0 | 0 | 115.1 | |||||
| 46 | N | 30.5 | Very low | 34.6 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -73.1 | 137.4 | 170.5 | 163.9 | 29.2 | 0 | 0 | 0 | 111.3 | ||||
| 47 | M | 30.3 | Very low | 34.3 | Very low | 191 Ų | 191 | 131 Ų | 131 | 94% | 0.941 | 78% | 0.777 | S | S | * | * | trans | -141.4 | 160.9 | 150.5 | -83.1 | -143.2 | 171.2 | 0 | 0 | 112.8 | ||||
| 48 | N | 29.7 | Very low | 34 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -124 | 160.6 | -158.4 | 175.5 | 22.1 | 0 | 0 | 0 | 110.9 | ||||
| 49 | S | 31.8 | Very low | 33.8 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 59% | 0.587 | 78% | 0.784 | S | S | * | * | trans | 74.4 | 115.6 | 157.5 | -67 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 50 | S | 32.7 | Very low | 33.6 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | 81 | 148.6 | 120.8 | -56.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 51 | C | 30.8 | Very low | 33.8 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 155.7 | 177.7 | -41.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 52 | P | 39.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 127.4 | 152.8 | 33.4 | -27.4 | 0 | 0 | 0 | 110.9 | ||
| 53 | V | 33.4 | Very low | 34 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 132.3 | 157.7 | 172.1 | 0 | 0 | 0 | 0 | 107.4 | ||
| 54 | I | 35.3 | Very low | 34.1 | Very low | 164 Ų | 164 | 135 Ų | 135 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -133.4 | 127.3 | 160.8 | -55.4 | -179.6 | 0 | 0 | 0 | 106.5 | ||||
| 55 | D | 29.9 | Very low | 34.3 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -118.9 | -149.1 | -172.8 | -165.9 | 22.1 | 0 | 0 | 0 | 109.9 | ||||
| 56 | P | 43.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | -106.5 | 178.8 | -116.2 | 33.5 | -19.4 | 0 | 0 | 0 | 115.6 | |||||
| 57 | S | 33.4 | Very low | 34.1 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 97.5 | 93.4 | 152.5 | -43.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 58 | L | 33.5 | Very low | 34.5 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -153.3 | 80.8 | 150.8 | -153.5 | 65.1 | 0 | 0 | 0 | 114.2 | ||||
| 59 | Y | 39 | Very low | 34.8 | Very low | 219 Ų | 219 | 138.5 Ų | 138.5 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 63.1 | 150.1 | 166.9 | -64.1 | -104 | 0 | 0 | 0 | 117.8 | ||||
| 60 | G | 33.7 | Very low | 35 | Very low | 58 Ų | 58 | 141.3 Ų | 141.3 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | cis | 133.3 | 125 | -6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 61 | F | 33.7 | Very low | 35.1 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 98% | 0.978 | 79% | 0.787 | S | S | * | * | trans | 68.4 | 147.5 | -168.4 | -69.9 | -99.2 | 0 | 0 | 0 | 115.2 | ||||
| 62 | G | 32 | Very low | 35.4 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | cis | 173.6 | 126.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | G | 36.3 | Very low | 35.3 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -103.1 | 134.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 64 | Q | 32.4 | Very low | 35.8 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -149.6 | 134.4 | 161.6 | -155.6 | 154.3 | -81.6 | 0 | 0 | 114.7 | ||||
| 65 | K | 37.3 | Very low | 36.1 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -39.9 | 134.7 | -179.4 | -54.9 | 166.4 | 175.7 | 176 | 0 | 116.6 | ||||
| 66 | R | 31.9 | Very low | 36.6 | Very low | 247 Ų | 247 | 140.8 Ų | 140.8 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | -173.3 | -179.5 | 94.7 | -116.7 | 175.1 | -70.1 | -164.4 | 2.2 | 113.9 | |||||
| 67 | S | 36.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -98.8 | 168.5 | -178.5 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 68 | L | 38.3 | Very low | 36.9 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 119.2 | 105.8 | 150.4 | -162.2 | 69.7 | 0 | 0 | 0 | 117.6 | ||||
| 69 | D | 36.8 | Very low | 37.5 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 65.4 | 156.5 | 140 | -157.8 | -147.8 | 0 | 0 | 0 | 122.7 | ||||
| 70 | N | 35.8 | Very low | 38 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 57.2 | 120.6 | 175.9 | -63.5 | -66.6 | 0 | 0 | 0 | 116.8 | ||||
| 71 | G | 35.6 | Very low | 38.6 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | cis | 120.7 | 148.9 | 37 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 72 | V | 36.8 | Very low | 39.3 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | trans | 67.9 | 119.4 | 178.2 | -167.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 73 | G | 36.6 | Very low | 40.4 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 167.8 | -11.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 74 | N | 44.7 | Very low | 41.8 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -107 | 82.1 | -166.5 | -154.6 | 23.8 | 0 | 0 | 0 | 113.6 | ||||
| 75 | H | 40.5 | Very low | 44.1 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -150.6 | 29.9 | 175.6 | 62.4 | -98.4 | 0 | 0 | 0 | 115.9 | ||
| 76 | L | 41.2 | Very low | 46.5 | Very low | 162 Ų | 162 | 134 Ų | 134 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -143.4 | 19.2 | -179.3 | -118.4 | 153.7 | 0 | 0 | 0 | 116 | ||
| 77 | G | 39.9 | Very low | 49.3 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -94.6 | -3.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L79 | G77-L79 PolarHBondContact O-N 3.2Š| ||
| 78 | A | 42.8 | Very low | 51.9 | Low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -0.6 | -160.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 79 | L | 45.8 | Very low | 54.3 | Low | 167 Ų | 167 | 122 Ų | 122 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 26.1 | -171.9 | -73.1 | 175.4 | 0 | 0 | 0 | 114.7 | G77 | G77-L79 PolarHBondContact O-N 3.2Š|
| 80 | V | 48.5 | Very low | 56.8 | Low | 106 Ų | 106 | 117.8 Ų | 117.8 | 64% | 0.642 | 67% | 0.665 | S | S | * | * | trans | -112.3 | 72.6 | 168.2 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | Q82 | V80-Q82 HydrophobicContact CG1-CB 4Å; V80-Q82 HydrophobicContact CG1-CG 3.72Å; V80-Q82 PolarHBondContact O-N 3.09Å | ||
| 81 | H | 46.8 | Very low | 59.3 | Low | 185 Ų | 185 | 117.8 Ų | 117.8 | 86% | 0.856 | 66% | 0.658 | S | S | * | * | trans | -72.5 | 56.4 | 159 | -84.2 | 90.4 | 0 | 0 | 0 | 110 | ||||
| 82 | Q | 47.7 | Very low | 61.8 | Low | 154 Ų | 154 | 114.8 Ų | 114.8 | 72% | 0.72 | 63% | 0.627 | S | S | * | * | trans | -57.9 | 149.1 | 155.3 | -91.9 | -177.7 | -33 | 0 | 0 | 108 | V80 A84 | V80-Q82 HydrophobicContact CG1-CB 4Å; V80-Q82 HydrophobicContact CG1-CG 3.72Å; V80-Q82 PolarHBondContact O-N 3.09Å; Q82-A84 PolarHBondContact O-N 3.14Å | ||
| 83 | R | 56.5 | Low | 64.1 | Low | 226 Ų | 226 | 109.3 Ų | 109.3 | 85% | 0.853 | 60% | 0.595 | S | S | * | * | trans | -72.5 | 70.4 | 170.6 | -64.2 | 174.1 | -179 | 158.1 | -1.9 | 108.8 | F85 | R83-F85 HydrophobicContact CB-CE2 4.11Å; R83-F85 VanDerWaalsContact O-CD2 3.25Å; R83-F85 WeakPolarHBondContact O-CD2 3.36Å; R83-F85 PolarHBondContact O-N 3.27Å | ||
| 84 | A | 66.1 | Low | 66.2 | Low | 61 Ų | 61 | 109 Ų | 109 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | trans | -66.8 | 99.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q82 T86 | Q82-A84 PolarHBondContact O-N 3.14Å; A84-T86 PolarHBondContact O-N 3.04Å; A84-T86 VanDerWaalsContact O-N 3.11Å | ||
| 85 | F | 79.8 | Confident | 67.7 | Low | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | trans | -73.5 | 97.6 | 168 | -74.5 | -87.3 | 0 | 0 | 0 | 107.4 | R83 G137 | R83-F85 HydrophobicContact CB-CE2 4.11Å; R83-F85 VanDerWaalsContact O-CD2 3.25Å; R83-F85 WeakPolarHBondContact O-CD2 3.36Å; R83-F85 PolarHBondContact O-N 3.27Å; F85-G137 CarbonylContact C-O 3.53Å; F85-G137 WeakPolarHBondContact CA-O 3.27Å | ||
| 86 | T | 88.3 | Confident | 69.6 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 34% | 0.344 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 155 | 172.9 | -51.2 | 0 | 0 | 0 | 0 | 108.3 | A84 E88 T136 G137 I142 | A84-T86 PolarHBondContact O-N 3.04Å; A84-T86 VanDerWaalsContact O-N 3.11Å; T86-E88 HydrophobicContact CG2-CG 4.02Å; T86-T136 WeakPolarHBondContact O-CA 3.35Å; T86-G137 PolarHBondContact N-O 3.21Å; T86-G137 PolarHBondContact O-N 3.42Å; T86-G137 VanDerWaalsContact O-N 3.15Å; T86-I142 WeakPolarHBondContact O-CD1 3.29Å |
| 87 | T | 90.4 | Very high | 71.6 | Confident | 81 Ų | 81 | 94.2 Ų | 94.2 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.8 | 165.1 | -67.3 | 0 | 0 | 0 | 0 | 108.1 | T134 L135 T136 | T87-T134 HydrophobicContact CG2-CG2 3.21Å; T87-L135 CarbonylContact C-O 3.49Å; T87-L135 VanDerWaalsContact CA-O 3.29Å; T87-L135 WeakPolarHBondContact CA-O 3.41Å; T87-T136 PolarHBondContact OG1-OG1 3.06Å |
| 88 | E | 91.8 | Very high | 73.5 | Confident | 71 Ų | 71 | 93.5 Ų | 93.5 | 33% | 0.332 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.7 | 177.8 | -70.1 | -165 | -105.2 | 0 | 0 | 111 | T86 L135 I142 K146 | T86-E88 HydrophobicContact CG2-CG 4.02Å; E88-L135 PolarHBondContact N-O 3.31Å; E88-L135 WeakPolarHBondContact O-CB 3.44Å; E88-L135 PolarHBondContact O-N 2.82Å; E88-I142 HydrophobicContact CB-CG2 4.23Å; E88-I142 HydrophobicContact CG-CG2 4.4Å; E88-I142 WeakPolarHBondContact OE1-CG2 3.06Å; E88-K146 IonicContact OE1-NZ 2.86Å; E88-K146 PolarHBondContact OE1-NZ 2.93Å; E88-K146 IonicContact OE2-NZ 3.87Å; E88-K146 PolarHBondContact OE2-NZ 3.1Å |
| 89 | D | 88.8 | Confident | 75.3 | Confident | 116 Ų | 116 | 93 Ų | 93 | 62% | 0.62 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.1 | 173.6 | -66.7 | -51.5 | 0 | 0 | 0 | 111.1 | T134 | D89-T134 WeakPolarHBondContact OD1-CB 3.43Å; D89-T134 PolarHBondContact OD1-OG1 2.91Å |
| 90 | F | 88.8 | Confident | 77.2 | Confident | 44 Ų | 44 | 85.1 Ų | 85.1 | 19% | 0.193 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151 | 174 | -175.3 | -112.5 | 0 | 0 | 0 | 109.7 | V92 C133 L135 K146 L149 S150 | F90-V92 HydrophobicContact CD1-CG1 3.75Å; F90-V92 HydrophobicContact CE1-CG1 3.62Å; F90-C133 PolarHBondContact N-O 2.87Å; F90-C133 PolarHBondContact O-N 2.86Å; F90-C133 VanDerWaalsContact O-O 3.11Å; F90-C133 PolarHBondContact O-SG 2.65Å; F90-L135 HydrophobicContact CB-CD1 3.64Å; F90-L135 HydrophobicContact CB-CG 4.05Å; F90-L135 HydrophobicContact CG-CD1 4.25Å; F90-K146 HydrophobicContact CD2-CG 4Å; F90-K146 HydrophobicContact CE2-CG 4.34Å; F90-K146 HydrophobicContact CG-CG 4.35Å; F90-L149 HydrophobicContact CD1-CB 4.31Å; F90-L149 HydrophobicContact CD1-CD1 3.95Å; F90-L149 HydrophobicContact CE1-CB 3.8Å; F90-L149 HydrophobicContact CE1-CD1 4.3Å; F90-S150 WeakPolarHBondContact CZ-OG 3.34Å |
| 91 | K | 88.2 | Confident | 79 | Confident | 141 Ų | 141 | 83 Ų | 83 | 61% | 0.613 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.6 | -177 | -68 | -172.9 | -179.6 | -174.2 | 0 | 110.3 | D130 | K91-D130 HydrophobicContact CB-CB 4.3Å |
| 92 | V | 87.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.6 | 179.1 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | F90 D94 V97 I100 R131 C133 V153 | F90-V92 HydrophobicContact CD1-CG1 3.75Å; F90-V92 HydrophobicContact CE1-CG1 3.62Å; V92-D94 PolarHBondContact O-N 3.23Å; V92-V97 HydrophobicContact CG2-CG2 3.83Å; V92-I100 HydrophobicContact CB-CD1 3.75Å; V92-I100 HydrophobicContact CG1-CD1 3.75Å; V92-I100 HydrophobicContact CG2-CD1 4.14Å; V92-R131 HydrophobicContact CG2-CB 4.37Å; V92-R131 PolarHBondContact N-O 3.02Å; V92-R131 PolarHBondContact O-N 2.91Å; V92-C133 HydrophobicContact CG2-CB 4.45Å; V92-V153 HydrophobicContact CG1-CG2 4.32Å |
| 93 | P | 84.6 | Confident | 82.2 | Confident | 39 Ų | 39 | 75.7 Ų | 75.7 | 25% | 0.253 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 132.6 | 179.8 | -24.9 | 34.4 | 0 | 0 | 0 | 110.9 | K95 M96 V97 V153 | P93-K95 VanDerWaalsContact C-N 3.25Å; P93-K95 PolarHBondContact O-N 3.44Å; P93-M96 HydrophobicContact CB-CG 4.19Å; P93-M96 WeakPolarHBondContact O-CA 3.5Å; P93-M96 WeakPolarHBondContact O-CB 3.47Å; P93-M96 PolarHBondContact O-N 3.46Å; P93-V97 PolarHBondContact O-N 2.93Å; P93-V153 HydrophobicContact CG-CG1 4.23Å |
| 94 | D | 81.1 | Confident | 83.3 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -53.5 | -44.1 | -175.1 | -178.2 | 82.6 | 0 | 0 | 0 | 111.8 | V92 M96 V97 S125 L129 R131 | V92-D94 PolarHBondContact O-N 3.23Å; D94-M96 PolarHBondContact O-N 2.92Å; D94-V97 WeakPolarHBondContact O-CB 3.46Å; D94-V97 PolarHBondContact O-N 2.91Å; D94-S125 WeakPolarHBondContact OD1-CB 3.4Å; D94-S125 PolarHBondContact OD1-OG 2.88Å; D94-L129 PolarHBondContact N-O 2.92Å; D94-R131 IonicContact OD1-CZ 2.66Å; D94-R131 VanDerWaalsContact OD1-CZ 3.32Å; D94-R131 IonicContact OD1-NE 2.83Å; D94-R131 PolarHBondContact OD1-NE 3.4Å; D94-R131 VanDerWaalsContact OD1-NE 3.1Å; D94-R131 IonicContact OD1-NH2 3.1Å; D94-R131 PolarHBondContact OD1-NH2 2.92Å |
| 95 | K | 77.1 | Confident | 84.2 | Confident | 140 Ų | 140 | 67.1 Ų | 67.1 | 61% | 0.609 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.1 | -13.5 | 176.6 | 67.4 | -180 | 179.6 | 179.5 | 0 | 115.4 | P93 D210 | P93-K95 VanDerWaalsContact C-N 3.25Å; P93-K95 PolarHBondContact O-N 3.44Å; K95-D210 IonicContact NZ-OD1 3.54Å; K95-D210 IonicContact NZ-OD2 2.71Å |
| 96 | M | 80.1 | Confident | 84.5 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -102.2 | -15 | 176.2 | -59.4 | -53.9 | -172.8 | 0 | 0 | 113.8 | P93 D94 G98 F99 I100 V153 C156 R157 | P93-M96 HydrophobicContact CB-CG 4.19Å; P93-M96 WeakPolarHBondContact O-CA 3.5Å; P93-M96 WeakPolarHBondContact O-CB 3.47Å; P93-M96 PolarHBondContact O-N 3.46Å; D94-M96 PolarHBondContact O-N 2.92Å; M96-G98 VanDerWaalsContact C-N 3.27Å; M96-G98 PolarHBondContact O-N 2.93Å; M96-F99 PolarHBondContact O-N 3.26Å; M96-F99 HydrophobicContact SD-CD2 4.42Å; M96-I100 PolarHBondContact O-N 3.3Å; M96-I100 VanDerWaalsContact O-N 3.16Å; M96-V153 HydrophobicContact CB-CG2 4.34Å; M96-C156 HydrophobicContact CE-CB 4.25Å; M96-C156 HydrophobicContact SD-CB 3.58Å; M96-C156 VanDerWaalsContact SD-CB 3.58Å; M96-R157 HydrophobicContact CE-CB 4.21Å |
| 97 | V | 82.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.5 | -39.9 | -176.2 | 169.5 | 0 | 0 | 0 | 0 | 112.4 | V92 P93 D94 F99 I100 I101 I121 R131 | V92-V97 HydrophobicContact CG2-CG2 3.83Å; P93-V97 PolarHBondContact O-N 2.93Å; D94-V97 WeakPolarHBondContact O-CB 3.46Å; D94-V97 PolarHBondContact O-N 2.91Å; V97-F99 VanDerWaalsContact C-N 3.27Å; V97-F99 PolarHBondContact O-N 3.15Å; V97-I100 PolarHBondContact O-N 2.99Å; V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 3.47Å; V97-I121 HydrophobicContact CG1-CG2 3.85Å; V97-I121 HydrophobicContact CG2-CG2 4.34Å; V97-R131 HydrophobicContact CG2-CB 3.91Å; V97-R131 HydrophobicContact CG2-CG 4.48Å |
| 98 | G | 81.1 | Confident | 84.4 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 56% | 0.557 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.8 | -30.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M96 G102 | M96-G98 VanDerWaalsContact C-N 3.27Å; M96-G98 PolarHBondContact O-N 2.93Å; G98-G102 PolarHBondContact O-N 2.88Å |
| 99 | F | 80.3 | Confident | 84.4 | Confident | 76 Ų | 76 | 62 Ų | 62 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -81.4 | -36.1 | 176.8 | -60.9 | -79.6 | 0 | 0 | 0 | 112.1 | M96 V97 I101 G102 C156 P160 F162 | M96-F99 PolarHBondContact O-N 3.26Å; M96-F99 HydrophobicContact SD-CD2 4.42Å; V97-F99 VanDerWaalsContact C-N 3.27Å; V97-F99 PolarHBondContact O-N 3.15Å; F99-I101 VanDerWaalsContact C-N 3.34Å; F99-G102 PolarHBondContact O-N 3.37Å; F99-C156 VanDerWaalsContact CB-SG 3.51Å; F99-P160 HydrophobicContact CD1-CB 3.98Å; F99-P160 HydrophobicContact CE1-CB 3.52Å; F99-P160 HydrophobicContact CE1-CG 3.68Å; F99-P160 HydrophobicContact CZ-CB 4.06Å; F99-P160 HydrophobicContact CZ-CG 3.7Å; F99-F162 HydrophobicContact CE1-CZ 4.5Å |
| 100 | I | 84.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.1 | -62.4 | 169.9 | 0 | 0 | 0 | 110.8 | V92 M96 V97 I108 I111 I121 L149 I152 V153 | V92-I100 HydrophobicContact CB-CD1 3.75Å; V92-I100 HydrophobicContact CG1-CD1 3.75Å; V92-I100 HydrophobicContact CG2-CD1 4.14Å; M96-I100 PolarHBondContact O-N 3.3Å; M96-I100 VanDerWaalsContact O-N 3.16Å; V97-I100 PolarHBondContact O-N 2.99Å; I100-I108 HydrophobicContact CG2-CD1 4.13Å; I100-I108 PolarHBondContact O-N 3.18Å; I100-I111 HydrophobicContact CG2-CD1 4.25Å; I100-I121 HydrophobicContact CG2-CD1 3.85Å; I100-L149 HydrophobicContact CG2-CD2 3.45Å; I100-L149 VanDerWaalsContact CG2-CD2 3.45Å; I100-I152 HydrophobicContact CG1-CG2 4.05Å; I100-V153 HydrophobicContact CD1-CG2 3.7Å; I100-V153 HydrophobicContact CG1-CG2 4.37Å |
| 101 | I | 86.4 | Confident | 84.5 | Confident | 62 Ų | 62 | 58 Ų | 58 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.4 | -46.1 | 175.8 | -65.8 | 172.1 | 0 | 0 | 0 | 110.9 | V97 F99 G105 Q107 I108 I121 | V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 3.47Å; F99-I101 VanDerWaalsContact C-N 3.34Å; I101-G105 CarbonylContact O-C 3.56Å; I101-G105 VanDerWaalsContact O-C 3.31Å; I101-G105 VanDerWaalsContact O-CA 3.26Å; I101-G105 WeakPolarHBondContact O-CA 3.45Å; I101-Q107 PolarHBondContact O-N 3.34Å; I101-I108 HydrophobicContact CB-CG2 4.39Å; I101-I108 HydrophobicContact CG2-CG2 4.2Å; I101-I108 PolarHBondContact O-N 3.38Å; I101-I121 HydrophobicContact CD1-CD1 4.32Å; I101-I121 HydrophobicContact CG1-CD1 3.79Å |
| 102 | G | 81.9 | Confident | 84.7 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | trans | 74.3 | 175 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G98 F99 G104 G105 | G98-G102 PolarHBondContact O-N 2.88Å; F99-G102 PolarHBondContact O-N 3.37Å; G102-G104 PolarHBondContact O-N 3.47Å; G102-G105 PolarHBondContact O-N 3.41Å | ||
| 103 | K | 79.9 | Confident | 84.9 | Confident | 164 Ų | 164 | 61.8 Ų | 61.8 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -62.4 | 126.4 | 178.2 | -63.9 | 174.6 | -172.9 | 166.9 | 0 | 109.2 | G105 E106 | K103-G105 PolarHBondContact O-N 2.89Å; K103-E106 PolarHBondContact O-N 2.65Å |
| 104 | G | 80.2 | Confident | 85.3 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 97% | 0.969 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | 63.5 | 9.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G102 | G102-G104 PolarHBondContact O-N 3.47Š|
| 105 | G | 84.6 | Confident | 85.7 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | 81.1 | 10.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | I101 G102 K103 Q107 I108 S109 | I101-G105 CarbonylContact O-C 3.56Å; I101-G105 VanDerWaalsContact O-C 3.31Å; I101-G105 VanDerWaalsContact O-CA 3.26Å; I101-G105 WeakPolarHBondContact O-CA 3.45Å; G102-G105 PolarHBondContact O-N 3.41Å; K103-G105 PolarHBondContact O-N 2.89Å; G105-Q107 PolarHBondContact O-N 2.92Å; G105-I108 WeakPolarHBondContact O-CG2 3.45Å; G105-S109 WeakPolarHBondContact O-CB 3.33Å; G105-S109 PolarHBondContact O-N 2.93Å; G105-S109 PolarHBondContact O-OG 2.87Å |
| 106 | E | 86.4 | Confident | 86.3 | Confident | 109 Ų | 109 | 57.4 Ų | 57.4 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | -178.8 | -168.3 | -156.6 | 142.3 | 0 | 0 | 112 | K103 S109 R110 | K103-E106 PolarHBondContact O-N 2.65Å; E106-S109 WeakPolarHBondContact O-CB 3.3Å; E106-S109 PolarHBondContact O-N 3.16Å; E106-S109 VanDerWaalsContact O-N 3.16Å; E106-R110 PolarHBondContact O-N 3.36Å; E106-R110 IonicContact OE1-CZ 2.65Å; E106-R110 IonicContact OE1-NH2 3.02Å; E106-R110 PolarHBondContact OE1-NH2 3.03Å |
| 107 | Q | 86.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -47.9 | -175 | -171.2 | 65.4 | 23.1 | 0 | 0 | 111 | I101 G105 S109 R110 I111 I152 | I101-Q107 PolarHBondContact O-N 3.34Å; G105-Q107 PolarHBondContact O-N 2.92Å; Q107-S109 VanDerWaalsContact C-N 3.27Å; Q107-S109 PolarHBondContact O-N 3.41Å; Q107-R110 WeakPolarHBondContact O-CB 3.43Å; Q107-R110 PolarHBondContact O-N 2.97Å; Q107-R110 VanDerWaalsContact O-N 3.16Å; Q107-I111 HydrophobicContact CG-CD1 4.33Å; Q107-I111 VanDerWaalsContact O-CG1 3.3Å; Q107-I111 WeakPolarHBondContact O-CG1 3.39Å; Q107-I111 PolarHBondContact O-N 3.16Å; Q107-I152 HydrophobicContact CG-CD1 4.34Å |
| 108 | I | 90.3 | Very high | 87.4 | Confident | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.087 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.9 | -24.8 | 176.8 | -168.5 | 56.4 | 0 | 0 | 0 | 113.1 | I100 I101 G105 I111 Q112 I119 I121 L149 | I100-I108 HydrophobicContact CG2-CD1 4.13Å; I100-I108 PolarHBondContact O-N 3.18Å; I101-I108 HydrophobicContact CB-CG2 4.39Å; I101-I108 HydrophobicContact CG2-CG2 4.2Å; I101-I108 PolarHBondContact O-N 3.38Å; G105-I108 WeakPolarHBondContact O-CG2 3.45Å; I108-I111 HydrophobicContact CD1-CB 4.47Å; I108-I111 HydrophobicContact CD1-CD1 4.13Å; I108-Q112 WeakPolarHBondContact O-CB 3.38Å; I108-Q112 VanDerWaalsContact O-CG 3.22Å; I108-Q112 WeakPolarHBondContact O-CG 3.34Å; I108-Q112 PolarHBondContact O-N 2.86Å; I108-Q112 PolarHBondContact O-NE2 3.48Å; I108-I119 HydrophobicContact CD1-CB 3.93Å; I108-I119 HydrophobicContact CD1-CD1 3.98Å; I108-I119 HydrophobicContact CD1-CG2 3.73Å; I108-I121 HydrophobicContact CD1-CD1 4.36Å; I108-I121 HydrophobicContact CG1-CD1 4.42Å; I108-L149 HydrophobicContact CD1-CD2 4.48Å |
| 109 | S | 90.7 | Very high | 87.9 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 170.4 | -57.5 | 0 | 0 | 0 | 0 | 111 | G105 E106 Q107 Q112 Q113 | G105-S109 WeakPolarHBondContact O-CB 3.33Å; G105-S109 PolarHBondContact O-N 2.93Å; G105-S109 PolarHBondContact O-OG 2.87Å; E106-S109 WeakPolarHBondContact O-CB 3.3Å; E106-S109 PolarHBondContact O-N 3.16Å; E106-S109 VanDerWaalsContact O-N 3.16Å; Q107-S109 VanDerWaalsContact C-N 3.27Å; Q107-S109 PolarHBondContact O-N 3.41Å; S109-Q112 PolarHBondContact O-N 3.19Å; S109-Q113 WeakPolarHBondContact O-CB 3.41Å; S109-Q113 PolarHBondContact O-N 3.26Å |
| 110 | R | 89.9 | Confident | 88.4 | Confident | 73 Ų | 73 | 62 Ų | 62 | 28% | 0.275 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -48.5 | 174.9 | -167.3 | -173.9 | -61.2 | -151.9 | 5.1 | 111.8 | E106 Q107 Q112 Q113 E114 | E106-R110 PolarHBondContact O-N 3.36Å; E106-R110 IonicContact OE1-CZ 2.65Å; E106-R110 IonicContact OE1-NH2 3.02Å; E106-R110 PolarHBondContact OE1-NH2 3.03Å; Q107-R110 WeakPolarHBondContact O-CB 3.43Å; Q107-R110 PolarHBondContact O-N 2.97Å; Q107-R110 VanDerWaalsContact O-N 3.16Å; R110-Q112 VanDerWaalsContact C-N 3.31Å; R110-Q112 PolarHBondContact O-N 2.71Å; R110-Q113 PolarHBondContact O-N 3.16Å; R110-Q113 VanDerWaalsContact O-N 3.1Å; R110-E114 WeakPolarHBondContact CD-OE1 3.3Å; R110-E114 HydrophobicContact CG-CG 4.28Å; R110-E114 VanDerWaalsContact CG-OE1 3.27Å; R110-E114 WeakPolarHBondContact CG-OE1 3.44Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.19Å |
| 111 | I | 91 | Very high | 88.6 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 177.8 | -57.9 | 162.4 | 0 | 0 | 0 | 111 | I100 Q107 I108 E114 S115 I119 L148 L149 I152 | I100-I111 HydrophobicContact CG2-CD1 4.25Å; Q107-I111 HydrophobicContact CG-CD1 4.33Å; Q107-I111 VanDerWaalsContact O-CG1 3.3Å; Q107-I111 WeakPolarHBondContact O-CG1 3.39Å; Q107-I111 PolarHBondContact O-N 3.16Å; I108-I111 HydrophobicContact CD1-CB 4.47Å; I108-I111 HydrophobicContact CD1-CD1 4.13Å; I111-E114 PolarHBondContact O-N 3.46Å; I111-S115 VanDerWaalsContact O-CB 3.3Å; I111-S115 WeakPolarHBondContact O-CB 3.42Å; I111-S115 PolarHBondContact O-N 3.45Å; I111-S115 PolarHBondContact O-OG 3.39Å; I111-I119 HydrophobicContact CB-CD1 4.3Å; I111-I119 HydrophobicContact CG2-CD1 3.56Å; I111-L148 HydrophobicContact CG2-CB 3.94Å; I111-L148 HydrophobicContact CG2-CD1 4.14Å; I111-L149 HydrophobicContact CD1-CD2 4.13Å; I111-I152 HydrophobicContact CD1-CD1 3.39Å; I111-I152 HydrophobicContact CG1-CD1 3.74Å |
| 112 | Q | 91.4 | Very high | 88.5 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 177 | -73.9 | 176.9 | 98.4 | 0 | 0 | 112.4 | I108 S109 R110 G116 C117 I119 | I108-Q112 WeakPolarHBondContact O-CB 3.38Å; I108-Q112 VanDerWaalsContact O-CG 3.22Å; I108-Q112 WeakPolarHBondContact O-CG 3.34Å; I108-Q112 PolarHBondContact O-N 2.86Å; I108-Q112 PolarHBondContact O-NE2 3.48Å; S109-Q112 PolarHBondContact O-N 3.19Å; R110-Q112 VanDerWaalsContact C-N 3.31Å; R110-Q112 PolarHBondContact O-N 2.71Å; Q112-G116 WeakPolarHBondContact O-CA 3.41Å; Q112-G116 PolarHBondContact O-N 3.02Å; Q112-C117 WeakPolarHBondContact CA-O 3.3Å; Q112-C117 WeakPolarHBondContact CB-O 3.39Å; Q112-C117 WeakPolarHBondContact CG-O 3.48Å; Q112-I119 HydrophobicContact CG-CB 3.76Å; Q112-I119 HydrophobicContact CG-CD1 3.86Å; Q112-I119 HydrophobicContact CG-CG1 3.74Å; Q112-I119 PolarHBondContact OE1-O 3.25Å |
| 113 | Q | 92.4 | Very high | 88.2 | Confident | 167 Ų | 167 | 67.2 Ų | 67.2 | 78% | 0.78 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.5 | -42.6 | 176.3 | -173.4 | 176.2 | 9.9 | 0 | 0 | 112.4 | S109 R110 | S109-Q113 WeakPolarHBondContact O-CB 3.41Å; S109-Q113 PolarHBondContact O-N 3.26Å; R110-Q113 PolarHBondContact O-N 3.16Å; R110-Q113 VanDerWaalsContact O-N 3.1Å |
| 114 | E | 91.9 | Very high | 87.8 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.2 | -41.8 | -178.9 | -73.2 | 173.1 | 178 | 0 | 0 | 112.5 | R110 I111 Q144 L148 | R110-E114 WeakPolarHBondContact CD-OE1 3.3Å; R110-E114 HydrophobicContact CG-CG 4.28Å; R110-E114 VanDerWaalsContact CG-OE1 3.27Å; R110-E114 WeakPolarHBondContact CG-OE1 3.44Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.19Å; I111-E114 PolarHBondContact O-N 3.46Å; E114-Q144 PolarHBondContact O-NE2 3.48Å; E114-L148 HydrophobicContact CB-CD1 4.13Å |
| 115 | S | 91.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -80.9 | -17.8 | 177.8 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | I111 C117 N141 | I111-S115 VanDerWaalsContact O-CB 3.3Å; I111-S115 WeakPolarHBondContact O-CB 3.42Å; I111-S115 PolarHBondContact O-N 3.45Å; I111-S115 PolarHBondContact O-OG 3.39Å; S115-C117 PolarHBondContact O-N 3.49Å; S115-C117 VanDerWaalsContact O-N 3.14Å; S115-C117 WeakPolarHBondContact OG-CB 3.46Å; S115-C117 PolarHBondContact OG-N 3.2Å; S115-N141 WeakPolarHBondContact O-CA 3.36Å; S115-N141 WeakPolarHBondContact O-CB 3.38Å; S115-N141 PolarHBondContact O-ND2 3.06Å |
| 116 | G | 89.6 | Confident | 86.5 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 46% | 0.464 | 35% | 0.352 | S | S | . | . | trans | 59.7 | 17.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q112 N141 | Q112-G116 WeakPolarHBondContact O-CA 3.41Å; Q112-G116 PolarHBondContact O-N 3.02Å; G116-N141 VanDerWaalsContact C-ND2 3.32Å; G116-N141 PolarHBondContact O-ND2 3.38Å | ||
| 117 | C | 92.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | trans | -102 | 139.6 | 177.2 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | Q112 S115 T136 N141 A145 | Q112-C117 WeakPolarHBondContact CA-O 3.3Å; Q112-C117 WeakPolarHBondContact CB-O 3.39Å; Q112-C117 WeakPolarHBondContact CG-O 3.48Å; S115-C117 PolarHBondContact O-N 3.49Å; S115-C117 VanDerWaalsContact O-N 3.14Å; S115-C117 WeakPolarHBondContact OG-CB 3.46Å; S115-C117 PolarHBondContact OG-N 3.2Å; C117-T136 PolarHBondContact SG-O 3.5Å; C117-T136 VanDerWaalsContact SG-O 3.41Å; C117-N141 HydrophobicContact CB-CB 4.24Å; C117-A145 HydrophobicContact CB-CB 3.72Å | ||
| 118 | K | 92.3 | Very high | 84.5 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 53% | 0.53 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.9 | 165.2 | -172.2 | -175.1 | 177.6 | -166 | 0 | 108.2 | T136 | K118-T136 PolarHBondContact N-O 3.2Å; K118-T136 PolarHBondContact O-N 3Å |
| 119 | I | 92.8 | Very high | 83.6 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.051 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.7 | -177.9 | -55.5 | 171.2 | 0 | 0 | 0 | 108.8 | I108 I111 Q112 I121 L135 A145 L149 | I108-I119 HydrophobicContact CD1-CB 3.93Å; I108-I119 HydrophobicContact CD1-CD1 3.98Å; I108-I119 HydrophobicContact CD1-CG2 3.73Å; I111-I119 HydrophobicContact CB-CD1 4.3Å; I111-I119 HydrophobicContact CG2-CD1 3.56Å; Q112-I119 HydrophobicContact CG-CB 3.76Å; Q112-I119 HydrophobicContact CG-CD1 3.86Å; Q112-I119 HydrophobicContact CG-CG1 3.74Å; Q112-I119 PolarHBondContact OE1-O 3.25Å; I119-I121 HydrophobicContact CG2-CG1 4.35Å; I119-L135 HydrophobicContact CB-CD2 4.18Å; I119-L135 HydrophobicContact CD1-CD2 4.44Å; I119-L135 HydrophobicContact CG1-CD2 3.78Å; I119-L135 HydrophobicContact CG2-CD2 3.72Å; I119-A145 HydrophobicContact CD1-CB 4.08Å; I119-L149 HydrophobicContact CD1-CD1 4.27Å; I119-L149 HydrophobicContact CG2-CD1 4.41Å |
| 120 | Q | 89.8 | Confident | 83.2 | Confident | 122 Ų | 122 | 71.5 Ų | 71.5 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 101.5 | -179.1 | -172 | 161.5 | -7.9 | 0 | 0 | 110.3 | C133 T134 | Q120-C133 CarbonylContact O-C 3.58Å; Q120-C133 WeakPolarHBondContact O-CA 3.3Å; Q120-T134 PolarHBondContact N-O 2.91Å; Q120-T134 PolarHBondContact O-N 3.36Å |
| 121 | I | 89 | Confident | 83 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 140.2 | 175.6 | -52.8 | 167.9 | 0 | 0 | 0 | 108.7 | V97 I100 I101 I108 I119 R131 C133 | V97-I121 HydrophobicContact CG1-CG2 3.85Å; V97-I121 HydrophobicContact CG2-CG2 4.34Å; I100-I121 HydrophobicContact CG2-CD1 3.85Å; I101-I121 HydrophobicContact CD1-CD1 4.32Å; I101-I121 HydrophobicContact CG1-CD1 3.79Å; I108-I121 HydrophobicContact CD1-CD1 4.36Å; I108-I121 HydrophobicContact CG1-CD1 4.42Å; I119-I121 HydrophobicContact CG2-CG1 4.35Å; I121-R131 HydrophobicContact CG2-CG 4.2Å; I121-C133 HydrophobicContact CB-CB 4.1Å; I121-C133 HydrophobicContact CG1-CB 3.7Å; I121-C133 HydrophobicContact CG2-CB 4.28Å |
| 122 | A | 84.6 | Confident | 82.7 | Confident | 38 Ų | 38 | 72.5 Ų | 72.5 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | trans | -61 | 154.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D124 R131 P132 | A122-D124 WeakPolarHBondContact CB-O 3.34Å; A122-R131 HydrophobicContact CB-CG 4Å; A122-R131 VanDerWaalsContact O-CD 3.32Å; A122-R131 WeakPolarHBondContact O-CD 3.29Å; A122-R131 PolarHBondContact O-NH1 2.66Å; A122-P132 HydrophobicContact CB-CG 4.19Å; A122-P132 PolarHBondContact N-O 3.27Å | ||
| 123 | S | 75.1 | Confident | 82.7 | Confident | 124 Ų | 124 | 69.9 Ų | 69.9 | 87% | 0.867 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -74 | -28.2 | 176.4 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | R131 | S123-R131 PolarHBondContact O-NH1 2.68Š|
| 124 | D | 72.3 | Confident | 82.7 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | trans | -138.1 | 158.4 | 176.1 | -178.1 | 23.2 | 0 | 0 | 0 | 110 | A122 G126 | A122-D124 WeakPolarHBondContact CB-O 3.34Å; D124-G126 VanDerWaalsContact CG-N 3.28Å; D124-G126 PolarHBondContact OD1-N 3.24Å; D124-G126 PolarHBondContact OD2-N 3.44Å | ||
| 125 | S | 69.3 | Low | 82.7 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | trans | -96.3 | -3.5 | 171.9 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | D94 G127 M128 R131 | D94-S125 WeakPolarHBondContact OD1-CB 3.4Å; D94-S125 PolarHBondContact OD1-OG 2.88Å; S125-G127 PolarHBondContact O-N 2.83Å; S125-M128 WeakPolarHBondContact CB-O 3.28Å; S125-M128 WeakPolarHBondContact O-CB 3.25Å; S125-M128 PolarHBondContact O-N 2.82Å; S125-R131 WeakPolarHBondContact OG-CB 3.48Å; S125-R131 VanDerWaalsContact OG-CG 3.3Å; S125-R131 WeakPolarHBondContact OG-CG 3.18Å; S125-R131 PolarHBondContact OG-NE 2.85Å | ||
| 126 | G | 66.9 | Low | 82.8 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 28 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D124 | D124-G126 VanDerWaalsContact CG-N 3.28Å; D124-G126 PolarHBondContact OD1-N 3.24Å; D124-G126 PolarHBondContact OD2-N 3.44Å |
| 127 | G | 62 | Low | 82.9 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 80% | 0.804 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 2.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S125 | S125-G127 PolarHBondContact O-N 2.83Š|
| 128 | M | 69.8 | Low | 83 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 61% | 0.611 | 37% | 0.367 | S | S | * | . | trans | -79.5 | 150.2 | 173.5 | -60.5 | -165.5 | 72.3 | 0 | 0 | 112.4 | S125 D130 | S125-M128 WeakPolarHBondContact CB-O 3.28Å; S125-M128 WeakPolarHBondContact O-CB 3.25Å; S125-M128 PolarHBondContact O-N 2.82Å; M128-D130 VanDerWaalsContact C-N 3.31Å | ||
| 129 | L | 71.9 | Confident | 83 | Confident | 154 Ų | 154 | 58.7 Ų | 58.7 | 81% | 0.806 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -70.4 | -27.6 | 176 | -63.9 | 175.6 | 0 | 0 | 0 | 113.1 | D94 | D94-L129 PolarHBondContact N-O 2.92Š|
| 130 | D | 82.9 | Confident | 83 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130 | 175.9 | -61.3 | -45.9 | 0 | 0 | 0 | 110.1 | K91 M128 | K91-D130 HydrophobicContact CB-CB 4.3Å; M128-D130 VanDerWaalsContact C-N 3.31Å |
| 131 | R | 84.5 | Confident | 83.2 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.7 | 172.9 | -162.6 | 172.9 | -71.5 | -142.2 | -5 | 110.3 | V92 D94 V97 I121 A122 S123 S125 | V92-R131 HydrophobicContact CG2-CB 4.37Å; V92-R131 PolarHBondContact N-O 3.02Å; V92-R131 PolarHBondContact O-N 2.91Å; D94-R131 IonicContact OD1-CZ 2.66Å; D94-R131 VanDerWaalsContact OD1-CZ 3.32Å; D94-R131 IonicContact OD1-NE 2.83Å; D94-R131 PolarHBondContact OD1-NE 3.4Å; D94-R131 VanDerWaalsContact OD1-NE 3.1Å; D94-R131 IonicContact OD1-NH2 3.1Å; D94-R131 PolarHBondContact OD1-NH2 2.92Å; V97-R131 HydrophobicContact CG2-CB 3.91Å; V97-R131 HydrophobicContact CG2-CG 4.48Å; I121-R131 HydrophobicContact CG2-CG 4.2Å; A122-R131 HydrophobicContact CB-CG 4Å; A122-R131 VanDerWaalsContact O-CD 3.32Å; A122-R131 WeakPolarHBondContact O-CD 3.29Å; A122-R131 PolarHBondContact O-NH1 2.66Å; S123-R131 PolarHBondContact O-NH1 2.68Å; S125-R131 WeakPolarHBondContact OG-CB 3.48Å; S125-R131 VanDerWaalsContact OG-CG 3.3Å; S125-R131 WeakPolarHBondContact OG-CG 3.18Å; S125-R131 PolarHBondContact OG-NE 2.85Å |
| 132 | P | 85.6 | Confident | 83.4 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 140.4 | 168 | 29.4 | -32.8 | 0 | 0 | 0 | 110.7 | A122 | A122-P132 HydrophobicContact CB-CG 4.19Å; A122-P132 PolarHBondContact N-O 3.27Å |
| 133 | C | 89.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 129.7 | 167.3 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | F90 V92 Q120 I121 | F90-C133 PolarHBondContact N-O 2.87Å; F90-C133 PolarHBondContact O-N 2.86Å; F90-C133 VanDerWaalsContact O-O 3.11Å; F90-C133 PolarHBondContact O-SG 2.65Å; V92-C133 HydrophobicContact CG2-CB 4.45Å; Q120-C133 CarbonylContact O-C 3.58Å; Q120-C133 WeakPolarHBondContact O-CA 3.3Å; I121-C133 HydrophobicContact CB-CB 4.1Å; I121-C133 HydrophobicContact CG1-CB 3.7Å; I121-C133 HydrophobicContact CG2-CB 4.28Å |
| 134 | T | 92.2 | Very high | 84.6 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.3 | -172.7 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | T87 D89 Q120 | T87-T134 HydrophobicContact CG2-CG2 3.21Å; D89-T134 WeakPolarHBondContact OD1-CB 3.43Å; D89-T134 PolarHBondContact OD1-OG1 2.91Å; Q120-T134 PolarHBondContact N-O 2.91Å; Q120-T134 PolarHBondContact O-N 3.36Å |
| 135 | L | 93.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.9 | -176.9 | -51.4 | -179.5 | 0 | 0 | 0 | 108.9 | T87 E88 F90 I119 I142 K146 L149 | T87-L135 CarbonylContact C-O 3.49Å; T87-L135 VanDerWaalsContact CA-O 3.29Å; T87-L135 WeakPolarHBondContact CA-O 3.41Å; E88-L135 PolarHBondContact N-O 3.31Å; E88-L135 WeakPolarHBondContact O-CB 3.44Å; E88-L135 PolarHBondContact O-N 2.82Å; F90-L135 HydrophobicContact CB-CD1 3.64Å; F90-L135 HydrophobicContact CB-CG 4.05Å; F90-L135 HydrophobicContact CG-CD1 4.25Å; I119-L135 HydrophobicContact CB-CD2 4.18Å; I119-L135 HydrophobicContact CD1-CD2 4.44Å; I119-L135 HydrophobicContact CG1-CD2 3.78Å; I119-L135 HydrophobicContact CG2-CD2 3.72Å; L135-I142 HydrophobicContact CB-CG1 4.33Å; L135-I142 HydrophobicContact CB-CG2 4.13Å; L135-I142 HydrophobicContact CD1-CG2 4.08Å; L135-K146 HydrophobicContact CD1-CD 4.43Å; L135-K146 HydrophobicContact CD1-CG 3.56Å; L135-L149 HydrophobicContact CD1-CD1 4.42Å; L135-L149 HydrophobicContact CD2-CD1 3.69Å |
| 136 | T | 92.4 | Very high | 86.6 | Confident | 46 Ų | 46 | 58 Ų | 58 | 28% | 0.282 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.7 | 178.7 | -58 | 0 | 0 | 0 | 0 | 110.7 | T86 T87 C117 K118 | T86-T136 WeakPolarHBondContact O-CA 3.35Å; T87-T136 PolarHBondContact OG1-OG1 3.06Å; C117-T136 PolarHBondContact SG-O 3.5Å; C117-T136 VanDerWaalsContact SG-O 3.41Å; K118-T136 PolarHBondContact N-O 3.2Å; K118-T136 PolarHBondContact O-N 3Å |
| 137 | G | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | -171.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F85 T86 | F85-G137 CarbonylContact C-O 3.53Å; F85-G137 WeakPolarHBondContact CA-O 3.27Å; T86-G137 PolarHBondContact N-O 3.21Å; T86-G137 PolarHBondContact O-N 3.42Å; T86-G137 VanDerWaalsContact O-N 3.15Å |
| 138 | S | 94 | Very high | 89 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | trans | -65.2 | 158.4 | 159.3 | 66.5 | 0 | 0 | 0 | 0 | 109.4 | E140 N141 I142 | S138-E140 PolarHBondContact O-N 3.28Å; S138-N141 PolarHBondContact O-N 3.41Å; S138-N141 VanDerWaalsContact OG-CB 3.28Å; S138-N141 WeakPolarHBondContact OG-CB 3.32Å; S138-N141 PolarHBondContact OG-N 3.01Å; S138-N141 VanDerWaalsContact OG-N 3.09Å; S138-N141 PolarHBondContact OG-OD1 3.28Å; S138-I142 VanDerWaalsContact O-CG1 3.3Å; S138-I142 WeakPolarHBondContact O-CG1 3.26Å; S138-I142 PolarHBondContact O-N 2.88Å | ||
| 139 | P | 91.6 | Very high | 90 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57 | -35.8 | 175.7 | 21.3 | -33 | 0 | 0 | 0 | 113 | I142 E143 | P139-I142 PolarHBondContact O-N 3.38Å; P139-E143 PolarHBondContact O-N 2.84Å |
| 140 | E | 92.2 | Very high | 90.7 | Very high | 151 Ų | 151 | 50 Ų | 50 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.3 | -47.6 | 175.5 | -173.9 | 172.2 | -155.2 | 0 | 0 | 112 | S138 I142 E143 Q144 | S138-E140 PolarHBondContact O-N 3.28Å; E140-I142 VanDerWaalsContact C-N 3.33Å; E140-I142 PolarHBondContact O-N 2.86Å; E140-E143 PolarHBondContact O-N 2.82Å; E140-Q144 PolarHBondContact O-N 3.26Å |
| 141 | N | 94.1 | Very high | 90.7 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.8 | -68.6 | 25.8 | 0 | 0 | 0 | 111.5 | S115 G116 C117 S138 Q144 A145 | S115-N141 WeakPolarHBondContact O-CA 3.36Å; S115-N141 WeakPolarHBondContact O-CB 3.38Å; S115-N141 PolarHBondContact O-ND2 3.06Å; G116-N141 VanDerWaalsContact C-ND2 3.32Å; G116-N141 PolarHBondContact O-ND2 3.38Å; C117-N141 HydrophobicContact CB-CB 4.24Å; S138-N141 PolarHBondContact O-N 3.41Å; S138-N141 VanDerWaalsContact OG-CB 3.28Å; S138-N141 WeakPolarHBondContact OG-CB 3.32Å; S138-N141 PolarHBondContact OG-N 3.01Å; S138-N141 VanDerWaalsContact OG-N 3.09Å; S138-N141 PolarHBondContact OG-OD1 3.28Å; N141-Q144 PolarHBondContact O-N 2.68Å; N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 2.83Å |
| 142 | I | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.4 | -68.6 | 165.1 | 0 | 0 | 0 | 110.5 | T86 E88 L135 S138 P139 E140 A145 K146 | T86-I142 WeakPolarHBondContact O-CD1 3.29Å; E88-I142 HydrophobicContact CB-CG2 4.23Å; E88-I142 HydrophobicContact CG-CG2 4.4Å; E88-I142 WeakPolarHBondContact OE1-CG2 3.06Å; L135-I142 HydrophobicContact CB-CG1 4.33Å; L135-I142 HydrophobicContact CB-CG2 4.13Å; L135-I142 HydrophobicContact CD1-CG2 4.08Å; S138-I142 VanDerWaalsContact O-CG1 3.3Å; S138-I142 WeakPolarHBondContact O-CG1 3.26Å; S138-I142 PolarHBondContact O-N 2.88Å; P139-I142 PolarHBondContact O-N 3.38Å; E140-I142 VanDerWaalsContact C-N 3.33Å; E140-I142 PolarHBondContact O-N 2.86Å; I142-A145 PolarHBondContact O-N 2.79Å; I142-K146 HydrophobicContact CG2-CD 4.08Å; I142-K146 HydrophobicContact CG2-CG 4.47Å; I142-K146 WeakPolarHBondContact O-CB 3.28Å; I142-K146 VanDerWaalsContact O-CG 3.28Å; I142-K146 WeakPolarHBondContact O-CG 3.37Å; I142-K146 PolarHBondContact O-N 3.48Å |
| 143 | E | 92.1 | Very high | 90.5 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 46% | 0.458 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -42.2 | 176.3 | -154.2 | -162.9 | 133.3 | 0 | 0 | 111.6 | P139 E140 A145 K146 R147 | P139-E143 PolarHBondContact O-N 2.84Å; E140-E143 PolarHBondContact O-N 2.82Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.28Å; E143-K146 PolarHBondContact O-N 3.29Å; E143-R147 WeakPolarHBondContact O-CG 3.34Å; E143-R147 PolarHBondContact O-N 2.94Å; E143-R147 IonicContact OE1-CZ 3.83Å; E143-R147 VanDerWaalsContact OE1-CZ 3.24Å; E143-R147 IonicContact OE1-NE 3.24Å; E143-R147 PolarHBondContact OE1-NE 2.98Å; E143-R147 IonicContact OE1-NH2 2.82Å; E143-R147 PolarHBondContact OE1-NH2 2.82Å |
| 144 | Q | 92.8 | Very high | 89.8 | Confident | 82 Ų | 82 | 53.9 Ų | 53.9 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.1 | -168.7 | -176.8 | -25.9 | 0 | 0 | 111.7 | E114 E140 N141 R147 L148 | E114-Q144 PolarHBondContact O-NE2 3.48Å; E140-Q144 PolarHBondContact O-N 3.26Å; N141-Q144 PolarHBondContact O-N 2.68Å; Q144-R147 PolarHBondContact O-N 2.85Å; Q144-L148 HydrophobicContact CG-CD1 4.41Å; Q144-L148 WeakPolarHBondContact O-CG 3.48Å; Q144-L148 PolarHBondContact O-N 3.21Å |
| 145 | A | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | C117 I119 N141 I142 E143 R147 L148 L149 | C117-A145 HydrophobicContact CB-CB 3.72Å; I119-A145 HydrophobicContact CD1-CB 4.08Å; N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 2.83Å; I142-A145 PolarHBondContact O-N 2.79Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.28Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.27Å; A145-L148 PolarHBondContact O-N 2.97Å; A145-L149 VanDerWaalsContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CG 3.38Å; A145-L149 PolarHBondContact O-N 3.48Å |
| 146 | K | 92.1 | Very high | 87.2 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 21% | 0.213 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 174.5 | -74.7 | 166.7 | 176.6 | 168.7 | 0 | 112 | E88 F90 L135 I142 E143 S150 | E88-K146 IonicContact OE1-NZ 2.86Å; E88-K146 PolarHBondContact OE1-NZ 2.93Å; E88-K146 IonicContact OE2-NZ 3.87Å; E88-K146 PolarHBondContact OE2-NZ 3.1Å; F90-K146 HydrophobicContact CD2-CG 4Å; F90-K146 HydrophobicContact CE2-CG 4.34Å; F90-K146 HydrophobicContact CG-CG 4.35Å; L135-K146 HydrophobicContact CD1-CD 4.43Å; L135-K146 HydrophobicContact CD1-CG 3.56Å; I142-K146 HydrophobicContact CG2-CD 4.08Å; I142-K146 HydrophobicContact CG2-CG 4.47Å; I142-K146 WeakPolarHBondContact O-CB 3.28Å; I142-K146 VanDerWaalsContact O-CG 3.28Å; I142-K146 WeakPolarHBondContact O-CG 3.37Å; I142-K146 PolarHBondContact O-N 3.48Å; E143-K146 PolarHBondContact O-N 3.29Å; K146-S150 VanDerWaalsContact O-CB 3.25Å; K146-S150 WeakPolarHBondContact O-CB 3.46Å; K146-S150 PolarHBondContact O-N 3.19Å; K146-S150 PolarHBondContact O-OG 3.32Å |
| 147 | R | 91.1 | Very high | 85.5 | Confident | 165 Ų | 165 | 64.6 Ų | 64.6 | 62% | 0.623 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.5 | -52.5 | 176.5 | -70.4 | 174.6 | -172.9 | -157.5 | 8.6 | 111.2 | E143 Q144 A145 L149 S150 E151 | E143-R147 WeakPolarHBondContact O-CG 3.34Å; E143-R147 PolarHBondContact O-N 2.94Å; E143-R147 IonicContact OE1-CZ 3.83Å; E143-R147 VanDerWaalsContact OE1-CZ 3.24Å; E143-R147 IonicContact OE1-NE 3.24Å; E143-R147 PolarHBondContact OE1-NE 2.98Å; E143-R147 IonicContact OE1-NH2 2.82Å; E143-R147 PolarHBondContact OE1-NH2 2.82Å; Q144-R147 PolarHBondContact O-N 2.85Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.27Å; R147-L149 PolarHBondContact O-N 3.16Å; R147-S150 PolarHBondContact O-N 3.3Å; R147-E151 WeakPolarHBondContact O-CB 3.25Å; R147-E151 PolarHBondContact O-N 3.2Å |
| 148 | L | 88.8 | Confident | 83.5 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -41 | 178.9 | -68.7 | 171.8 | 0 | 0 | 0 | 112.7 | I111 E114 Q144 A145 E151 I152 | I111-L148 HydrophobicContact CG2-CB 3.94Å; I111-L148 HydrophobicContact CG2-CD1 4.14Å; E114-L148 HydrophobicContact CB-CD1 4.13Å; Q144-L148 HydrophobicContact CG-CD1 4.41Å; Q144-L148 WeakPolarHBondContact O-CG 3.48Å; Q144-L148 PolarHBondContact O-N 3.21Å; A145-L148 PolarHBondContact O-N 2.97Å; L148-E151 PolarHBondContact O-N 3.04Å; L148-I152 WeakPolarHBondContact O-CG1 3.32Å; L148-I152 PolarHBondContact O-N 2.88Å |
| 149 | L | 89.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 175.3 | -70.7 | 169 | 0 | 0 | 0 | 111.8 | F90 I100 I108 I111 I119 L135 A145 R147 I152 V153 | F90-L149 HydrophobicContact CD1-CB 4.31Å; F90-L149 HydrophobicContact CD1-CD1 3.95Å; F90-L149 HydrophobicContact CE1-CB 3.8Å; F90-L149 HydrophobicContact CE1-CD1 4.3Å; I100-L149 HydrophobicContact CG2-CD2 3.45Å; I100-L149 VanDerWaalsContact CG2-CD2 3.45Å; I108-L149 HydrophobicContact CD1-CD2 4.48Å; I111-L149 HydrophobicContact CD1-CD2 4.13Å; I119-L149 HydrophobicContact CD1-CD1 4.27Å; I119-L149 HydrophobicContact CG2-CD1 4.41Å; L135-L149 HydrophobicContact CD1-CD1 4.42Å; L135-L149 HydrophobicContact CD2-CD1 3.69Å; A145-L149 VanDerWaalsContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CG 3.38Å; A145-L149 PolarHBondContact O-N 3.48Å; R147-L149 PolarHBondContact O-N 3.16Å; L149-I152 PolarHBondContact O-N 2.86Å; L149-V153 WeakPolarHBondContact O-CB 3.42Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.46Å; L149-V153 PolarHBondContact O-N 2.9Å |
| 150 | S | 86.6 | Confident | 78.9 | Confident | 52 Ų | 52 | 69 Ų | 69 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | F90 K146 R147 I152 V153 E154 | F90-S150 WeakPolarHBondContact CZ-OG 3.34Å; K146-S150 VanDerWaalsContact O-CB 3.25Å; K146-S150 WeakPolarHBondContact O-CB 3.46Å; K146-S150 PolarHBondContact O-N 3.19Å; K146-S150 PolarHBondContact O-OG 3.32Å; R147-S150 PolarHBondContact O-N 3.3Å; S150-I152 PolarHBondContact O-N 2.77Å; S150-V153 PolarHBondContact O-N 2.66Å; S150-E154 WeakPolarHBondContact O-CB 3.15Å; S150-E154 PolarHBondContact O-N 3.34Å |
| 151 | E | 84.4 | Confident | 76.6 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.8 | -176.8 | 178.6 | 176.4 | 0 | 0 | 111.2 | R147 L148 E154 Q155 | R147-E151 WeakPolarHBondContact O-CB 3.25Å; R147-E151 PolarHBondContact O-N 3.2Å; L148-E151 PolarHBondContact O-N 3.04Å; E151-E154 PolarHBondContact O-N 2.77Å; E151-Q155 HydrophobicContact CG-CG 4.28Å; E151-Q155 WeakPolarHBondContact O-CB 3.43Å; E151-Q155 VanDerWaalsContact O-CG 3.26Å; E151-Q155 WeakPolarHBondContact O-CG 3.47Å; E151-Q155 PolarHBondContact O-N 3.15Å; E151-Q155 PolarHBondContact OE1-NE2 2.82Å |
| 152 | I | 82.8 | Confident | 73.8 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 178 | -69.3 | 165.7 | 0 | 0 | 0 | 111.3 | I100 Q107 I111 L148 L149 S150 E154 C156 | I100-I152 HydrophobicContact CG1-CG2 4.05Å; Q107-I152 HydrophobicContact CG-CD1 4.34Å; I111-I152 HydrophobicContact CD1-CD1 3.39Å; I111-I152 HydrophobicContact CG1-CD1 3.74Å; L148-I152 WeakPolarHBondContact O-CG1 3.32Å; L148-I152 PolarHBondContact O-N 2.88Å; L149-I152 PolarHBondContact O-N 2.86Å; S150-I152 PolarHBondContact O-N 2.77Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 3.01Å; I152-C156 VanDerWaalsContact O-CB 3.25Å; I152-C156 WeakPolarHBondContact O-CB 3.45Å; I152-C156 PolarHBondContact O-N 3.32Å; I152-C156 PolarHBondContact O-SG 3Å |
| 153 | V | 81.6 | Confident | 71.4 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 172.5 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | V92 P93 M96 I100 L149 S150 R157 | V92-V153 HydrophobicContact CG1-CG2 4.32Å; P93-V153 HydrophobicContact CG-CG1 4.23Å; M96-V153 HydrophobicContact CB-CG2 4.34Å; I100-V153 HydrophobicContact CD1-CG2 3.7Å; I100-V153 HydrophobicContact CG1-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CB 3.42Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.46Å; L149-V153 PolarHBondContact O-N 2.9Å; S150-V153 PolarHBondContact O-N 2.66Å; V153-R157 VanDerWaalsContact O-CB 3.29Å; V153-R157 WeakPolarHBondContact O-CB 3.33Å; V153-R157 PolarHBondContact O-N 2.87Å |
| 154 | E | 76.1 | Confident | 69.1 | Low | 110 Ų | 110 | 76.9 Ų | 76.9 | 51% | 0.514 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72 | -47.8 | 179.6 | -174.5 | 160.1 | -151.3 | 0 | 0 | 112.2 | S150 E151 I152 C156 R157 Y158 | S150-E154 WeakPolarHBondContact O-CB 3.15Å; S150-E154 PolarHBondContact O-N 3.34Å; E151-E154 PolarHBondContact O-N 2.77Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 3.01Å; E154-C156 VanDerWaalsContact C-N 3.27Å; E154-C156 PolarHBondContact O-N 3.05Å; E154-R157 WeakPolarHBondContact O-CA 3.46Å; E154-R157 WeakPolarHBondContact O-CB 3.42Å; E154-R157 PolarHBondContact O-N 3.43Å; E154-Y158 HydrophobicContact CG-CD2 4.07Å; E154-Y158 HydrophobicContact CG-CE2 3.68Å; E154-Y158 WeakPolarHBondContact O-CD2 3.41Å; E154-Y158 PolarHBondContact O-N 3.04Å |
| 155 | Q | 69.3 | Low | 66.4 | Low | 108 Ų | 108 | 80.6 Ų | 80.6 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.5 | -43.1 | 171.3 | -71.6 | 178.9 | 11.2 | 0 | 0 | 111.3 | E151 Y158 G159 | E151-Q155 HydrophobicContact CG-CG 4.28Å; E151-Q155 WeakPolarHBondContact O-CB 3.43Å; E151-Q155 VanDerWaalsContact O-CG 3.26Å; E151-Q155 WeakPolarHBondContact O-CG 3.47Å; E151-Q155 PolarHBondContact O-N 3.15Å; E151-Q155 PolarHBondContact OE1-NE2 2.82Å; Q155-Y158 PolarHBondContact O-N 3.38Å; Q155-G159 PolarHBondContact O-N 3.46Å |
| 156 | C | 61.4 | Low | 64.1 | Low | 16 Ų | 16 | 89.4 Ų | 89.4 | 11% | 0.108 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -72.7 | -29 | 176.9 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | M96 F99 I152 E154 Y158 G159 | M96-C156 HydrophobicContact CE-CB 4.25Å; M96-C156 HydrophobicContact SD-CB 3.58Å; M96-C156 VanDerWaalsContact SD-CB 3.58Å; F99-C156 VanDerWaalsContact CB-SG 3.51Å; I152-C156 VanDerWaalsContact O-CB 3.25Å; I152-C156 WeakPolarHBondContact O-CB 3.45Å; I152-C156 PolarHBondContact O-N 3.32Å; I152-C156 PolarHBondContact O-SG 3Å; E154-C156 VanDerWaalsContact C-N 3.27Å; E154-C156 PolarHBondContact O-N 3.05Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 3.02Å; C156-G159 WeakPolarHBondContact O-CA 3.44Å; C156-G159 PolarHBondContact O-N 3.04Å |
| 157 | R | 56.3 | Low | 61.7 | Low | 192 Ų | 192 | 94.5 Ų | 94.5 | 73% | 0.725 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.8 | -29.4 | 171.8 | -169.6 | 178.3 | -173.9 | 176.4 | 2.6 | 112.2 | M96 V153 E154 G159 | M96-R157 HydrophobicContact CE-CB 4.21Å; V153-R157 VanDerWaalsContact O-CB 3.29Å; V153-R157 WeakPolarHBondContact O-CB 3.33Å; V153-R157 PolarHBondContact O-N 2.87Å; E154-R157 WeakPolarHBondContact O-CA 3.46Å; E154-R157 WeakPolarHBondContact O-CB 3.42Å; E154-R157 PolarHBondContact O-N 3.43Å; R157-G159 VanDerWaalsContact C-N 3.27Å |
| 158 | Y | 51.9 | Low | 59.8 | Low | 140 Ų | 140 | 90.6 Ų | 90.6 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.6 | 169.5 | -66.5 | -63.6 | 0 | 0 | 0 | 114.2 | E154 Q155 C156 Q174 | E154-Y158 HydrophobicContact CG-CD2 4.07Å; E154-Y158 HydrophobicContact CG-CE2 3.68Å; E154-Y158 WeakPolarHBondContact O-CD2 3.41Å; E154-Y158 PolarHBondContact O-N 3.04Å; Q155-Y158 PolarHBondContact O-N 3.38Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 3.02Å; Y158-Q174 WeakPolarHBondContact O-CG 3.12Å; Y158-Q174 PolarHBondContact O-NE2 2.85Å; Y158-Q174 PolarHBondContact O-OE1 3.33Å |
| 159 | G | 42.4 | Very low | 58.3 | Low | 15 Ų | 15 | 93.2 Ų | 93.2 | 16% | 0.155 | 49% | 0.49 | C | S | . | . | trans | 96.4 | 123.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q155 C156 R157 | Q155-G159 PolarHBondContact O-N 3.46Å; C156-G159 WeakPolarHBondContact O-CA 3.44Å; C156-G159 PolarHBondContact O-N 3.04Å; R157-G159 VanDerWaalsContact C-N 3.27Å | ||
| 160 | P | 46.2 | Very low | 57.1 | Low | 50 Ų | 50 | 97.4 Ų | 97.4 | 33% | 0.325 | 52% | 0.519 | S | S | . | . | trans | -69 | 140.2 | -171.5 | 27.6 | -36.2 | 0 | 0 | 0 | 113.5 | F99 R221 | F99-P160 HydrophobicContact CD1-CB 3.98Å; F99-P160 HydrophobicContact CE1-CB 3.52Å; F99-P160 HydrophobicContact CE1-CG 3.68Å; F99-P160 HydrophobicContact CZ-CB 4.06Å; F99-P160 HydrophobicContact CZ-CG 3.7Å; P160-R221 PolarHBondContact O-NH2 3Å | ||
| 161 | G | 42.3 | Very low | 56.5 | Low | 42 Ų | 42 | 96.2 Ų | 96.2 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | trans | -163.4 | 65.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | H163 | G161-H163 PolarHBondContact O-N 3.2Š| ||
| 162 | F | 36.8 | Very low | 56.1 | Low | 143 Ų | 143 | 94.2 Ų | 94.2 | 63% | 0.627 | 50% | 0.502 | S | S | * | . | trans | -23.6 | 117 | -173.8 | -62.6 | -91.4 | 0 | 0 | 0 | 115.9 | F99 | F99-F162 HydrophobicContact CE1-CZ 4.5Š| ||
| 163 | H | 41.3 | Very low | 55.9 | Low | 175 Ų | 175 | 95.5 Ų | 95.5 | 81% | 0.81 | 51% | 0.508 | S | S | * | . | trans | -91.1 | 110 | 151.1 | -94.5 | 42.8 | 0 | 0 | 0 | 108.9 | G161 | G161-H163 PolarHBondContact O-N 3.2Š| ||
| 164 | N | 45.5 | Very low | 55.7 | Low | 99 Ų | 99 | 96.8 Ų | 96.8 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | trans | 180 | 157 | 140.3 | -93.9 | -86.6 | 0 | 0 | 0 | 104.2 | ||||
| 165 | D | 35.7 | Very low | 56.2 | Low | 160 Ų | 160 | 92.3 Ų | 92.3 | 86% | 0.856 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 74.8 | 67.1 | -172.9 | -52.6 | -32.2 | 0 | 0 | 0 | 117.6 | D167 | D165-D167 PolarHBondContact O-N 3.1Š|
| 166 | M | 43.6 | Very low | 56.9 | Low | 186 Ų | 186 | 92.8 Ų | 92.8 | 92% | 0.916 | 50% | 0.497 | S | S | * | . | S | Bend | 56.5 | 44.1 | 127.4 | -126.3 | -56.9 | 170.6 | 0 | 0 | 121 | |||
| 167 | D | 42.2 | Very low | 58 | Low | 156 Ų | 156 | 92 Ų | 92 | 83% | 0.834 | 49% | 0.492 | S | S | * | . | trans | -152.5 | 107.4 | 144.3 | -140.8 | -46.5 | 0 | 0 | 0 | 112.4 | D165 N169 | D165-D167 PolarHBondContact O-N 3.1Å; D167-N169 PolarHBondContact O-N 2.72Å | ||
| 168 | G | 51.8 | Low | 59.4 | Low | 82 Ų | 82 | 84.7 Ų | 84.7 | 85% | 0.845 | 47% | 0.469 | S | S | * | . | trans | -100.3 | 69.7 | -157.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 169 | N | 56.3 | Low | 60.6 | Low | 90 Ų | 90 | 79.6 Ų | 79.6 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | trans | -139 | -7.1 | 172.2 | -155.5 | 61.8 | 0 | 0 | 0 | 117.5 | D167 D225 P226 | D167-N169 PolarHBondContact O-N 2.72Å; N169-D225 PolarHBondContact ND2-OD1 2.81Å; N169-D225 VanDerWaalsContact O-CA 3.29Å; N169-D225 WeakPolarHBondContact O-CA 3.28Å; N169-P226 WeakPolarHBondContact O-CD 3.31Å | ||
| 170 | S | 64 | Low | 62.4 | Low | 87 Ų | 87 | 85.2 Ų | 85.2 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | trans | -108.2 | 124.8 | -178.9 | -86.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 171 | S | 74.9 | Confident | 64.1 | Low | 28 Ų | 28 | 83.6 Ų | 83.6 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 160.5 | 175.4 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | T223 G224 P226 V229 | S171-T223 WeakPolarHBondContact O-CA 3.3Å; S171-G224 WeakPolarHBondContact CA-O 3.38Å; S171-G224 PolarHBondContact N-O 3.38Å; S171-G224 PolarHBondContact O-N 2.93Å; S171-G224 VanDerWaalsContact O-O 3.05Å; S171-G224 PolarHBondContact OG-O 2.9Å; S171-P226 WeakPolarHBondContact OG-CA 3.41Å; S171-V229 WeakPolarHBondContact OG-CB 3.17Å; S171-V229 WeakPolarHBondContact OG-CG2 3.29Å |
| 172 | I | 76.2 | Confident | 66 | Low | 56 Ų | 56 | 82.7 Ų | 82.7 | 29% | 0.287 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.1 | 170.3 | -65.9 | 147.2 | 0 | 0 | 0 | 107.5 | R221 I222 T223 | I172-R221 HydrophobicContact CG2-CG 3.88Å; I172-I222 CarbonylContact C-O 3.54Å; I172-I222 WeakPolarHBondContact CA-O 3.3Å; I172-T223 HydrophobicContact CG1-CG2 3.77Å |
| 173 | Q | 77.7 | Confident | 68.2 | Low | 45 Ų | 45 | 78.2 Ų | 78.2 | 21% | 0.21 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.9 | 168.4 | -66.5 | -170.8 | 31.1 | 0 | 0 | 109.7 | I222 V229 Q230 | Q173-I222 PolarHBondContact N-O 3.32Å; Q173-I222 PolarHBondContact O-N 3.1Å; Q173-V229 HydrophobicContact CB-CG1 3.69Å; Q173-V229 HydrophobicContact CG-CG1 3.61Å; Q173-Q230 VanDerWaalsContact NE2-OE1 3.15Å |
| 174 | Q | 78.4 | Confident | 70.2 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 24% | 0.243 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 143.4 | 168.7 | -68.8 | -173.2 | -10.4 | 0 | 0 | 110.2 | Y158 L220 R221 | Y158-Q174 WeakPolarHBondContact O-CG 3.12Å; Y158-Q174 PolarHBondContact O-NE2 2.85Å; Y158-Q174 PolarHBondContact O-OE1 3.33Å; Q174-L220 CarbonylContact C-O 3.6Å; Q174-L220 WeakPolarHBondContact CA-O 3.25Å; Q174-R221 HydrophobicContact CG-CB 4.35Å; Q174-R221 HydrophobicContact CG-CG 4.47Å |
| 175 | I | 85.6 | Confident | 72.1 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.087 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.5 | 171.1 | 59 | 178.5 | 0 | 0 | 0 | 110.8 | I177 P219 L220 I222 R233 V236 | I175-I177 HydrophobicContact CD1-CD1 4.28Å; I175-I177 HydrophobicContact CG1-CD1 4.27Å; I175-I177 HydrophobicContact CG1-CG1 4.22Å; I175-P219 WeakPolarHBondContact O-CA 3.22Å; I175-L220 HydrophobicContact CD1-CD2 4.32Å; I175-L220 HydrophobicContact CG1-CB 4.07Å; I175-L220 HydrophobicContact CG1-CD2 4.43Å; I175-L220 PolarHBondContact N-O 3.01Å; I175-L220 PolarHBondContact O-N 3.41Å; I175-I222 HydrophobicContact CD1-CD1 3.9Å; I175-I222 HydrophobicContact CG1-CD1 4.32Å; I175-R233 HydrophobicContact CG2-CG 3.91Å; I175-V236 HydrophobicContact CD1-CB 3.81Å; I175-V236 HydrophobicContact CD1-CG1 3.56Å |
| 176 | L | 84.4 | Confident | 74.5 | Confident | 118 Ų | 118 | 62.5 Ų | 62.5 | 62% | 0.618 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.9 | 174.8 | -64.4 | 178.4 | 0 | 0 | 0 | 109.5 | D217 P219 | L176-D217 HydrophobicContact CB-CB 3.91Å; L176-D217 HydrophobicContact CD2-CB 4.43Å; L176-P219 HydrophobicContact CD2-CB 4.34Å |
| 177 | I | 85.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116 | -177.6 | -56.1 | -167.6 | 0 | 0 | 0 | 109 | I175 A179 K181 V185 M206 K218 L220 V236 I240 | I175-I177 HydrophobicContact CD1-CD1 4.28Å; I175-I177 HydrophobicContact CG1-CD1 4.27Å; I175-I177 HydrophobicContact CG1-CG1 4.22Å; I177-A179 PolarHBondContact O-N 3.21Å; I177-K181 HydrophobicContact CG2-CB 4.31Å; I177-V185 HydrophobicContact CD1-CB 4.35Å; I177-V185 HydrophobicContact CD1-CG1 3.94Å; I177-V185 HydrophobicContact CD1-CG2 4.12Å; I177-V185 HydrophobicContact CG2-CG2 3.96Å; I177-M206 HydrophobicContact CD1-CE 4.26Å; I177-K218 WeakPolarHBondContact CB-O 3.28Å; I177-K218 PolarHBondContact N-O 2.94Å; I177-K218 PolarHBondContact O-N 2.88Å; I177-L220 HydrophobicContact CD1-CB 3.48Å; I177-L220 VanDerWaalsContact CD1-CB 3.48Å; I177-L220 HydrophobicContact CD1-CD2 3.71Å; I177-L220 HydrophobicContact CD1-CG 4.15Å; I177-L220 HydrophobicContact CG1-CB 4.1Å; I177-V236 HydrophobicContact CD1-CG1 3.7Å; I177-I240 HydrophobicContact CB-CD1 4.39Å; I177-I240 HydrophobicContact CD1-CD1 4.33Å; I177-I240 HydrophobicContact CG1-CD1 4.06Å; I177-I240 HydrophobicContact CG2-CD1 3.94Å; I177-I240 HydrophobicContact CG2-CG1 4.47Å |
| 178 | P | 84.8 | Confident | 78.2 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | trans | -51.5 | 138.8 | -179.8 | -31.9 | 37.5 | 0 | 0 | 0 | 113.9 | N180 K181 V182 D217 | P178-N180 WeakPolarHBondContact CB-OD1 3.35Å; P178-N180 PolarHBondContact O-N 3.39Å; P178-N180 VanDerWaalsContact O-N 3.12Å; P178-K181 HydrophobicContact CB-CB 4.34Å; P178-K181 HydrophobicContact CB-CG 4.05Å; P178-K181 HydrophobicContact CG-CG 4.5Å; P178-K181 CarbonylContact O-C 3.56Å; P178-K181 WeakPolarHBondContact O-CA 3.48Å; P178-K181 WeakPolarHBondContact O-CB 3.47Å; P178-K181 PolarHBondContact O-N 2.81Å; P178-V182 PolarHBondContact O-N 2.88Å; P178-D217 VanDerWaalsContact CA-OD1 3.25Å; P178-D217 WeakPolarHBondContact CA-OD1 3.17Å | ||
| 179 | A | 77 | Confident | 79.5 | Confident | 33 Ų | 33 | 55 Ų | 55 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I177 V182 G215 | I177-A179 PolarHBondContact O-N 3.21Å; A179-V182 VanDerWaalsContact O-CG1 3.22Å; A179-V182 WeakPolarHBondContact O-CG1 3.35Å; A179-G215 WeakPolarHBondContact CB-O 3.25Å |
| 180 | N | 80.9 | Confident | 80.8 | Confident | 133 Ų | 133 | 51.7 Ų | 51.7 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.2 | 173.5 | 62.4 | -19.8 | 0 | 0 | 0 | 113.8 | P178 | P178-N180 WeakPolarHBondContact CB-OD1 3.35Å; P178-N180 PolarHBondContact O-N 3.39Å; P178-N180 VanDerWaalsContact O-N 3.12Å |
| 181 | K | 81.8 | Confident | 81.8 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -15.5 | 177.8 | -58.4 | -74.8 | 179.7 | 144.9 | 0 | 112.6 | I177 P178 G183 L184 V185 I240 K243 D244 | I177-K181 HydrophobicContact CG2-CB 4.31Å; P178-K181 HydrophobicContact CB-CB 4.34Å; P178-K181 HydrophobicContact CB-CG 4.05Å; P178-K181 HydrophobicContact CG-CG 4.5Å; P178-K181 CarbonylContact O-C 3.56Å; P178-K181 WeakPolarHBondContact O-CA 3.48Å; P178-K181 WeakPolarHBondContact O-CB 3.47Å; P178-K181 PolarHBondContact O-N 2.81Å; K181-G183 VanDerWaalsContact C-N 3.31Å; K181-G183 PolarHBondContact O-N 2.8Å; K181-L184 VanDerWaalsContact O-CB 3.22Å; K181-L184 WeakPolarHBondContact O-CB 3.48Å; K181-L184 PolarHBondContact O-N 2.83Å; K181-V185 PolarHBondContact O-N 2.82Å; K181-I240 HydrophobicContact CB-CG1 4.46Å; K181-I240 HydrophobicContact CD-CG2 4.4Å; K181-I240 HydrophobicContact CG-CG2 4.16Å; K181-I240 PolarHBondContact NZ-O 3.31Å; K181-K243 PolarHBondContact NZ-O 2.81Å; K181-D244 WeakPolarHBondContact CE-OD2 3.44Å; K181-D244 VanDerWaalsContact NZ-CA 3.31Å; K181-D244 IonicContact NZ-OD2 3.82Å; K181-D244 PolarHBondContact NZ-OD2 3.3Å |
| 182 | V | 82.3 | Confident | 82.4 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54 | -43.7 | -174.7 | 84.8 | 0 | 0 | 0 | 0 | 113.5 | P178 A179 L184 V185 I186 M206 K218 | P178-V182 PolarHBondContact O-N 2.88Å; A179-V182 VanDerWaalsContact O-CG1 3.22Å; A179-V182 WeakPolarHBondContact O-CG1 3.35Å; V182-L184 PolarHBondContact O-N 2.82Å; V182-V185 PolarHBondContact O-N 2.87Å; V182-I186 HydrophobicContact CG2-CD1 4.12Å; V182-I186 WeakPolarHBondContact O-CG1 3.5Å; V182-I186 PolarHBondContact O-N 3.37Å; V182-M206 HydrophobicContact CG2-CE 3.62Å; V182-M206 HydrophobicContact CG2-SD 3.12Å; V182-M206 WeakPolarHBondContact CG2-SD 3.14Å; V182-K218 HydrophobicContact CG2-CB 4.22Å; V182-K218 HydrophobicContact CG2-CD 3.97Å |
| 183 | G | 82.1 | Confident | 82.9 | Confident | 49 Ų | 49 | 50 Ų | 50 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.1 | -15.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K181 G187 | K181-G183 VanDerWaalsContact C-N 3.31Å; K181-G183 PolarHBondContact O-N 2.8Å; G183-G187 WeakPolarHBondContact O-CA 3.34Å; G183-G187 PolarHBondContact O-N 3.28Å |
| 184 | L | 83.5 | Confident | 83.4 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -77.2 | -43.7 | 172 | -175.1 | 68.5 | 0 | 0 | 0 | 110.9 | K181 V182 L239 K243 | K181-L184 VanDerWaalsContact O-CB 3.22Å; K181-L184 WeakPolarHBondContact O-CB 3.48Å; K181-L184 PolarHBondContact O-N 2.83Å; V182-L184 PolarHBondContact O-N 2.82Å; L184-L239 HydrophobicContact CD2-CD2 4.11Å; L184-L239 HydrophobicContact CD2-CG 4.47Å; L184-L239 WeakPolarHBondContact CD2-O 3.22Å; L184-L239 HydrophobicContact CG-CD2 3.85Å; L184-L239 HydrophobicContact CG-CG 4.45Å; L184-K243 HydrophobicContact CD1-CD 3.75Å; L184-K243 HydrophobicContact CD2-CB 3.86Å; L184-K243 HydrophobicContact CD2-CD 3.61Å; L184-K243 HydrophobicContact CD2-CG 4.37Å; L184-K243 HydrophobicContact CG-CD 4.32Å |
| 185 | V | 85 | Confident | 83.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.4 | -40.8 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 111 | I177 K181 V182 I193 L220 V236 L239 I240 | I177-V185 HydrophobicContact CD1-CB 4.35Å; I177-V185 HydrophobicContact CD1-CG1 3.94Å; I177-V185 HydrophobicContact CD1-CG2 4.12Å; I177-V185 HydrophobicContact CG2-CG2 3.96Å; K181-V185 PolarHBondContact O-N 2.82Å; V182-V185 PolarHBondContact O-N 2.87Å; V185-I193 WeakPolarHBondContact O-CB 3.37Å; V185-I193 PolarHBondContact O-N 2.55Å; V185-I193 VanDerWaalsContact O-N 3.12Å; V185-L220 HydrophobicContact CG1-CD2 4.27Å; V185-V236 HydrophobicContact CG1-CG1 3.87Å; V185-V236 HydrophobicContact CG1-CG2 4.4Å; V185-V236 HydrophobicContact CG2-CG1 4.1Å; V185-L239 HydrophobicContact CB-CD2 4.27Å; V185-L239 HydrophobicContact CG2-CD2 3.7Å; V185-I240 HydrophobicContact CG2-CD1 4.37Å; V185-I240 HydrophobicContact CG2-CG1 4.02Å |
| 186 | I | 86 | Confident | 84 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 29% | 0.292 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 172.3 | -61.1 | 170.8 | 0 | 0 | 0 | 110.6 | V182 G190 T192 I193 M206 | V182-I186 HydrophobicContact CG2-CD1 4.12Å; V182-I186 WeakPolarHBondContact O-CG1 3.5Å; V182-I186 PolarHBondContact O-N 3.37Å; I186-G190 CarbonylContact O-C 3.59Å; I186-G190 VanDerWaalsContact O-C 3.25Å; I186-G190 VanDerWaalsContact O-CA 3.3Å; I186-G190 WeakPolarHBondContact O-CA 3.37Å; I186-T192 PolarHBondContact O-N 2.9Å; I186-T192 VanDerWaalsContact O-N 3.12Å; I186-I193 HydrophobicContact CB-CG2 4.49Å; I186-I193 HydrophobicContact CG2-CG2 4.2Å; I186-I193 PolarHBondContact O-N 3.19Å; I186-I193 VanDerWaalsContact O-N 3.1Å; I186-M206 HydrophobicContact CD1-SD 3.97Å |
| 187 | G | 82.6 | Confident | 84.1 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | trans | 75.6 | 170.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G183 G189 G190 | G183-G187 WeakPolarHBondContact O-CA 3.34Å; G183-G187 PolarHBondContact O-N 3.28Å; G187-G189 PolarHBondContact O-N 3Å; G187-G190 PolarHBondContact O-N 3.23Å | ||
| 188 | K | 81.8 | Confident | 84.2 | Confident | 162 Ų | 162 | 59.6 Ų | 59.6 | 70% | 0.704 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.1 | 124.4 | 175.3 | -61.7 | -177.9 | -179.7 | -177.7 | 0 | 108.8 | G190 E191 | K188-G190 PolarHBondContact O-N 3.38Å; K188-E191 VanDerWaalsContact O-CB 3.3Å; K188-E191 WeakPolarHBondContact O-CB 3.33Å; K188-E191 PolarHBondContact O-N 2.9Å |
| 189 | G | 78.6 | Confident | 84.2 | Confident | 93 Ų | 93 | 66.7 Ų | 66.7 | 96% | 0.959 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | 64.6 | 17.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | G187 E191 | G187-G189 PolarHBondContact O-N 3Å; G189-E191 VanDerWaalsContact C-N 3.26Å; G189-E191 PolarHBondContact O-N 2.92Å |
| 190 | G | 83.1 | Confident | 84.6 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | 77.8 | 6.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I186 G187 K188 T192 I193 K194 | I186-G190 CarbonylContact O-C 3.59Å; I186-G190 VanDerWaalsContact O-C 3.25Å; I186-G190 VanDerWaalsContact O-CA 3.3Å; I186-G190 WeakPolarHBondContact O-CA 3.37Å; G187-G190 PolarHBondContact O-N 3.23Å; K188-G190 PolarHBondContact O-N 3.38Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 3.42Å; G190-I193 VanDerWaalsContact O-CG2 3.27Å; G190-I193 WeakPolarHBondContact O-CG2 3.36Å; G190-K194 VanDerWaalsContact O-CB 3.31Å; G190-K194 WeakPolarHBondContact O-CB 3.48Å; G190-K194 PolarHBondContact O-N 2.93Å |
| 191 | E | 86 | Confident | 84.8 | Confident | 103 Ų | 103 | 61.5 Ų | 61.5 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.4 | -44.1 | -178.7 | -178.5 | -176.8 | -160.3 | 0 | 0 | 113 | K188 G189 K194 Q195 R252 | K188-E191 VanDerWaalsContact O-CB 3.3Å; K188-E191 WeakPolarHBondContact O-CB 3.33Å; K188-E191 PolarHBondContact O-N 2.9Å; G189-E191 VanDerWaalsContact C-N 3.26Å; G189-E191 PolarHBondContact O-N 2.92Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-Q195 WeakPolarHBondContact O-CB 3.38Å; E191-Q195 PolarHBondContact O-N 3.48Å; E191-R252 IonicContact OE1-NH1 3.58Å; E191-R252 IonicContact OE2-CZ 2.72Å; E191-R252 IonicContact OE2-NH1 3.75Å; E191-R252 PolarHBondContact OE2-NH1 3.06Å; E191-R252 IonicContact OE2-NH2 3.95Å; E191-R252 PolarHBondContact OE2-NH2 2.98Å |
| 192 | T | 86.4 | Confident | 85.1 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76 | -41.4 | -173.9 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | I186 G190 K194 Q195 L196 L239 | I186-T192 PolarHBondContact O-N 2.9Å; I186-T192 VanDerWaalsContact O-N 3.12Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 3.42Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 3.48Å; T192-Q195 PolarHBondContact O-N 2.82Å; T192-L196 HydrophobicContact CG2-CD1 4.16Å; T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 VanDerWaalsContact O-CG 3.28Å; T192-L196 WeakPolarHBondContact O-CG 3.46Å; T192-L196 PolarHBondContact O-N 2.66Å; T192-L239 HydrophobicContact CG2-CD1 4.19Å |
| 193 | I | 88.3 | Confident | 85.2 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.1 | -32.1 | 173 | -171.9 | 170.1 | 0 | 0 | 0 | 111.7 | V185 I186 G190 Q197 M204 L220 | V185-I193 WeakPolarHBondContact O-CB 3.37Å; V185-I193 PolarHBondContact O-N 2.55Å; V185-I193 VanDerWaalsContact O-N 3.12Å; I186-I193 HydrophobicContact CB-CG2 4.49Å; I186-I193 HydrophobicContact CG2-CG2 4.2Å; I186-I193 PolarHBondContact O-N 3.19Å; I186-I193 VanDerWaalsContact O-N 3.1Å; G190-I193 VanDerWaalsContact O-CG2 3.27Å; G190-I193 WeakPolarHBondContact O-CG2 3.36Å; I193-Q197 VanDerWaalsContact O-CG 3.25Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.19Å; I193-Q197 VanDerWaalsContact O-N 3.11Å; I193-Q197 PolarHBondContact O-NE2 3.34Å; I193-M204 HydrophobicContact CD1-CB 3.93Å; I193-M204 HydrophobicContact CG1-CB 3.85Å; I193-M204 HydrophobicContact CG1-SD 4.33Å; I193-L220 HydrophobicContact CD1-CD1 3.73Å |
| 194 | K | 88.1 | Confident | 85.5 | Confident | 139 Ų | 139 | 63.3 Ų | 63.3 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.9 | -46.9 | 172.3 | -173.3 | -177.6 | 175.4 | -172 | 0 | 111.4 | G190 E191 T192 L196 Q197 E198 | G190-K194 VanDerWaalsContact O-CB 3.31Å; G190-K194 WeakPolarHBondContact O-CB 3.48Å; G190-K194 PolarHBondContact O-N 2.93Å; E191-K194 PolarHBondContact O-N 3.33Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 3.48Å; K194-L196 VanDerWaalsContact C-N 3.33Å; K194-L196 PolarHBondContact O-N 2.89Å; K194-Q197 WeakPolarHBondContact O-CB 3.37Å; K194-Q197 PolarHBondContact O-N 3.39Å; K194-E198 WeakPolarHBondContact O-CB 3.26Å; K194-E198 PolarHBondContact O-N 2.9Å |
| 195 | Q | 87.4 | Confident | 85.6 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 178 | -170.7 | -178.5 | 43.5 | 0 | 0 | 112.3 | E191 T192 R199 | E191-Q195 WeakPolarHBondContact O-CB 3.38Å; E191-Q195 PolarHBondContact O-N 3.48Å; T192-Q195 PolarHBondContact O-N 2.82Å; Q195-R199 WeakPolarHBondContact O-CB 3.46Å; Q195-R199 PolarHBondContact O-N 3.48Å |
| 196 | L | 88.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 174 | -77.4 | 165.2 | 0 | 0 | 0 | 111.8 | T192 K194 T200 M204 L235 V236 | T192-L196 HydrophobicContact CG2-CD1 4.16Å; T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 VanDerWaalsContact O-CG 3.28Å; T192-L196 WeakPolarHBondContact O-CG 3.46Å; T192-L196 PolarHBondContact O-N 2.66Å; K194-L196 VanDerWaalsContact C-N 3.33Å; K194-L196 PolarHBondContact O-N 2.89Å; L196-T200 WeakPolarHBondContact O-CB 3.47Å; L196-T200 WeakPolarHBondContact O-CG2 3.34Å; L196-T200 PolarHBondContact O-N 3.25Å; L196-T200 PolarHBondContact O-OG1 2.81Å; L196-M204 HydrophobicContact CB-CE 3.83Å; L196-M204 HydrophobicContact CB-SD 3.94Å; L196-L235 HydrophobicContact CD2-CB 4.25Å; L196-V236 HydrophobicContact CD1-CG2 4.12Å |
| 197 | Q | 86.3 | Confident | 85.1 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 173.9 | -75.2 | 172.7 | 94.8 | 0 | 0 | 111.8 | I193 K194 R199 T200 G201 V202 M204 | I193-Q197 VanDerWaalsContact O-CG 3.25Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.19Å; I193-Q197 VanDerWaalsContact O-N 3.11Å; I193-Q197 PolarHBondContact O-NE2 3.34Å; K194-Q197 WeakPolarHBondContact O-CB 3.37Å; K194-Q197 PolarHBondContact O-N 3.39Å; Q197-R199 PolarHBondContact O-N 2.91Å; Q197-T200 PolarHBondContact O-N 3.11Å; Q197-G201 WeakPolarHBondContact O-CA 3.3Å; Q197-G201 PolarHBondContact O-N 3.05Å; Q197-V202 VanDerWaalsContact CA-O 3.28Å; Q197-V202 WeakPolarHBondContact CA-O 3.35Å; Q197-V202 WeakPolarHBondContact CB-O 3.48Å; Q197-V202 VanDerWaalsContact CG-O 3.25Å; Q197-V202 WeakPolarHBondContact CG-O 3.42Å; Q197-V202 PolarHBondContact O-N 3.21Å; Q197-M204 VanDerWaalsContact CD-N 3.27Å; Q197-M204 HydrophobicContact CG-CB 3.56Å; Q197-M204 HydrophobicContact CG-CE 4.35Å; Q197-M204 HydrophobicContact CG-CG 3.54Å; Q197-M204 HydrophobicContact CG-SD 4.04Å; Q197-M204 PolarHBondContact OE1-O 3.33Å |
| 198 | E | 87.5 | Confident | 84 | Confident | 150 Ų | 150 | 70.7 Ų | 70.7 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | 179.7 | -177.4 | 171.4 | -168.2 | 0 | 0 | 112.2 | K194 T200 | K194-E198 WeakPolarHBondContact O-CB 3.26Å; K194-E198 PolarHBondContact O-N 2.9Å; E198-T200 VanDerWaalsContact C-N 3.32Å; E198-T200 PolarHBondContact O-N 3.43Å |
| 199 | R | 85.2 | Confident | 82.6 | Confident | 186 Ų | 186 | 69.4 Ų | 69.4 | 70% | 0.702 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.5 | -30.2 | -179.8 | -178.3 | 174.7 | -178.1 | 167.1 | 4.1 | 113.8 | Q195 Q197 | Q195-R199 WeakPolarHBondContact O-CB 3.46Å; Q195-R199 PolarHBondContact O-N 3.48Å; Q197-R199 PolarHBondContact O-N 2.91Å |
| 200 | T | 85.7 | Confident | 81.2 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.049 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -103.9 | -14.1 | -175.6 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | L196 Q197 E198 V202 K228 A232 L235 | L196-T200 WeakPolarHBondContact O-CB 3.47Å; L196-T200 WeakPolarHBondContact O-CG2 3.34Å; L196-T200 PolarHBondContact O-N 3.25Å; L196-T200 PolarHBondContact O-OG1 2.81Å; Q197-T200 PolarHBondContact O-N 3.11Å; E198-T200 VanDerWaalsContact C-N 3.32Å; E198-T200 PolarHBondContact O-N 3.43Å; T200-V202 VanDerWaalsContact C-N 3.34Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.35Å; T200-K228 WeakPolarHBondContact O-CB 2.82Å; T200-K228 VanDerWaalsContact O-CD 3.3Å; T200-K228 WeakPolarHBondContact O-CD 3.28Å; T200-K228 WeakPolarHBondContact O-CG 3.27Å; T200-A232 HydrophobicContact CG2-CB 3.98Å; T200-L235 HydrophobicContact CG2-CD1 3.59Å |
| 201 | G | 84.1 | Confident | 79.4 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 33 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q197 | Q197-G201 WeakPolarHBondContact O-CA 3.3Å; Q197-G201 PolarHBondContact O-N 3.05Å |
| 202 | V | 88.5 | Confident | 77.5 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | trans | -124.8 | 158.3 | 176.3 | -45.2 | 0 | 0 | 0 | 0 | 110.4 | Q197 T200 M204 I222 T223 K228 V229 A232 | Q197-V202 VanDerWaalsContact CA-O 3.28Å; Q197-V202 WeakPolarHBondContact CA-O 3.35Å; Q197-V202 WeakPolarHBondContact CB-O 3.48Å; Q197-V202 VanDerWaalsContact CG-O 3.25Å; Q197-V202 WeakPolarHBondContact CG-O 3.42Å; Q197-V202 PolarHBondContact O-N 3.21Å; T200-V202 VanDerWaalsContact C-N 3.34Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.35Å; V202-M204 HydrophobicContact CG2-CE 3.52Å; V202-M204 HydrophobicContact CG2-CG 4.05Å; V202-I222 HydrophobicContact CB-CG2 4.25Å; V202-I222 HydrophobicContact CG2-CG2 3.49Å; V202-I222 VanDerWaalsContact CG2-CG2 3.49Å; V202-T223 WeakPolarHBondContact CB-O 3.38Å; V202-K228 HydrophobicContact CG1-CB 3.44Å; V202-K228 VanDerWaalsContact CG1-CB 3.44Å; V202-V229 HydrophobicContact CB-CG2 4.35Å; V202-V229 HydrophobicContact CG1-CG2 3.94Å; V202-A232 HydrophobicContact CG2-CB 3.82Å | ||
| 203 | Q | 85.8 | Confident | 75.6 | Confident | 108 Ų | 108 | 81 Ų | 81 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 137.1 | 172.4 | -174 | 178 | 11.2 | 0 | 0 | 109.9 | I205 I222 T223 | Q203-I205 HydrophobicContact CG-CG1 4.37Å; Q203-I222 CarbonylContact O-C 3.59Å; Q203-I222 WeakPolarHBondContact O-CA 3.4Å; Q203-T223 PolarHBondContact N-O 3.44Å; Q203-T223 PolarHBondContact O-N 2.9Å |
| 204 | M | 86.9 | Confident | 74 | Confident | 7 Ų | 7 | 87.6 Ų | 87.6 | 3% | 0.034 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.3 | 178.8 | -62.5 | -179.5 | -160.5 | 0 | 0 | 110.3 | I193 L196 Q197 V202 L220 R221 I222 A232 V236 | I193-M204 HydrophobicContact CD1-CB 3.93Å; I193-M204 HydrophobicContact CG1-CB 3.85Å; I193-M204 HydrophobicContact CG1-SD 4.33Å; L196-M204 HydrophobicContact CB-CE 3.83Å; L196-M204 HydrophobicContact CB-SD 3.94Å; Q197-M204 VanDerWaalsContact CD-N 3.27Å; Q197-M204 HydrophobicContact CG-CB 3.56Å; Q197-M204 HydrophobicContact CG-CE 4.35Å; Q197-M204 HydrophobicContact CG-CG 3.54Å; Q197-M204 HydrophobicContact CG-SD 4.04Å; Q197-M204 PolarHBondContact OE1-O 3.33Å; V202-M204 HydrophobicContact CG2-CE 3.52Å; V202-M204 HydrophobicContact CG2-CG 4.05Å; M204-L220 HydrophobicContact CB-CD1 4.32Å; M204-L220 HydrophobicContact SD-CD2 4.43Å; M204-R221 CarbonylContact C-O 3.57Å; M204-R221 WeakPolarHBondContact CA-O 3.46Å; M204-I222 HydrophobicContact CG-CG1 4.29Å; M204-I222 HydrophobicContact CG-CG2 4.19Å; M204-A232 HydrophobicContact CE-CB 3.67Å; M204-V236 HydrophobicContact SD-CG2 4.49Å |
| 205 | I | 85.4 | Confident | 72.3 | Confident | 78 Ų | 78 | 83.7 Ų | 83.7 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.2 | -179.4 | -59.7 | 177.2 | 0 | 0 | 0 | 108.4 | Q203 R221 | Q203-I205 HydrophobicContact CG-CG1 4.37Å; I205-R221 PolarHBondContact N-O 2.93Å; I205-R221 PolarHBondContact O-N 3.23Å |
| 206 | M | 81.4 | Confident | 71.2 | Confident | 27 Ų | 27 | 82.3 Ų | 82.3 | 13% | 0.133 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.6 | 169.3 | -177.2 | 143.2 | -76.7 | 0 | 0 | 110.1 | I177 V182 I186 Q208 K218 L220 | I177-M206 HydrophobicContact CD1-CE 4.26Å; V182-M206 HydrophobicContact CG2-CE 3.62Å; V182-M206 HydrophobicContact CG2-SD 3.12Å; V182-M206 WeakPolarHBondContact CG2-SD 3.14Å; I186-M206 HydrophobicContact CD1-SD 3.97Å; M206-Q208 HydrophobicContact CG-CG 4.2Å; M206-K218 HydrophobicContact CE-CB 4.29Å; M206-K218 HydrophobicContact SD-CB 4.1Å; M206-K218 HydrophobicContact SD-CD 4.32Å; M206-L220 HydrophobicContact CB-CD1 4.25Å; M206-L220 HydrophobicContact CE-CB 3.98Å; M206-L220 HydrophobicContact CE-CD1 4.04Å |
| 207 | I | 79.4 | Confident | 70.7 | Confident | 38 Ų | 38 | 85.1 Ų | 85.1 | 20% | 0.195 | 47% | 0.474 | C | S | . | . | trans | -82.7 | 133.6 | 175.9 | -69.8 | 168.6 | 0 | 0 | 0 | 107.8 | D209 P219 R221 | I207-D209 HydrophobicContact CG2-CB 4.27Å; I207-P219 HydrophobicContact CB-CG 4.03Å; I207-P219 HydrophobicContact CG2-CG 4.08Å; I207-P219 PolarHBondContact N-O 2.85Å; I207-R221 HydrophobicContact CD1-CB 4.01Å | ||
| 208 | Q | 59.6 | Low | 70.5 | Confident | 129 Ų | 129 | 86.1 Ų | 86.1 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | trans | -128.4 | 17.7 | -179 | -60.5 | -165.8 | 85.4 | 0 | 0 | 112.1 | M206 D210 | M206-Q208 HydrophobicContact CG-CG 4.2Å; Q208-D210 PolarHBondContact O-N 2.98Å | ||
| 209 | D | 51.8 | Low | 70.2 | Confident | 134 Ų | 134 | 80.7 Ų | 80.7 | 72% | 0.717 | 46% | 0.455 | S | S | * | . | trans | -91.7 | 16 | -154.3 | -52.1 | -36.7 | 0 | 0 | 0 | 115 | I207 | I207-D209 HydrophobicContact CG2-CB 4.27Š| ||
| 210 | D | 50.2 | Low | 70.3 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -128.6 | 128.7 | 169.8 | -83.6 | -61 | 0 | 0 | 0 | 109.3 | K95 Q208 M212 | K95-D210 IonicContact NZ-OD1 3.54Å; K95-D210 IonicContact NZ-OD2 2.71Å; Q208-D210 PolarHBondContact O-N 2.98Å; D210-M212 PolarHBondContact O-N 3.34Å |
| 211 | P | 45.1 | Very low | 70.3 | Confident | 140 Ų | 140 | 74.2 Ų | 74.2 | 91% | 0.909 | 43% | 0.43 | S | S | * | . | trans | -77.1 | 56.5 | 176.9 | 33.6 | -36.3 | 0 | 0 | 0 | 111.8 | ||||
| 212 | M | 46.8 | Very low | 70.5 | Confident | 132 Ų | 132 | 71.9 Ų | 71.9 | 65% | 0.65 | 41% | 0.406 | S | S | * | . | trans | -84.2 | 146.5 | -179.2 | -150.8 | 144 | 56.2 | 0 | 0 | 110 | D210 | D210-M212 PolarHBondContact O-N 3.34Š| ||
| 213 | P | 46.1 | Very low | 70.4 | Confident | 105 Ų | 105 | 72.8 Ų | 72.8 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | trans | -66.9 | 149.8 | -159.1 | 24.1 | -33.7 | 0 | 0 | 0 | 114.4 | G215 A216 | P213-G215 PolarHBondContact O-N 2.96Å; P213-A216 PolarHBondContact O-N 3.45Å | ||
| 214 | T | 53.8 | Low | 70.4 | Confident | 158 Ų | 158 | 68 Ų | 68 | 97% | 0.969 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 91.2 | -170.5 | -45.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 215 | G | 53.5 | Low | 70.4 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 58% | 0.577 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.4 | -22.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | A179 P213 | A179-G215 WeakPolarHBondContact CB-O 3.25Å; P213-G215 PolarHBondContact O-N 2.96Å |
| 216 | A | 64.8 | Low | 70.3 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -65.6 | 155 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P213 K218 | P213-A216 PolarHBondContact O-N 3.45Å; A216-K218 PolarHBondContact O-N 2.82Å |
| 217 | D | 77.3 | Confident | 70.5 | Confident | 76 Ų | 76 | 75 Ų | 75 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 134.1 | 178.6 | -62.7 | -22.6 | 0 | 0 | 0 | 112 | L176 P178 | L176-D217 HydrophobicContact CB-CB 3.91Å; L176-D217 HydrophobicContact CD2-CB 4.43Å; P178-D217 VanDerWaalsContact CA-OD1 3.25Å; P178-D217 WeakPolarHBondContact CA-OD1 3.17Å |
| 218 | K | 81.4 | Confident | 70.8 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.5 | 178.2 | -72.7 | -169.1 | 162.3 | -163.4 | 0 | 111 | I177 V182 M206 A216 L220 | I177-K218 WeakPolarHBondContact CB-O 3.28Å; I177-K218 PolarHBondContact N-O 2.94Å; I177-K218 PolarHBondContact O-N 2.88Å; V182-K218 HydrophobicContact CG2-CB 4.22Å; V182-K218 HydrophobicContact CG2-CD 3.97Å; M206-K218 HydrophobicContact CE-CB 4.29Å; M206-K218 HydrophobicContact SD-CB 4.1Å; M206-K218 HydrophobicContact SD-CD 4.32Å; A216-K218 PolarHBondContact O-N 2.82Å; K218-L220 PolarHBondContact O-N 3.44Å |
| 219 | P | 81.8 | Confident | 72.2 | Confident | 36 Ų | 36 | 71 Ų | 71 | 23% | 0.234 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.1 | 178.1 | 24.3 | -29.6 | 0 | 0 | 0 | 112.5 | I175 L176 I207 | I175-P219 WeakPolarHBondContact O-CA 3.22Å; L176-P219 HydrophobicContact CD2-CB 4.34Å; I207-P219 HydrophobicContact CB-CG 4.03Å; I207-P219 HydrophobicContact CG2-CG 4.08Å; I207-P219 PolarHBondContact N-O 2.85Å |
| 220 | L | 87.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.8 | 164.6 | -176.3 | 76 | 0 | 0 | 0 | 109.3 | Q174 I175 I177 V185 I193 M204 M206 K218 I222 V236 | Q174-L220 CarbonylContact C-O 3.6Å; Q174-L220 WeakPolarHBondContact CA-O 3.25Å; I175-L220 HydrophobicContact CD1-CD2 4.32Å; I175-L220 HydrophobicContact CG1-CB 4.07Å; I175-L220 HydrophobicContact CG1-CD2 4.43Å; I175-L220 PolarHBondContact N-O 3.01Å; I175-L220 PolarHBondContact O-N 3.41Å; I177-L220 HydrophobicContact CD1-CB 3.48Å; I177-L220 VanDerWaalsContact CD1-CB 3.48Å; I177-L220 HydrophobicContact CD1-CD2 3.71Å; I177-L220 HydrophobicContact CD1-CG 4.15Å; I177-L220 HydrophobicContact CG1-CB 4.1Å; V185-L220 HydrophobicContact CG1-CD2 4.27Å; I193-L220 HydrophobicContact CD1-CD1 3.73Å; M204-L220 HydrophobicContact CB-CD1 4.32Å; M204-L220 HydrophobicContact SD-CD2 4.43Å; M206-L220 HydrophobicContact CB-CD1 4.25Å; M206-L220 HydrophobicContact CE-CB 3.98Å; M206-L220 HydrophobicContact CE-CD1 4.04Å; K218-L220 PolarHBondContact O-N 3.44Å; L220-I222 HydrophobicContact CD2-CD1 4.2Å; L220-I222 HydrophobicContact CD2-CG1 4.07Å; L220-I222 HydrophobicContact CG-CG1 4.26Å; L220-V236 HydrophobicContact CD2-CG1 4.34Å; L220-V236 HydrophobicContact CD2-CG2 4.29Å |
| 221 | R | 85.6 | Confident | 75.7 | Confident | 58 Ų | 58 | 69 Ų | 69 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.3 | 170.1 | -176.3 | -179.9 | -179 | 158.4 | 7.2 | 109.5 | P160 I172 Q174 M204 I205 I207 | P160-R221 PolarHBondContact O-NH2 3Å; I172-R221 HydrophobicContact CG2-CG 3.88Å; Q174-R221 HydrophobicContact CG-CB 4.35Å; Q174-R221 HydrophobicContact CG-CG 4.47Å; M204-R221 CarbonylContact C-O 3.57Å; M204-R221 WeakPolarHBondContact CA-O 3.46Å; I205-R221 PolarHBondContact N-O 2.93Å; I205-R221 PolarHBondContact O-N 3.23Å; I207-R221 HydrophobicContact CD1-CB 4.01Å |
| 222 | I | 88.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.2 | 178.4 | -50.2 | -177.8 | 0 | 0 | 0 | 107.5 | I172 Q173 I175 V202 Q203 M204 L220 V229 A232 R233 | I172-I222 CarbonylContact C-O 3.54Å; I172-I222 WeakPolarHBondContact CA-O 3.3Å; Q173-I222 PolarHBondContact N-O 3.32Å; Q173-I222 PolarHBondContact O-N 3.1Å; I175-I222 HydrophobicContact CD1-CD1 3.9Å; I175-I222 HydrophobicContact CG1-CD1 4.32Å; V202-I222 HydrophobicContact CB-CG2 4.25Å; V202-I222 HydrophobicContact CG2-CG2 3.49Å; V202-I222 VanDerWaalsContact CG2-CG2 3.49Å; Q203-I222 CarbonylContact O-C 3.59Å; Q203-I222 WeakPolarHBondContact O-CA 3.4Å; M204-I222 HydrophobicContact CG-CG1 4.29Å; M204-I222 HydrophobicContact CG-CG2 4.19Å; L220-I222 HydrophobicContact CD2-CD1 4.2Å; L220-I222 HydrophobicContact CD2-CG1 4.07Å; L220-I222 HydrophobicContact CG-CG1 4.26Å; I222-V229 HydrophobicContact CB-CG1 4.15Å; I222-V229 HydrophobicContact CG2-CB 4.34Å; I222-V229 HydrophobicContact CG2-CG1 3.92Å; I222-V229 HydrophobicContact CG2-CG2 4.14Å; I222-A232 HydrophobicContact CG2-CB 3.93Å; I222-R233 HydrophobicContact CD1-CB 4.32Å |
| 223 | T | 85.1 | Confident | 79.8 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 18% | 0.184 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.1 | -172.5 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | S171 I172 V202 Q203 | S171-T223 WeakPolarHBondContact O-CA 3.3Å; I172-T223 HydrophobicContact CG1-CG2 3.77Å; V202-T223 WeakPolarHBondContact CB-O 3.38Å; Q203-T223 PolarHBondContact N-O 3.44Å; Q203-T223 PolarHBondContact O-N 2.9Å |
| 224 | G | 86.2 | Confident | 81.8 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.1 | -167.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S171 V229 | S171-G224 WeakPolarHBondContact CA-O 3.38Å; S171-G224 PolarHBondContact N-O 3.38Å; S171-G224 PolarHBondContact O-N 2.93Å; S171-G224 VanDerWaalsContact O-O 3.05Å; S171-G224 PolarHBondContact OG-O 2.9Å; G224-V229 VanDerWaalsContact C-CG2 3.42Å; G224-V229 VanDerWaalsContact N-CG2 3.34Å; G224-V229 WeakPolarHBondContact O-CG2 3.43Å |
| 225 | D | 86.6 | Confident | 83.4 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | trans | -58.3 | 139.1 | -173.6 | -47.8 | -28.1 | 0 | 0 | 0 | 112.8 | N169 H227 K228 V229 | N169-D225 PolarHBondContact ND2-OD1 2.81Å; N169-D225 VanDerWaalsContact O-CA 3.29Å; N169-D225 WeakPolarHBondContact O-CA 3.28Å; D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 3.46Å; D225-H227 VanDerWaalsContact O-N 3.15Å; D225-K228 HydrophobicContact CB-CB 4.3Å; D225-K228 HydrophobicContact CB-CD 3.93Å; D225-K228 HydrophobicContact CB-CG 4.14Å; D225-K228 CarbonylContact O-C 3.31Å; D225-K228 WeakPolarHBondContact O-CA 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.33Å; D225-K228 PolarHBondContact O-N 2.96Å; D225-K228 VanDerWaalsContact OD2-CD 3.28Å; D225-K228 WeakPolarHBondContact OD2-CD 3.4Å; D225-K228 WeakPolarHBondContact OD2-CE 3.49Å; D225-K228 IonicContact OD2-NZ 2.66Å; D225-K228 PolarHBondContact OD2-NZ 2.66Å; D225-V229 PolarHBondContact O-N 3.49Å | ||
| 226 | P | 83.9 | Confident | 85 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.9 | -40.6 | -171 | 17.9 | -31.1 | 0 | 0 | 0 | 114 | N169 S171 Q230 | N169-P226 WeakPolarHBondContact O-CD 3.31Å; S171-P226 WeakPolarHBondContact OG-CA 3.41Å; P226-Q230 WeakPolarHBondContact O-CB 3.34Å; P226-Q230 PolarHBondContact O-N 2.96Å |
| 227 | H | 84.9 | Confident | 86.1 | Confident | 164 Ų | 164 | 54.7 Ų | 54.7 | 76% | 0.759 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.9 | -39.1 | 175.1 | -65.3 | -85.1 | 0 | 0 | 0 | 112.7 | D225 Q231 | D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 3.46Å; D225-H227 VanDerWaalsContact O-N 3.15Å; H227-Q231 WeakPolarHBondContact O-CB 3.48Å; H227-Q231 PolarHBondContact O-N 2.77Å; H227-Q231 VanDerWaalsContact O-N 3.1Å |
| 228 | K | 86.9 | Confident | 86.4 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 35% | 0.352 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.3 | -40.1 | 179 | -66 | 175.7 | 179.6 | 163 | 0 | 112 | T200 V202 D225 Q231 A232 | T200-K228 WeakPolarHBondContact O-CB 2.82Å; T200-K228 VanDerWaalsContact O-CD 3.3Å; T200-K228 WeakPolarHBondContact O-CD 3.28Å; T200-K228 WeakPolarHBondContact O-CG 3.27Å; V202-K228 HydrophobicContact CG1-CB 3.44Å; V202-K228 VanDerWaalsContact CG1-CB 3.44Å; D225-K228 HydrophobicContact CB-CB 4.3Å; D225-K228 HydrophobicContact CB-CD 3.93Å; D225-K228 HydrophobicContact CB-CG 4.14Å; D225-K228 CarbonylContact O-C 3.31Å; D225-K228 WeakPolarHBondContact O-CA 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.33Å; D225-K228 PolarHBondContact O-N 2.96Å; D225-K228 VanDerWaalsContact OD2-CD 3.28Å; D225-K228 WeakPolarHBondContact OD2-CD 3.4Å; D225-K228 WeakPolarHBondContact OD2-CE 3.49Å; D225-K228 IonicContact OD2-NZ 2.66Å; D225-K228 PolarHBondContact OD2-NZ 2.66Å; K228-Q231 PolarHBondContact O-N 3.48Å; K228-A232 VanDerWaalsContact O-CB 3.26Å; K228-A232 WeakPolarHBondContact O-CB 3.31Å; K228-A232 PolarHBondContact O-N 3Å |
| 229 | V | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | S171 Q173 V202 I222 G224 D225 A232 R233 | S171-V229 WeakPolarHBondContact OG-CB 3.17Å; S171-V229 WeakPolarHBondContact OG-CG2 3.29Å; Q173-V229 HydrophobicContact CB-CG1 3.69Å; Q173-V229 HydrophobicContact CG-CG1 3.61Å; V202-V229 HydrophobicContact CB-CG2 4.35Å; V202-V229 HydrophobicContact CG1-CG2 3.94Å; I222-V229 HydrophobicContact CB-CG1 4.15Å; I222-V229 HydrophobicContact CG2-CB 4.34Å; I222-V229 HydrophobicContact CG2-CG1 3.92Å; I222-V229 HydrophobicContact CG2-CG2 4.14Å; G224-V229 VanDerWaalsContact C-CG2 3.42Å; G224-V229 VanDerWaalsContact N-CG2 3.34Å; G224-V229 WeakPolarHBondContact O-CG2 3.43Å; D225-V229 PolarHBondContact O-N 3.49Å; V229-A232 PolarHBondContact O-N 2.86Å; V229-R233 WeakPolarHBondContact O-CB 3.44Å; V229-R233 PolarHBondContact O-N 2.81Å |
| 230 | Q | 86.3 | Confident | 86.7 | Confident | 87 Ų | 87 | 54.6 Ų | 54.6 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.1 | -172.8 | 62.2 | 19.6 | 0 | 0 | 111.9 | Q173 P226 R233 E234 | Q173-Q230 VanDerWaalsContact NE2-OE1 3.15Å; P226-Q230 WeakPolarHBondContact O-CB 3.34Å; P226-Q230 PolarHBondContact O-N 2.96Å; Q230-R233 PolarHBondContact O-N 2.96Å; Q230-E234 PolarHBondContact O-N 2.99Å |
| 231 | Q | 89.3 | Confident | 86.4 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 174.5 | -178.8 | -178.4 | 75 | 0 | 0 | 112.2 | H227 K228 E234 L235 | H227-Q231 WeakPolarHBondContact O-CB 3.48Å; H227-Q231 PolarHBondContact O-N 2.77Å; H227-Q231 VanDerWaalsContact O-N 3.1Å; K228-Q231 PolarHBondContact O-N 3.48Å; Q231-E234 PolarHBondContact O-N 3.12Å; Q231-L235 HydrophobicContact CG-CD1 4.18Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 2.81Å |
| 232 | A | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | T200 V202 M204 I222 K228 V229 E234 L235 V236 | T200-A232 HydrophobicContact CG2-CB 3.98Å; V202-A232 HydrophobicContact CG2-CB 3.82Å; M204-A232 HydrophobicContact CE-CB 3.67Å; I222-A232 HydrophobicContact CG2-CB 3.93Å; K228-A232 VanDerWaalsContact O-CB 3.26Å; K228-A232 WeakPolarHBondContact O-CB 3.31Å; K228-A232 PolarHBondContact O-N 3Å; V229-A232 PolarHBondContact O-N 2.86Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.49Å; A232-L235 PolarHBondContact O-N 2.83Å; A232-V236 WeakPolarHBondContact O-CG2 3.18Å; A232-V236 PolarHBondContact O-N 3.27Å |
| 233 | R | 88.7 | Confident | 84.2 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 172.7 | 164.9 | 171 | 174.8 | -155.9 | -0.6 | 111.5 | I175 I222 V229 Q230 V236 V237 | I175-R233 HydrophobicContact CG2-CG 3.91Å; I222-R233 HydrophobicContact CD1-CB 4.32Å; V229-R233 WeakPolarHBondContact O-CB 3.44Å; V229-R233 PolarHBondContact O-N 2.81Å; Q230-R233 PolarHBondContact O-N 2.96Å; R233-V236 PolarHBondContact O-N 3.34Å; R233-V237 WeakPolarHBondContact O-CB 3.16Å; R233-V237 WeakPolarHBondContact O-CG2 3.25Å; R233-V237 PolarHBondContact O-N 3.05Å |
| 234 | E | 87.9 | Confident | 82.5 | Confident | 136 Ų | 136 | 74.4 Ų | 74.4 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 178.6 | -173.5 | 171 | -164.4 | 0 | 0 | 111.9 | Q230 Q231 A232 V236 V237 K238 | Q230-E234 PolarHBondContact O-N 2.99Å; Q231-E234 PolarHBondContact O-N 3.12Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.49Å; E234-V236 PolarHBondContact O-N 3.3Å; E234-V237 PolarHBondContact O-N 2.93Å; E234-K238 VanDerWaalsContact O-CB 3.3Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 3.22Å |
| 235 | L | 87.9 | Confident | 80.6 | Confident | 50 Ų | 50 | 82.1 Ų | 82.1 | 26% | 0.262 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.8 | -73.3 | 169.6 | 0 | 0 | 0 | 112.8 | L196 T200 Q231 A232 L239 | L196-L235 HydrophobicContact CD2-CB 4.25Å; T200-L235 HydrophobicContact CG2-CD1 3.59Å; Q231-L235 HydrophobicContact CG-CD1 4.18Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 2.81Å; A232-L235 PolarHBondContact O-N 2.83Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.21Å; L235-L239 PolarHBondContact O-N 3.1Å |
| 236 | V | 88.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 175.9 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | I175 I177 V185 L196 M204 L220 A232 R233 E234 K238 L239 I240 | I175-V236 HydrophobicContact CD1-CB 3.81Å; I175-V236 HydrophobicContact CD1-CG1 3.56Å; I177-V236 HydrophobicContact CD1-CG1 3.7Å; V185-V236 HydrophobicContact CG1-CG1 3.87Å; V185-V236 HydrophobicContact CG1-CG2 4.4Å; V185-V236 HydrophobicContact CG2-CG1 4.1Å; L196-V236 HydrophobicContact CD1-CG2 4.12Å; M204-V236 HydrophobicContact SD-CG2 4.49Å; L220-V236 HydrophobicContact CD2-CG1 4.34Å; L220-V236 HydrophobicContact CD2-CG2 4.29Å; A232-V236 WeakPolarHBondContact O-CG2 3.18Å; A232-V236 PolarHBondContact O-N 3.27Å; R233-V236 PolarHBondContact O-N 3.34Å; E234-V236 PolarHBondContact O-N 3.3Å; V236-K238 VanDerWaalsContact C-N 3.32Å; V236-K238 PolarHBondContact O-N 3.27Å; V236-L239 PolarHBondContact O-N 3.12Å; V236-I240 HydrophobicContact CG1-CD1 3.93Å; V236-I240 VanDerWaalsContact O-CG1 3.31Å; V236-I240 WeakPolarHBondContact O-CG1 3.42Å; V236-I240 PolarHBondContact O-N 3.36Å |
| 237 | V | 86.9 | Confident | 76.4 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 32% | 0.321 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.2 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | R233 E234 I240 R241 | R233-V237 WeakPolarHBondContact O-CB 3.16Å; R233-V237 WeakPolarHBondContact O-CG2 3.25Å; R233-V237 PolarHBondContact O-N 3.05Å; E234-V237 PolarHBondContact O-N 2.93Å; V237-I240 PolarHBondContact O-N 3.42Å; V237-R241 HydrophobicContact CG1-CG 4.48Å; V237-R241 WeakPolarHBondContact O-CB 3.12Å; V237-R241 WeakPolarHBondContact O-CG 3.3Å; V237-R241 PolarHBondContact O-N 3.23Å |
| 238 | K | 83.9 | Confident | 74.2 | Confident | 117 Ų | 117 | 85.8 Ų | 85.8 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 172.6 | -178.6 | 167.5 | 179.1 | 167.5 | 0 | 111.4 | E234 V236 I240 R241 D242 | E234-K238 VanDerWaalsContact O-CB 3.3Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 3.22Å; V236-K238 VanDerWaalsContact C-N 3.32Å; V236-K238 PolarHBondContact O-N 3.27Å; K238-I240 PolarHBondContact O-N 3.02Å; K238-R241 PolarHBondContact O-N 3.12Å; K238-D242 WeakPolarHBondContact CE-OD2 3.32Å; K238-D242 WeakPolarHBondContact CG-OD1 3.3Å; K238-D242 WeakPolarHBondContact CG-OD2 3.27Å; K238-D242 IonicContact NZ-OD2 3.32Å; K238-D242 WeakPolarHBondContact O-CB 3.39Å; K238-D242 PolarHBondContact O-N 2.83Å |
| 239 | L | 84.3 | Confident | 72.1 | Confident | 38 Ų | 38 | 93.2 Ų | 93.2 | 20% | 0.199 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.8 | -26.3 | 178.2 | -173.3 | 131 | 0 | 0 | 0 | 113.2 | L184 V185 T192 L235 V236 | L184-L239 HydrophobicContact CD2-CD2 4.11Å; L184-L239 HydrophobicContact CD2-CG 4.47Å; L184-L239 WeakPolarHBondContact CD2-O 3.22Å; L184-L239 HydrophobicContact CG-CD2 3.85Å; L184-L239 HydrophobicContact CG-CG 4.45Å; V185-L239 HydrophobicContact CB-CD2 4.27Å; V185-L239 HydrophobicContact CG2-CD2 3.7Å; T192-L239 HydrophobicContact CG2-CD1 4.19Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.21Å; L235-L239 PolarHBondContact O-N 3.1Å; V236-L239 PolarHBondContact O-N 3.12Å |
| 240 | I | 84.5 | Confident | 70.2 | Confident | 26 Ų | 26 | 96.5 Ų | 96.5 | 13% | 0.133 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -76.8 | -42.6 | 171.2 | -68.2 | 163.1 | 0 | 0 | 0 | 111.8 | I177 K181 V185 V236 V237 K238 | I177-I240 HydrophobicContact CB-CD1 4.39Å; I177-I240 HydrophobicContact CD1-CD1 4.33Å; I177-I240 HydrophobicContact CG1-CD1 4.06Å; I177-I240 HydrophobicContact CG2-CD1 3.94Å; I177-I240 HydrophobicContact CG2-CG1 4.47Å; K181-I240 HydrophobicContact CB-CG1 4.46Å; K181-I240 HydrophobicContact CD-CG2 4.4Å; K181-I240 HydrophobicContact CG-CG2 4.16Å; K181-I240 PolarHBondContact NZ-O 3.31Å; V185-I240 HydrophobicContact CG2-CD1 4.37Å; V185-I240 HydrophobicContact CG2-CG1 4.02Å; V236-I240 HydrophobicContact CG1-CD1 3.93Å; V236-I240 VanDerWaalsContact O-CG1 3.31Å; V236-I240 WeakPolarHBondContact O-CG1 3.42Å; V236-I240 PolarHBondContact O-N 3.36Å; V237-I240 PolarHBondContact O-N 3.42Å; K238-I240 PolarHBondContact O-N 3.02Å |
| 241 | R | 81.4 | Confident | 68 | Low | 181 Ų | 181 | 94.5 Ų | 94.5 | 68% | 0.683 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -74.3 | -48.8 | -176.9 | -80.1 | -179 | 168.2 | -174.8 | -3.9 | 114.3 | V237 K238 K243 D244 | V237-R241 HydrophobicContact CG1-CG 4.48Å; V237-R241 WeakPolarHBondContact O-CB 3.12Å; V237-R241 WeakPolarHBondContact O-CG 3.3Å; V237-R241 PolarHBondContact O-N 3.23Å; K238-R241 PolarHBondContact O-N 3.12Å; R241-K243 PolarHBondContact O-N 2.88Å; R241-D244 WeakPolarHBondContact O-CB 3.35Å; R241-D244 PolarHBondContact O-N 3.16Å |
| 242 | D | 68.6 | Low | 65.7 | Low | 107 Ų | 107 | 95.4 Ų | 95.4 | 57% | 0.572 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.2 | -179.3 | -72.1 | 7.7 | 0 | 0 | 0 | 112 | K238 | K238-D242 WeakPolarHBondContact CE-OD2 3.32Å; K238-D242 WeakPolarHBondContact CG-OD1 3.3Å; K238-D242 WeakPolarHBondContact CG-OD2 3.27Å; K238-D242 IonicContact NZ-OD2 3.32Å; K238-D242 WeakPolarHBondContact O-CB 3.39Å; K238-D242 PolarHBondContact O-N 2.83Å |
| 243 | K | 59.7 | Low | 63.5 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 43% | 0.426 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 22.6 | 176.1 | -146.8 | -167.3 | -179.9 | -172.4 | 0 | 114.2 | K181 L184 R241 | K181-K243 PolarHBondContact NZ-O 2.81Å; L184-K243 HydrophobicContact CD1-CD 3.75Å; L184-K243 HydrophobicContact CD2-CB 3.86Å; L184-K243 HydrophobicContact CD2-CD 3.61Å; L184-K243 HydrophobicContact CD2-CG 4.37Å; L184-K243 HydrophobicContact CG-CD 4.32Å; R241-K243 PolarHBondContact O-N 2.88Å |
| 244 | D | 49.5 | Very low | 61.1 | Low | 118 Ų | 118 | 99.7 Ų | 99.7 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -28.9 | 166.6 | -143.4 | -129.3 | 0 | 0 | 0 | 111.4 | K181 R241 G246 | K181-D244 WeakPolarHBondContact CE-OD2 3.44Å; K181-D244 VanDerWaalsContact NZ-CA 3.31Å; K181-D244 IonicContact NZ-OD2 3.82Å; K181-D244 PolarHBondContact NZ-OD2 3.3Å; R241-D244 WeakPolarHBondContact O-CB 3.35Å; R241-D244 PolarHBondContact O-N 3.16Å; D244-G246 PolarHBondContact O-N 2.94Å |
| 245 | Q | 46.6 | Very low | 58.9 | Low | 171 Ų | 171 | 102.6 Ų | 102.6 | 80% | 0.799 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -78.3 | 64.2 | -179.1 | -166.2 | 171.5 | 2.6 | 0 | 0 | 113.1 | D247 | Q245-D247 PolarHBondContact O-N 2.76Š|
| 246 | G | 42.3 | Very low | 56.7 | Low | 85 Ų | 85 | 103.4 Ų | 103.4 | 88% | 0.876 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 70.1 | -33.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | D244 | D244-G246 PolarHBondContact O-N 2.94Š|
| 247 | D | 39.8 | Very low | 54.5 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | trans | -106.4 | 177.5 | -165.8 | -103.4 | -64.6 | 0 | 0 | 0 | 114.2 | Q245 | Q245-D247 PolarHBondContact O-N 2.76Š| ||
| 248 | F | 37.8 | Very low | 52.3 | Low | 125 Ų | 125 | 114 Ų | 114 | 55% | 0.548 | 59% | 0.589 | S | S | . | * | trans | 62.2 | 73.9 | -179.1 | -74.7 | -81 | 0 | 0 | 0 | 116.6 | ||||
| 249 | R | 44.2 | Very low | 50.4 | Low | 238 Ų | 238 | 117.6 Ų | 117.6 | 90% | 0.898 | 61% | 0.61 | S | S | * | * | S | Bend | -62.3 | 146.9 | 123 | -75.9 | -175.9 | 170.4 | -172 | -1.8 | 108.6 | G251 | R249-G251 PolarHBondContact O-N 3.34Š| |
| 250 | A | 46.2 | Very low | 48.5 | Very low | 69 Ų | 69 | 118.1 Ų | 118.1 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 72 | 2.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | R252 | A250-R252 PolarHBondContact O-N 2.89Å; A250-R252 VanDerWaalsContact O-N 3.08Å |
| 251 | G | 40.3 | Very low | 46.9 | Very low | 44 Ų | 44 | 120 Ų | 120 | 45% | 0.454 | 65% | 0.65 | S | S | . | * | trans | -74.8 | 93.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R249 | R249-G251 PolarHBondContact O-N 3.34Š| ||
| 252 | R | 42.2 | Very low | 46.2 | Very low | 122 Ų | 122 | 112.9 Ų | 112.9 | 46% | 0.46 | 63% | 0.629 | S | S | . | * | trans | -127.8 | 138.5 | 166.8 | -153 | 176.1 | -160.9 | -117.2 | -10.2 | 109.9 | E191 A250 D254 | E191-R252 IonicContact OE1-NH1 3.58Å; E191-R252 IonicContact OE2-CZ 2.72Å; E191-R252 IonicContact OE2-NH1 3.75Å; E191-R252 PolarHBondContact OE2-NH1 3.06Å; E191-R252 IonicContact OE2-NH2 3.95Å; E191-R252 PolarHBondContact OE2-NH2 2.98Å; A250-R252 PolarHBondContact O-N 2.89Å; A250-R252 VanDerWaalsContact O-N 3.08Å; R252-D254 PolarHBondContact O-N 2.86Å | ||
| 253 | L | 42.8 | Very low | 46.6 | Very low | 109 Ų | 109 | 110.6 Ų | 110.6 | 57% | 0.571 | 62% | 0.621 | S | S | * | * | trans | -58.3 | 131.7 | -177.1 | -71.4 | 70.9 | 0 | 0 | 0 | 110.2 | ||||
| 254 | D | 37.2 | Very low | 47.7 | Very low | 81 Ų | 81 | 107.6 Ų | 107.6 | 43% | 0.433 | 61% | 0.609 | S | S | . | * | trans | -111.2 | 114 | 156.9 | -150 | -47.4 | 0 | 0 | 0 | 109.4 | R252 G256 S257 | R252-D254 PolarHBondContact O-N 2.86Å; D254-G256 PolarHBondContact OD1-N 3.19Å; D254-G256 VanDerWaalsContact OD1-N 3.16Å; D254-S257 VanDerWaalsContact CG-OG 3.26Å; D254-S257 WeakPolarHBondContact OD1-CB 3.39Å; D254-S257 PolarHBondContact OD1-N 3.44Å; D254-S257 PolarHBondContact OD1-OG 3.34Å; D254-S257 WeakPolarHBondContact OD2-CB 3.31Å; D254-S257 PolarHBondContact OD2-OG 3.44Å | ||
| 255 | F | 42.8 | Very low | 49.5 | Very low | 198 Ų | 198 | 104.6 Ų | 104.6 | 87% | 0.868 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -141.1 | 28.9 | 171.4 | -133.7 | -90.3 | 0 | 0 | 0 | 109 | ||
| 256 | G | 40.7 | Very low | 51.5 | Low | 66 Ų | 66 | 97 Ų | 97 | 68% | 0.68 | 56% | 0.558 | S | S | * | * | trans | -173.6 | -0.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | D254 K258 | D254-G256 PolarHBondContact OD1-N 3.19Å; D254-G256 VanDerWaalsContact OD1-N 3.16Å; G256-K258 VanDerWaalsContact C-N 3.34Å; G256-K258 PolarHBondContact O-N 2.96Å | ||
| 257 | S | 42 | Very low | 53.7 | Low | 71 Ų | 71 | 97 Ų | 97 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | trans | -75.1 | 85 | 178.1 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | D254 M259 | D254-S257 VanDerWaalsContact CG-OG 3.26Å; D254-S257 WeakPolarHBondContact OD1-CB 3.39Å; D254-S257 PolarHBondContact OD1-N 3.44Å; D254-S257 PolarHBondContact OD1-OG 3.34Å; D254-S257 WeakPolarHBondContact OD2-CB 3.31Å; D254-S257 PolarHBondContact OD2-OG 3.44Å; S257-M259 PolarHBondContact O-N 3.27Å | ||
| 258 | K | 42.6 | Very low | 56 | Low | 206 Ų | 206 | 91 Ų | 91 | 90% | 0.896 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 98.9 | 159 | -177.6 | 179.4 | 179.2 | 179.1 | 0 | 109.5 | G256 | G256-K258 VanDerWaalsContact C-N 3.34Å; G256-K258 PolarHBondContact O-N 2.96Å |
| 259 | M | 44 | Very low | 58.5 | Low | 191 Ų | 191 | 86.1 Ų | 86.1 | 94% | 0.941 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 58.7 | 167.8 | -162.1 | 172.8 | -76.9 | 0 | 0 | 115.9 | S257 | S257-M259 PolarHBondContact O-N 3.27Š|
| 260 | G | 43.1 | Very low | 60.4 | Low | 50 Ų | 50 | 79.2 Ų | 79.2 | 52% | 0.515 | 46% | 0.464 | S | S | . | . | trans | -152.6 | 121.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S262 | G260-S262 PolarHBondContact O-N 3.4Š| ||
| 261 | G | 51.2 | Low | 62.3 | Low | 65 Ų | 65 | 80.4 Ų | 80.4 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | trans | -67.9 | 124.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | G313 | G261-G313 CarbonylContact C-O 3.6Š| ||
| 262 | S | 66.5 | Low | 64.4 | Low | 32 Ų | 32 | 78.3 Ų | 78.3 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 141.1 | 175.8 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | G260 M312 G313 P315 | G260-S262 PolarHBondContact O-N 3.4Å; S262-M312 WeakPolarHBondContact O-CA 3.49Å; S262-G313 PolarHBondContact N-O 2.68Å; S262-G313 PolarHBondContact O-N 2.81Å; S262-G313 PolarHBondContact OG-O 2.89Å; S262-P315 WeakPolarHBondContact OG-CA 3.42Å |
| 263 | S | 76.9 | Confident | 66.6 | Low | 58 Ų | 58 | 72.8 Ų | 72.8 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 116 | 175.6 | 77 | 0 | 0 | 0 | 0 | 112.1 | Q310 V311 | S263-Q310 PolarHBondContact OG-NE2 3.46Å; S263-V311 CarbonylContact C-O 3.58Å; S263-V311 VanDerWaalsContact CA-O 3.24Å; S263-V311 WeakPolarHBondContact CA-O 3.46Å |
| 264 | L | 83.9 | Confident | 68.5 | Low | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.183 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.5 | 176.9 | 178.1 | 64.4 | 0 | 0 | 0 | 109.6 | V266 V311 C318 A322 | L264-V266 HydrophobicContact CD2-CG2 4.28Å; L264-V266 HydrophobicContact CG-CG2 4.18Å; L264-V311 HydrophobicContact CB-CB 4.45Å; L264-V311 PolarHBondContact N-O 2.83Å; L264-V311 PolarHBondContact O-N 3.36Å; L264-C318 HydrophobicContact CB-CB 4.07Å; L264-C318 HydrophobicContact CD2-CB 4.15Å; L264-A322 HydrophobicContact CD2-CB 3.82Å |
| 265 | D | 87.5 | Confident | 70.8 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.8 | 171.6 | -87.5 | -12.7 | 0 | 0 | 0 | 109.5 | K298 V308 Q310 | D265-K298 IonicContact OD1-NZ 3.31Å; D265-K298 PolarHBondContact OD1-NZ 3Å; D265-K298 IonicContact OD2-NZ 2.66Å; D265-K298 PolarHBondContact OD2-NZ 3.41Å; D265-V308 HydrophobicContact CB-CG1 3.67Å; D265-Q310 WeakPolarHBondContact OD1-CB 3.43Å; D265-Q310 WeakPolarHBondContact OD1-CG 3.22Å |
| 266 | V | 88 | Confident | 73 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | L264 V268 V308 A309 V311 A322 I325 | L264-V266 HydrophobicContact CD2-CG2 4.28Å; L264-V266 HydrophobicContact CG-CG2 4.18Å; V266-V268 HydrophobicContact CG1-CG2 4.18Å; V266-V308 CarbonylContact O-C 3.52Å; V266-V308 WeakPolarHBondContact O-CA 3.24Å; V266-A309 HydrophobicContact CB-CB 4.48Å; V266-A309 PolarHBondContact N-O 2.76Å; V266-A309 PolarHBondContact O-N 3.38Å; V266-V311 HydrophobicContact CG2-CG2 3.85Å; V266-A322 HydrophobicContact CG2-CB 3.68Å; V266-I325 HydrophobicContact CG1-CG2 3.99Å |
| 267 | V | 87.9 | Confident | 75.3 | Confident | 84 Ų | 84 | 59.7 Ų | 59.7 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.1 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | D306 | V267-D306 HydrophobicContact CG1-CB 3.64Å |
| 268 | V | 89.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 118.8 | -173.9 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | V266 A272 V273 I276 F297 R307 A309 I325 V329 | V266-V268 HydrophobicContact CG1-CG2 4.18Å; V268-A272 HydrophobicContact CG1-CB 4.36Å; V268-V273 HydrophobicContact CB-CG2 4.08Å; V268-V273 HydrophobicContact CG1-CG2 3.57Å; V268-I276 HydrophobicContact CG1-CD1 3.32Å; V268-F297 HydrophobicContact CB-CE1 4.32Å; V268-F297 HydrophobicContact CG1-CE1 4.4Å; V268-F297 HydrophobicContact CG2-CE1 4.26Å; V268-R307 PolarHBondContact N-O 3.37Å; V268-R307 PolarHBondContact O-N 3.07Å; V268-A309 HydrophobicContact CG2-CB 3.98Å; V268-I325 HydrophobicContact CG2-CG2 3.77Å; V268-V329 HydrophobicContact CG1-CG2 4.12Å |
| 269 | P | 89.1 | Confident | 79.4 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 139.2 | 176.2 | -27.2 | 36.1 | 0 | 0 | 0 | 112.8 | F271 A272 V273 D306 V329 | P269-F271 VanDerWaalsContact C-N 3.26Å; P269-F271 HydrophobicContact CB-CD1 3.68Å; P269-F271 HydrophobicContact CB-CE1 3.28Å; P269-F271 HydrophobicContact CB-CZ 3.92Å; P269-F271 HydrophobicContact CG-CE1 4.12Å; P269-F271 HydrophobicContact CG-CZ 4.43Å; P269-F271 PolarHBondContact O-N 2.88Å; P269-F271 VanDerWaalsContact O-N 3.13Å; P269-A272 PolarHBondContact O-N 3.4Å; P269-V273 PolarHBondContact O-N 3.19Å; P269-D306 WeakPolarHBondContact CA-OD1 3.43Å; P269-V329 HydrophobicContact CG-CG1 3.97Å |
| 270 | R | 84.6 | Confident | 81.2 | Confident | 92 Ų | 92 | 55.7 Ų | 55.7 | 35% | 0.347 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59 | -31 | -170.3 | -78.1 | 165 | 83.3 | -154.4 | 4.1 | 114.6 | D300 G302 S304 P305 R307 | R270-D300 IonicContact CZ-OD1 2.67Å; R270-D300 IonicContact CZ-OD2 2.81Å; R270-D300 IonicContact NE-OD1 2.81Å; R270-D300 PolarHBondContact NE-OD1 3.34Å; R270-D300 IonicContact NE-OD2 3.14Å; R270-D300 PolarHBondContact NE-OD2 2.93Å; R270-D300 IonicContact NH2-OD1 3.6Å; R270-D300 PolarHBondContact NH2-OD1 2.92Å; R270-D300 IonicContact NH2-OD2 2.85Å; R270-G302 VanDerWaalsContact CZ-O 3.24Å; R270-G302 PolarHBondContact NH1-O 2.85Å; R270-G302 PolarHBondContact NH2-O 2.94Å; R270-S304 WeakPolarHBondContact CD-O 3.47Å; R270-S304 PolarHBondContact NE-O 3.44Å; R270-S304 PolarHBondContact NH1-O 3.39Å; R270-P305 VanDerWaalsContact CB-O 3.3Å; R270-P305 WeakPolarHBondContact CB-O 3.34Å; R270-P305 WeakPolarHBondContact CD-O 3.17Å; R270-P305 WeakPolarHBondContact CG-O 3.38Å; R270-P305 PolarHBondContact N-O 3.15Å; R270-R307 HydrophobicContact CG-CG 3.71Å |
| 271 | F | 85.6 | Confident | 83.2 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.1 | 68.2 | -91 | 0 | 0 | 0 | 111.9 | P269 V273 A332 Q333 | P269-F271 VanDerWaalsContact C-N 3.26Å; P269-F271 HydrophobicContact CB-CD1 3.68Å; P269-F271 HydrophobicContact CB-CE1 3.28Å; P269-F271 HydrophobicContact CB-CZ 3.92Å; P269-F271 HydrophobicContact CG-CE1 4.12Å; P269-F271 HydrophobicContact CG-CZ 4.43Å; P269-F271 PolarHBondContact O-N 2.88Å; P269-F271 VanDerWaalsContact O-N 3.13Å; F271-V273 PolarHBondContact O-N 3.37Å; F271-A332 HydrophobicContact CE2-CB 4.29Å; F271-Q333 HydrophobicContact CE2-CB 4.12Å; F271-Q333 HydrophobicContact CZ-CB 4.05Å; F271-Q333 HydrophobicContact CZ-CG 4.24Å |
| 272 | A | 85.7 | Confident | 85 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.9 | -26.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V268 P269 G274 I275 I276 V329 A332 | V268-A272 HydrophobicContact CG1-CB 4.36Å; P269-A272 PolarHBondContact O-N 3.4Å; A272-G274 PolarHBondContact O-N 3.24Å; A272-I275 WeakPolarHBondContact O-CB 3.41Å; A272-I275 PolarHBondContact O-N 2.77Å; A272-I276 HydrophobicContact CB-CD1 4.03Å; A272-I276 WeakPolarHBondContact O-CD1 3.46Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; A272-I276 PolarHBondContact O-N 2.81Å; A272-V329 HydrophobicContact CB-CB 4.27Å; A272-V329 HydrophobicContact CB-CG1 4.2Å; A272-V329 HydrophobicContact CB-CG2 3.89Å; A272-A332 HydrophobicContact CB-CB 4.45Å |
| 273 | V | 86.5 | Confident | 86.1 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.8 | -39.1 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | V268 P269 F271 I275 I276 I277 F297 R307 | V268-V273 HydrophobicContact CB-CG2 4.08Å; V268-V273 HydrophobicContact CG1-CG2 3.57Å; P269-V273 PolarHBondContact O-N 3.19Å; F271-V273 PolarHBondContact O-N 3.37Å; V273-I275 VanDerWaalsContact C-N 3.29Å; V273-I275 PolarHBondContact O-N 3.25Å; V273-I276 PolarHBondContact O-N 2.55Å; V273-I277 HydrophobicContact CG1-CD1 3.69Å; V273-I277 HydrophobicContact CG1-CG1 4.28Å; V273-I277 WeakPolarHBondContact O-CB 3.44Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.42Å; V273-I277 PolarHBondContact O-N 3.08Å; V273-F297 HydrophobicContact CB-CE1 4.36Å; V273-F297 HydrophobicContact CG1-CD1 3.98Å; V273-F297 HydrophobicContact CG1-CE1 3.74Å; V273-F297 HydrophobicContact CG1-CG 4.5Å; V273-F297 HydrophobicContact CG1-CZ 4.07Å; V273-F297 HydrophobicContact CG2-CD1 4.48Å; V273-F297 HydrophobicContact CG2-CE1 3.94Å; V273-R307 HydrophobicContact CG2-CB 4.22Å |
| 274 | G | 83.6 | Confident | 86.7 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A272 G278 | A272-G274 PolarHBondContact O-N 3.24Å; G274-G278 PolarHBondContact O-N 3.27Å |
| 275 | I | 86.3 | Confident | 87.1 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76 | -45.5 | 178.7 | -64.7 | 165.4 | 0 | 0 | 0 | 110.2 | A272 V273 I277 G278 M283 A332 | A272-I275 WeakPolarHBondContact O-CB 3.41Å; A272-I275 PolarHBondContact O-N 2.77Å; V273-I275 VanDerWaalsContact C-N 3.29Å; V273-I275 PolarHBondContact O-N 3.25Å; I275-I277 PolarHBondContact O-N 3.43Å; I275-G278 WeakPolarHBondContact O-CA 3.48Å; I275-G278 PolarHBondContact O-N 3.29Å; I275-G278 VanDerWaalsContact O-N 3.09Å; I275-M283 VanDerWaalsContact O-SD 3.42Å; I275-A332 HydrophobicContact CD1-CB 3.46Å; I275-A332 VanDerWaalsContact CD1-CB 3.46Å |
| 276 | I | 88.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -37.8 | -179.5 | -65.4 | 152.7 | 0 | 0 | 0 | 111.8 | V268 A272 V273 M283 I284 I287 F297 I325 L328 V329 | V268-I276 HydrophobicContact CG1-CD1 3.32Å; A272-I276 HydrophobicContact CB-CD1 4.03Å; A272-I276 WeakPolarHBondContact O-CD1 3.46Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; A272-I276 PolarHBondContact O-N 2.81Å; V273-I276 PolarHBondContact O-N 2.55Å; I276-M283 CarbonylContact O-C 3.47Å; I276-I284 WeakPolarHBondContact O-CA 3.35Å; I276-I284 PolarHBondContact O-N 2.65Å; I276-I287 HydrophobicContact CG2-CD1 4.16Å; I276-F297 HydrophobicContact CB-CZ 4.44Å; I276-F297 HydrophobicContact CG2-CE2 4.39Å; I276-F297 HydrophobicContact CG2-CZ 3.94Å; I276-I325 HydrophobicContact CD1-CG2 4.06Å; I276-I325 HydrophobicContact CG2-CG1 4.31Å; I276-L328 HydrophobicContact CG1-CB 4.05Å; I276-V329 HydrophobicContact CD1-CG2 3.74Å |
| 277 | I | 88.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -49.1 | 168.4 | -65.7 | 172.6 | 0 | 0 | 0 | 109.3 | V273 I275 G281 M283 I284 F297 | V273-I277 HydrophobicContact CG1-CD1 3.69Å; V273-I277 HydrophobicContact CG1-CG1 4.28Å; V273-I277 WeakPolarHBondContact O-CB 3.44Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.42Å; V273-I277 PolarHBondContact O-N 3.08Å; I275-I277 PolarHBondContact O-N 3.43Å; I277-G281 CarbonylContact O-C 3.25Å; I277-G281 VanDerWaalsContact O-C 3.28Å; I277-G281 VanDerWaalsContact O-CA 3.23Å; I277-G281 WeakPolarHBondContact O-CA 3.29Å; I277-M283 PolarHBondContact O-N 2.69Å; I277-I284 HydrophobicContact CG2-CG2 4.32Å; I277-I284 PolarHBondContact O-N 2.93Å; I277-F297 HydrophobicContact CD1-CD2 4.1Å; I277-F297 HydrophobicContact CD1-CE2 4.18Å; I277-F297 HydrophobicContact CG1-CD2 3.99Å; I277-F297 HydrophobicContact CG1-CE2 3.64Å; I277-F297 HydrophobicContact CG1-CZ 4.33Å |
| 278 | G | 86.2 | Confident | 87.4 | Confident | 21 Ų | 21 | 64 Ų | 64 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | trans | 71.8 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | G274 I275 N280 G281 | G274-G278 PolarHBondContact O-N 3.27Å; I275-G278 WeakPolarHBondContact O-CA 3.48Å; I275-G278 PolarHBondContact O-N 3.29Å; I275-G278 VanDerWaalsContact O-N 3.09Å; G278-N280 PolarHBondContact O-N 2.85Å; G278-G281 PolarHBondContact O-N 3.45Å; G278-G281 VanDerWaalsContact O-N 3.15Å | ||
| 279 | R | 84.6 | Confident | 87.5 | Confident | 204 Ų | 204 | 70.7 Ų | 70.7 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57.8 | 128.5 | 179.1 | -65.1 | -176.8 | -67.1 | -163.2 | -0.9 | 109.6 | G281 E282 | R279-G281 PolarHBondContact O-N 2.86Å; R279-E282 VanDerWaalsContact O-CB 3.22Å; R279-E282 WeakPolarHBondContact O-CB 3.39Å; R279-E282 PolarHBondContact O-N 2.72Å |
| 280 | N | 82.4 | Confident | 87.5 | Confident | 158 Ų | 158 | 74.2 Ų | 74.2 | 85% | 0.845 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | 54 | 22 | -179.1 | -54.7 | -25.3 | 0 | 0 | 0 | 115.6 | G278 E282 K285 | G278-N280 PolarHBondContact O-N 2.85Å; N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.25Å; N280-K285 PolarHBondContact O-NZ 3.1Å; N280-K285 VanDerWaalsContact O-NZ 3.16Å |
| 281 | G | 84.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 70 Ų | 70 | 12% | 0.124 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | 71.2 | 18.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I277 G278 R279 I284 K285 | I277-G281 CarbonylContact O-C 3.25Å; I277-G281 VanDerWaalsContact O-C 3.28Å; I277-G281 VanDerWaalsContact O-CA 3.23Å; I277-G281 WeakPolarHBondContact O-CA 3.29Å; G278-G281 PolarHBondContact O-N 3.45Å; G278-G281 VanDerWaalsContact O-N 3.15Å; R279-G281 PolarHBondContact O-N 2.86Å; G281-I284 VanDerWaalsContact O-CG2 3.23Å; G281-I284 WeakPolarHBondContact O-CG2 3Å; G281-K285 WeakPolarHBondContact O-CB 3.47Å; G281-K285 VanDerWaalsContact O-CD 3.28Å; G281-K285 WeakPolarHBondContact O-CD 3.23Å; G281-K285 WeakPolarHBondContact O-CG 3.39Å; G281-K285 PolarHBondContact O-N 3.5Å; G281-K285 VanDerWaalsContact O-N 3.09Å |
| 282 | E | 88.9 | Confident | 87.7 | Confident | 135 Ų | 135 | 67.9 Ų | 67.9 | 63% | 0.631 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | -178 | -175.4 | 178.8 | -163 | 0 | 0 | 112.4 | R279 N280 K285 K286 | R279-E282 VanDerWaalsContact O-CB 3.22Å; R279-E282 WeakPolarHBondContact O-CB 3.39Å; R279-E282 PolarHBondContact O-N 2.72Å; N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.25Å; E282-K285 PolarHBondContact O-N 2.83Å; E282-K286 PolarHBondContact O-N 3.23Å |
| 283 | M | 88.7 | Confident | 87.9 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71 | -44.2 | -177 | -175.4 | 150.6 | -83.9 | 0 | 0 | 111.5 | I275 I276 I277 K285 K286 I287 L328 | I275-M283 VanDerWaalsContact O-SD 3.42Å; I276-M283 CarbonylContact O-C 3.47Å; I277-M283 PolarHBondContact O-N 2.69Å; M283-K285 VanDerWaalsContact C-N 3.34Å; M283-K285 PolarHBondContact O-N 2.84Å; M283-K286 WeakPolarHBondContact O-CB 3.5Å; M283-K286 PolarHBondContact O-N 3.31Å; M283-K286 VanDerWaalsContact O-N 3.14Å; M283-I287 HydrophobicContact CG-CD1 4.12Å; M283-I287 VanDerWaalsContact O-CG1 3.32Å; M283-I287 WeakPolarHBondContact O-CG1 3.33Å; M283-I287 PolarHBondContact O-N 2.89Å; M283-L328 HydrophobicContact CG-CD1 4.13Å; M283-L328 HydrophobicContact SD-CD1 3.86Å; M283-L328 HydrophobicContact SD-CD2 3.96Å |
| 284 | I | 90.9 | Very high | 88.1 | Confident | 20 Ų | 20 | 76 Ų | 76 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 173.7 | -172.6 | -176.2 | 0 | 0 | 0 | 111.6 | I276 I277 G281 K286 I287 Q288 I295 F297 | I276-I284 WeakPolarHBondContact O-CA 3.35Å; I276-I284 PolarHBondContact O-N 2.65Å; I277-I284 HydrophobicContact CG2-CG2 4.32Å; I277-I284 PolarHBondContact O-N 2.93Å; G281-I284 VanDerWaalsContact O-CG2 3.23Å; G281-I284 WeakPolarHBondContact O-CG2 3Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.35Å; I284-I287 PolarHBondContact O-N 2.92Å; I284-Q288 HydrophobicContact CG1-CG 4.38Å; I284-Q288 WeakPolarHBondContact O-CB 3.47Å; I284-Q288 WeakPolarHBondContact O-CG 3.42Å; I284-Q288 PolarHBondContact O-N 3.35Å; I284-I295 HydrophobicContact CD1-CB 4.03Å; I284-I295 HydrophobicContact CD1-CG2 4.03Å; I284-I295 HydrophobicContact CG1-CB 4.07Å; I284-I295 HydrophobicContact CG1-CD1 4.33Å; I284-I295 HydrophobicContact CG1-CG2 4.32Å; I284-F297 HydrophobicContact CD1-CD2 4.01Å; I284-F297 HydrophobicContact CD1-CE2 3.84Å |
| 285 | K | 90.8 | Very high | 88.4 | Confident | 128 Ų | 128 | 73.8 Ų | 73.8 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 173.5 | -75.9 | 165.1 | -173 | 157.3 | 0 | 111.9 | N280 G281 E282 M283 Q288 N289 | N280-K285 PolarHBondContact O-NZ 3.1Å; N280-K285 VanDerWaalsContact O-NZ 3.16Å; G281-K285 WeakPolarHBondContact O-CB 3.47Å; G281-K285 VanDerWaalsContact O-CD 3.28Å; G281-K285 WeakPolarHBondContact O-CD 3.23Å; G281-K285 WeakPolarHBondContact O-CG 3.39Å; G281-K285 PolarHBondContact O-N 3.5Å; G281-K285 VanDerWaalsContact O-N 3.09Å; E282-K285 PolarHBondContact O-N 2.83Å; M283-K285 VanDerWaalsContact C-N 3.34Å; M283-K285 PolarHBondContact O-N 2.84Å; K285-Q288 PolarHBondContact O-N 2.92Å; K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 2.85Å |
| 286 | K | 90 | Very high | 88.5 | Confident | 142 Ų | 142 | 75.1 Ų | 75.1 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61 | -51.7 | 174.6 | -169.2 | -167.5 | 174.4 | -163.8 | 0 | 110.8 | E282 M283 I284 Q288 N289 D290 | E282-K286 PolarHBondContact O-N 3.23Å; M283-K286 WeakPolarHBondContact O-CB 3.5Å; M283-K286 PolarHBondContact O-N 3.31Å; M283-K286 VanDerWaalsContact O-N 3.14Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.35Å; K286-Q288 VanDerWaalsContact C-N 3.32Å; K286-Q288 PolarHBondContact O-N 3.13Å; K286-N289 PolarHBondContact O-N 3.16Å; K286-N289 VanDerWaalsContact O-N 3.16Å; K286-D290 WeakPolarHBondContact O-CB 3.44Å; K286-D290 PolarHBondContact O-N 2.91Å |
| 287 | I | 89.9 | Confident | 88.6 | Confident | 10 Ų | 10 | 76 Ų | 76 | 5% | 0.051 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | -179.7 | -57.1 | 157.8 | 0 | 0 | 0 | 110.8 | I276 M283 I284 A291 I295 A321 L324 L328 | I276-I287 HydrophobicContact CG2-CD1 4.16Å; M283-I287 HydrophobicContact CG-CD1 4.12Å; M283-I287 VanDerWaalsContact O-CG1 3.32Å; M283-I287 WeakPolarHBondContact O-CG1 3.33Å; M283-I287 PolarHBondContact O-N 2.89Å; I284-I287 PolarHBondContact O-N 2.92Å; I287-A291 WeakPolarHBondContact O-CB 3.26Å; I287-A291 PolarHBondContact O-N 3.25Å; I287-I295 HydrophobicContact CB-CD1 4.15Å; I287-I295 HydrophobicContact CG2-CD1 3.73Å; I287-A321 HydrophobicContact CG2-CB 4.46Å; I287-L324 HydrophobicContact CG2-CB 4.11Å; I287-L324 HydrophobicContact CG2-CD1 4.23Å; I287-L328 HydrophobicContact CD1-CD1 3.57Å; I287-L328 HydrophobicContact CG1-CD1 4.31Å |
| 288 | Q | 89.9 | Confident | 88.4 | Confident | 51 Ų | 51 | 77 Ų | 77 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 174.2 | -76.9 | 179.8 | 13.9 | 0 | 0 | 112.6 | I284 K285 K286 G292 V293 I295 | I284-Q288 HydrophobicContact CG1-CG 4.38Å; I284-Q288 WeakPolarHBondContact O-CB 3.47Å; I284-Q288 WeakPolarHBondContact O-CG 3.42Å; I284-Q288 PolarHBondContact O-N 3.35Å; K285-Q288 PolarHBondContact O-N 2.92Å; K286-Q288 VanDerWaalsContact C-N 3.32Å; K286-Q288 PolarHBondContact O-N 3.13Å; Q288-G292 CarbonylContact O-C 3.56Å; Q288-G292 VanDerWaalsContact O-CA 3.22Å; Q288-G292 WeakPolarHBondContact O-CA 3.49Å; Q288-G292 PolarHBondContact O-N 2.8Å; Q288-V293 CarbonylContact C-O 3.54Å; Q288-V293 VanDerWaalsContact CA-O 3.23Å; Q288-V293 WeakPolarHBondContact CA-O 3.21Å; Q288-V293 WeakPolarHBondContact CB-O 3.49Å; Q288-V293 VanDerWaalsContact CG-O 3.29Å; Q288-V293 WeakPolarHBondContact CG-O 3.24Å; Q288-V293 PolarHBondContact O-N 2.78Å; Q288-I295 HydrophobicContact CG-CB 4.02Å; Q288-I295 HydrophobicContact CG-CD1 3.93Å; Q288-I295 HydrophobicContact CG-CG1 3.81Å; Q288-I295 VanDerWaalsContact NE2-N 3.19Å; Q288-I295 PolarHBondContact NE2-O 2.93Å |
| 289 | N | 92.1 | Very high | 87.8 | Confident | 140 Ų | 140 | 84.8 Ų | 84.8 | 75% | 0.749 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -70.8 | -43.8 | 179.4 | -175.8 | 99.3 | 0 | 0 | 0 | 112.3 | K285 K286 G292 | K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 2.85Å; K286-N289 PolarHBondContact O-N 3.16Å; K286-N289 VanDerWaalsContact O-N 3.16Å; N289-G292 PolarHBondContact O-N 3.05Å |
| 290 | D | 89.1 | Confident | 87.4 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | -174.7 | -162.8 | 69 | 0 | 0 | 0 | 112 | K286 | K286-D290 WeakPolarHBondContact O-CB 3.44Å; K286-D290 PolarHBondContact O-N 2.91Å |
| 291 | A | 87.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -86.6 | -8.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | I287 V293 H317 A321 | I287-A291 WeakPolarHBondContact O-CB 3.26Å; I287-A291 PolarHBondContact O-N 3.25Å; A291-V293 HydrophobicContact CB-CG1 4.39Å; A291-V293 HydrophobicContact CB-CG2 4.1Å; A291-H317 VanDerWaalsContact O-CB 3.29Å; A291-H317 WeakPolarHBondContact O-CB 3.32Å; A291-H317 PolarHBondContact O-ND1 2.84Å; A291-A321 HydrophobicContact CB-CB 3.75Å |
| 292 | G | 86.4 | Confident | 85.9 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 39.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q288 N289 | Q288-G292 CarbonylContact O-C 3.56Å; Q288-G292 VanDerWaalsContact O-CA 3.22Å; Q288-G292 WeakPolarHBondContact O-CA 3.49Å; Q288-G292 PolarHBondContact O-N 2.8Å; N289-G292 PolarHBondContact O-N 3.05Å |
| 293 | V | 91.3 | Very high | 85 | Confident | 11 Ų | 11 | 77.8 Ų | 77.8 | 7% | 0.067 | 40% | 0.401 | C | S | . | . | trans | -127.4 | 163.9 | -177.7 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | Q288 A291 I295 V311 H317 A321 | Q288-V293 CarbonylContact C-O 3.54Å; Q288-V293 VanDerWaalsContact CA-O 3.23Å; Q288-V293 WeakPolarHBondContact CA-O 3.21Å; Q288-V293 WeakPolarHBondContact CB-O 3.49Å; Q288-V293 VanDerWaalsContact CG-O 3.29Å; Q288-V293 WeakPolarHBondContact CG-O 3.24Å; Q288-V293 PolarHBondContact O-N 2.78Å; A291-V293 HydrophobicContact CB-CG1 4.39Å; A291-V293 HydrophobicContact CB-CG2 4.1Å; V293-I295 HydrophobicContact CG2-CD1 4.34Å; V293-I295 HydrophobicContact CG2-CG1 4Å; V293-V311 HydrophobicContact CB-CG1 3.89Å; V293-V311 HydrophobicContact CG1-CG1 4.24Å; V293-V311 HydrophobicContact CG2-CG1 3.7Å; V293-H317 HydrophobicContact CG1-CB 3.66Å; V293-A321 HydrophobicContact CG1-CB 4.46Å; V293-A321 HydrophobicContact CG2-CB 3.58Å | ||
| 294 | R | 89.9 | Confident | 84.3 | Confident | 164 Ų | 164 | 76.7 Ų | 76.7 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.2 | 173.6 | -178 | -179.9 | 175.9 | -176.6 | -1.8 | 110.4 | M312 | R294-M312 HydrophobicContact CB-CB 4.43Å; R294-M312 HydrophobicContact CB-CE 4.5Å; R294-M312 HydrophobicContact CG-CE 4.06Å; R294-M312 PolarHBondContact N-O 2.82Å; R294-M312 PolarHBondContact O-N 2.82Å |
| 295 | I | 90.5 | Very high | 83.7 | Confident | 6 Ų | 6 | 80.4 Ų | 80.4 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.8 | -178.1 | -53.8 | 167.4 | 0 | 0 | 0 | 109.6 | I284 I287 Q288 V293 A309 Q310 V311 I325 | I284-I295 HydrophobicContact CD1-CB 4.03Å; I284-I295 HydrophobicContact CD1-CG2 4.03Å; I284-I295 HydrophobicContact CG1-CB 4.07Å; I284-I295 HydrophobicContact CG1-CD1 4.33Å; I284-I295 HydrophobicContact CG1-CG2 4.32Å; I287-I295 HydrophobicContact CB-CD1 4.15Å; I287-I295 HydrophobicContact CG2-CD1 3.73Å; Q288-I295 HydrophobicContact CG-CB 4.02Å; Q288-I295 HydrophobicContact CG-CD1 3.93Å; Q288-I295 HydrophobicContact CG-CG1 3.81Å; Q288-I295 VanDerWaalsContact NE2-N 3.19Å; Q288-I295 PolarHBondContact NE2-O 2.93Å; V293-I295 HydrophobicContact CG2-CD1 4.34Å; V293-I295 HydrophobicContact CG2-CG1 4Å; I295-A309 HydrophobicContact CG2-CB 4.27Å; I295-Q310 CarbonylContact C-O 3.59Å; I295-Q310 WeakPolarHBondContact CA-O 3.22Å; I295-V311 HydrophobicContact CG1-CG1 4.21Å; I295-V311 HydrophobicContact CG1-CG2 4.23Å; I295-V311 HydrophobicContact CG2-CG2 4.43Å; I295-I325 HydrophobicContact CD1-CD1 4.22Å |
| 296 | Q | 88.3 | Confident | 83.5 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 110.8 | 179 | 179.3 | 60 | 64.7 | 0 | 0 | 109.9 | Q310 M312 | Q296-Q310 PolarHBondContact N-O 3.01Å; Q296-Q310 WeakPolarHBondContact O-CB 3.36Å; Q296-Q310 PolarHBondContact O-N 2.93Å; Q296-M312 HydrophobicContact CB-CE 3.89Å |
| 297 | F | 89.3 | Confident | 83.3 | Confident | 20 Ų | 20 | 73.5 Ų | 73.5 | 9% | 0.088 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 135.6 | 169.7 | -75.4 | -86.3 | 0 | 0 | 0 | 110.4 | V268 V273 I276 I277 I284 A309 | V268-F297 HydrophobicContact CB-CE1 4.32Å; V268-F297 HydrophobicContact CG1-CE1 4.4Å; V268-F297 HydrophobicContact CG2-CE1 4.26Å; V273-F297 HydrophobicContact CB-CE1 4.36Å; V273-F297 HydrophobicContact CG1-CD1 3.98Å; V273-F297 HydrophobicContact CG1-CE1 3.74Å; V273-F297 HydrophobicContact CG1-CG 4.5Å; V273-F297 HydrophobicContact CG1-CZ 4.07Å; V273-F297 HydrophobicContact CG2-CD1 4.48Å; V273-F297 HydrophobicContact CG2-CE1 3.94Å; I276-F297 HydrophobicContact CB-CZ 4.44Å; I276-F297 HydrophobicContact CG2-CE2 4.39Å; I276-F297 HydrophobicContact CG2-CZ 3.94Å; I277-F297 HydrophobicContact CD1-CD2 4.1Å; I277-F297 HydrophobicContact CD1-CE2 4.18Å; I277-F297 HydrophobicContact CG1-CD2 3.99Å; I277-F297 HydrophobicContact CG1-CE2 3.64Å; I277-F297 HydrophobicContact CG1-CZ 4.33Å; I284-F297 HydrophobicContact CD1-CD2 4.01Å; I284-F297 HydrophobicContact CD1-CE2 3.84Å; F297-A309 HydrophobicContact CD1-CB 3.83Å; F297-A309 HydrophobicContact CE1-CB 3.61Å; F297-A309 HydrophobicContact CG-CB 4.43Å; F297-A309 HydrophobicContact CZ-CB 4.03Å |
| 298 | K | 85.7 | Confident | 83.1 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 33% | 0.326 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 162.4 | 170.9 | -72.8 | 168.9 | 170 | 155 | 0 | 110.3 | D265 R307 V308 | D265-K298 IonicContact OD1-NZ 3.31Å; D265-K298 PolarHBondContact OD1-NZ 3Å; D265-K298 IonicContact OD2-NZ 2.66Å; D265-K298 PolarHBondContact OD2-NZ 3.41Å; K298-R307 PolarHBondContact O-NH2 2.85Å; K298-V308 HydrophobicContact CD-CB 4.06Å; K298-V308 HydrophobicContact CD-CG1 3.95Å; K298-V308 PolarHBondContact N-O 2.88Å |
| 299 | Q | 73.7 | Confident | 83 | Confident | 185 Ų | 185 | 72.9 Ų | 72.9 | 86% | 0.864 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 144.7 | 177.9 | -171.8 | 164.2 | -17.9 | 0 | 0 | 110 | ||
| 300 | D | 75.1 | Confident | 82.9 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 125.4 | 178.9 | -169.3 | -167.3 | 0 | 0 | 0 | 109.5 | R270 G302 R307 | R270-D300 IonicContact CZ-OD1 2.67Å; R270-D300 IonicContact CZ-OD2 2.81Å; R270-D300 IonicContact NE-OD1 2.81Å; R270-D300 PolarHBondContact NE-OD1 3.34Å; R270-D300 IonicContact NE-OD2 3.14Å; R270-D300 PolarHBondContact NE-OD2 2.93Å; R270-D300 IonicContact NH2-OD1 3.6Å; R270-D300 PolarHBondContact NH2-OD1 2.92Å; R270-D300 IonicContact NH2-OD2 2.85Å; D300-G302 PolarHBondContact O-N 3.37Å; D300-G302 PolarHBondContact OD2-N 2.93Å; D300-R307 HydrophobicContact CB-CG 4.2Å; D300-R307 WeakPolarHBondContact OD2-CG 3.41Å |
| 301 | D | 71.3 | Confident | 83 | Confident | 138 Ų | 138 | 63.9 Ų | 63.9 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | trans | -73.2 | -4.8 | 172.5 | -63.3 | -67.8 | 0 | 0 | 0 | 112.2 | V303 | D301-V303 PolarHBondContact O-N 3.39Š| ||
| 302 | G | 65.1 | Low | 83 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 80.3 | -29.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R270 D300 | R270-G302 VanDerWaalsContact CZ-O 3.24Å; R270-G302 PolarHBondContact NH1-O 2.85Å; R270-G302 PolarHBondContact NH2-O 2.94Å; D300-G302 PolarHBondContact O-N 3.37Å; D300-G302 PolarHBondContact OD2-N 2.93Å |
| 303 | V | 70.4 | Confident | 83 | Confident | 136 Ų | 136 | 64.8 Ų | 64.8 | 82% | 0.824 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -91.8 | -36.9 | -177.9 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | D301 | D301-V303 PolarHBondContact O-N 3.39Š|
| 304 | S | 73.3 | Confident | 82.8 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -60.1 | 150.3 | 179.8 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | R270 D306 | R270-S304 WeakPolarHBondContact CD-O 3.47Å; R270-S304 PolarHBondContact NE-O 3.44Å; R270-S304 PolarHBondContact NH1-O 3.39Å; S304-D306 VanDerWaalsContact C-N 3.34Å; S304-D306 WeakPolarHBondContact CB-O 3.33Å |
| 305 | P | 79.3 | Confident | 82.3 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -76.2 | -23.8 | 168.5 | 29.4 | -31.7 | 0 | 0 | 0 | 112.6 | R270 | R270-P305 VanDerWaalsContact CB-O 3.3Å; R270-P305 WeakPolarHBondContact CB-O 3.34Å; R270-P305 WeakPolarHBondContact CD-O 3.17Å; R270-P305 WeakPolarHBondContact CG-O 3.38Å; R270-P305 PolarHBondContact N-O 3.15Å |
| 306 | D | 85.4 | Confident | 82.1 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 159.6 | -173.9 | -52 | -60.3 | 0 | 0 | 0 | 112.9 | V267 P269 S304 | V267-D306 HydrophobicContact CG1-CB 3.64Å; P269-D306 WeakPolarHBondContact CA-OD1 3.43Å; S304-D306 VanDerWaalsContact C-N 3.34Å; S304-D306 WeakPolarHBondContact CB-O 3.33Å |
| 307 | R | 85.4 | Confident | 82.1 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 22% | 0.219 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151 | 173.1 | -73.3 | 179.3 | 65.9 | -168.8 | -0.2 | 111 | V268 R270 V273 K298 D300 | V268-R307 PolarHBondContact N-O 3.37Å; V268-R307 PolarHBondContact O-N 3.07Å; R270-R307 HydrophobicContact CG-CG 3.71Å; V273-R307 HydrophobicContact CG2-CB 4.22Å; K298-R307 PolarHBondContact O-NH2 2.85Å; D300-R307 HydrophobicContact CB-CG 4.2Å; D300-R307 WeakPolarHBondContact OD2-CG 3.41Å |
| 308 | V | 86.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 30% | 0.297 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.5 | 179.4 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | D265 V266 K298 | D265-V308 HydrophobicContact CB-CG1 3.67Å; V266-V308 CarbonylContact O-C 3.52Å; V266-V308 WeakPolarHBondContact O-CA 3.24Å; K298-V308 HydrophobicContact CD-CB 4.06Å; K298-V308 HydrophobicContact CD-CG1 3.95Å; K298-V308 PolarHBondContact N-O 2.88Å |
| 309 | A | 88.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V266 V268 I295 F297 | V266-A309 HydrophobicContact CB-CB 4.48Å; V266-A309 PolarHBondContact N-O 2.76Å; V266-A309 PolarHBondContact O-N 3.38Å; V268-A309 HydrophobicContact CG2-CB 3.98Å; I295-A309 HydrophobicContact CG2-CB 4.27Å; F297-A309 HydrophobicContact CD1-CB 3.83Å; F297-A309 HydrophobicContact CE1-CB 3.61Å; F297-A309 HydrophobicContact CG-CB 4.43Å; F297-A309 HydrophobicContact CZ-CB 4.03Å |
| 310 | Q | 89.5 | Confident | 83 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 111.4 | 176.7 | -171.3 | 172.9 | 9.8 | 0 | 0 | 110 | S263 D265 I295 Q296 M312 | S263-Q310 PolarHBondContact OG-NE2 3.46Å; D265-Q310 WeakPolarHBondContact OD1-CB 3.43Å; D265-Q310 WeakPolarHBondContact OD1-CG 3.22Å; I295-Q310 CarbonylContact C-O 3.59Å; I295-Q310 WeakPolarHBondContact CA-O 3.22Å; Q296-Q310 PolarHBondContact N-O 3.01Å; Q296-Q310 WeakPolarHBondContact O-CB 3.36Å; Q296-Q310 PolarHBondContact O-N 2.93Å; Q310-M312 HydrophobicContact CG-CG 4.3Å |
| 311 | V | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 123.2 | 178.2 | -172.3 | 0 | 0 | 0 | 0 | 109 | S263 L264 V266 V293 I295 C318 A321 I325 | S263-V311 CarbonylContact C-O 3.58Å; S263-V311 VanDerWaalsContact CA-O 3.24Å; S263-V311 WeakPolarHBondContact CA-O 3.46Å; L264-V311 HydrophobicContact CB-CB 4.45Å; L264-V311 PolarHBondContact N-O 2.83Å; L264-V311 PolarHBondContact O-N 3.36Å; V266-V311 HydrophobicContact CG2-CG2 3.85Å; V293-V311 HydrophobicContact CB-CG1 3.89Å; V293-V311 HydrophobicContact CG1-CG1 4.24Å; V293-V311 HydrophobicContact CG2-CG1 3.7Å; I295-V311 HydrophobicContact CG1-CG1 4.21Å; I295-V311 HydrophobicContact CG1-CG2 4.23Å; I295-V311 HydrophobicContact CG2-CG2 4.43Å; V311-C318 HydrophobicContact CG1-CB 4.17Å; V311-A321 HydrophobicContact CG1-CB 3.93Å; V311-I325 HydrophobicContact CG2-CD1 4.04Å |
| 312 | M | 87.6 | Confident | 84.7 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.8 | -176.7 | -65.4 | 170.1 | -78.8 | 0 | 0 | 111.2 | S262 R294 Q296 Q310 | S262-M312 WeakPolarHBondContact O-CA 3.49Å; R294-M312 HydrophobicContact CB-CB 4.43Å; R294-M312 HydrophobicContact CB-CE 4.5Å; R294-M312 HydrophobicContact CG-CE 4.06Å; R294-M312 PolarHBondContact N-O 2.82Å; R294-M312 PolarHBondContact O-N 2.82Å; Q296-M312 HydrophobicContact CB-CE 3.89Å; Q310-M312 HydrophobicContact CG-CG 4.3Å |
| 313 | G | 86.3 | Confident | 85.9 | Confident | 15 Ų | 15 | 61 Ų | 61 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168 | -159 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G261 S262 C318 | G261-G313 CarbonylContact C-O 3.6Å; S262-G313 PolarHBondContact N-O 2.68Å; S262-G313 PolarHBondContact O-N 2.81Å; S262-G313 PolarHBondContact OG-O 2.89Å; G313-C318 PolarHBondContact N-SG 2.91Å; G313-C318 VanDerWaalsContact N-SG 3.37Å |
| 314 | Q | 86.2 | Confident | 86.9 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | trans | -58.6 | 141.6 | 165 | -84.8 | -93.4 | 49.9 | 0 | 0 | 109.9 | D316 H317 C318 | Q314-D316 PolarHBondContact O-N 3.36Å; Q314-H317 HydrophobicContact CB-CB 3.78Å; Q314-H317 VanDerWaalsContact CB-CD2 3.49Å; Q314-H317 WeakPolarHBondContact CB-CD2 3.43Å; Q314-H317 WeakPolarHBondContact O-CB 3.38Å; Q314-H317 PolarHBondContact O-N 3.16Å; Q314-C318 PolarHBondContact O-N 3.4Å; Q314-C318 PolarHBondContact O-SG 2.71Å | ||
| 315 | P | 81 | Confident | 87.7 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | -177 | 23 | -33 | 0 | 0 | 0 | 112.5 | S262 H317 C318 H319 | S262-P315 WeakPolarHBondContact OG-CA 3.42Å; P315-H317 VanDerWaalsContact C-N 3.29Å; P315-H317 PolarHBondContact O-N 2.97Å; P315-C318 WeakPolarHBondContact O-CB 3.22Å; P315-C318 PolarHBondContact O-N 3.14Å; P315-H319 PolarHBondContact O-N 3.47Å; P315-H319 VanDerWaalsContact O-N 3.07Å; P315-H319 PolarHBondContact O-ND1 3.49Å |
| 316 | D | 84.7 | Confident | 88.2 | Confident | 116 Ų | 116 | 53.9 Ų | 53.9 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 179.6 | -48.8 | -70.8 | 0 | 0 | 0 | 111.8 | Q314 H319 H320 | Q314-D316 PolarHBondContact O-N 3.36Å; D316-H319 PolarHBondContact O-N 3.43Å; D316-H320 PolarHBondContact O-N 2.81Å |
| 317 | H | 89.8 | Confident | 88.4 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 176.7 | -69.8 | -133.1 | 0 | 0 | 0 | 112 | A291 V293 Q314 P315 H320 A321 | A291-H317 VanDerWaalsContact O-CB 3.29Å; A291-H317 WeakPolarHBondContact O-CB 3.32Å; A291-H317 PolarHBondContact O-ND1 2.84Å; V293-H317 HydrophobicContact CG1-CB 3.66Å; Q314-H317 HydrophobicContact CB-CB 3.78Å; Q314-H317 VanDerWaalsContact CB-CD2 3.49Å; Q314-H317 WeakPolarHBondContact CB-CD2 3.43Å; Q314-H317 WeakPolarHBondContact O-CB 3.38Å; Q314-H317 PolarHBondContact O-N 3.16Å; P315-H317 VanDerWaalsContact C-N 3.29Å; P315-H317 PolarHBondContact O-N 2.97Å; H317-H320 PolarHBondContact O-N 2.96Å; H317-A321 WeakPolarHBondContact O-CB 3.36Å; H317-A321 PolarHBondContact O-N 3.27Å |
| 318 | C | 88.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.2 | -73 | 0 | 0 | 0 | 0 | 111.8 | L264 V311 G313 Q314 P315 A321 A322 | L264-C318 HydrophobicContact CB-CB 4.07Å; L264-C318 HydrophobicContact CD2-CB 4.15Å; V311-C318 HydrophobicContact CG1-CB 4.17Å; G313-C318 PolarHBondContact N-SG 2.91Å; G313-C318 VanDerWaalsContact N-SG 3.37Å; Q314-C318 PolarHBondContact O-N 3.4Å; Q314-C318 PolarHBondContact O-SG 2.71Å; P315-C318 WeakPolarHBondContact O-CB 3.22Å; P315-C318 PolarHBondContact O-N 3.14Å; C318-A321 PolarHBondContact O-N 2.7Å; C318-A322 WeakPolarHBondContact O-CB 3.49Å; C318-A322 PolarHBondContact O-N 3.42Å |
| 319 | H | 88 | Confident | 88.5 | Confident | 119 Ų | 119 | 53 Ų | 53 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66.6 | -41.8 | 174.3 | -68.4 | 93.2 | 0 | 0 | 0 | 111.9 | P315 D316 A322 H323 | P315-H319 PolarHBondContact O-N 3.47Å; P315-H319 VanDerWaalsContact O-N 3.07Å; P315-H319 PolarHBondContact O-ND1 3.49Å; D316-H319 PolarHBondContact O-N 3.43Å; H319-A322 PolarHBondContact O-N 2.9Å; H319-H323 PolarHBondContact O-N 3.38Å |
| 320 | H | 90.9 | Very high | 88.4 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 44% | 0.44 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.1 | -174.4 | -160.5 | 0 | 0 | 0 | 111.6 | D316 H317 A322 H323 L324 | D316-H320 PolarHBondContact O-N 2.81Å; H317-H320 PolarHBondContact O-N 2.96Å; H320-A322 PolarHBondContact O-N 2.81Å; H320-H323 WeakPolarHBondContact O-CB 3.49Å; H320-H323 PolarHBondContact O-N 2.9Å; H320-L324 WeakPolarHBondContact O-CG 3.35Å; H320-L324 PolarHBondContact O-N 2.76Å |
| 321 | A | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I287 A291 V293 V311 H317 C318 H323 L324 I325 | I287-A321 HydrophobicContact CG2-CB 4.46Å; A291-A321 HydrophobicContact CB-CB 3.75Å; V293-A321 HydrophobicContact CG1-CB 4.46Å; V293-A321 HydrophobicContact CG2-CB 3.58Å; V311-A321 HydrophobicContact CG1-CB 3.93Å; H317-A321 WeakPolarHBondContact O-CB 3.36Å; H317-A321 PolarHBondContact O-N 3.27Å; C318-A321 PolarHBondContact O-N 2.7Å; A321-H323 VanDerWaalsContact C-N 3.35Å; A321-L324 PolarHBondContact O-N 3.48Å; A321-I325 VanDerWaalsContact O-CG1 3.26Å; A321-I325 WeakPolarHBondContact O-CG1 3.15Å; A321-I325 PolarHBondContact O-N 3.15Å |
| 322 | A | 90.7 | Very high | 87.2 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L264 V266 C318 H319 H320 I325 N326 | L264-A322 HydrophobicContact CD2-CB 3.82Å; V266-A322 HydrophobicContact CG2-CB 3.68Å; C318-A322 WeakPolarHBondContact O-CB 3.49Å; C318-A322 PolarHBondContact O-N 3.42Å; H319-A322 PolarHBondContact O-N 2.9Å; H320-A322 PolarHBondContact O-N 2.81Å; A322-I325 PolarHBondContact O-N 3.42Å; A322-N326 WeakPolarHBondContact O-CB 3.23Å; A322-N326 VanDerWaalsContact O-CG 3.29Å; A322-N326 PolarHBondContact O-N 3.39Å |
| 323 | H | 91.3 | Very high | 86.4 | Confident | 117 Ų | 117 | 62.4 Ų | 62.4 | 54% | 0.542 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 172.8 | -166.7 | -52.3 | 0 | 0 | 0 | 111.7 | H319 H320 A321 I325 N326 E327 | H319-H323 PolarHBondContact O-N 3.38Å; H320-H323 WeakPolarHBondContact O-CB 3.49Å; H320-H323 PolarHBondContact O-N 2.9Å; A321-H323 VanDerWaalsContact C-N 3.35Å; H323-I325 VanDerWaalsContact C-N 3.31Å; H323-I325 PolarHBondContact O-N 3.38Å; H323-N326 PolarHBondContact O-N 3.02Å; H323-E327 IonicContact CE1-OE1 3.94Å; H323-E327 WeakPolarHBondContact ND1-CG 3.2Å; H323-E327 WeakPolarHBondContact O-CB 3.22Å; H323-E327 VanDerWaalsContact O-CG 3.31Å; H323-E327 WeakPolarHBondContact O-CG 3.45Å; H323-E327 PolarHBondContact O-N 2.86Å |
| 324 | L | 90.4 | Very high | 85.3 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -34.5 | 176.2 | -67.2 | 173.6 | 0 | 0 | 0 | 112.5 | I287 H320 A321 L328 | I287-L324 HydrophobicContact CG2-CB 4.11Å; I287-L324 HydrophobicContact CG2-CD1 4.23Å; H320-L324 WeakPolarHBondContact O-CG 3.35Å; H320-L324 PolarHBondContact O-N 2.76Å; A321-L324 PolarHBondContact O-N 3.48Å; L324-L328 WeakPolarHBondContact O-CD1 3.35Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 3.21Å |
| 325 | I | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -49.8 | 171.9 | -71.8 | 163.6 | 0 | 0 | 0 | 110.1 | V266 V268 I276 I295 V311 A321 A322 H323 L328 V329 | V266-I325 HydrophobicContact CG1-CG2 3.99Å; V268-I325 HydrophobicContact CG2-CG2 3.77Å; I276-I325 HydrophobicContact CD1-CG2 4.06Å; I276-I325 HydrophobicContact CG2-CG1 4.31Å; I295-I325 HydrophobicContact CD1-CD1 4.22Å; V311-I325 HydrophobicContact CG2-CD1 4.04Å; A321-I325 VanDerWaalsContact O-CG1 3.26Å; A321-I325 WeakPolarHBondContact O-CG1 3.15Å; A321-I325 PolarHBondContact O-N 3.15Å; A322-I325 PolarHBondContact O-N 3.42Å; H323-I325 VanDerWaalsContact C-N 3.31Å; H323-I325 PolarHBondContact O-N 3.38Å; I325-L328 PolarHBondContact O-N 2.98Å; I325-L328 VanDerWaalsContact O-N 3.13Å; I325-V329 HydrophobicContact CG2-CG2 4.45Å; I325-V329 WeakPolarHBondContact O-CG2 3.29Å; I325-V329 PolarHBondContact O-N 3.14Å |
| 326 | N | 90.1 | Very high | 82.3 | Confident | 84 Ų | 84 | 75.3 Ų | 75.3 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | -177.4 | -71.2 | -5.5 | 0 | 0 | 0 | 112.6 | A322 H323 L328 V329 Q330 | A322-N326 WeakPolarHBondContact O-CB 3.23Å; A322-N326 VanDerWaalsContact O-CG 3.29Å; A322-N326 PolarHBondContact O-N 3.39Å; H323-N326 PolarHBondContact O-N 3.02Å; N326-L328 VanDerWaalsContact C-N 3.26Å; N326-L328 PolarHBondContact O-N 2.89Å; N326-V329 WeakPolarHBondContact O-CB 3.45Å; N326-V329 PolarHBondContact O-N 2.95Å; N326-V329 VanDerWaalsContact O-N 3.16Å; N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 PolarHBondContact O-N 2.92Å |
| 327 | E | 88.8 | Confident | 80.3 | Confident | 101 Ų | 101 | 72.3 Ų | 72.3 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -54.6 | -42.2 | 170.5 | -79.3 | -86.6 | 108.3 | 0 | 0 | 111.8 | H323 Q330 T331 | H323-E327 IonicContact CE1-OE1 3.94Å; H323-E327 WeakPolarHBondContact ND1-CG 3.2Å; H323-E327 WeakPolarHBondContact O-CB 3.22Å; H323-E327 VanDerWaalsContact O-CG 3.31Å; H323-E327 WeakPolarHBondContact O-CG 3.45Å; H323-E327 PolarHBondContact O-N 2.86Å; E327-Q330 PolarHBondContact O-N 3.26Å; E327-T331 VanDerWaalsContact O-CB 3.23Å; E327-T331 WeakPolarHBondContact O-CB 3.47Å; E327-T331 PolarHBondContact O-N 3.38Å; E327-T331 PolarHBondContact O-OG1 3.47Å |
| 328 | L | 87.1 | Confident | 77.6 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74.3 | -32.4 | 177.4 | -70.9 | 169.9 | 0 | 0 | 0 | 112.9 | I276 M283 I287 L324 I325 N326 A332 | I276-L328 HydrophobicContact CG1-CB 4.05Å; M283-L328 HydrophobicContact CG-CD1 4.13Å; M283-L328 HydrophobicContact SD-CD1 3.86Å; M283-L328 HydrophobicContact SD-CD2 3.96Å; I287-L328 HydrophobicContact CD1-CD1 3.57Å; I287-L328 HydrophobicContact CG1-CD1 4.31Å; L324-L328 WeakPolarHBondContact O-CD1 3.35Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 3.21Å; I325-L328 PolarHBondContact O-N 2.98Å; I325-L328 VanDerWaalsContact O-N 3.13Å; N326-L328 VanDerWaalsContact C-N 3.26Å; N326-L328 PolarHBondContact O-N 2.89Å; L328-A332 VanDerWaalsContact O-CB 3.24Å; L328-A332 WeakPolarHBondContact O-CB 3.5Å; L328-A332 PolarHBondContact O-N 2.99Å |
| 329 | V | 87.7 | Confident | 75.3 | Confident | 15 Ų | 15 | 79.2 Ų | 79.2 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 169.3 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | V268 P269 A272 I276 I325 N326 A332 Q333 | V268-V329 HydrophobicContact CG1-CG2 4.12Å; P269-V329 HydrophobicContact CG-CG1 3.97Å; A272-V329 HydrophobicContact CB-CB 4.27Å; A272-V329 HydrophobicContact CB-CG1 4.2Å; A272-V329 HydrophobicContact CB-CG2 3.89Å; I276-V329 HydrophobicContact CD1-CG2 3.74Å; I325-V329 HydrophobicContact CG2-CG2 4.45Å; I325-V329 WeakPolarHBondContact O-CG2 3.29Å; I325-V329 PolarHBondContact O-N 3.14Å; N326-V329 WeakPolarHBondContact O-CB 3.45Å; N326-V329 PolarHBondContact O-N 2.95Å; N326-V329 VanDerWaalsContact O-N 3.16Å; V329-A332 WeakPolarHBondContact O-CB 3.43Å; V329-A332 PolarHBondContact O-N 3.48Å; V329-Q333 WeakPolarHBondContact O-CB 3.5Å; V329-Q333 PolarHBondContact O-N 3.13Å |
| 330 | Q | 85.6 | Confident | 72.9 | Confident | 110 Ų | 110 | 80.3 Ų | 80.3 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | -178.7 | -176.3 | 167.8 | -12.9 | 0 | 0 | 111.5 | N326 E327 A332 Q333 E334 | N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 PolarHBondContact O-N 2.92Å; E327-Q330 PolarHBondContact O-N 3.26Å; Q330-A332 PolarHBondContact O-N 2.76Å; Q330-Q333 PolarHBondContact O-N 3.49Å; Q330-Q333 VanDerWaalsContact O-N 3.1Å; Q330-E334 HydrophobicContact CG-CG 4.45Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.3Å; Q330-E334 PolarHBondContact NE2-OE1 3.4Å; Q330-E334 WeakPolarHBondContact O-CG 3.18Å; Q330-E334 PolarHBondContact O-N 3.09Å |
| 331 | T | 80.3 | Confident | 70.2 | Confident | 77 Ų | 77 | 84.2 Ų | 84.2 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.2 | -30.5 | 173.6 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | E327 | E327-T331 VanDerWaalsContact O-CB 3.23Å; E327-T331 WeakPolarHBondContact O-CB 3.47Å; E327-T331 PolarHBondContact O-N 3.38Å; E327-T331 PolarHBondContact O-OG1 3.47Å |
| 332 | A | 74.7 | Confident | 67.6 | Low | 3 Ų | 3 | 87.7 Ų | 87.7 | 3% | 0.025 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -74 | -45.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F271 A272 I275 L328 V329 Q330 E334 R335 D336 | F271-A332 HydrophobicContact CE2-CB 4.29Å; A272-A332 HydrophobicContact CB-CB 4.45Å; I275-A332 HydrophobicContact CD1-CB 3.46Å; I275-A332 VanDerWaalsContact CD1-CB 3.46Å; L328-A332 VanDerWaalsContact O-CB 3.24Å; L328-A332 WeakPolarHBondContact O-CB 3.5Å; L328-A332 PolarHBondContact O-N 2.99Å; V329-A332 WeakPolarHBondContact O-CB 3.43Å; V329-A332 PolarHBondContact O-N 3.48Å; Q330-A332 PolarHBondContact O-N 2.76Å; A332-E334 PolarHBondContact O-N 3.49Å; A332-R335 CarbonylContact O-C 3.28Å; A332-R335 WeakPolarHBondContact O-CA 3.36Å; A332-R335 WeakPolarHBondContact O-CB 3.41Å; A332-R335 PolarHBondContact O-N 2.96Å; A332-D336 PolarHBondContact O-N 3.19Å |
| 333 | Q | 71.1 | Confident | 65.2 | Low | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -33.8 | -177.9 | -172.1 | 167.4 | -30.2 | 0 | 0 | 112.9 | F271 V329 Q330 R335 G337 | F271-Q333 HydrophobicContact CE2-CB 4.12Å; F271-Q333 HydrophobicContact CZ-CB 4.05Å; F271-Q333 HydrophobicContact CZ-CG 4.24Å; V329-Q333 WeakPolarHBondContact O-CB 3.5Å; V329-Q333 PolarHBondContact O-N 3.13Å; Q330-Q333 PolarHBondContact O-N 3.49Å; Q330-Q333 VanDerWaalsContact O-N 3.1Å; Q333-R335 PolarHBondContact O-N 2.98Å; Q333-G337 WeakPolarHBondContact O-CA 2.89Å; Q333-G337 PolarHBondContact O-N 2.99Å |
| 334 | E | 63.2 | Low | 62.7 | Low | 135 Ų | 135 | 102.3 Ų | 102.3 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.6 | -17.4 | 169.8 | -70 | 176.6 | -162.7 | 0 | 0 | 112.5 | Q330 A332 | Q330-E334 HydrophobicContact CG-CG 4.45Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.3Å; Q330-E334 PolarHBondContact NE2-OE1 3.4Å; Q330-E334 WeakPolarHBondContact O-CG 3.18Å; Q330-E334 PolarHBondContact O-N 3.09Å; A332-E334 PolarHBondContact O-N 3.49Å |
| 335 | R | 57.1 | Low | 60 | Low | 207 Ų | 207 | 103.9 Ų | 103.9 | 78% | 0.781 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -89.2 | -41.2 | 175.8 | -123 | 175.2 | 169.6 | 175.8 | -3.2 | 113.4 | A332 Q333 | A332-R335 CarbonylContact O-C 3.28Å; A332-R335 WeakPolarHBondContact O-CA 3.36Å; A332-R335 WeakPolarHBondContact O-CB 3.41Å; A332-R335 PolarHBondContact O-N 2.96Å; Q333-R335 PolarHBondContact O-N 2.98Å |
| 336 | D | 47.7 | Very low | 57.4 | Low | 113 Ų | 113 | 115 Ų | 115 | 60% | 0.604 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74 | -19.1 | 170.2 | -76.7 | -62.3 | 0 | 0 | 0 | 111.7 | A332 F338 | A332-D336 PolarHBondContact O-N 3.19Å; D336-F338 PolarHBondContact O-N 2.76Å; D336-F338 VanDerWaalsContact O-N 3.15Å |
| 337 | G | 41.5 | Very low | 55.1 | Low | 53 Ų | 53 | 115.6 Ų | 115.6 | 55% | 0.546 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | -3.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q333 | Q333-G337 WeakPolarHBondContact O-CA 2.89Å; Q333-G337 PolarHBondContact O-N 2.99Å |
| 338 | F | 34.9 | Very low | 52.8 | Low | 159 Ų | 159 | 117.9 Ų | 117.9 | 70% | 0.697 | 62% | 0.616 | S | S | * | * | trans | -153.3 | 103.2 | 166.4 | -128 | -79.8 | 0 | 0 | 0 | 114.3 | D336 I340 | D336-F338 PolarHBondContact O-N 2.76Å; D336-F338 VanDerWaalsContact O-N 3.15Å; F338-I340 WeakPolarHBondContact CD1-O 3.42Å; F338-I340 WeakPolarHBondContact CE1-O 3.45Å; F338-I340 PolarHBondContact O-N 3.46Å | ||
| 339 | G | 39.6 | Very low | 50.2 | Low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -69.4 | 118.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 340 | I | 36.7 | Very low | 48.4 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 76.9 | 117 | 170.3 | -51.8 | -62 | 0 | 0 | 0 | 117.5 | F338 | F338-I340 WeakPolarHBondContact CD1-O 3.42Å; F338-I340 WeakPolarHBondContact CE1-O 3.45Å; F338-I340 PolarHBondContact O-N 3.46Å |
| 341 | M | 35.4 | Very low | 46.3 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | 68.7 | 121.9 | 151 | -170.7 | -175.4 | -65.2 | 0 | 0 | 120 | ||||
| 342 | G | 34.1 | Very low | 44.3 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | 168.8 | 79.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 343 | R | 40.7 | Very low | 42.5 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | -30.9 | 141.1 | 172.4 | -77.3 | -152.4 | -158.5 | -87.2 | 8.1 | 119.4 | ||||
| 344 | R | 39.8 | Very low | 41 | Very low | 229 Ų | 229 | 135.3 Ų | 135.3 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 65.3 | 140.9 | 151 | -59.9 | 161.2 | 178.7 | 171.1 | -3 | 115.4 | ||||
| 345 | G | 33.2 | Very low | 40.3 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | cis | -174.4 | -179.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 346 | R | 37.3 | Very low | 40.1 | Very low | 232 Ų | 232 | 125 Ų | 125 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | cis | -173.6 | 123.5 | 21.5 | 158.8 | -159.7 | 179.5 | -171.9 | 1.5 | 106.8 | ||||
| 347 | S | 41.5 | Very low | 41 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 65.3 | 155.1 | 165.7 | -61.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 348 | D | 40.4 | Very low | 42.8 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | cis | -139.8 | 137.3 | -0.9 | -84.4 | -58.5 | 0 | 0 | 0 | 110.8 | ||||
| 349 | C | 32.8 | Very low | 45 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 86% | 0.858 | 75% | 0.748 | S | S | * | * | trans | -156.8 | 75 | 157.4 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | M351 | C349-M351 PolarHBondContact O-N 3.19Š| ||
| 350 | N | 49.8 | Very low | 47.1 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | -70 | 98.2 | 169.8 | 173.4 | 80.8 | 0 | 0 | 0 | 111 | ||||
| 351 | M | 39.7 | Very low | 49.4 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | trans | -141.4 | 113.3 | 163 | -101 | -67.3 | -179 | 0 | 0 | 109.1 | C349 | C349-M351 PolarHBondContact O-N 3.19Š| ||
| 352 | G | 39.9 | Very low | 51.7 | Low | 80 Ų | 80 | 114.2 Ų | 114.2 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | trans | -80.6 | 139.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 353 | G | 36.1 | Very low | 54.1 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | trans | -161.7 | 93.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 354 | A | 39.7 | Very low | 56.3 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | trans | 18.4 | 101.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | G356 | A354-G356 VanDerWaalsContact C-N 3.27Å; A354-G356 PolarHBondContact O-N 2.99Å | ||
| 355 | G | 49 | Very low | 58.5 | Low | 80 Ų | 80 | 95.6 Ų | 95.6 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | 63.3 | -2.3 | 118.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | L357 | G355-L357 PolarHBondContact O-N 3.23Š| |||
| 356 | G | 52.6 | Low | 60.7 | Low | 45 Ų | 45 | 93.8 Ų | 93.8 | 46% | 0.464 | 59% | 0.591 | S | S | . | * | trans | -63.4 | 131.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A354 Q358 | A354-G356 VanDerWaalsContact C-N 3.27Å; A354-G356 PolarHBondContact O-N 2.99Å; G356-Q358 PolarHBondContact O-N 2.91Å | ||
| 357 | L | 66.9 | Low | 62.9 | Low | 122 Ų | 122 | 88.5 Ų | 88.5 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | trans | -69.6 | 108.9 | 163.8 | -66.5 | 176.3 | 0 | 0 | 0 | 108.2 | G355 T413 | G355-L357 PolarHBondContact O-N 3.23Å; L357-T413 HydrophobicContact CD2-CG2 4.23Å | ||
| 358 | Q | 78.6 | Confident | 64.9 | Low | 100 Ų | 100 | 87.4 Ų | 87.4 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 146.2 | 177 | -60.8 | 178.7 | 31.7 | 0 | 0 | 109.2 | G356 R411 G412 | G356-Q358 PolarHBondContact O-N 2.91Å; Q358-R411 CarbonylContact O-C 3.55Å; Q358-R411 VanDerWaalsContact O-CA 3.26Å; Q358-R411 WeakPolarHBondContact O-CA 3.44Å; Q358-G412 PolarHBondContact N-O 3.44Å; Q358-G412 PolarHBondContact O-N 3.45Å; Q358-G412 VanDerWaalsContact O-O 3.12Å |
| 359 | E | 81.9 | Confident | 67 | Low | 93 Ų | 93 | 80.7 Ų | 80.7 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.5 | 170.3 | -174.3 | 167.3 | 175.3 | 0 | 0 | 108.6 | S409 I410 R411 | E359-S409 VanDerWaalsContact CD-OG 3.26Å; E359-S409 VanDerWaalsContact CG-OG 3.23Å; E359-S409 WeakPolarHBondContact CG-OG 3.48Å; E359-S409 PolarHBondContact OE1-OG 3.46Å; E359-I410 WeakPolarHBondContact CA-O 3.48Å; E359-R411 HydrophobicContact CB-CB 4.32Å; E359-R411 HydrophobicContact CB-CG 4.11Å; E359-R411 HydrophobicContact CG-CB 4.27Å; E359-R411 IonicContact OE1-NH2 2.65Å; E359-R411 IonicContact OE2-CZ 3.99Å; E359-R411 IonicContact OE2-NE 2.69Å; E359-R411 PolarHBondContact OE2-NE 3.25Å; E359-R411 IonicContact OE2-NH2 3.09Å; E359-R411 PolarHBondContact OE2-NH2 2.87Å |
| 360 | V | 82.5 | Confident | 69.4 | Low | 57 Ų | 57 | 77.1 Ų | 77.1 | 35% | 0.345 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.6 | -177.1 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | I410 L417 | V360-I410 PolarHBondContact N-O 2.82Å; V360-I410 PolarHBondContact O-N 3.41Å; V360-L417 HydrophobicContact CB-CD1 3.88Å; V360-L417 HydrophobicContact CB-CD2 3.81Å; V360-L417 HydrophobicContact CG1-CD1 4.3Å; V360-L417 HydrophobicContact CG1-CD2 4.42Å; V360-L417 HydrophobicContact CG2-CD2 3.51Å |
| 361 | T | 84.7 | Confident | 71.1 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 56% | 0.564 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.6 | 176.6 | -49.1 | 0 | 0 | 0 | 0 | 109.5 | I407 | T361-I407 HydrophobicContact CG2-CG2 3.28Å |
| 362 | Y | 85.1 | Confident | 73.3 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 8% | 0.082 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.4 | 178.5 | -177.2 | -90.2 | 0 | 0 | 0 | 110 | V364 F408 I410 R421 I424 D425 I428 | Y362-V364 HydrophobicContact CD1-CG2 3.64Å; Y362-V364 HydrophobicContact CE1-CG2 3.42Å; Y362-V364 VanDerWaalsContact CE1-CG2 3.42Å; Y362-F408 PolarHBondContact N-O 3.09Å; Y362-F408 PolarHBondContact O-N 3.16Å; Y362-I410 HydrophobicContact CG-CD1 4.27Å; Y362-R421 HydrophobicContact CD2-CG 4.23Å; Y362-R421 HydrophobicContact CE2-CG 3.85Å; Y362-I424 HydrophobicContact CD1-CD1 4.5Å; Y362-I424 HydrophobicContact CD1-CG2 3.98Å; Y362-I424 HydrophobicContact CE1-CB 4.14Å; Y362-I424 HydrophobicContact CE1-CG2 3.29Å; Y362-D425 PolarHBondContact OH-OD1 3.13Å; Y362-D425 PolarHBondContact OH-OD2 3.1Å; Y362-I428 HydrophobicContact CE1-CD1 3.96Å |
| 363 | A | 84.9 | Confident | 75.5 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 52% | 0.521 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V405 | A363-V405 HydrophobicContact CB-CG1 3.81Å |
| 364 | V | 85.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.9 | -177.6 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | Y362 A366 K368 C369 V372 R406 F408 I424 I428 | Y362-V364 HydrophobicContact CD1-CG2 3.64Å; Y362-V364 HydrophobicContact CE1-CG2 3.42Å; Y362-V364 VanDerWaalsContact CE1-CG2 3.42Å; V364-A366 PolarHBondContact O-N 2.92Å; V364-K368 HydrophobicContact CG1-CB 4.09Å; V364-C369 HydrophobicContact CG1-CB 4.42Å; V364-V372 HydrophobicContact CG1-CG2 4.14Å; V364-R406 PolarHBondContact N-O 2.97Å; V364-R406 PolarHBondContact O-N 3.47Å; V364-F408 HydrophobicContact CB-CD2 4.2Å; V364-F408 HydrophobicContact CB-CE2 3.86Å; V364-F408 HydrophobicContact CG1-CE2 4.44Å; V364-F408 HydrophobicContact CG2-CD2 3.62Å; V364-F408 HydrophobicContact CG2-CE2 3.62Å; V364-I424 HydrophobicContact CG2-CG2 4.37Å; V364-I428 HydrophobicContact CB-CD1 4.26Å; V364-I428 HydrophobicContact CG1-CD1 3.65Å; V364-I428 HydrophobicContact CG1-CG1 4.16Å; V364-I428 HydrophobicContact CG2-CD1 3.69Å |
| 365 | P | 86.5 | Confident | 80.1 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 137.1 | 171.1 | -26.7 | 36.1 | 0 | 0 | 0 | 111.9 | D367 K368 C369 | P365-D367 WeakPolarHBondContact CB-OD1 3.3Å; P365-D367 PolarHBondContact O-N 3.33Å; P365-K368 HydrophobicContact CB-CG 4.44Å; P365-K368 PolarHBondContact O-N 3.12Å; P365-C369 PolarHBondContact O-N 3.2Å |
| 366 | A | 79.5 | Confident | 81.7 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 31% | 0.314 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -32.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V364 C369 N404 R406 | V364-A366 PolarHBondContact O-N 2.92Å; A366-C369 WeakPolarHBondContact O-CB 3.46Å; A366-N404 WeakPolarHBondContact CB-O 3.4Å; A366-N404 PolarHBondContact N-O 3.07Å; A366-R406 HydrophobicContact CB-CG 4.01Å |
| 367 | D | 84.2 | Confident | 83.3 | Confident | 122 Ų | 122 | 64.2 Ų | 64.2 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.8 | -37.2 | 170.9 | 56 | -61.5 | 0 | 0 | 0 | 113.1 | P365 | P365-D367 WeakPolarHBondContact CB-OD1 3.3Å; P365-D367 PolarHBondContact O-N 3.33Å |
| 368 | K | 83.4 | Confident | 84.4 | Confident | 73 Ų | 73 | 65 Ų | 65 | 32% | 0.317 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -89.4 | -17.6 | 179.1 | -59.4 | -166.3 | 173.5 | -168.6 | 0 | 114 | V364 P365 G370 L371 V372 I428 | V364-K368 HydrophobicContact CG1-CB 4.09Å; P365-K368 HydrophobicContact CB-CG 4.44Å; P365-K368 PolarHBondContact O-N 3.12Å; K368-G370 PolarHBondContact O-N 2.8Å; K368-G370 VanDerWaalsContact O-N 3.16Å; K368-L371 WeakPolarHBondContact O-CB 3.46Å; K368-L371 PolarHBondContact O-N 2.85Å; K368-V372 PolarHBondContact O-N 3.45Å; K368-I428 HydrophobicContact CB-CG1 4.37Å; K368-I428 HydrophobicContact CD-CB 4.4Å; K368-I428 HydrophobicContact CD-CG2 3.73Å; K368-I428 PolarHBondContact NZ-O 3.24Å |
| 369 | C | 83.2 | Confident | 84.9 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.7 | -37.1 | 178.1 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | V364 P365 A366 L371 V372 I373 R406 | V364-C369 HydrophobicContact CG1-CB 4.42Å; P365-C369 PolarHBondContact O-N 3.2Å; A366-C369 WeakPolarHBondContact O-CB 3.46Å; C369-L371 VanDerWaalsContact C-N 3.29Å; C369-L371 PolarHBondContact O-N 3.07Å; C369-V372 PolarHBondContact O-N 3.02Å; C369-I373 WeakPolarHBondContact O-CG1 3.23Å; C369-I373 PolarHBondContact O-N 2.89Å; C369-I373 VanDerWaalsContact SG-CD1 3.59Å; C369-R406 HydrophobicContact CB-CB 3.91Å; C369-R406 HydrophobicContact CB-CG 3.88Å |
| 370 | G | 83.3 | Confident | 85.3 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -31.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K368 G374 | K368-G370 PolarHBondContact O-N 2.8Å; K368-G370 VanDerWaalsContact O-N 3.16Å; G370-G374 WeakPolarHBondContact O-CA 3.15Å; G370-G374 PolarHBondContact O-N 2.86Å |
| 371 | L | 85.9 | Confident | 85.6 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.8 | -33 | 177.2 | -57.3 | 174.8 | 0 | 0 | 0 | 112.1 | K368 C369 | K368-L371 WeakPolarHBondContact O-CB 3.46Å; K368-L371 PolarHBondContact O-N 2.85Å; C369-L371 VanDerWaalsContact C-N 3.29Å; C369-L371 PolarHBondContact O-N 3.07Å |
| 372 | V | 85.4 | Confident | 86 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.7 | -40.7 | 177.4 | -179 | 0 | 0 | 0 | 0 | 111.2 | V364 K368 C369 I380 I383 F408 I424 I428 | V364-V372 HydrophobicContact CG1-CG2 4.14Å; K368-V372 PolarHBondContact O-N 3.45Å; C369-V372 PolarHBondContact O-N 3.02Å; V372-I380 PolarHBondContact O-N 3.3Å; V372-I383 HydrophobicContact CG1-CD1 4.15Å; V372-F408 HydrophobicContact CB-CZ 4.17Å; V372-F408 HydrophobicContact CG1-CE1 4.21Å; V372-F408 HydrophobicContact CG1-CE2 4.31Å; V372-F408 HydrophobicContact CG1-CZ 3.9Å; V372-I424 HydrophobicContact CB-CG2 4.47Å; V372-I424 HydrophobicContact CG1-CB 4.46Å; V372-I424 HydrophobicContact CG1-CG1 4.07Å; V372-I424 HydrophobicContact CG1-CG2 3.76Å; V372-I424 HydrophobicContact CG2-CG2 3.81Å; V372-I428 HydrophobicContact CG2-CD1 3.91Å; V372-I428 HydrophobicContact CG2-CG1 3.69Å |
| 373 | I | 87.3 | Confident | 86.2 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.2 | -46.5 | 178.3 | -63.7 | 171.8 | 0 | 0 | 0 | 110.7 | C369 G377 T379 I380 L393 F408 | C369-I373 WeakPolarHBondContact O-CG1 3.23Å; C369-I373 PolarHBondContact O-N 2.89Å; C369-I373 VanDerWaalsContact SG-CD1 3.59Å; I373-G377 CarbonylContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-CA 3.28Å; I373-G377 WeakPolarHBondContact O-CA 3.28Å; I373-T379 PolarHBondContact O-N 3.49Å; I373-I380 HydrophobicContact CG2-CG2 4.21Å; I373-I380 PolarHBondContact O-N 2.64Å; I373-I380 VanDerWaalsContact O-N 3.1Å; I373-L393 HydrophobicContact CD1-CD2 4.04Å; I373-F408 HydrophobicContact CD1-CZ 4.35Å; I373-F408 HydrophobicContact CG1-CE1 4.1Å; I373-F408 HydrophobicContact CG1-CZ 4.04Å |
| 374 | G | 85.4 | Confident | 86.4 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 19% | 0.186 | 34% | 0.337 | C | S | . | . | trans | 75.2 | 167.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G370 G376 G377 T379 | G370-G374 WeakPolarHBondContact O-CA 3.15Å; G370-G374 PolarHBondContact O-N 2.86Å; G374-G376 PolarHBondContact O-N 2.83Å; G374-G377 PolarHBondContact O-N 3.1Å; G374-G377 VanDerWaalsContact O-N 3.15Å; G374-T379 WeakPolarHBondContact CA-OG1 3.38Å | ||
| 375 | K | 86.4 | Confident | 86.7 | Confident | 194 Ų | 194 | 66.1 Ų | 66.1 | 84% | 0.843 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -59.1 | 131.2 | 175.2 | -63.6 | 179.1 | -178.3 | 177.5 | 0 | 109.1 | G377 E378 | K375-G377 PolarHBondContact O-N 3.3Å; K375-E378 WeakPolarHBondContact O-CB 3.36Å; K375-E378 PolarHBondContact O-N 3.34Å; K375-E378 VanDerWaalsContact O-N 3.07Å |
| 376 | G | 83 | Confident | 87 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 77% | 0.773 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | 59.8 | 15.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | G374 E378 K381 | G374-G376 PolarHBondContact O-N 2.83Å; G376-E378 VanDerWaalsContact C-N 3.28Å; G376-E378 PolarHBondContact O-N 3.01Å; G376-K381 PolarHBondContact O-NZ 3Å |
| 377 | G | 86.5 | Confident | 87.4 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | 70.4 | 19.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I373 G374 K375 I380 K381 | I373-G377 CarbonylContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-CA 3.28Å; I373-G377 WeakPolarHBondContact O-CA 3.28Å; G374-G377 PolarHBondContact O-N 3.1Å; G374-G377 VanDerWaalsContact O-N 3.15Å; K375-G377 PolarHBondContact O-N 3.3Å; G377-I380 VanDerWaalsContact O-CG2 3.27Å; G377-I380 WeakPolarHBondContact O-CG2 3.41Å; G377-K381 WeakPolarHBondContact O-CD 3.23Å; G377-K381 VanDerWaalsContact O-CG 3.24Å; G377-K381 WeakPolarHBondContact O-CG 3.35Å; G377-K381 PolarHBondContact O-N 3.32Å; G377-K381 VanDerWaalsContact O-N 3.13Å |
| 378 | E | 88.8 | Confident | 87.7 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | -178.7 | -172.9 | 178.7 | -178.7 | 0 | 0 | 112.4 | K375 G376 I380 K381 N382 | K375-E378 WeakPolarHBondContact O-CB 3.36Å; K375-E378 PolarHBondContact O-N 3.34Å; K375-E378 VanDerWaalsContact O-N 3.07Å; G376-E378 VanDerWaalsContact C-N 3.28Å; G376-E378 PolarHBondContact O-N 3.01Å; E378-I380 PolarHBondContact O-N 3.07Å; E378-K381 WeakPolarHBondContact O-CB 3.36Å; E378-K381 PolarHBondContact O-N 2.89Å; E378-N382 PolarHBondContact O-N 2.83Å |
| 379 | T | 89.1 | Confident | 87.9 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | -177.9 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | I373 G374 K381 N382 I383 R427 | I373-T379 PolarHBondContact O-N 3.49Å; G374-T379 WeakPolarHBondContact CA-OG1 3.38Å; T379-K381 VanDerWaalsContact C-N 3.34Å; T379-K381 PolarHBondContact O-N 2.88Å; T379-N382 PolarHBondContact O-N 3.25Å; T379-I383 HydrophobicContact CG2-CD1 4.07Å; T379-I383 VanDerWaalsContact O-CG1 3.24Å; T379-I383 WeakPolarHBondContact O-CG1 3.49Å; T379-I383 PolarHBondContact O-N 3.07Å; T379-R427 HydrophobicContact CG2-CG 3.96Å |
| 380 | I | 90.2 | Very high | 88 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69 | -27.1 | 174.9 | -172.2 | 168.9 | 0 | 0 | 0 | 113.4 | V372 I373 G377 E378 K384 V391 F408 | V372-I380 PolarHBondContact O-N 3.3Å; I373-I380 HydrophobicContact CG2-CG2 4.21Å; I373-I380 PolarHBondContact O-N 2.64Å; I373-I380 VanDerWaalsContact O-N 3.1Å; G377-I380 VanDerWaalsContact O-CG2 3.27Å; G377-I380 WeakPolarHBondContact O-CG2 3.41Å; E378-I380 PolarHBondContact O-N 3.07Å; I380-K384 WeakPolarHBondContact O-CE 3.48Å; I380-K384 WeakPolarHBondContact O-CG 3.37Å; I380-K384 PolarHBondContact O-N 2.84Å; I380-K384 VanDerWaalsContact O-N 3.17Å; I380-V391 HydrophobicContact CD1-CG1 4.08Å; I380-V391 HydrophobicContact CG1-CB 4.47Å; I380-V391 HydrophobicContact CG1-CG1 4.25Å; I380-F408 HydrophobicContact CD1-CD1 4.19Å; I380-F408 HydrophobicContact CD1-CE1 3.93Å |
| 381 | K | 90 | Very high | 88.3 | Confident | 134 Ų | 134 | 68.2 Ų | 68.2 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.4 | -49.4 | 168.9 | -74 | 161.8 | -177.1 | 162.8 | 0 | 110.4 | G376 G377 E378 T379 I383 K384 E385 | G376-K381 PolarHBondContact O-NZ 3Å; G377-K381 WeakPolarHBondContact O-CD 3.23Å; G377-K381 VanDerWaalsContact O-CG 3.24Å; G377-K381 WeakPolarHBondContact O-CG 3.35Å; G377-K381 PolarHBondContact O-N 3.32Å; G377-K381 VanDerWaalsContact O-N 3.13Å; E378-K381 WeakPolarHBondContact O-CB 3.36Å; E378-K381 PolarHBondContact O-N 2.89Å; T379-K381 VanDerWaalsContact C-N 3.34Å; T379-K381 PolarHBondContact O-N 2.88Å; K381-I383 PolarHBondContact O-N 2.86Å; K381-K384 WeakPolarHBondContact O-CB 3.26Å; K381-K384 PolarHBondContact O-N 3.08Å; K381-E385 WeakPolarHBondContact O-CB 3.34Å; K381-E385 PolarHBondContact O-N 2.95Å |
| 382 | N | 91.4 | Very high | 88.2 | Confident | 53 Ų | 53 | 68.5 Ų | 68.5 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 179.4 | -174.3 | -107.9 | 0 | 0 | 0 | 112.7 | E378 T379 E385 Q386 | E378-N382 PolarHBondContact O-N 2.83Å; T379-N382 PolarHBondContact O-N 3.25Å; N382-E385 PolarHBondContact O-N 2.94Å; N382-Q386 WeakPolarHBondContact O-CB 3.46Å; N382-Q386 WeakPolarHBondContact O-CG 3.41Å; N382-Q386 PolarHBondContact O-N 3.28Å; N382-Q386 PolarHBondContact OD1-NE2 3.29Å |
| 383 | I | 90.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 172.3 | -70.1 | 165.5 | 0 | 0 | 0 | 110.7 | V372 T379 K381 S387 V391 L423 I424 R427 | V372-I383 HydrophobicContact CG1-CD1 4.15Å; T379-I383 HydrophobicContact CG2-CD1 4.07Å; T379-I383 VanDerWaalsContact O-CG1 3.24Å; T379-I383 WeakPolarHBondContact O-CG1 3.49Å; T379-I383 PolarHBondContact O-N 3.07Å; K381-I383 PolarHBondContact O-N 2.86Å; I383-S387 VanDerWaalsContact O-CB 3.24Å; I383-S387 WeakPolarHBondContact O-CB 3.48Å; I383-S387 PolarHBondContact O-N 3.31Å; I383-S387 PolarHBondContact O-OG 2.81Å; I383-V391 HydrophobicContact CG2-CG2 4.23Å; I383-L423 HydrophobicContact CG1-CB 4.16Å; I383-L423 HydrophobicContact CG2-CB 4.27Å; I383-I424 HydrophobicContact CD1-CG1 4.02Å; I383-I424 HydrophobicContact CG2-CD1 4.33Å; I383-I424 HydrophobicContact CG2-CG1 3.91Å; I383-R427 HydrophobicContact CD1-CG 4.42Å |
| 384 | K | 89.2 | Confident | 87.8 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 30% | 0.3 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 175.9 | -78.8 | -173.6 | -89.7 | -141.1 | 0 | 112.6 | I380 K381 S387 R388 A389 V391 | I380-K384 WeakPolarHBondContact O-CE 3.48Å; I380-K384 WeakPolarHBondContact O-CG 3.37Å; I380-K384 PolarHBondContact O-N 2.84Å; I380-K384 VanDerWaalsContact O-N 3.17Å; K381-K384 WeakPolarHBondContact O-CB 3.26Å; K381-K384 PolarHBondContact O-N 3.08Å; K384-S387 PolarHBondContact O-OG 2.85Å; K384-R388 VanDerWaalsContact O-CA 3.24Å; K384-R388 WeakPolarHBondContact O-CA 3.4Å; K384-R388 PolarHBondContact O-N 2.8Å; K384-A389 WeakPolarHBondContact CG-O 3.21Å; K384-V391 HydrophobicContact CD-CB 4.29Å; K384-V391 WeakPolarHBondContact CD-O 3.35Å; K384-V391 WeakPolarHBondContact CE-O 3.24Å; K384-V391 HydrophobicContact CG-CB 3.74Å; K384-V391 HydrophobicContact CG-CG2 3.98Å; K384-V391 PolarHBondContact NZ-O 2.9Å |
| 385 | E | 92.6 | Very high | 86.9 | Confident | 140 Ų | 140 | 80.7 Ų | 80.7 | 65% | 0.654 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.4 | -50.7 | 179.3 | 179.3 | 176.7 | -140.6 | 0 | 0 | 112 | K381 N382 R388 | K381-E385 WeakPolarHBondContact O-CB 3.34Å; K381-E385 PolarHBondContact O-N 2.95Å; N382-E385 PolarHBondContact O-N 2.94Å; E385-R388 PolarHBondContact O-N 2.83Å |
| 386 | Q | 91.3 | Very high | 85.6 | Confident | 78 Ų | 78 | 78.8 Ų | 78.8 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | -179.3 | -74.3 | -158 | 57.2 | 0 | 0 | 113.2 | N382 K419 L423 | N382-Q386 WeakPolarHBondContact O-CB 3.46Å; N382-Q386 WeakPolarHBondContact O-CG 3.41Å; N382-Q386 PolarHBondContact O-N 3.28Å; N382-Q386 PolarHBondContact OD1-NE2 3.29Å; Q386-K419 WeakPolarHBondContact O-CD 3.37Å; Q386-K419 WeakPolarHBondContact O-CE 3.5Å; Q386-K419 PolarHBondContact O-NZ 2.67Å; Q386-L423 HydrophobicContact CB-CD1 3.52Å |
| 387 | S | 89.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -78.2 | -25.4 | 179.3 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | I383 K384 A389 Q416 | I383-S387 VanDerWaalsContact O-CB 3.24Å; I383-S387 WeakPolarHBondContact O-CB 3.48Å; I383-S387 PolarHBondContact O-N 3.31Å; I383-S387 PolarHBondContact O-OG 2.81Å; K384-S387 PolarHBondContact O-OG 2.85Å; S387-A389 PolarHBondContact O-N 3.21Å; S387-A389 WeakPolarHBondContact OG-CB 3.24Å; S387-A389 PolarHBondContact OG-N 2.94Å; S387-A389 VanDerWaalsContact OG-N 3.08Å; S387-Q416 WeakPolarHBondContact O-CB 3.4Å; S387-Q416 WeakPolarHBondContact O-CG 3.22Å |
| 388 | R | 89 | Confident | 83.3 | Confident | 202 Ų | 202 | 81 Ų | 81 | 76% | 0.762 | 38% | 0.381 | S | S | * | . | trans | 56.5 | 17.7 | -163.1 | -58.2 | -180 | 175.1 | 172.9 | -3 | 113.6 | K384 E385 Q416 | K384-R388 VanDerWaalsContact O-CA 3.24Å; K384-R388 WeakPolarHBondContact O-CA 3.4Å; K384-R388 PolarHBondContact O-N 2.8Å; E385-R388 PolarHBondContact O-N 2.83Å; R388-Q416 HydrophobicContact CB-CG 4.41Å; R388-Q416 PolarHBondContact O-NE2 2.9Å | ||
| 389 | A | 87.2 | Confident | 81.9 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 5% | 0.05 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -91.4 | 153.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | K384 S387 V391 I410 Q416 A420 | K384-A389 WeakPolarHBondContact CG-O 3.21Å; S387-A389 PolarHBondContact O-N 3.21Å; S387-A389 WeakPolarHBondContact OG-CB 3.24Å; S387-A389 PolarHBondContact OG-N 2.94Å; S387-A389 VanDerWaalsContact OG-N 3.08Å; A389-V391 HydrophobicContact CB-CG2 4.47Å; A389-V391 PolarHBondContact O-N 3.03Å; A389-I410 HydrophobicContact CB-CG2 3.92Å; A389-Q416 HydrophobicContact CB-CB 4.09Å; A389-A420 HydrophobicContact CB-CB 3.84Å |
| 390 | H | 87.2 | Confident | 80.6 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 105.9 | 169.9 | -173.2 | 98 | 0 | 0 | 0 | 109.7 | I410 R411 | H390-I410 CarbonylContact O-C 3.59Å; H390-I410 WeakPolarHBondContact O-CA 3.48Å; H390-R411 HydrophobicContact CB-CB 4.35Å; H390-R411 PolarHBondContact N-O 2.97Å; H390-R411 PolarHBondContact O-N 2.77Å |
| 391 | V | 87.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.7 | 177.7 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | I380 I383 K384 A389 F408 S409 I410 A420 I424 | I380-V391 HydrophobicContact CD1-CG1 4.08Å; I380-V391 HydrophobicContact CG1-CB 4.47Å; I380-V391 HydrophobicContact CG1-CG1 4.25Å; I383-V391 HydrophobicContact CG2-CG2 4.23Å; K384-V391 HydrophobicContact CD-CB 4.29Å; K384-V391 WeakPolarHBondContact CD-O 3.35Å; K384-V391 WeakPolarHBondContact CE-O 3.24Å; K384-V391 HydrophobicContact CG-CB 3.74Å; K384-V391 HydrophobicContact CG-CG2 3.98Å; K384-V391 PolarHBondContact NZ-O 2.9Å; A389-V391 HydrophobicContact CB-CG2 4.47Å; A389-V391 PolarHBondContact O-N 3.03Å; V391-F408 HydrophobicContact CG1-CD1 4.22Å; V391-S409 WeakPolarHBondContact CA-O 3.22Å; V391-I410 HydrophobicContact CG1-CG1 4.28Å; V391-I410 HydrophobicContact CG2-CG1 4.27Å; V391-I410 HydrophobicContact CG2-CG2 4.21Å; V391-A420 HydrophobicContact CG2-CB 4.17Å; V391-I424 HydrophobicContact CG1-CD1 4.28Å |
| 392 | E | 85.6 | Confident | 78.4 | Confident | 108 Ų | 108 | 87.4 Ų | 87.4 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.3 | 177.1 | 178.8 | 163.4 | -135.9 | 0 | 0 | 111.7 | F408 S409 | E392-F408 CarbonylContact O-C 3.47Å; E392-F408 VanDerWaalsContact O-CA 3.22Å; E392-F408 WeakPolarHBondContact O-CA 3.24Å; E392-S409 PolarHBondContact N-O 2.96Å; E392-S409 PolarHBondContact O-N 2.94Å |
| 393 | L | 85.1 | Confident | 77.3 | Confident | 45 Ų | 45 | 90.1 Ų | 90.1 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119 | 170.8 | 178 | 75.8 | 0 | 0 | 0 | 109.5 | I373 R395 R406 F408 | I373-L393 HydrophobicContact CD1-CD2 4.04Å; L393-R395 PolarHBondContact O-N 3.27Å; L393-R406 HydrophobicContact CD1-CB 4.1Å; L393-F408 HydrophobicContact CB-CD1 4.08Å; L393-F408 HydrophobicContact CB-CE1 3.92Å; L393-F408 HydrophobicContact CD1-CD1 4.16Å; L393-F408 HydrophobicContact CD1-CD2 4.38Å; L393-F408 HydrophobicContact CD1-CE1 3.8Å; L393-F408 HydrophobicContact CD1-CE2 4.04Å; L393-F408 HydrophobicContact CD1-CG 4.45Å; L393-F408 HydrophobicContact CD1-CZ 3.75Å; L393-F408 HydrophobicContact CG-CE1 4.46Å |
| 394 | Q | 78.6 | Confident | 76.7 | Confident | 61 Ų | 61 | 96 Ų | 96 | 29% | 0.285 | 49% | 0.486 | S | S | . | . | trans | -67.8 | 117.8 | 173.9 | -67.8 | -173 | -9.8 | 0 | 0 | 110.1 | I407 | Q394-I407 HydrophobicContact CB-CB 4.37Å; Q394-I407 HydrophobicContact CB-CG2 4.32Å; Q394-I407 HydrophobicContact CG-CG2 4.18Å; Q394-I407 PolarHBondContact N-O 3.15Å; Q394-I407 VanDerWaalsContact OE1-CG2 3.22Å | ||
| 395 | R | 66.3 | Low | 76.4 | Confident | 215 Ų | 215 | 94.9 Ų | 94.9 | 81% | 0.811 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -82.4 | -30.6 | -178.7 | -60.8 | -173.4 | -175.7 | -160.9 | 1.3 | 113.3 | L393 P397 | L393-R395 PolarHBondContact O-N 3.27Å; R395-P397 WeakPolarHBondContact O-CD 3.38Å |
| 396 | N | 59.8 | Low | 76 | Confident | 155 Ų | 155 | 93.5 Ų | 93.5 | 83% | 0.829 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -111.2 | 91.3 | 170.3 | -86.1 | 3.3 | 0 | 0 | 0 | 109.3 | ||
| 397 | P | 59.9 | Low | 75.6 | Confident | 55 Ų | 55 | 90.7 Ų | 90.7 | 36% | 0.357 | 46% | 0.462 | S | S | . | . | trans | -69 | 157.5 | 162.8 | 32.3 | -35.2 | 0 | 0 | 0 | 110.4 | R395 T401 I407 | R395-P397 WeakPolarHBondContact O-CD 3.38Å; P397-T401 HydrophobicContact CB-CG2 3.99Å; P397-I407 HydrophobicContact CB-CD1 4.18Å | ||
| 398 | P | 61.5 | Low | 75.5 | Confident | 79 Ų | 79 | 90.5 Ų | 90.5 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | trans | -64.3 | 154.3 | 175.6 | 26.8 | -33.3 | 0 | 0 | 0 | 111.5 | N400 T401 | P398-N400 PolarHBondContact O-N 2.82Å; P398-T401 WeakPolarHBondContact CD-OG1 3.37Å; P398-T401 WeakPolarHBondContact O-CB 3Å; P398-T401 PolarHBondContact O-N 3.16Å; P398-T401 PolarHBondContact O-OG1 3.35Å | ||
| 399 | P | 57.7 | Low | 75.5 | Confident | 146 Ų | 146 | 81.3 Ų | 81.3 | 95% | 0.948 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -3.4 | -165 | 26.5 | -36.5 | 0 | 0 | 0 | 116.1 | ||
| 400 | N | 62.3 | Low | 75.6 | Confident | 162 Ų | 162 | 81 Ų | 81 | 87% | 0.866 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 38.8 | 176.3 | -161.1 | 79.3 | 0 | 0 | 0 | 111.4 | P398 | P398-N400 PolarHBondContact O-N 2.82Š|
| 401 | T | 63.8 | Low | 75.6 | Confident | 40 Ų | 40 | 81.9 Ų | 81.9 | 25% | 0.245 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -109.5 | 131.2 | 178 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | P397 P398 I407 | P397-T401 HydrophobicContact CB-CG2 3.99Å; P398-T401 WeakPolarHBondContact CD-OG1 3.37Å; P398-T401 WeakPolarHBondContact O-CB 3Å; P398-T401 PolarHBondContact O-N 3.16Å; P398-T401 PolarHBondContact O-OG1 3.35Å; T401-I407 HydrophobicContact CG2-CD1 3.78Å; T401-I407 HydrophobicContact CG2-CG1 4.39Å |
| 402 | D | 71 | Confident | 75.6 | Confident | 111 Ų | 111 | 82 Ų | 82 | 59% | 0.594 | 42% | 0.424 | S | S | * | . | trans | -57.3 | 133.2 | 177 | -64.2 | -74.7 | 0 | 0 | 0 | 112.1 | N404 V405 | D402-N404 PolarHBondContact O-N 2.91Å; D402-N404 VanDerWaalsContact O-N 3.09Å; D402-V405 HydrophobicContact CB-CG2 4.11Å; D402-V405 PolarHBondContact O-N 3.22Å | ||
| 403 | P | 68.3 | Low | 75.9 | Confident | 111 Ų | 111 | 79.3 Ų | 79.3 | 72% | 0.721 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.1 | 178.1 | 27.5 | -35.4 | 0 | 0 | 0 | 112.8 | V405 | P403-V405 VanDerWaalsContact C-N 3.26Å; P403-V405 PolarHBondContact O-N 3.42Å |
| 404 | N | 77.2 | Confident | 75.9 | Confident | 124 Ų | 124 | 79.7 Ų | 79.7 | 66% | 0.663 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0 | 175.9 | -63.9 | -15.9 | 0 | 0 | 0 | 113.2 | A366 D402 | A366-N404 WeakPolarHBondContact CB-O 3.4Å; A366-N404 PolarHBondContact N-O 3.07Å; D402-N404 PolarHBondContact O-N 2.91Å; D402-N404 VanDerWaalsContact O-N 3.09Å |
| 405 | V | 82.3 | Confident | 76.3 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 28% | 0.279 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.2 | 179.4 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | A363 D402 P403 I407 | A363-V405 HydrophobicContact CB-CG1 3.81Å; D402-V405 HydrophobicContact CB-CG2 4.11Å; D402-V405 PolarHBondContact O-N 3.22Å; P403-V405 VanDerWaalsContact C-N 3.26Å; P403-V405 PolarHBondContact O-N 3.42Å; V405-I407 HydrophobicContact CG1-CG1 4.45Å |
| 406 | R | 83.5 | Confident | 77.4 | Confident | 111 Ų | 111 | 77 Ų | 77 | 42% | 0.419 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.5 | 174.4 | -68.2 | -64.1 | -175.1 | 175 | -3.2 | 109.3 | V364 A366 C369 L393 | V364-R406 PolarHBondContact N-O 2.97Å; V364-R406 PolarHBondContact O-N 3.47Å; A366-R406 HydrophobicContact CB-CG 4.01Å; C369-R406 HydrophobicContact CB-CB 3.91Å; C369-R406 HydrophobicContact CB-CG 3.88Å; L393-R406 HydrophobicContact CD1-CB 4.1Å |
| 407 | I | 84.6 | Confident | 78.8 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.7 | -173.8 | -63.4 | -178.5 | 0 | 0 | 0 | 109.9 | T361 Q394 P397 T401 V405 | T361-I407 HydrophobicContact CG2-CG2 3.28Å; Q394-I407 HydrophobicContact CB-CB 4.37Å; Q394-I407 HydrophobicContact CB-CG2 4.32Å; Q394-I407 HydrophobicContact CG-CG2 4.18Å; Q394-I407 PolarHBondContact N-O 3.15Å; Q394-I407 VanDerWaalsContact OE1-CG2 3.22Å; P397-I407 HydrophobicContact CB-CD1 4.18Å; T401-I407 HydrophobicContact CG2-CD1 3.78Å; T401-I407 HydrophobicContact CG2-CG1 4.39Å; V405-I407 HydrophobicContact CG1-CG1 4.45Å |
| 408 | F | 87.7 | Confident | 80 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.6 | 168.7 | -64.6 | -94.1 | 0 | 0 | 0 | 109.8 | Y362 V364 V372 I373 I380 V391 E392 L393 | Y362-F408 PolarHBondContact N-O 3.09Å; Y362-F408 PolarHBondContact O-N 3.16Å; V364-F408 HydrophobicContact CB-CD2 4.2Å; V364-F408 HydrophobicContact CB-CE2 3.86Å; V364-F408 HydrophobicContact CG1-CE2 4.44Å; V364-F408 HydrophobicContact CG2-CD2 3.62Å; V364-F408 HydrophobicContact CG2-CE2 3.62Å; V372-F408 HydrophobicContact CB-CZ 4.17Å; V372-F408 HydrophobicContact CG1-CE1 4.21Å; V372-F408 HydrophobicContact CG1-CE2 4.31Å; V372-F408 HydrophobicContact CG1-CZ 3.9Å; I373-F408 HydrophobicContact CD1-CZ 4.35Å; I373-F408 HydrophobicContact CG1-CE1 4.1Å; I373-F408 HydrophobicContact CG1-CZ 4.04Å; I380-F408 HydrophobicContact CD1-CD1 4.19Å; I380-F408 HydrophobicContact CD1-CE1 3.93Å; V391-F408 HydrophobicContact CG1-CD1 4.22Å; E392-F408 CarbonylContact O-C 3.47Å; E392-F408 VanDerWaalsContact O-CA 3.22Å; E392-F408 WeakPolarHBondContact O-CA 3.24Å; L393-F408 HydrophobicContact CB-CD1 4.08Å; L393-F408 HydrophobicContact CB-CE1 3.92Å; L393-F408 HydrophobicContact CD1-CD1 4.16Å; L393-F408 HydrophobicContact CD1-CD2 4.38Å; L393-F408 HydrophobicContact CD1-CE1 3.8Å; L393-F408 HydrophobicContact CD1-CE2 4.04Å; L393-F408 HydrophobicContact CD1-CG 4.45Å; L393-F408 HydrophobicContact CD1-CZ 3.75Å; L393-F408 HydrophobicContact CG-CE1 4.46Å |
| 409 | S | 87.5 | Confident | 81.3 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.063 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134 | 161.2 | -180 | 0 | 0 | 0 | 0 | 109.2 | E359 V391 E392 | E359-S409 VanDerWaalsContact CD-OG 3.26Å; E359-S409 VanDerWaalsContact CG-OG 3.23Å; E359-S409 WeakPolarHBondContact CG-OG 3.48Å; E359-S409 PolarHBondContact OE1-OG 3.46Å; V391-S409 WeakPolarHBondContact CA-O 3.22Å; E392-S409 PolarHBondContact N-O 2.96Å; E392-S409 PolarHBondContact O-N 2.94Å |
| 410 | I | 89.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.5 | 173.4 | -53 | 176.5 | 0 | 0 | 0 | 108 | E359 V360 Y362 A389 H390 V391 L417 A420 I424 | E359-I410 WeakPolarHBondContact CA-O 3.48Å; V360-I410 PolarHBondContact N-O 2.82Å; V360-I410 PolarHBondContact O-N 3.41Å; Y362-I410 HydrophobicContact CG-CD1 4.27Å; A389-I410 HydrophobicContact CB-CG2 3.92Å; H390-I410 CarbonylContact O-C 3.59Å; H390-I410 WeakPolarHBondContact O-CA 3.48Å; V391-I410 HydrophobicContact CG1-CG1 4.28Å; V391-I410 HydrophobicContact CG2-CG1 4.27Å; V391-I410 HydrophobicContact CG2-CG2 4.21Å; I410-L417 HydrophobicContact CB-CD1 3.75Å; I410-L417 HydrophobicContact CD1-CD1 4.26Å; I410-L417 HydrophobicContact CG2-CD1 3.53Å; I410-A420 HydrophobicContact CD1-CB 4.34Å; I410-A420 HydrophobicContact CG2-CB 3.73Å; I410-I424 HydrophobicContact CD1-CD1 3.62Å; I410-I424 HydrophobicContact CG1-CD1 4.43Å |
| 411 | R | 87.1 | Confident | 84 | Confident | 121 Ų | 121 | 65 Ų | 65 | 46% | 0.457 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128 | 177.2 | -166.4 | -173.3 | -66.5 | 155.4 | 0.8 | 111.7 | Q358 E359 H390 | Q358-R411 CarbonylContact O-C 3.55Å; Q358-R411 VanDerWaalsContact O-CA 3.26Å; Q358-R411 WeakPolarHBondContact O-CA 3.44Å; E359-R411 HydrophobicContact CB-CB 4.32Å; E359-R411 HydrophobicContact CB-CG 4.11Å; E359-R411 HydrophobicContact CG-CB 4.27Å; E359-R411 IonicContact OE1-NH2 2.65Å; E359-R411 IonicContact OE2-CZ 3.99Å; E359-R411 IonicContact OE2-NE 2.69Å; E359-R411 PolarHBondContact OE2-NE 3.25Å; E359-R411 IonicContact OE2-NH2 3.09Å; E359-R411 PolarHBondContact OE2-NH2 2.87Å; H390-R411 HydrophobicContact CB-CB 4.35Å; H390-R411 PolarHBondContact N-O 2.97Å; H390-R411 PolarHBondContact O-N 2.77Å |
| 412 | G | 89.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -176.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q358 | Q358-G412 PolarHBondContact N-O 3.44Å; Q358-G412 PolarHBondContact O-N 3.45Å; Q358-G412 VanDerWaalsContact O-O 3.12Å |
| 413 | T | 90.7 | Very high | 86.1 | Confident | 52 Ų | 52 | 64.3 Ų | 64.3 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | trans | -69.1 | 162.8 | 165.8 | 69.1 | 0 | 0 | 0 | 0 | 110.5 | L357 Q415 Q416 L417 | L357-T413 HydrophobicContact CD2-CG2 4.23Å; T413-Q415 PolarHBondContact O-N 2.86Å; T413-Q415 VanDerWaalsContact O-N 3.14Å; T413-Q416 WeakPolarHBondContact O-CB 3.46Å; T413-Q416 PolarHBondContact O-N 3.38Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.26Å; T413-Q416 PolarHBondContact OG1-OE1 3.26Å; T413-L417 PolarHBondContact O-N 2.94Å | ||
| 414 | A | 84.9 | Confident | 87.1 | Confident | 54 Ų | 54 | 59 Ų | 59 | 45% | 0.446 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -52.6 | -38.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E418 | A414-E418 WeakPolarHBondContact O-CB 3.23Å; A414-E418 PolarHBondContact O-N 2.82Å |
| 415 | Q | 87.5 | Confident | 87.5 | Confident | 168 Ų | 168 | 56.2 Ų | 56.2 | 79% | 0.785 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.8 | -36.6 | 176.8 | -68.5 | -177 | -14.1 | 0 | 0 | 113 | T413 K419 | T413-Q415 PolarHBondContact O-N 2.86Å; T413-Q415 VanDerWaalsContact O-N 3.14Å; Q415-K419 WeakPolarHBondContact O-CB 3.36Å; Q415-K419 PolarHBondContact O-N 3.45Å; Q415-K419 VanDerWaalsContact O-N 3.15Å |
| 416 | Q | 89.9 | Confident | 87.6 | Confident | 50 Ų | 50 | 59 Ų | 59 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -42 | 176.1 | -66.8 | 173.1 | -42.4 | 0 | 0 | 110.9 | S387 R388 A389 T413 K419 A420 | S387-Q416 WeakPolarHBondContact O-CB 3.4Å; S387-Q416 WeakPolarHBondContact O-CG 3.22Å; R388-Q416 HydrophobicContact CB-CG 4.41Å; R388-Q416 PolarHBondContact O-NE2 2.9Å; A389-Q416 HydrophobicContact CB-CB 4.09Å; T413-Q416 WeakPolarHBondContact O-CB 3.46Å; T413-Q416 PolarHBondContact O-N 3.38Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.26Å; T413-Q416 PolarHBondContact OG1-OE1 3.26Å; Q416-K419 PolarHBondContact O-N 2.87Å; Q416-A420 WeakPolarHBondContact O-CB 3.44Å; Q416-A420 PolarHBondContact O-N 2.81Å |
| 417 | L | 87.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 175.6 | 170.1 | 60.6 | 0 | 0 | 0 | 111.7 | V360 I410 T413 K419 A420 R421 | V360-L417 HydrophobicContact CB-CD1 3.88Å; V360-L417 HydrophobicContact CB-CD2 3.81Å; V360-L417 HydrophobicContact CG1-CD1 4.3Å; V360-L417 HydrophobicContact CG1-CD2 4.42Å; V360-L417 HydrophobicContact CG2-CD2 3.51Å; I410-L417 HydrophobicContact CB-CD1 3.75Å; I410-L417 HydrophobicContact CD1-CD1 4.26Å; I410-L417 HydrophobicContact CG2-CD1 3.53Å; T413-L417 PolarHBondContact O-N 2.94Å; L417-K419 VanDerWaalsContact C-N 3.33Å; L417-K419 PolarHBondContact O-N 2.62Å; L417-A420 WeakPolarHBondContact O-CB 3.38Å; L417-A420 PolarHBondContact O-N 3.19Å; L417-R421 WeakPolarHBondContact O-CB 3.4Å; L417-R421 PolarHBondContact O-N 3.17Å |
| 418 | E | 85.7 | Confident | 87.5 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | -179.5 | -171.9 | 62.6 | -169.6 | 0 | 0 | 111.5 | A414 R421 Q422 | A414-E418 WeakPolarHBondContact O-CB 3.23Å; A414-E418 PolarHBondContact O-N 2.82Å; E418-R421 PolarHBondContact O-N 2.86Å; E418-Q422 WeakPolarHBondContact O-CB 3.42Å; E418-Q422 PolarHBondContact O-N 3.2Å |
| 419 | K | 88.3 | Confident | 86.4 | Confident | 91 Ų | 91 | 61.6 Ų | 61.6 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 174.5 | -170.5 | 172.1 | -178.8 | -165 | 0 | 112.6 | Q386 Q415 Q416 L417 L423 | Q386-K419 WeakPolarHBondContact O-CD 3.37Å; Q386-K419 WeakPolarHBondContact O-CE 3.5Å; Q386-K419 PolarHBondContact O-NZ 2.67Å; Q415-K419 WeakPolarHBondContact O-CB 3.36Å; Q415-K419 PolarHBondContact O-N 3.45Å; Q415-K419 VanDerWaalsContact O-N 3.15Å; Q416-K419 PolarHBondContact O-N 2.87Å; L417-K419 VanDerWaalsContact C-N 3.33Å; L417-K419 PolarHBondContact O-N 2.62Å; K419-L423 HydrophobicContact CG-CD1 4.1Å; K419-L423 WeakPolarHBondContact O-CB 3.27Å; K419-L423 WeakPolarHBondContact O-CD1 3.4Å; K419-L423 VanDerWaalsContact O-CG 3.26Å; K419-L423 WeakPolarHBondContact O-CG 3.24Å; K419-L423 PolarHBondContact O-N 3.34Å; K419-L423 VanDerWaalsContact O-N 3.1Å |
| 420 | A | 89.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | A389 V391 I410 Q416 L417 L423 I424 | A389-A420 HydrophobicContact CB-CB 3.84Å; V391-A420 HydrophobicContact CG2-CB 4.17Å; I410-A420 HydrophobicContact CD1-CB 4.34Å; I410-A420 HydrophobicContact CG2-CB 3.73Å; Q416-A420 WeakPolarHBondContact O-CB 3.44Å; Q416-A420 PolarHBondContact O-N 2.81Å; L417-A420 WeakPolarHBondContact O-CB 3.38Å; L417-A420 PolarHBondContact O-N 3.19Å; A420-L423 PolarHBondContact O-N 3.47Å; A420-I424 WeakPolarHBondContact O-CD1 3.4Å; A420-I424 WeakPolarHBondContact O-CG1 3.4Å; A420-I424 PolarHBondContact O-N 3.09Å |
| 421 | R | 88.8 | Confident | 82.1 | Confident | 118 Ų | 118 | 69.3 Ų | 69.3 | 45% | 0.445 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.2 | -53.5 | 174.9 | 178.4 | 174.2 | -168.6 | 155.7 | 10.5 | 111.3 | Y362 L417 E418 L423 I424 D425 | Y362-R421 HydrophobicContact CD2-CG 4.23Å; Y362-R421 HydrophobicContact CE2-CG 3.85Å; L417-R421 WeakPolarHBondContact O-CB 3.4Å; L417-R421 PolarHBondContact O-N 3.17Å; E418-R421 PolarHBondContact O-N 2.86Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 2.98Å; R421-I424 PolarHBondContact O-N 3.18Å; R421-D425 WeakPolarHBondContact CG-OD2 3.38Å; R421-D425 IonicContact NE-OD2 3.21Å; R421-D425 PolarHBondContact O-N 3.48Å |
| 422 | Q | 87.6 | Confident | 79.8 | Confident | 123 Ų | 123 | 67.3 Ų | 67.3 | 58% | 0.575 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -54 | -46.1 | 178.5 | -176.5 | -177.3 | -1 | 0 | 0 | 112.2 | E418 I424 D425 E426 | E418-Q422 WeakPolarHBondContact O-CB 3.42Å; E418-Q422 PolarHBondContact O-N 3.2Å; Q422-I424 VanDerWaalsContact C-N 3.27Å; Q422-I424 PolarHBondContact O-N 2.93Å; Q422-D425 PolarHBondContact O-N 3.05Å; Q422-E426 WeakPolarHBondContact O-CB 3.33Å; Q422-E426 PolarHBondContact O-N 3.2Å |
| 423 | L | 90 | Very high | 77.5 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 7% | 0.073 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.6 | -23.7 | 179.6 | -70.4 | 165.7 | 0 | 0 | 0 | 113.4 | I383 Q386 K419 A420 R421 R427 | I383-L423 HydrophobicContact CG1-CB 4.16Å; I383-L423 HydrophobicContact CG2-CB 4.27Å; Q386-L423 HydrophobicContact CB-CD1 3.52Å; K419-L423 HydrophobicContact CG-CD1 4.1Å; K419-L423 WeakPolarHBondContact O-CB 3.27Å; K419-L423 WeakPolarHBondContact O-CD1 3.4Å; K419-L423 VanDerWaalsContact O-CG 3.26Å; K419-L423 WeakPolarHBondContact O-CG 3.24Å; K419-L423 PolarHBondContact O-N 3.34Å; K419-L423 VanDerWaalsContact O-N 3.1Å; A420-L423 PolarHBondContact O-N 3.47Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 2.98Å; L423-R427 WeakPolarHBondContact O-CG 3.45Å |
| 424 | I | 89.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -82.3 | -47.1 | 173.8 | -64.4 | 161.5 | 0 | 0 | 0 | 110 | Y362 V364 V372 I383 V391 I410 A420 R421 Q422 E426 R427 I428 | Y362-I424 HydrophobicContact CD1-CD1 4.5Å; Y362-I424 HydrophobicContact CD1-CG2 3.98Å; Y362-I424 HydrophobicContact CE1-CB 4.14Å; Y362-I424 HydrophobicContact CE1-CG2 3.29Å; V364-I424 HydrophobicContact CG2-CG2 4.37Å; V372-I424 HydrophobicContact CB-CG2 4.47Å; V372-I424 HydrophobicContact CG1-CB 4.46Å; V372-I424 HydrophobicContact CG1-CG1 4.07Å; V372-I424 HydrophobicContact CG1-CG2 3.76Å; V372-I424 HydrophobicContact CG2-CG2 3.81Å; I383-I424 HydrophobicContact CD1-CG1 4.02Å; I383-I424 HydrophobicContact CG2-CD1 4.33Å; I383-I424 HydrophobicContact CG2-CG1 3.91Å; V391-I424 HydrophobicContact CG1-CD1 4.28Å; I410-I424 HydrophobicContact CD1-CD1 3.62Å; I410-I424 HydrophobicContact CG1-CD1 4.43Å; A420-I424 WeakPolarHBondContact O-CD1 3.4Å; A420-I424 WeakPolarHBondContact O-CG1 3.4Å; A420-I424 PolarHBondContact O-N 3.09Å; R421-I424 PolarHBondContact O-N 3.18Å; Q422-I424 VanDerWaalsContact C-N 3.27Å; Q422-I424 PolarHBondContact O-N 2.93Å; I424-E426 PolarHBondContact O-N 3.46Å; I424-R427 PolarHBondContact O-N 3.19Å; I424-I428 HydrophobicContact CG2-CD1 3.61Å; I424-I428 HydrophobicContact CG2-CG1 4.42Å; I424-I428 WeakPolarHBondContact O-CG1 3.28Å; I424-I428 PolarHBondContact O-N 2.96Å |
| 425 | D | 85.6 | Confident | 72.4 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 35% | 0.353 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.5 | -37.2 | 174.2 | -82.6 | -56.9 | 0 | 0 | 0 | 111.3 | Y362 R421 Q422 R427 I428 G429 | Y362-D425 PolarHBondContact OH-OD1 3.13Å; Y362-D425 PolarHBondContact OH-OD2 3.1Å; R421-D425 WeakPolarHBondContact CG-OD2 3.38Å; R421-D425 IonicContact NE-OD2 3.21Å; R421-D425 PolarHBondContact O-N 3.48Å; Q422-D425 PolarHBondContact O-N 3.05Å; D425-R427 PolarHBondContact O-N 2.78Å; D425-I428 PolarHBondContact O-N 2.84Å; D425-G429 PolarHBondContact O-N 2.73Å |
| 426 | E | 85.3 | Confident | 69.8 | Low | 104 Ų | 104 | 78.6 Ų | 78.6 | 49% | 0.486 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 173.9 | -169 | -175.4 | 132.5 | 0 | 0 | 112.8 | Q422 I424 I428 G430 | Q422-E426 WeakPolarHBondContact O-CB 3.33Å; Q422-E426 PolarHBondContact O-N 3.2Å; I424-E426 PolarHBondContact O-N 3.46Å; E426-I428 VanDerWaalsContact C-N 3.34Å; E426-G430 PolarHBondContact O-N 2.91Å; E426-G430 VanDerWaalsContact O-N 3.12Å |
| 427 | R | 82.4 | Confident | 67.1 | Low | 99 Ų | 99 | 81.9 Ų | 81.9 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78 | -18 | 176.2 | -59.9 | -63 | 177.9 | -162.7 | -2.9 | 113.5 | T379 I383 L423 I424 D425 | T379-R427 HydrophobicContact CG2-CG 3.96Å; I383-R427 HydrophobicContact CD1-CG 4.42Å; L423-R427 WeakPolarHBondContact O-CG 3.45Å; I424-R427 PolarHBondContact O-N 3.19Å; D425-R427 PolarHBondContact O-N 2.78Å |
| 428 | I | 82.6 | Confident | 64.4 | Low | 27 Ų | 27 | 87 Ų | 87 | 14% | 0.138 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -93.9 | -32 | 179.7 | -72.6 | 171.5 | 0 | 0 | 0 | 112 | Y362 V364 K368 V372 I424 D425 E426 | Y362-I428 HydrophobicContact CE1-CD1 3.96Å; V364-I428 HydrophobicContact CB-CD1 4.26Å; V364-I428 HydrophobicContact CG1-CD1 3.65Å; V364-I428 HydrophobicContact CG1-CG1 4.16Å; V364-I428 HydrophobicContact CG2-CD1 3.69Å; K368-I428 HydrophobicContact CB-CG1 4.37Å; K368-I428 HydrophobicContact CD-CB 4.4Å; K368-I428 HydrophobicContact CD-CG2 3.73Å; K368-I428 PolarHBondContact NZ-O 3.24Å; V372-I428 HydrophobicContact CG2-CD1 3.91Å; V372-I428 HydrophobicContact CG2-CG1 3.69Å; I424-I428 HydrophobicContact CG2-CD1 3.61Å; I424-I428 HydrophobicContact CG2-CG1 4.42Å; I424-I428 WeakPolarHBondContact O-CG1 3.28Å; I424-I428 PolarHBondContact O-N 2.96Å; D425-I428 PolarHBondContact O-N 2.84Å; E426-I428 VanDerWaalsContact C-N 3.34Å |
| 429 | G | 66.4 | Low | 61.8 | Low | 59 Ų | 59 | 90.8 Ų | 90.8 | 61% | 0.608 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -111.8 | -3.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D425 P431 | D425-G429 PolarHBondContact O-N 2.73Å; G429-P431 VanDerWaalsContact O-CD 3.22Å; G429-P431 WeakPolarHBondContact O-CD 3.39Å |
| 430 | G | 43.5 | Very low | 58.9 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 57% | 0.567 | 55% | 0.545 | S | S | * | . | trans | -73.1 | 115.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E426 | E426-G430 PolarHBondContact O-N 2.91Å; E426-G430 VanDerWaalsContact O-N 3.12Å | ||
| 431 | P | 43.3 | Very low | 56.2 | Low | 117 Ų | 117 | 98.6 Ų | 98.6 | 76% | 0.76 | 59% | 0.589 | S | S | * | * | trans | -68 | 169.9 | 158.7 | 32.8 | -35.2 | 0 | 0 | 0 | 110.1 | G429 I433 | G429-P431 VanDerWaalsContact O-CD 3.22Å; G429-P431 WeakPolarHBondContact O-CD 3.39Å; P431-I433 PolarHBondContact O-N 3.36Å | ||
| 432 | G | 37 | Very low | 53.5 | Low | 79 Ų | 79 | 98.3 Ų | 98.3 | 81% | 0.814 | 61% | 0.605 | S | S | * | * | trans | -55.6 | 128.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G434 | G432-G434 PolarHBondContact O-N 3.03Š| ||
| 433 | I | 41.2 | Very low | 51.9 | Low | 178 Ų | 178 | 97.5 Ų | 97.5 | 91% | 0.913 | 61% | 0.611 | S | S | * | * | trans | -71.8 | 103.9 | 175.1 | -66.7 | 178.2 | 0 | 0 | 0 | 109.1 | P431 | P431-I433 PolarHBondContact O-N 3.36Š| ||
| 434 | G | 35.2 | Very low | 49 | Very low | 63 Ų | 63 | 106.8 Ų | 106.8 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | trans | -140.8 | 107.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | G432 | G432-G434 PolarHBondContact O-N 3.03Š| ||
| 435 | S | 34.5 | Very low | 46.3 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | trans | 64.8 | 97.4 | 167.2 | -58.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 436 | N | 32.2 | Very low | 43.8 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | 41.8 | 112.5 | 118.2 | -159.9 | 49.6 | 0 | 0 | 0 | 119.6 | |||||
| 437 | S | 33.2 | Very low | 41 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -77.5 | 128.8 | 174.3 | -49.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 438 | N | 31.2 | Very low | 40 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | trans | -157.7 | 133.4 | 162 | -156.9 | 16.4 | 0 | 0 | 0 | 111.9 | ||||
| 439 | F | 30.2 | Very low | 37.5 | Very low | 195 Ų | 195 | 124.2 Ų | 124.2 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 57.7 | 155 | -175.1 | -69.9 | -103.6 | 0 | 0 | 0 | 115.2 | ||||
| 440 | G | 28.8 | Very low | 35.8 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | cis | 148.4 | 120.1 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 441 | M | 31.5 | Very low | 36.2 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | trans | 24.6 | 132.4 | 167.3 | -63.5 | -61.9 | -175 | 0 | 0 | 122.1 | ||||
| 442 | S | 33.2 | Very low | 36.7 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -56.8 | 167.6 | 159.9 | -30.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 443 | P | 53 | Low | 36.3 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -150.7 | -166.3 | 38.7 | 32.8 | -5.2 | 0 | 0 | 0 | 117.9 | ||||
| 444 | Y | 30.2 | Very low | 35.8 | Very low | 208 Ų | 208 | 134.8 Ų | 134.8 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | 68.2 | 161.6 | 175 | -74 | -93.4 | 0 | 0 | 0 | 116.5 | ||||
| 445 | N | 32.8 | Very low | 35.4 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | cis | -140.4 | 176.4 | 9.9 | -164 | 17.2 | 0 | 0 | 0 | 113.4 | ||||
| 446 | Q | 31.2 | Very low | 35.9 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -100.5 | 165.7 | -179.4 | -52.8 | 173.3 | 5.9 | 0 | 0 | 113.8 | ||||
| 447 | G | 27.6 | Very low | 35.8 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 135.9 | 128.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 448 | P | 61.1 | Low | 35.4 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -119.7 | 163.9 | 176.2 | 41 | -31 | 0 | 0 | 0 | 115.4 | ||||
| 449 | T | 29.3 | Very low | 35.3 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -146.6 | 152.1 | 172.4 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 450 | T | 30.9 | Very low | 35.2 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -147.4 | -155 | -170.4 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 451 | P | 52.6 | Low | 35.1 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | cis | -120.1 | -43.9 | -34.2 | 19.1 | -6 | 0 | 0 | 0 | 124 | ||||
| 452 | P | 54.2 | Low | 35 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | -135.7 | 127.9 | -118 | 36.8 | -17.5 | 0 | 0 | 0 | 119.9 | |||||
| 453 | Q | 27.8 | Very low | 34.5 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -178.5 | 144.1 | 141.6 | -100.6 | -176.6 | 18 | 0 | 0 | 108.7 | ||||
| 454 | H | 31.1 | Very low | 33.3 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | cis | -140.1 | 167.8 | -2.2 | -106.9 | -68.6 | 0 | 0 | 0 | 109.5 | ||||
| 455 | G | 27.1 | Very low | 33.1 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | -92.1 | -157.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 456 | P | 45.3 | Very low | 33 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -143.4 | 151.2 | 13.4 | 40.3 | -20.7 | 0 | 0 | 0 | 119.3 | ||||
| 457 | Q | 29.7 | Very low | 32.6 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 63.5 | 157.8 | 142.9 | -61 | -69.1 | -15.8 | 0 | 0 | 119.4 | ||||
| 458 | M | 25.1 | Very low | 32.6 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | -147.2 | 156.4 | 16.9 | -92.4 | -157.6 | 172.7 | 0 | 0 | 114.6 | ||||
| 459 | F | 28.3 | Very low | 31.1 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | 73 | 171.5 | 147.6 | -93.9 | -98.7 | 0 | 0 | 0 | 123.6 | ||||
| 460 | M | 27.9 | Very low | 30.8 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -130.2 | -171.3 | -148.4 | -55.9 | 175.6 | 60.3 | 0 | 0 | 114.4 | ||||
| 461 | T | 27.1 | Very low | 30.5 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | trans | 86.4 | 159.1 | 162.7 | -145.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 462 | G | 28.8 | Very low | 29.3 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -174.3 | -172.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 463 | G | 24.4 | Very low | 29.1 | Very low | 64 Ų | 64 | 145 Ų | 145 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | 133 | 136.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 464 | W | 26.7 | Very low | 28.9 | Very low | 269 Ų | 269 | 145.9 Ų | 145.9 | 100% | 1.019 | 78% | 0.784 | S | S | * | * | trans | 39.1 | 132.2 | 150.5 | -51.2 | 95.6 | 0 | 0 | 0 | 122.1 | ||||
| 465 | G | 27 | Very low | 28.7 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 149.3 | 88.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 466 | T | 29.2 | Very low | 28.9 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -6.8 | 139.7 | 150.6 | 51 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 467 | T | 24.5 | Very low | 28.1 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | -178.8 | 156.7 | 128.6 | -83.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 468 | F | 27.5 | Very low | 28 | Very low | 198 Ų | 198 | 146 Ų | 146 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -75.3 | -179.4 | 179.1 | -69.4 | -60.5 | 0 | 0 | 0 | 115.3 | ||||
| 469 | Q | 29.3 | Very low | 28.2 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | cis | 170.6 | 142.1 | -27.8 | 177.5 | -96.1 | 124 | 0 | 0 | 107.8 | ||||
| 470 | I | 22.9 | Very low | 28.2 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -166.5 | 171.5 | 161.9 | -106.2 | 153.1 | 0 | 0 | 0 | 114.2 | ||||
| 471 | W | 24 | Very low | 28.5 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -129.6 | 139.9 | -158.7 | -121.8 | 62.4 | 0 | 0 | 0 | 114.1 | ||||
| 472 | Q | 28 | Very low | 28.6 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | 54 | 177.2 | 136.1 | -102.9 | -173.2 | 54.3 | 0 | 0 | 121.8 | ||||
| 473 | P | 48.6 | Very low | 28.6 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | cis | -138.3 | -177.2 | -17.8 | 38.2 | -18.6 | 0 | 0 | 0 | 117.4 | ||||
| 474 | Q | 25.2 | Very low | 29 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | 89.6 | 132.3 | 135.7 | -152.2 | 166 | 12.4 | 0 | 0 | 123.3 | ||||
| 475 | G | 26.6 | Very low | 29.3 | Very low | 66 Ų | 66 | 141.1 Ų | 141.1 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | 148.1 | 92 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 476 | Q | 30.2 | Very low | 29.4 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 54.8 | 156.2 | 141.5 | -66.4 | -178.1 | -1.9 | 0 | 0 | 120.4 | ||||
| 477 | Q | 29.4 | Very low | 29.5 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | cis | -168.1 | 172.4 | -5.2 | -105.7 | 167.6 | -9.9 | 0 | 0 | 105.8 | ||||
| 478 | D | 27.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 144 Ų | 144 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | cis | -172.6 | -174.2 | -27.6 | 178.1 | 44.7 | 0 | 0 | 0 | 108.2 | ||||
| 479 | H | 30.6 | Very low | 30.7 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 74.4 | 137.6 | 174.8 | -59.9 | 3.2 | 0 | 0 | 0 | 115.7 | ||||
| 480 | S | 28.2 | Very low | 31.1 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -175.8 | 167.9 | -16.1 | -127.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 481 | H | 34 | Very low | 31.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | cis | -161.6 | -177.9 | 0.7 | -153.2 | 68.4 | 0 | 0 | 0 | 111 | ||||
| 482 | N | 29.2 | Very low | 33 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 72.4 | 102 | 156.2 | -161.4 | 24.8 | 0 | 0 | 0 | 121.3 | ||||
| 483 | G | 29.1 | Very low | 33.9 | Very low | 61 Ų | 61 | 141.2 Ų | 141.2 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | 115.7 | 65.2 | 110.6 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 484 | S | 32 | Very low | 33.7 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 88% | 0.881 | 76% | 0.758 | S | S | * | * | trans | -179.3 | 151.9 | 132.1 | 33.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 485 | Q | 31.9 | Very low | 34.5 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -99.8 | 161 | 175.1 | -73.3 | -179.9 | -16.5 | 0 | 0 | 109.5 | ||||
| 486 | T | 29.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | cis | -161.9 | 165.8 | 0.5 | 6.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 487 | G | 31.7 | Very low | 36 | Very low | 72 Ų | 72 | 150 Ų | 150 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | 103.7 | 86 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 488 | Q | 31.7 | Very low | 36.6 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 126.1 | 155.4 | -163.3 | 169.4 | 17.7 | 0 | 0 | 107.5 | ||
| 489 | M | 44.7 | Very low | 37.2 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 141.1 | -169.8 | -76 | 177.9 | -77.1 | 0 | 0 | 113.1 | ||
| 490 | D | 38.5 | Very low | 37.8 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 134.3 | 171.3 | 167.5 | 35.1 | 0 | 0 | 0 | 110.8 | E492 | D490-E492 PolarHBondContact OD1-N 3.07Å; D490-E492 VanDerWaalsContact OD1-N 3.08Å |
| 491 | W | 39.4 | Very low | 38 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -90.7 | -15 | -176 | -77.7 | 103.4 | 0 | 0 | 0 | 114 | Q493 Y494 | W491-Q493 VanDerWaalsContact C-N 3.28Å; W491-Q493 PolarHBondContact O-N 3.38Å; W491-Y494 PolarHBondContact O-N 3.15Å; W491-Y494 VanDerWaalsContact O-N 3.16Å |
| 492 | E | 48.3 | Very low | 37.9 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -69 | -25.2 | -174.4 | -63.1 | -164.8 | 167.7 | 0 | 0 | 113.2 | D490 Y494 | D490-E492 PolarHBondContact OD1-N 3.07Å; D490-E492 VanDerWaalsContact OD1-N 3.08Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.25Å |
| 493 | Q | 45.4 | Very low | 37.9 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -70.7 | -22.7 | 174.6 | -62 | -163.6 | 19.3 | 0 | 0 | 114 | W491 | W491-Q493 VanDerWaalsContact C-N 3.28Å; W491-Q493 PolarHBondContact O-N 3.38Å |
| 494 | Y | 44 | Very low | 38.3 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 54% | 0.541 | 78% | 0.782 | S | S | . | * | H | α-helix | trans | -71.5 | -48.5 | -175.5 | -174 | -101.1 | 0 | 0 | 0 | 112 | W491 E492 K496 K497 L498 | W491-Y494 PolarHBondContact O-N 3.15Å; W491-Y494 VanDerWaalsContact O-N 3.16Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.25Å; Y494-K496 PolarHBondContact O-N 3.26Å; Y494-K497 PolarHBondContact O-N 3.08Å; Y494-K497 VanDerWaalsContact O-N 3.11Å; Y494-L498 HydrophobicContact CE1-CD1 4.36Å |
| 495 | Y | 43.1 | Very low | 38.1 | Very low | 203 Ų | 203 | 157.3 Ų | 157.3 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | H | α-helix | trans | -61.2 | -29.8 | -179.2 | -95.3 | -84.3 | 0 | 0 | 0 | 113.3 | K497 | Y495-K497 PolarHBondContact O-N 3.3Å |
| 496 | K | 43.8 | Very low | 38 | Very low | 193 Ų | 193 | 154 Ų | 154 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -6.5 | -179.7 | -142.2 | 167.6 | -171.7 | 170.8 | 0 | 114 | Y494 | Y494-K496 PolarHBondContact O-N 3.26Š|
| 497 | K | 44.7 | Very low | 37.8 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -10 | -175.9 | -159.6 | 168.8 | -178.6 | 178.5 | 0 | 115.2 | Y494 Y495 | Y494-K497 PolarHBondContact O-N 3.08Å; Y494-K497 VanDerWaalsContact O-N 3.11Å; Y495-K497 PolarHBondContact O-N 3.3Å |
| 498 | L | 40.9 | Very low | 37.7 | Very low | 129 Ų | 129 | 155.4 Ų | 155.4 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -92.3 | -12.8 | 174.2 | -99.8 | 75 | 0 | 0 | 0 | 114.2 | Y494 Q500 | Y494-L498 HydrophobicContact CE1-CD1 4.36Å; L498-Q500 VanDerWaalsContact C-N 3.31Å; L498-Q500 PolarHBondContact O-N 3.44Å |
| 499 | G | 40.4 | Very low | 37.9 | Very low | 75 Ų | 75 | 152.1 Ų | 152.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -83.2 | 15.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 500 | Q | 42.5 | Very low | 37 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -149.9 | 152.4 | -175.2 | -158.4 | 165.6 | 102.8 | 0 | 0 | 112.2 | L498 | L498-Q500 VanDerWaalsContact C-N 3.31Å; L498-Q500 PolarHBondContact O-N 3.44Å | ||
| 501 | Q | 32.5 | Very low | 36.4 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 76.2 | 75.2 | 173.8 | -159.3 | 176.6 | 22.6 | 0 | 0 | 117.7 | ||||
| 502 | N | 32.1 | Very low | 35.9 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | -161.8 | 121.7 | 121.1 | -117.2 | -63 | 0 | 0 | 0 | 114.1 | |||||
| 503 | Q | 30.5 | Very low | 35.2 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -134.1 | 147.5 | 149.2 | -109.4 | -168.9 | 0.7 | 0 | 0 | 106.8 | ||||
| 504 | P | 36.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -81.6 | 143.3 | -165.1 | 32.3 | -35.3 | 0 | 0 | 0 | 112.7 | ||||
| 505 | Q | 28.2 | Very low | 33.5 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -138.8 | 140.7 | 165.8 | -167.9 | 166.1 | -3.2 | 0 | 0 | 111.2 | ||||
| 506 | S | 28.3 | Very low | 32.7 | Very low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 135.4 | -167.2 | -33.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 507 | T | 27.3 | Very low | 31.9 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -153 | 143.4 | 152.1 | 29.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 508 | A | 28.5 | Very low | 31.1 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -87.6 | 168.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 509 | P | 37 | Very low | 30.4 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | -132 | 155.5 | 123.3 | 37 | -30 | 0 | 0 | 0 | 113.9 | |||||
| 510 | E | 25.1 | Very low | 29.8 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -97.7 | 142.7 | 178.4 | -175.4 | -176.2 | 128.2 | 0 | 0 | 111 | ||||
| 511 | Y | 25.3 | Very low | 29.6 | Very low | 216 Ų | 216 | 146.1 Ų | 146.1 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -143.9 | 146.6 | 164.5 | 170.3 | -112.6 | 0 | 0 | 0 | 109.6 | K513 | Y511-K513 PolarHBondContact OH-O 3.16Š| ||
| 512 | N | 29.2 | Very low | 29.2 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 56% | 0.556 | 80% | 0.798 | S | S | * | * | trans | -146.9 | 164.2 | -162.2 | -167.8 | -14.2 | 0 | 0 | 0 | 110.1 | ||||
| 513 | K | 34 | Very low | 29.1 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | 72.4 | 138 | 170.1 | -77.8 | 172.3 | -177.8 | 174 | 0 | 116.1 | Y511 | Y511-K513 PolarHBondContact OH-O 3.16Š| ||
| 514 | T | 26.3 | Very low | 28.9 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 63% | 0.626 | 80% | 0.802 | S | S | * | * | cis | -159.3 | 170.9 | 3.2 | -20.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 515 | W | 26.6 | Very low | 28.5 | Very low | 246 Ų | 246 | 143.3 Ų | 143.3 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | 75.5 | 145.2 | 166.4 | -49.8 | 112.5 | 0 | 0 | 0 | 116.8 | ||||
| 516 | G | 27.6 | Very low | 28.5 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | -159.8 | 177.4 | 1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 517 | Q | 27 | Very low | 28.5 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 148.4 | -171.6 | -62.2 | 171.4 | -14.3 | 0 | 0 | 114 | ||||
| 518 | T | 26.1 | Very low | 28.6 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -158.1 | 136.9 | 136.6 | -4.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 519 | T | 27.4 | Very low | 29 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -22.8 | 144.6 | 169 | 50.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 520 | A | 27.6 | Very low | 28.9 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -80.1 | 178.1 | 155 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 521 | P | 37.2 | Very low | 29.4 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | cis | -125.7 | -176.7 | 46.6 | 37.2 | -20.1 | 0 | 0 | 0 | 113.4 | ||||
| 522 | G | 25.7 | Very low | 29.8 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | 137 | 122.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 523 | S | 29.1 | Very low | 30.3 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -156.7 | 153.4 | 170.8 | 53.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 524 | Q | 27.6 | Very low | 30.3 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -103.4 | 155 | -166.7 | -57.5 | 152.1 | -47.7 | 0 | 0 | 112.7 | ||||
| 525 | Q | 28.1 | Very low | 30.8 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | -164.6 | 160.3 | 123.2 | -109.2 | 169.6 | 17 | 0 | 0 | 113.9 | |||||
| 526 | T | 27.7 | Very low | 31.3 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -94.3 | 145.7 | -166.4 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 527 | S | 28.6 | Very low | 31.7 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -147.8 | 145.9 | 155.4 | 56 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 528 | N | 29.8 | Very low | 32.2 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -83.9 | 157 | -171.4 | -124.5 | 16 | 0 | 0 | 0 | 113.1 | ||||
| 529 | P | 36.8 | Very low | 32.6 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | trans | -100.6 | 98 | -170.3 | 36.4 | -31.1 | 0 | 0 | 0 | 113.9 | ||||
| 530 | E | 33.7 | Very low | 32.9 | Very low | 192 Ų | 192 | 156.8 Ų | 156.8 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -153.3 | 44.2 | 169.3 | -139.7 | 174.4 | 167.7 | 0 | 0 | 116 | ||||
| 531 | Y | 37.1 | Very low | 33.5 | Very low | 226 Ų | 226 | 157.9 Ų | 157.9 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | trans | -155.9 | 75.3 | 169.3 | -145.3 | -91.1 | 0 | 0 | 0 | 114.8 | ||||
| 532 | N | 33.7 | Very low | 33.4 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | trans | -163.1 | 41.9 | 167.4 | -106.8 | -31 | 0 | 0 | 0 | 114.9 | W534 | N532-W534 PolarHBondContact O-N 3.11Š| ||
| 533 | A | 37.9 | Very low | 33.6 | Very low | 93 Ų | 93 | 161.5 Ų | 161.5 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 14.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 534 | W | 33.9 | Very low | 33.8 | Very low | 241 Ų | 241 | 165.4 Ų | 165.4 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 4.9 | -167.9 | -72.6 | 96.2 | 0 | 0 | 0 | 116 | N532 | N532-W534 PolarHBondContact O-N 3.11Š|
| 535 | V | 38.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 166.4 Ų | 166.4 | 64% | 0.642 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -99.4 | -23.7 | -172.4 | -177.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 536 | D | 35.4 | Very low | 33.9 | Very low | 142 Ų | 142 | 164.1 Ų | 164.1 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | G | 310 helix | trans | -84 | -11.6 | -172.4 | -83.8 | -64.5 | 0 | 0 | 0 | 116.2 | Y538 | D536-Y538 VanDerWaalsContact C-N 3.29Å; D536-Y538 PolarHBondContact O-N 3.2Å |
| 537 | F | 37.8 | Very low | 34 | Very low | 194 Ų | 194 | 166.8 Ų | 166.8 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -78.8 | -3.9 | -173.5 | -156.9 | -101.9 | 0 | 0 | 0 | 115.2 | ||
| 538 | Y | 35.7 | Very low | 34.1 | Very low | 228 Ų | 228 | 165 Ų | 165 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | G | 310 helix | trans | -124.2 | 25.6 | -177.9 | -103.5 | -81.2 | 0 | 0 | 0 | 114.5 | D536 | D536-Y538 VanDerWaalsContact C-N 3.29Å; D536-Y538 PolarHBondContact O-N 3.2Å |
| 539 | R | 35.7 | Very low | 34.2 | Very low | 211 Ų | 211 | 162.4 Ų | 162.4 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | -148 | 68.8 | -179.3 | -157.7 | -179.3 | -172.8 | -128.1 | 1.4 | 116.2 | ||||
| 540 | Q | 33.2 | Very low | 33.9 | Very low | 194 Ų | 194 | 165.9 Ų | 165.9 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | trans | -164.9 | 162.1 | 141.3 | -107.8 | 155.5 | 108.4 | 0 | 0 | 112.4 | ||||
| 541 | P | 41.2 | Very low | 33.9 | Very low | 114 Ų | 114 | 166 Ų | 166 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | trans | -112.9 | 177 | -150.7 | 41.6 | -35.8 | 0 | 0 | 0 | 116.2 | A543 | P541-A543 PolarHBondContact O-N 3.49Š| ||
| 542 | M | 35.1 | Very low | 33.7 | Very low | 194 Ų | 194 | 161.6 Ų | 161.6 | 96% | 0.956 | 83% | 0.83 | S | S | * | * | trans | -64.6 | 115.7 | 168.7 | -62.5 | 175.4 | -179 | 0 | 0 | 112 | ||||
| 543 | A | 29.9 | Very low | 33.8 | Very low | 84 Ų | 84 | 161 Ų | 161 | 69% | 0.694 | 83% | 0.834 | S | S | * | * | trans | -165.6 | 89.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P541 | P541-A543 PolarHBondContact O-N 3.49Š| ||
| 544 | F | 31.6 | Very low | 33.6 | Very low | 210 Ų | 210 | 161 Ų | 161 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -178.9 | 71.2 | 152.8 | -101.4 | -60.6 | 0 | 0 | 0 | 112.6 | ||||
| 545 | F | 30.4 | Very low | 34.2 | Very low | 208 Ų | 208 | 155.9 Ų | 155.9 | 91% | 0.912 | 83% | 0.832 | S | S | * | * | trans | -168.1 | 103.6 | 142.6 | -131.3 | -92.8 | 0 | 0 | 0 | 111.2 | ||||
| 546 | N | 28.2 | Very low | 34 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | trans | -160.5 | 98.5 | 160.2 | -176.3 | 9.4 | 0 | 0 | 0 | 110.8 | ||||
| 547 | Q | 30.7 | Very low | 34.3 | Very low | 189 Ų | 189 | 155.4 Ų | 155.4 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -163.1 | 130.6 | 150.2 | -122.1 | 170.8 | 75.8 | 0 | 0 | 111.3 | ||||
| 548 | G | 28.7 | Very low | 34.4 | Very low | 77 Ų | 77 | 154.2 Ų | 154.2 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | trans | 89.6 | 91.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 549 | A | 32.8 | Very low | 34.5 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | -171.4 | 142.1 | 122.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 550 | Q | 31.6 | Very low | 34.8 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -61.6 | 144 | -172.4 | -65.3 | 141.7 | -13.4 | 0 | 0 | 114.3 | ||||
| 551 | Q | 31.8 | Very low | 34.8 | Very low | 193 Ų | 193 | 150 Ų | 150 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -87.9 | 129.6 | 160.2 | -69.9 | 179.9 | -7.2 | 0 | 0 | 110 | ||||
| 552 | T | 33.4 | Very low | 34.5 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 82% | 0.822 | 85% | 0.854 | S | S | * | * | trans | -105.6 | 120.4 | 167.1 | 38.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 553 | P | 35.6 | Very low | 34.5 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 81% | 0.812 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 127 | 172.3 | 30.9 | -31.4 | 0 | 0 | 0 | 110.8 | ||
| 554 | A | 34.1 | Very low | 34.8 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 152.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 555 | P | 45.9 | Very low | 34.9 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 86% | 0.864 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 160.8 | -173.2 | 33.4 | -37 | 0 | 0 | 0 | 113.2 | ||
| 556 | G | 34.8 | Very low | 35.3 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 85% | 0.849 | S | S | * | * | trans | -107.4 | 165.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 557 | L | 41.5 | Very low | 35.8 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | trans | -150.3 | 117.8 | 164.4 | -87.6 | 144.6 | 0 | 0 | 0 | 103.2 | ||||
| 558 | Q | 40.3 | Very low | 36.1 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 85% | 0.85 | S | S | * | * | cis | 81 | 123.8 | 49.4 | -160 | 166.7 | 39.5 | 0 | 0 | 112.7 | ||||
| 559 | D | 37.1 | Very low | 36.8 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 72% | 0.722 | 85% | 0.854 | S | S | * | * | trans | 17.9 | 120 | 175.7 | -64.4 | -120.8 | 0 | 0 | 0 | 120.5 | ||||
| 560 | H | 42.3 | Very low | 37.1 | Very low | 259 Ų | 259 | 151.7 Ų | 151.7 | 100% | 1.199 | 85% | 0.854 | S | S | * | * | -157.4 | 0 | 103.6 | -114.6 | -57.9 | 0 | 0 | 0 | 114.4 |
Retrieved 560 of 560 residues in 114.8 ms
(Link to these results)