| 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 | 54 | Low | 56.1 | Low | 247 Ų | 247 | 151.4 Ų | 151.4 | 100% | 1.217 | 85% | 0.851 | S | S | * | * | 0 | 107.3 | 0 | -68.9 | 169.4 | 91.8 | 0 | 0 | 106.8 | |||||
| 2 | S | 59.5 | Low | 56 | Low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 85% | 0.848 | S | S | * | * | trans | -68.4 | 145.1 | 174.4 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | Q | 54.9 | Low | 55.6 | Low | 178 Ų | 178 | 145.5 Ų | 145.5 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -163.7 | 99.7 | 148.7 | -109.3 | 165.8 | 17 | 0 | 0 | 110.9 | ||||
| 4 | D | 58.9 | Low | 55.2 | Low | 139 Ų | 139 | 146.7 Ų | 146.7 | 74% | 0.743 | 84% | 0.84 | S | S | * | * | 60.7 | 109.9 | 127.8 | -52.9 | -35.9 | 0 | 0 | 0 | 121.5 | |||||
| 5 | K | 56.7 | Low | 55.2 | Low | 184 Ų | 184 | 143.3 Ų | 143.3 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -55.4 | 140.4 | 146.6 | -73.3 | 172.1 | 173.9 | 176.1 | 0 | 110.9 | ||||
| 6 | P | 72.2 | Confident | 55 | Low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | trans | -108.6 | 110.4 | 140.8 | 30.6 | -23.6 | 0 | 0 | 0 | 109.8 | ||||
| 7 | N | 55.8 | Low | 54.7 | Low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | trans | -67.2 | 129.3 | 155.4 | -70.6 | -27.2 | 0 | 0 | 0 | 107.3 | ||||
| 8 | N | 60 | Low | 54.7 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | -129.8 | 106.8 | 156.9 | -153.9 | 0.1 | 0 | 0 | 0 | 109.4 | ||||
| 9 | A | 49.6 | Very low | 54.5 | Low | 96 Ų | 96 | 143.6 Ų | 143.6 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | trans | -77 | 130.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | G | 51.1 | Low | 54.3 | Low | 78 Ų | 78 | 146.7 Ų | 146.7 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -146.8 | 71.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 11 | Q | 43.8 | Very low | 54.4 | Low | 197 Ų | 197 | 149.1 Ų | 149.1 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -62 | 136.7 | 160.9 | -81.4 | 170.1 | -30.6 | 0 | 0 | 109.2 | ||||
| 12 | S | 54.9 | Low | 54 | Low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -152 | 144.1 | 140.4 | -135.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | P | 51.8 | Low | 53.5 | Low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | trans | -101.4 | 159 | -152.6 | 38.1 | -32.2 | 0 | 0 | 0 | 114.3 | ||||
| 14 | N | 49.7 | Very low | 53.6 | Low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | 17.8 | 117.4 | 146.3 | -65.2 | -28.3 | 0 | 0 | 0 | 118.6 | ||||
| 15 | A | 55 | Low | 53.6 | Low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -135.9 | 112.5 | 144 | 0 | 0 | 0 | 0 | 0 | 108.7 | G17 | A15-G17 PolarHBondContact O-N 3.18Š| ||
| 16 | P | 51.4 | Low | 53.8 | Low | 132 Ų | 132 | 136.3 Ų | 136.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -82.7 | 106 | 174.5 | 30.7 | -27.3 | 0 | 0 | 0 | 109.1 | ||||
| 17 | G | 51 | Low | 53.3 | Low | 82 Ų | 82 | 138 Ų | 138 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -98.5 | 91.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | A15 | A15-G17 PolarHBondContact O-N 3.18Š| ||
| 18 | D | 54.1 | Low | 53.8 | Low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -65.1 | 157.2 | 173.8 | -144.4 | -14.1 | 0 | 0 | 0 | 112.1 | ||||
| 19 | R | 50.2 | Low | 54 | Low | 219 Ų | 219 | 137.7 Ų | 137.7 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 81.7 | 109.2 | 165.9 | -54.4 | 173.9 | 177.2 | -172.6 | -3.1 | 119 | ||||
| 20 | K | 52.3 | Low | 54.4 | Low | 205 Ų | 205 | 140.4 Ų | 140.4 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | -170.6 | 114.7 | 95.3 | -102.2 | -169 | 178.3 | -174.1 | 0 | 110.7 | |||||
| 21 | E | 55.9 | Low | 54.5 | Low | 199 Ų | 199 | 139.6 Ų | 139.6 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -64.5 | 146.3 | 155.6 | -59.6 | 177.8 | 160.8 | 0 | 0 | 109.6 | ||||
| 22 | G | 45.8 | Very low | 54.9 | Low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | 154.6 | 84.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 23 | S | 47.7 | Very low | 55 | Low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 66.1 | 98.1 | 89 | 78.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 24 | S | 57.5 | Low | 54.9 | Low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -168.9 | 103.8 | 135.5 | 6.2 | 0 | 0 | 0 | 0 | 107.2 | D26 | S24-D26 PolarHBondContact O-N 3.18Š| ||
| 25 | E | 59.1 | Low | 55 | Low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -52.3 | 108.7 | 147 | -81.1 | 120.7 | 124.6 | 0 | 0 | 108.5 | ||||
| 26 | D | 61.9 | Low | 55.1 | Low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -119.9 | 109.8 | 157.6 | -81.3 | -55.9 | 0 | 0 | 0 | 107.6 | S24 D28 | S24-D26 PolarHBondContact O-N 3.18Å; D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.32Å | ||
| 27 | D | 60.9 | Low | 55 | Low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 84.8 | 169 | -76.4 | -60.5 | 0 | 0 | 0 | 110.7 | D29 | D27-D29 VanDerWaalsContact C-N 3.29Å; D27-D29 PolarHBondContact O-N 3.17Å; D27-D29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | D | 66.3 | Low | 55.2 | Low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -81.4 | 89.3 | 160.2 | -79.9 | -38.2 | 0 | 0 | 0 | 108.3 | D26 D30 | D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.32Å; D28-D30 PolarHBondContact O-N 3.08Å | ||
| 29 | D | 63.2 | Low | 55.6 | Low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -45.5 | 87.2 | 163.2 | -161.1 | -5.5 | 0 | 0 | 0 | 109.1 | D27 G31 | D27-D29 VanDerWaalsContact C-N 3.29Å; D27-D29 PolarHBondContact O-N 3.17Å; D27-D29 VanDerWaalsContact O-N 3.11Å; D29-G31 PolarHBondContact O-N 3.26Å | ||
| 30 | D | 59.7 | Low | 56 | Low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -64.8 | 77.8 | 168.9 | -89.4 | -30.1 | 0 | 0 | 0 | 107.3 | D28 S32 | D28-D30 PolarHBondContact O-N 3.08Å; D30-S32 PolarHBondContact O-N 2.91Å | ||
| 31 | G | 51.3 | Low | 56 | Low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | trans | -57.4 | 82.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | D29 S33 | D29-G31 PolarHBondContact O-N 3.26Å; G31-S33 VanDerWaalsContact C-N 3.34Å; G31-S33 PolarHBondContact O-N 2.88Å | ||
| 32 | S | 53.5 | Low | 56.1 | Low | 90 Ų | 90 | 121.1 Ų | 121.1 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | trans | -46.1 | 99.5 | 172 | 167.7 | 0 | 0 | 0 | 0 | 107.6 | D30 E34 | D30-S32 PolarHBondContact O-N 2.91Å; S32-E34 PolarHBondContact O-N 3.05Å | ||
| 33 | S | 55.7 | Low | 56.7 | Low | 90 Ų | 90 | 121.8 Ų | 121.8 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | trans | -70.7 | 82.9 | 174.5 | 42.7 | 0 | 0 | 0 | 0 | 107.7 | G31 E35 | G31-S33 VanDerWaalsContact C-N 3.34Å; G31-S33 PolarHBondContact O-N 2.88Å; S33-E35 PolarHBondContact O-N 3.04Å | ||
| 34 | E | 51.2 | Low | 57.1 | Low | 167 Ų | 167 | 119.1 Ų | 119.1 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 9 | 172.6 | -56 | -167.2 | 143.5 | 0 | 0 | 112.7 | S32 | S32-E34 PolarHBondContact O-N 3.05Š|
| 35 | E | 52.2 | Low | 57.2 | Low | 160 Ų | 160 | 117 Ų | 117 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -23.5 | -171.5 | -47.4 | -83.1 | 140.3 | 0 | 0 | 113 | S33 | S33-E35 PolarHBondContact O-N 3.04Š|
| 36 | D | 55.4 | Low | 57.1 | Low | 139 Ų | 139 | 112.5 Ų | 112.5 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -106.3 | -3.3 | -167.9 | -80.8 | -29.5 | 0 | 0 | 0 | 116.1 | L38 | D36-L38 PolarHBondContact O-N 3.12Š|
| 37 | N | 49.9 | Very low | 57.1 | Low | 163 Ų | 163 | 110 Ų | 110 | 87% | 0.872 | 61% | 0.613 | S | S | * | * | trans | -87 | 55.7 | 172.2 | -119.3 | -27.2 | 0 | 0 | 0 | 111.1 | D39 | N37-D39 PolarHBondContact O-N 3.03Š| ||
| 38 | L | 55 | Low | 56.9 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | trans | -62.6 | 103.9 | 166.7 | -73.9 | 171.9 | 0 | 0 | 0 | 108 | D36 L40 Q43 | D36-L38 PolarHBondContact O-N 3.12Å; L38-L40 PolarHBondContact O-N 3.01Å; L38-Q43 HydrophobicContact CB-CG 4.05Å; L38-Q43 PolarHBondContact O-NE2 3.28Å | ||
| 39 | D | 62.9 | Low | 56.6 | Low | 102 Ų | 102 | 102 Ų | 102 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | trans | -37.3 | 134.5 | 172.3 | -175.7 | 23.5 | 0 | 0 | 0 | 110.3 | N37 D41 S42 Q43 | N37-D39 PolarHBondContact O-N 3.03Å; D39-D41 PolarHBondContact O-N 3.19Å; D39-S42 PolarHBondContact N-OG 3.44Å; D39-S42 WeakPolarHBondContact O-CA 3.46Å; D39-S42 WeakPolarHBondContact O-CB 3.36Å; D39-S42 PolarHBondContact O-N 3.14Å; D39-S42 PolarHBondContact O-OG 3.43Å; D39-Q43 PolarHBondContact O-N 2.98Å; D39-Q43 VanDerWaalsContact O-N 3.12Å | ||
| 40 | L | 57.9 | Low | 56.2 | Low | 146 Ų | 146 | 98 Ų | 98 | 76% | 0.764 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -51.4 | -32.3 | -176.9 | -85.8 | 125.6 | 0 | 0 | 0 | 111.9 | L38 Q43 A44 | L38-L40 PolarHBondContact O-N 3.01Å; L40-Q43 PolarHBondContact O-N 2.95Å; L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.97Å |
| 41 | D | 53.4 | Low | 56.1 | Low | 95 Ų | 95 | 92.5 Ų | 92.5 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 176.2 | -123.3 | 27 | 0 | 0 | 0 | 112.6 | D39 T45 | D39-D41 PolarHBondContact O-N 3.19Å; D41-T45 WeakPolarHBondContact O-CB 3.46Å; D41-T45 PolarHBondContact O-N 3.05Å; D41-T45 PolarHBondContact O-OG1 2.83Å |
| 42 | S | 58.2 | Low | 56.3 | Low | 27 Ų | 27 | 95.1 Ų | 95.1 | 19% | 0.189 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -72.6 | -37.3 | 174.7 | 76.2 | 0 | 0 | 0 | 0 | 111.9 | D39 T45 L46 | D39-S42 PolarHBondContact N-OG 3.44Å; D39-S42 WeakPolarHBondContact O-CA 3.46Å; D39-S42 WeakPolarHBondContact O-CB 3.36Å; D39-S42 PolarHBondContact O-N 3.14Å; D39-S42 PolarHBondContact O-OG 3.43Å; S42-T45 PolarHBondContact O-N 3.03Å; S42-L46 WeakPolarHBondContact O-CB 3.37Å; S42-L46 PolarHBondContact O-N 3.08Å |
| 43 | Q | 58.1 | Low | 56.4 | Low | 79 Ų | 79 | 92.2 Ų | 92.2 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 172.2 | -66 | -172.4 | 15.9 | 0 | 0 | 111.1 | L38 D39 L40 L46 L47 | L38-Q43 HydrophobicContact CB-CG 4.05Å; L38-Q43 PolarHBondContact O-NE2 3.28Å; D39-Q43 PolarHBondContact O-N 2.98Å; D39-Q43 VanDerWaalsContact O-N 3.12Å; L40-Q43 PolarHBondContact O-N 2.95Å; Q43-L46 PolarHBondContact O-N 3.17Å; Q43-L47 WeakPolarHBondContact O-CB 3.42Å; Q43-L47 PolarHBondContact O-N 3.19Å |
| 44 | A | 56.1 | Low | 56.4 | Low | 53 Ų | 53 | 89.1 Ų | 89.1 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L40 L47 L48 | L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.97Å; A44-L47 WeakPolarHBondContact O-CB 3.3Å; A44-L47 PolarHBondContact O-N 3.41Å; A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 PolarHBondContact O-N 3Å |
| 45 | T | 58.5 | Low | 56.6 | Low | 59 Ų | 59 | 85.3 Ų | 85.3 | 36% | 0.362 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | D41 S42 L47 L48 V49 | D41-T45 WeakPolarHBondContact O-CB 3.46Å; D41-T45 PolarHBondContact O-N 3.05Å; D41-T45 PolarHBondContact O-OG1 2.83Å; S42-T45 PolarHBondContact O-N 3.03Å; T45-L47 VanDerWaalsContact C-N 3.28Å; T45-L47 PolarHBondContact O-N 3.43Å; T45-L48 PolarHBondContact O-N 2.77Å; T45-V49 HydrophobicContact CG2-CG2 4.47Å; T45-V49 WeakPolarHBondContact O-CB 3.35Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.37Å; T45-V49 PolarHBondContact O-N 3.22Å |
| 46 | L | 58.7 | Low | 56.7 | Low | 85 Ų | 85 | 81.2 Ų | 81.2 | 45% | 0.445 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 175 | -175.1 | 64.4 | 0 | 0 | 0 | 111 | S42 Q43 V49 H50 | S42-L46 WeakPolarHBondContact O-CB 3.37Å; S42-L46 PolarHBondContact O-N 3.08Å; Q43-L46 PolarHBondContact O-N 3.17Å; L46-V49 PolarHBondContact O-N 3.4Å; L46-H50 WeakPolarHBondContact O-CB 3.27Å; L46-H50 PolarHBondContact O-CD2 3.44Å; L46-H50 PolarHBondContact O-N 2.89Å |
| 47 | L | 60.4 | Low | 56.6 | Low | 82 Ų | 82 | 77.3 Ų | 77.3 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.4 | -162.3 | 77.7 | 0 | 0 | 0 | 111.5 | Q43 A44 T45 H50 T51 I151 | Q43-L47 WeakPolarHBondContact O-CB 3.42Å; Q43-L47 PolarHBondContact O-N 3.19Å; A44-L47 WeakPolarHBondContact O-CB 3.3Å; A44-L47 PolarHBondContact O-N 3.41Å; T45-L47 VanDerWaalsContact C-N 3.28Å; T45-L47 PolarHBondContact O-N 3.43Å; L47-H50 WeakPolarHBondContact O-CB 3.33Å; L47-H50 PolarHBondContact O-N 2.99Å; L47-T51 PolarHBondContact O-N 2.94Å; L47-T51 PolarHBondContact O-OG1 3.32Å; L47-I151 HydrophobicContact CD1-CD1 4.15Å; L47-I151 HydrophobicContact CD1-CG2 4.38Å |
| 48 | L | 58 | Low | 56.7 | Low | 105 Ų | 105 | 71.2 Ų | 71.2 | 55% | 0.55 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 178.1 | -171.6 | 65.1 | 0 | 0 | 0 | 111.2 | A44 T45 H50 T51 E52 | A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 PolarHBondContact O-N 3Å; T45-L48 PolarHBondContact O-N 2.77Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 3.4Å; L48-T51 WeakPolarHBondContact CA-OG1 3.38Å; L48-T51 PolarHBondContact O-N 2.92Å; L48-T51 PolarHBondContact O-OG1 3.46Å; L48-E52 PolarHBondContact O-N 2.99Å |
| 49 | V | 58.9 | Low | 56.7 | Low | 34 Ų | 34 | 73.6 Ų | 73.6 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | T45 L46 T51 E52 V53 A81 | T45-V49 HydrophobicContact CG2-CG2 4.47Å; T45-V49 WeakPolarHBondContact O-CB 3.35Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.37Å; T45-V49 PolarHBondContact O-N 3.22Å; L46-V49 PolarHBondContact O-N 3.4Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 3.43Å; V49-E52 PolarHBondContact O-N 2.86Å; V49-V53 HydrophobicContact CG1-CG2 4.13Å; V49-V53 WeakPolarHBondContact O-CB 3.37Å; V49-V53 WeakPolarHBondContact O-CG2 3.45Å; V49-V53 PolarHBondContact O-N 3.45Å; V49-A81 HydrophobicContact CG1-CB 3.62Å |
| 50 | H | 54.9 | Low | 56.2 | Low | 72 Ų | 72 | 70 Ų | 70 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 174.1 | -100.5 | -98 | 0 | 0 | 0 | 112 | L46 L47 L48 F54 W147 | L46-H50 WeakPolarHBondContact O-CB 3.27Å; L46-H50 PolarHBondContact O-CD2 3.44Å; L46-H50 PolarHBondContact O-N 2.89Å; L47-H50 WeakPolarHBondContact O-CB 3.33Å; L47-H50 PolarHBondContact O-N 2.99Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 3.4Å; H50-F54 WeakPolarHBondContact O-CB 3.47Å; H50-F54 PolarHBondContact O-N 2.78Å; H50-W147 HydrophobicContact CB-CH2 4.24Å; H50-W147 HydrophobicContact CB-CZ2 4.49Å |
| 51 | T | 58.1 | Low | 55.9 | Low | 36 Ų | 36 | 66.6 Ų | 66.6 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | L47 L48 V49 F54 D55 W147 | L47-T51 PolarHBondContact O-N 2.94Å; L47-T51 PolarHBondContact O-OG1 3.32Å; L48-T51 WeakPolarHBondContact CA-OG1 3.38Å; L48-T51 PolarHBondContact O-N 2.92Å; L48-T51 PolarHBondContact O-OG1 3.46Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 3.43Å; T51-F54 WeakPolarHBondContact O-CB 3.5Å; T51-F54 PolarHBondContact O-N 2.76Å; T51-D55 PolarHBondContact O-N 2.98Å; T51-W147 HydrophobicContact CG2-CZ3 4.33Å |
| 52 | E | 55.1 | Low | 56 | Low | 118 Ų | 118 | 66.2 Ų | 66.2 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.2 | -39.3 | 175.3 | -72.7 | -178.8 | 179.3 | 0 | 0 | 111.6 | L48 V49 F54 D55 V56 | L48-E52 PolarHBondContact O-N 2.99Å; V49-E52 PolarHBondContact O-N 2.86Å; E52-F54 VanDerWaalsContact C-N 3.26Å; E52-F54 PolarHBondContact O-N 2.9Å; E52-D55 PolarHBondContact O-N 2.66Å; E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 3.41Å; E52-V56 VanDerWaalsContact O-N 3.11Å |
| 53 | V | 56.7 | Low | 55.9 | Low | 28 Ų | 28 | 70.4 Ų | 70.4 | 17% | 0.17 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 172.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | V49 V56 E57 | V49-V53 HydrophobicContact CG1-CG2 4.13Å; V49-V53 WeakPolarHBondContact O-CB 3.37Å; V49-V53 WeakPolarHBondContact O-CG2 3.45Å; V49-V53 PolarHBondContact O-N 3.45Å; V53-V56 PolarHBondContact O-N 3.44Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.37Å |
| 54 | F | 55.2 | Low | 55.6 | Low | 25 Ų | 25 | 68.6 Ų | 68.6 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69 | -37.6 | 177 | -167.8 | -96.7 | 0 | 0 | 0 | 113.1 | H50 T51 E52 E57 H58 R144 | H50-F54 WeakPolarHBondContact O-CB 3.47Å; H50-F54 PolarHBondContact O-N 2.78Å; T51-F54 WeakPolarHBondContact O-CB 3.5Å; T51-F54 PolarHBondContact O-N 2.76Å; E52-F54 VanDerWaalsContact C-N 3.26Å; E52-F54 PolarHBondContact O-N 2.9Å; F54-E57 WeakPolarHBondContact CD2-OE2 3.41Å; F54-E57 WeakPolarHBondContact O-CB 3.48Å; F54-E57 PolarHBondContact O-N 2.96Å; F54-H58 AromaticContact CD1-CD2 3.66Å; F54-H58 AromaticContact CE1-CD2 3.24Å; F54-H58 WeakPolarHBondContact CE1-CD2 3.36Å; F54-H58 AromaticContact CE1-NE2 3.29Å; F54-H58 VanDerWaalsContact CE1-NE2 3.29Å; F54-H58 WeakPolarHBondContact CE1-NE2 3.47Å; F54-H58 AromaticContact CE2-NE2 3.49Å; F54-H58 WeakPolarHBondContact CE2-NE2 3.47Å; F54-H58 AromaticContact CZ-CD2 3.45Å; F54-H58 VanDerWaalsContact CZ-CD2 3.45Å; F54-H58 WeakPolarHBondContact CZ-CD2 3.23Å; F54-H58 AromaticContact CZ-NE2 2.95Å; F54-H58 WeakPolarHBondContact CZ-NE2 3.4Å; F54-H58 PolarHBondContact O-CD2 2.83Å; F54-H58 PolarHBondContact O-N 3.24Å; F54-R144 HydrophobicContact CE1-CB 4.06Å; F54-R144 HydrophobicContact CE1-CG 4.26Å; F54-R144 HydrophobicContact CZ-CB 4.45Å |
| 55 | D | 54.5 | Low | 56 | Low | 87 Ų | 87 | 78.1 Ų | 78.1 | 47% | 0.465 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69 | -38.6 | 175.8 | -73.8 | -22.1 | 0 | 0 | 0 | 111 | T51 E52 Q59 R144 | T51-D55 PolarHBondContact O-N 2.98Å; E52-D55 PolarHBondContact O-N 2.66Å; D55-Q59 PolarHBondContact O-N 2.68Å; D55-R144 IonicContact OD1-NH1 3.9Å |
| 56 | V | 55 | Low | 56.7 | Low | 74 Ų | 74 | 79 Ų | 79 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | 171.1 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | E52 V53 H58 Q59 A60 L77 | E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 3.41Å; E52-V56 VanDerWaalsContact O-N 3.11Å; V53-V56 PolarHBondContact O-N 3.44Å; V56-H58 PolarHBondContact O-N 3.12Å; V56-Q59 PolarHBondContact O-N 2.79Å; V56-A60 VanDerWaalsContact O-CB 3.31Å; V56-A60 WeakPolarHBondContact O-CB 3.27Å; V56-A60 PolarHBondContact O-N 3.49Å; V56-L77 HydrophobicContact CG1-CD1 4.11Å |
| 57 | E | 53.8 | Low | 57.4 | Low | 58 Ų | 58 | 79.5 Ų | 79.5 | 27% | 0.271 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57 | -46.4 | 177.2 | 171.8 | -179 | -169.2 | 0 | 0 | 111 | V53 F54 L61 | V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.37Å; F54-E57 WeakPolarHBondContact CD2-OE2 3.41Å; F54-E57 WeakPolarHBondContact O-CB 3.48Å; F54-E57 PolarHBondContact O-N 2.96Å; E57-L61 HydrophobicContact CG-CD1 3.63Å; E57-L61 HydrophobicContact CG-CG 4.33Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.01Å |
| 58 | H | 50.8 | Low | 58.3 | Low | 35 Ų | 35 | 81.5 Ų | 81.5 | 16% | 0.162 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -76.1 | -33.3 | -178.7 | -81.1 | -59.9 | 0 | 0 | 0 | 113.8 | F54 V56 A60 A62 I140 | F54-H58 AromaticContact CD1-CD2 3.66Å; F54-H58 AromaticContact CE1-CD2 3.24Å; F54-H58 WeakPolarHBondContact CE1-CD2 3.36Å; F54-H58 AromaticContact CE1-NE2 3.29Å; F54-H58 VanDerWaalsContact CE1-NE2 3.29Å; F54-H58 WeakPolarHBondContact CE1-NE2 3.47Å; F54-H58 AromaticContact CE2-NE2 3.49Å; F54-H58 WeakPolarHBondContact CE2-NE2 3.47Å; F54-H58 AromaticContact CZ-CD2 3.45Å; F54-H58 VanDerWaalsContact CZ-CD2 3.45Å; F54-H58 WeakPolarHBondContact CZ-CD2 3.23Å; F54-H58 AromaticContact CZ-NE2 2.95Å; F54-H58 WeakPolarHBondContact CZ-NE2 3.4Å; F54-H58 PolarHBondContact O-CD2 2.83Å; F54-H58 PolarHBondContact O-N 3.24Å; V56-H58 PolarHBondContact O-N 3.12Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A62 WeakPolarHBondContact O-CB 3.43Å; H58-A62 PolarHBondContact O-N 3.13Å; H58-I140 HydrophobicContact CB-CD1 4.42Å |
| 59 | Q | 56.2 | Low | 59.1 | Low | 146 Ų | 146 | 81.6 Ų | 81.6 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.8 | -39 | 174.1 | -160.6 | 169 | 26.7 | 0 | 0 | 111.3 | D55 V56 T63 | D55-Q59 PolarHBondContact O-N 2.68Å; V56-Q59 PolarHBondContact O-N 2.79Å; Q59-T63 WeakPolarHBondContact O-CG2 3.47Å; Q59-T63 PolarHBondContact O-OG1 2.96Å |
| 60 | A | 51.8 | Low | 59.6 | Low | 27 Ų | 27 | 81.1 Ų | 81.1 | 22% | 0.223 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.1 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V56 H58 A62 T63 E64 | V56-A60 VanDerWaalsContact O-CB 3.31Å; V56-A60 WeakPolarHBondContact O-CB 3.27Å; V56-A60 PolarHBondContact O-N 3.49Å; H58-A60 VanDerWaalsContact C-N 3.35Å; A60-A62 VanDerWaalsContact C-N 3.29Å; A60-A62 PolarHBondContact O-N 2.93Å; A60-T63 CarbonylContact O-C 3.48Å; A60-T63 PolarHBondContact O-N 3.4Å; A60-T63 PolarHBondContact O-OG1 3.33Å; A60-E64 WeakPolarHBondContact O-CB 3.33Å; A60-E64 PolarHBondContact O-N 3.03Å |
| 61 | L | 50.8 | Low | 60.7 | Low | 74 Ų | 74 | 82.2 Ų | 82.2 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.6 | -30.3 | 178.8 | -72.9 | 174.9 | 0 | 0 | 0 | 112.9 | E57 T63 | E57-L61 HydrophobicContact CG-CD1 3.63Å; E57-L61 HydrophobicContact CG-CG 4.33Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.01Å; L61-T63 PolarHBondContact O-N 3.35Å |
| 62 | A | 55.9 | Low | 62 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 71% | 0.711 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.9 | -26.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H58 A60 | H58-A62 WeakPolarHBondContact O-CB 3.43Å; H58-A62 PolarHBondContact O-N 3.13Å; A60-A62 VanDerWaalsContact C-N 3.29Å; A60-A62 PolarHBondContact O-N 2.93Å |
| 63 | T | 57.4 | Low | 63.3 | Low | 116 Ų | 116 | 86.7 Ų | 86.7 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -101.9 | -26.3 | -178.4 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | Q59 A60 L61 | Q59-T63 WeakPolarHBondContact O-CG2 3.47Å; Q59-T63 PolarHBondContact O-OG1 2.96Å; A60-T63 CarbonylContact O-C 3.48Å; A60-T63 PolarHBondContact O-N 3.4Å; A60-T63 PolarHBondContact O-OG1 3.33Å; L61-T63 PolarHBondContact O-N 3.35Å |
| 64 | E | 51.4 | Low | 64.4 | Low | 40 Ų | 40 | 88.9 Ų | 88.9 | 19% | 0.187 | 45% | 0.447 | C | S | . | . | trans | -112 | 111.5 | -167 | -157.8 | 164 | -124.9 | 0 | 0 | 112 | A60 D66 K69 I73 | A60-E64 WeakPolarHBondContact O-CB 3.33Å; A60-E64 PolarHBondContact O-N 3.03Å; E64-D66 VanDerWaalsContact C-N 3.26Å; E64-D66 PolarHBondContact O-N 3.26Å; E64-K69 WeakPolarHBondContact OE1-CD 3.37Å; E64-K69 WeakPolarHBondContact OE1-CE 3.48Å; E64-K69 IonicContact OE1-NZ 2.65Å; E64-K69 PolarHBondContact OE1-NZ 2.96Å; E64-I73 VanDerWaalsContact OE2-CD1 3.23Å; E64-I73 WeakPolarHBondContact OE2-CD1 3.29Å | ||
| 65 | R | 63.2 | Low | 66 | Low | 254 Ų | 254 | 93.9 Ų | 93.9 | 96% | 0.958 | 47% | 0.469 | S | S | * | . | trans | -78.8 | -2.7 | -173.8 | -145.1 | 175.2 | -175.2 | 164 | 0.4 | 114 | ||||
| 66 | D | 74.3 | Confident | 67.6 | Low | 78 Ų | 78 | 93.4 Ų | 93.4 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | trans | -112.1 | 108 | -173.7 | -173.9 | -8.2 | 0 | 0 | 0 | 111.8 | E64 Q68 K69 S70 | E64-D66 VanDerWaalsContact C-N 3.26Å; E64-D66 PolarHBondContact O-N 3.26Å; D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 3.09Å; D66-Q68 PolarHBondContact OD1-N 2.78Å; D66-K69 HydrophobicContact CB-CB 4.2Å; D66-K69 PolarHBondContact O-N 3.02Å; D66-S70 PolarHBondContact O-N 2.8Å | ||
| 67 | P | 72.6 | Confident | 68.9 | Low | 95 Ų | 95 | 92.7 Ų | 92.7 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.9 | -27.9 | -177.4 | 26 | -34.3 | 0 | 0 | 0 | 113.6 | K69 S70 E71 | P67-K69 VanDerWaalsContact C-N 3.34Å; P67-S70 WeakPolarHBondContact CA-OG 3.49Å; P67-S70 PolarHBondContact O-OG 3.05Å; P67-E71 PolarHBondContact O-N 2.83Å; P67-E71 VanDerWaalsContact O-N 3.08Å |
| 68 | Q | 79.9 | Confident | 70.5 | Confident | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.4 | -34.8 | 178.8 | -71.3 | -169.8 | -17.1 | 0 | 0 | 111.5 | D66 R72 | D66-Q68 VanDerWaalsContact C-N 3.26Å; D66-Q68 PolarHBondContact O-N 3.09Å; D66-Q68 PolarHBondContact OD1-N 2.78Å; Q68-R72 WeakPolarHBondContact O-CG 3.42Å; Q68-R72 PolarHBondContact O-N 3.43Å |
| 69 | K | 75.6 | Confident | 72.4 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 178.5 | -165.4 | 167.3 | 169 | -144.8 | 0 | 110.8 | E64 D66 P67 E71 R72 I73 | E64-K69 WeakPolarHBondContact OE1-CD 3.37Å; E64-K69 WeakPolarHBondContact OE1-CE 3.48Å; E64-K69 IonicContact OE1-NZ 2.65Å; E64-K69 PolarHBondContact OE1-NZ 2.96Å; D66-K69 HydrophobicContact CB-CB 4.2Å; D66-K69 PolarHBondContact O-N 3.02Å; P67-K69 VanDerWaalsContact C-N 3.34Å; K69-E71 VanDerWaalsContact C-N 3.32Å; K69-E71 PolarHBondContact O-N 2.83Å; K69-R72 PolarHBondContact O-N 3.38Å; K69-I73 HydrophobicContact CG-CD1 4.26Å; K69-I73 WeakPolarHBondContact O-CG1 3.44Å; K69-I73 PolarHBondContact O-N 3.46Å |
| 70 | S | 68 | Low | 74 | Confident | 23 Ų | 23 | 97.7 Ų | 97.7 | 16% | 0.161 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 173.8 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | D66 P67 R72 I73 M74 | D66-S70 PolarHBondContact O-N 2.8Å; P67-S70 WeakPolarHBondContact CA-OG 3.49Å; P67-S70 PolarHBondContact O-OG 3.05Å; S70-R72 PolarHBondContact O-N 3.49Å; S70-I73 PolarHBondContact O-N 3.01Å; S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å |
| 71 | E | 77.9 | Confident | 75.3 | Confident | 95 Ų | 95 | 97.3 Ų | 97.3 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 177.5 | -164 | -166 | 151.4 | 0 | 0 | 112.1 | P67 K69 M74 K75 | P67-E71 PolarHBondContact O-N 2.83Å; P67-E71 VanDerWaalsContact O-N 3.08Å; K69-E71 VanDerWaalsContact C-N 3.32Å; K69-E71 PolarHBondContact O-N 2.83Å; E71-M74 PolarHBondContact O-N 2.86Å; E71-K75 HydrophobicContact CG-CD 4.49Å; E71-K75 WeakPolarHBondContact O-CB 3.33Å; E71-K75 WeakPolarHBondContact O-CG 3.15Å; E71-K75 PolarHBondContact O-N 2.8Å; E71-K75 VanDerWaalsContact OE1-CE 3.28Å; E71-K75 WeakPolarHBondContact OE1-CE 3.34Å; E71-K75 IonicContact OE1-NZ 2.66Å; E71-K75 PolarHBondContact OE1-NZ 2.87Å |
| 72 | R | 86.5 | Confident | 77 | Confident | 183 Ų | 183 | 102.2 Ų | 102.2 | 69% | 0.691 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | 175.2 | -72.3 | -179.4 | -167.6 | 178.2 | 5.5 | 112 | Q68 K69 S70 M74 K75 S76 | Q68-R72 WeakPolarHBondContact O-CG 3.42Å; Q68-R72 PolarHBondContact O-N 3.43Å; K69-R72 PolarHBondContact O-N 3.38Å; S70-R72 PolarHBondContact O-N 3.49Å; R72-M74 VanDerWaalsContact C-N 3.35Å; R72-K75 PolarHBondContact O-N 3.42Å; R72-S76 WeakPolarHBondContact O-CB 3.46Å; R72-S76 PolarHBondContact O-N 3.31Å |
| 73 | I | 81.7 | Confident | 78.5 | Confident | 65 Ų | 65 | 104.2 Ų | 104.2 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.8 | -67 | 166.6 | 0 | 0 | 0 | 109.7 | E64 K69 S70 S76 L77 | E64-I73 VanDerWaalsContact OE2-CD1 3.23Å; E64-I73 WeakPolarHBondContact OE2-CD1 3.29Å; K69-I73 HydrophobicContact CG-CD1 4.26Å; K69-I73 WeakPolarHBondContact O-CG1 3.44Å; K69-I73 PolarHBondContact O-N 3.46Å; S70-I73 PolarHBondContact O-N 3.01Å; I73-S76 WeakPolarHBondContact O-CB 3.49Å; I73-S76 PolarHBondContact O-N 2.85Å; I73-L77 HydrophobicContact CG2-CD1 3.98Å; I73-L77 HydrophobicContact CG2-CG 4.46Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.22Å |
| 74 | M | 80.4 | Confident | 79.6 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 37% | 0.365 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 176.7 | -175.6 | -171.5 | -68.8 | 0 | 0 | 111.8 | S70 E71 R72 S76 L77 M78 | S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å; E71-M74 PolarHBondContact O-N 2.86Å; R72-M74 VanDerWaalsContact C-N 3.35Å; M74-S76 PolarHBondContact O-N 3.38Å; M74-L77 PolarHBondContact O-N 3.22Å; M74-M78 HydrophobicContact CG-CG 4.48Å; M74-M78 HydrophobicContact CG-SD 4.49Å; M74-M78 WeakPolarHBondContact O-CG 3.36Å; M74-M78 PolarHBondContact O-N 2.86Å |
| 75 | K | 88.1 | Confident | 80.8 | Confident | 131 Ų | 131 | 103.5 Ų | 103.5 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.4 | -39.6 | 176.1 | -78.6 | 174.8 | 168.5 | 165.4 | 0 | 111.8 | E71 R72 K79 | E71-K75 HydrophobicContact CG-CD 4.49Å; E71-K75 WeakPolarHBondContact O-CB 3.33Å; E71-K75 WeakPolarHBondContact O-CG 3.15Å; E71-K75 PolarHBondContact O-N 2.8Å; E71-K75 VanDerWaalsContact OE1-CE 3.28Å; E71-K75 WeakPolarHBondContact OE1-CE 3.34Å; E71-K75 IonicContact OE1-NZ 2.66Å; E71-K75 PolarHBondContact OE1-NZ 2.87Å; R72-K75 PolarHBondContact O-N 3.42Å; K75-K79 VanDerWaalsContact O-CB 3.26Å; K75-K79 WeakPolarHBondContact O-CB 3.31Å; K75-K79 PolarHBondContact O-N 3.45Å |
| 76 | S | 87.9 | Confident | 81.7 | Confident | 77 Ų | 77 | 98.7 Ų | 98.7 | 54% | 0.538 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 176.3 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | R72 I73 M74 K79 K80 | R72-S76 WeakPolarHBondContact O-CB 3.46Å; R72-S76 PolarHBondContact O-N 3.31Å; I73-S76 WeakPolarHBondContact O-CB 3.49Å; I73-S76 PolarHBondContact O-N 2.85Å; M74-S76 PolarHBondContact O-N 3.38Å; S76-K79 PolarHBondContact O-N 2.8Å; S76-K80 PolarHBondContact O-N 3.28Å |
| 77 | L | 83.7 | Confident | 82 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 31% | 0.309 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 177.7 | -76.3 | 171.3 | 0 | 0 | 0 | 111.8 | V56 I73 M74 K79 K80 A81 | V56-L77 HydrophobicContact CG1-CD1 4.11Å; I73-L77 HydrophobicContact CG2-CD1 3.98Å; I73-L77 HydrophobicContact CG2-CG 4.46Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.22Å; M74-L77 PolarHBondContact O-N 3.22Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 3.32Å; L77-K80 WeakPolarHBondContact O-CA 3.37Å; L77-K80 WeakPolarHBondContact O-CB 3.29Å; L77-K80 PolarHBondContact O-N 2.82Å; L77-A81 PolarHBondContact O-N 2.87Å |
| 78 | M | 85.8 | Confident | 82.2 | Confident | 63 Ų | 63 | 103.7 Ų | 103.7 | 31% | 0.31 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 175.9 | -71.7 | -167.4 | 81.7 | 0 | 0 | 111.8 | M74 K80 A81 R82 | M74-M78 HydrophobicContact CG-CG 4.48Å; M74-M78 HydrophobicContact CG-SD 4.49Å; M74-M78 WeakPolarHBondContact O-CG 3.36Å; M74-M78 PolarHBondContact O-N 2.86Å; M78-K80 VanDerWaalsContact C-N 3.31Å; M78-K80 PolarHBondContact O-N 2.91Å; M78-A81 PolarHBondContact O-N 2.93Å; M78-R82 WeakPolarHBondContact O-CB 3.4Å; M78-R82 WeakPolarHBondContact O-CG 3.34Å; M78-R82 PolarHBondContact O-N 2.81Å |
| 79 | K | 91.1 | Very high | 81.6 | Confident | 135 Ų | 135 | 102 Ų | 102 | 59% | 0.587 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 175.4 | -172 | 172.9 | -174.2 | 172.7 | 0 | 111.6 | K75 S76 L77 K83 | K75-K79 VanDerWaalsContact O-CB 3.26Å; K75-K79 WeakPolarHBondContact O-CB 3.31Å; K75-K79 PolarHBondContact O-N 3.45Å; S76-K79 PolarHBondContact O-N 2.8Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 3.32Å; K79-K83 WeakPolarHBondContact O-CG 3.35Å; K79-K83 PolarHBondContact O-N 2.71Å; K79-K83 VanDerWaalsContact O-N 3.12Å |
| 80 | K | 89.3 | Confident | 81.3 | Confident | 145 Ų | 145 | 100.5 Ų | 100.5 | 63% | 0.63 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.2 | -45.8 | 176.2 | -170.3 | 179 | 177.9 | -174.9 | 0 | 111.5 | S76 L77 M78 K83 E84 | S76-K80 PolarHBondContact O-N 3.28Å; L77-K80 WeakPolarHBondContact O-CA 3.37Å; L77-K80 WeakPolarHBondContact O-CB 3.29Å; L77-K80 PolarHBondContact O-N 2.82Å; M78-K80 VanDerWaalsContact C-N 3.31Å; M78-K80 PolarHBondContact O-N 2.91Å; K80-K83 WeakPolarHBondContact O-CB 3.24Å; K80-K83 PolarHBondContact O-N 3.39Å; K80-E84 PolarHBondContact O-N 3.29Å |
| 81 | A | 80.6 | Confident | 80.9 | Confident | 20 Ų | 20 | 101.2 Ų | 101.2 | 17% | 0.165 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.6 | -50.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V49 L77 M78 K83 E84 V85 | V49-A81 HydrophobicContact CG1-CB 3.62Å; L77-A81 PolarHBondContact O-N 2.87Å; M78-A81 PolarHBondContact O-N 2.93Å; A81-K83 VanDerWaalsContact C-N 3.29Å; A81-K83 PolarHBondContact O-N 3.11Å; A81-E84 PolarHBondContact O-N 2.96Å; A81-V85 WeakPolarHBondContact O-CG2 3.42Å; A81-V85 PolarHBondContact O-N 2.99Å |
| 82 | R | 86.6 | Confident | 79.9 | Confident | 176 Ų | 176 | 105 Ų | 105 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58 | -41.4 | 176.6 | -71.9 | 178.9 | -177.7 | -170.3 | 1 | 112 | M78 E84 K86 | M78-R82 WeakPolarHBondContact O-CB 3.4Å; M78-R82 WeakPolarHBondContact O-CG 3.34Å; M78-R82 PolarHBondContact O-N 2.81Å; R82-E84 VanDerWaalsContact C-N 3.33Å; R82-E84 PolarHBondContact O-N 2.77Å; R82-K86 WeakPolarHBondContact O-CB 3.35Å; R82-K86 PolarHBondContact O-N 2.94Å |
| 83 | K | 87.3 | Confident | 78.4 | Confident | 129 Ų | 129 | 101.4 Ų | 101.4 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -38 | 175 | -78.2 | -179.6 | 176.1 | -171.8 | 0 | 112.3 | K79 K80 A81 K87 | K79-K83 WeakPolarHBondContact O-CG 3.35Å; K79-K83 PolarHBondContact O-N 2.71Å; K79-K83 VanDerWaalsContact O-N 3.12Å; K80-K83 WeakPolarHBondContact O-CB 3.24Å; K80-K83 PolarHBondContact O-N 3.39Å; A81-K83 VanDerWaalsContact C-N 3.29Å; A81-K83 PolarHBondContact O-N 3.11Å; K83-K87 WeakPolarHBondContact O-CG 3.43Å; K83-K87 PolarHBondContact O-N 3Å |
| 84 | E | 79.4 | Confident | 77.2 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 178.9 | -165.4 | 179.7 | 149.4 | 0 | 0 | 112.2 | K80 A81 R82 K86 K87 K88 | K80-E84 PolarHBondContact O-N 3.29Å; A81-E84 PolarHBondContact O-N 2.96Å; R82-E84 VanDerWaalsContact C-N 3.33Å; R82-E84 PolarHBondContact O-N 2.77Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 3.18Å; E84-K87 WeakPolarHBondContact O-CB 3.15Å; E84-K87 PolarHBondContact O-N 3.47Å; E84-K88 PolarHBondContact O-N 3.09Å; E84-K88 VanDerWaalsContact OE1-CE 3.23Å; E84-K88 WeakPolarHBondContact OE1-CE 3.34Å; E84-K88 IonicContact OE1-NZ 2.77Å; E84-K88 PolarHBondContact OE1-NZ 2.98Å |
| 85 | V | 77.4 | Confident | 75.8 | Confident | 46 Ų | 46 | 110.5 Ų | 110.5 | 28% | 0.279 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | A81 K87 K88 N89 | A81-V85 WeakPolarHBondContact O-CG2 3.42Å; A81-V85 PolarHBondContact O-N 2.99Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 3.34Å; V85-K88 PolarHBondContact O-N 3.24Å; V85-K88 VanDerWaalsContact O-N 3.13Å; V85-N89 PolarHBondContact O-N 2.9Å |
| 86 | K | 82.2 | Confident | 74 | Confident | 153 Ų | 153 | 113.9 Ų | 113.9 | 67% | 0.665 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | 176.1 | -169 | 167.1 | -176.6 | 167.3 | 0 | 112 | R82 E84 N89 V90 | R82-K86 WeakPolarHBondContact O-CB 3.35Å; R82-K86 PolarHBondContact O-N 2.94Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 3.18Å; K86-N89 PolarHBondContact O-N 3.31Å; K86-V90 VanDerWaalsContact O-CG2 3.3Å; K86-V90 WeakPolarHBondContact O-CG2 3.09Å; K86-V90 PolarHBondContact O-N 3.47Å; K86-V90 VanDerWaalsContact O-N 3.09Å |
| 87 | K | 80.3 | Confident | 72.1 | Confident | 162 Ų | 162 | 114.9 Ų | 114.9 | 70% | 0.704 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 174.9 | -77 | 178.3 | 178.1 | -173 | 0 | 112.6 | K83 E84 V85 G91 | K83-K87 WeakPolarHBondContact O-CG 3.43Å; K83-K87 PolarHBondContact O-N 3Å; E84-K87 WeakPolarHBondContact O-CB 3.15Å; E84-K87 PolarHBondContact O-N 3.47Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 3.34Å; K87-G91 PolarHBondContact O-N 3.21Å |
| 88 | K | 76.1 | Confident | 70.4 | Confident | 117 Ų | 117 | 120.2 Ų | 120.2 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.6 | -38.8 | 178.9 | -73.3 | 178.2 | -177 | 166 | 0 | 111.7 | E84 V85 G91 R92 | E84-K88 PolarHBondContact O-N 3.09Å; E84-K88 VanDerWaalsContact OE1-CE 3.23Å; E84-K88 WeakPolarHBondContact OE1-CE 3.34Å; E84-K88 IonicContact OE1-NZ 2.77Å; E84-K88 PolarHBondContact OE1-NZ 2.98Å; V85-K88 PolarHBondContact O-N 3.24Å; V85-K88 VanDerWaalsContact O-N 3.13Å; K88-G91 PolarHBondContact O-N 3.34Å; K88-R92 PolarHBondContact O-N 3.49Å |
| 89 | N | 67.4 | Low | 68.1 | Low | 88 Ų | 88 | 126.7 Ų | 126.7 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.4 | -43.2 | 177.5 | -72.3 | 2.1 | 0 | 0 | 0 | 112.1 | V85 K86 G91 R92 T93 | V85-N89 PolarHBondContact O-N 2.9Å; K86-N89 PolarHBondContact O-N 3.31Å; N89-G91 VanDerWaalsContact C-N 3.29Å; N89-G91 PolarHBondContact O-N 3.38Å; N89-R92 PolarHBondContact O-N 3.5Å; N89-T93 PolarHBondContact O-N 3.24Å |
| 90 | V | 70.1 | Confident | 65.6 | Low | 76 Ų | 76 | 129.3 Ų | 129.3 | 46% | 0.461 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.2 | -32.1 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | K86 T93 K94 | K86-V90 VanDerWaalsContact O-CG2 3.3Å; K86-V90 WeakPolarHBondContact O-CG2 3.09Å; K86-V90 PolarHBondContact O-N 3.47Å; K86-V90 VanDerWaalsContact O-N 3.09Å; V90-T93 PolarHBondContact O-OG1 2.83Å; V90-K94 PolarHBondContact O-N 2.92Å |
| 91 | G | 58.8 | Low | 63.3 | Low | 38 Ų | 38 | 132.5 Ų | 132.5 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.9 | -37.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K87 K88 N89 K94 K95 | K87-G91 PolarHBondContact O-N 3.21Å; K88-G91 PolarHBondContact O-N 3.34Å; N89-G91 VanDerWaalsContact C-N 3.29Å; N89-G91 PolarHBondContact O-N 3.38Å; G91-K94 PolarHBondContact O-N 3.16Å; G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 2.72Å |
| 92 | R | 56.2 | Low | 61.4 | Low | 174 Ų | 174 | 135.1 Ų | 135.1 | 66% | 0.657 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.6 | -36.3 | 178.3 | -91.6 | -176.5 | 150.6 | 178 | -4.9 | 112.5 | K88 N89 | K88-R92 PolarHBondContact O-N 3.49Å; N89-R92 PolarHBondContact O-N 3.5Å |
| 93 | T | 56.5 | Low | 59.2 | Low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.4 | -35.1 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | N89 V90 | N89-T93 PolarHBondContact O-N 3.24Å; V90-T93 PolarHBondContact O-OG1 2.83Å |
| 94 | K | 54.7 | Low | 56.9 | Low | 157 Ų | 157 | 137.1 Ų | 137.1 | 68% | 0.683 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.6 | -27.1 | 176.3 | -73.3 | -169.1 | 175.4 | -175 | 0 | 114.7 | V90 G91 K96 S97 | V90-K94 PolarHBondContact O-N 2.92Å; G91-K94 PolarHBondContact O-N 3.16Å; K94-K96 PolarHBondContact O-N 3.38Å; K94-S97 PolarHBondContact O-N 2.9Å; K94-S97 PolarHBondContact O-OG 2.86Å |
| 95 | K | 51.3 | Low | 54.9 | Low | 172 Ų | 172 | 141.8 Ų | 141.8 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -8.2 | -175.2 | -134.5 | 177 | -174.4 | 179 | 0 | 114.4 | G91 S97 | G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 2.72Å; K95-S97 VanDerWaalsContact C-N 3.26Å; K95-S97 PolarHBondContact O-N 3.19Å |
| 96 | K | 50.8 | Low | 53.2 | Low | 203 Ų | 203 | 148.9 Ų | 148.9 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -16.5 | 174 | -120.4 | -179.5 | -178.8 | -179.5 | 0 | 113.3 | K94 | K94-K96 PolarHBondContact O-N 3.38Š|
| 97 | S | 48.5 | Very low | 51.1 | Low | 98 Ų | 98 | 147.4 Ų | 147.4 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -105.2 | -3.8 | -176.9 | 60 | 0 | 0 | 0 | 0 | 116.2 | K94 K95 | K94-S97 PolarHBondContact O-N 2.9Å; K94-S97 PolarHBondContact O-OG 2.86Å; K95-S97 VanDerWaalsContact C-N 3.26Å; K95-S97 PolarHBondContact O-N 3.19Å |
| 98 | Q | 46.8 | Very low | 49.2 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -134 | 64.6 | -178.9 | -68.1 | -167.9 | -15.2 | 0 | 0 | 112.8 | ||||
| 99 | K | 38.6 | Very low | 47.4 | Very low | 198 Ų | 198 | 154.8 Ų | 154.8 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -98.9 | 79.8 | 161.8 | -170.8 | -178 | -178.2 | -177.6 | 0 | 108.6 | ||||
| 100 | K | 39.2 | Very low | 46.1 | Very low | 190 Ų | 190 | 158 Ų | 158 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -169.8 | 129.6 | 156.2 | -112.2 | 172.4 | -176 | -179.7 | 0 | 111.2 | ||||
| 101 | K | 40.9 | Very low | 44.7 | Very low | 212 Ų | 212 | 160.2 Ų | 160.2 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | trans | 71.5 | 133.2 | 170.8 | -55.3 | 179.9 | 176.5 | -178.3 | 0 | 114.2 | ||||
| 102 | G | 40.4 | Very low | 44.1 | Very low | 75 Ų | 75 | 164.3 Ų | 164.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | cis | 171.6 | 137.7 | 6.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 103 | T | 39.1 | Very low | 43.7 | Very low | 145 Ų | 145 | 164.3 Ų | 164.3 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -51 | 133.6 | 178.3 | 37.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 104 | K | 39.3 | Very low | 43.3 | Very low | 202 Ų | 202 | 167.2 Ų | 167.2 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -150 | 104.2 | 145 | -143.8 | 167.9 | -174.2 | 171.3 | 0 | 111.8 | ||||
| 105 | K | 37.8 | Very low | 43.2 | Very low | 192 Ų | 192 | 164 Ų | 164 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -68.2 | 121.8 | 172.9 | -164 | 177.7 | -175.4 | -179.7 | 0 | 108.2 | ||||
| 106 | K | 41 | Very low | 43.5 | Very low | 196 Ų | 196 | 163.3 Ų | 163.3 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -118.1 | 103.2 | 165 | -87.7 | -171.1 | 176 | -177.2 | 0 | 108.4 | ||||
| 107 | T | 39.8 | Very low | 43.5 | Very low | 121 Ų | 121 | 159 Ų | 159 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -72 | 123.1 | 163.9 | 40.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 108 | R | 39 | Very low | 43.9 | Very low | 249 Ų | 249 | 159.8 Ų | 159.8 | 94% | 0.94 | 78% | 0.784 | S | S | * | * | trans | -114.3 | 115.1 | 159.3 | -85.9 | -172.9 | 166.3 | -175.5 | -5.4 | 107.4 | ||||
| 109 | K | 38.3 | Very low | 44.9 | Very low | 186 Ų | 186 | 155.9 Ų | 155.9 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | trans | -73.8 | 147.9 | 159.1 | -79.5 | 177.9 | 167.1 | -179.6 | 0 | 108.2 | ||||
| 110 | D | 41.6 | Very low | 46.1 | Very low | 155 Ų | 155 | 151.4 Ų | 151.4 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | 153.1 | 117.4 | 133.7 | -69.2 | -23.6 | 0 | 0 | 0 | 109.2 | ||||
| 111 | D | 39.4 | Very low | 47.7 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 66% | 0.658 | 74% | 0.74 | S | S | * | * | trans | -67.8 | 165.1 | -178.3 | -68.4 | -76.4 | 0 | 0 | 0 | 112.4 | ||||
| 112 | P | 46.4 | Very low | 49.2 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | -135.7 | 115.9 | 81.2 | 23.3 | -2 | 0 | 0 | 0 | 113.2 | Q114 | P112-Q114 PolarHBondContact O-N 2.96Š| |||
| 113 | K | 47.6 | Very low | 50.2 | Low | 174 Ų | 174 | 143.1 Ų | 143.1 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 98 | 163.7 | -74.8 | 168.4 | 176.1 | 168.6 | 0 | 110.1 | ||
| 114 | Q | 49 | Very low | 51.6 | Low | 169 Ų | 169 | 143.3 Ų | 143.3 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.9 | -18.4 | 155.4 | -86.5 | -157.7 | -26.7 | 0 | 0 | 114.5 | P112 | P112-Q114 PolarHBondContact O-N 2.96Š|
| 115 | S | 52 | Low | 53.2 | Low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -80.4 | -24.4 | -178.1 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 116 | K | 57.2 | Low | 54.4 | Low | 158 Ų | 158 | 136.9 Ų | 136.9 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78.1 | -34.4 | -173.8 | -67 | -179.1 | -178 | 174.7 | 0 | 113.5 | D119 L120 | K116-D119 PolarHBondContact O-N 3.37Å; K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 WeakPolarHBondContact O-CD1 3.48Å; K116-L120 PolarHBondContact O-N 2.81Å |
| 117 | D | 51.4 | Low | 55.2 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 60% | 0.599 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.8 | -35.6 | -176.9 | -69.9 | -27.1 | 0 | 0 | 0 | 112 | D119 L120 V121 | D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.23Å; D117-L120 PolarHBondContact O-N 3.49Å; D117-V121 WeakPolarHBondContact O-CG2 3.41Å; D117-V121 PolarHBondContact O-N 3.47Å |
| 118 | L | 56.8 | Low | 56.2 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 60% | 0.602 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.7 | -35.4 | 176.2 | -132.2 | 122 | 0 | 0 | 0 | 111.7 | K122 | L118-K122 WeakPolarHBondContact O-CG 3.5Å; L118-K122 PolarHBondContact O-N 2.85Å |
| 119 | D | 67.8 | Low | 57 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 48% | 0.481 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.7 | -41.9 | 172.2 | -83.5 | -13 | 0 | 0 | 0 | 111.7 | K116 D117 V121 K122 I123 | K116-D119 PolarHBondContact O-N 3.37Å; D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.23Å; D119-V121 VanDerWaalsContact C-N 3.32Å; D119-V121 PolarHBondContact O-N 3.37Å; D119-K122 PolarHBondContact O-N 3.39Å; D119-I123 HydrophobicContact CB-CD1 4.36Å; D119-I123 VanDerWaalsContact O-CB 3.29Å; D119-I123 WeakPolarHBondContact O-CB 3.26Å; D119-I123 WeakPolarHBondContact O-CD1 3.37Å; D119-I123 WeakPolarHBondContact O-CG1 3.33Å; D119-I123 PolarHBondContact O-N 3.23Å |
| 120 | L | 64.6 | Low | 57.7 | Low | 103 Ų | 103 | 120 Ų | 120 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.7 | -38.6 | 176.6 | -96.7 | 87.1 | 0 | 0 | 0 | 112.4 | K116 D117 I123 K124 | K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 WeakPolarHBondContact O-CD1 3.48Å; K116-L120 PolarHBondContact O-N 2.81Å; D117-L120 PolarHBondContact O-N 3.49Å; L120-I123 PolarHBondContact O-N 2.84Å; L120-K124 WeakPolarHBondContact O-CB 3.26Å; L120-K124 PolarHBondContact O-N 3.49Å |
| 121 | V | 73.1 | Confident | 58.2 | Low | 88 Ų | 88 | 121 Ų | 121 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.7 | -42.2 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | D117 D119 K124 K125 | D117-V121 WeakPolarHBondContact O-CG2 3.41Å; D117-V121 PolarHBondContact O-N 3.47Å; D119-V121 VanDerWaalsContact C-N 3.32Å; D119-V121 PolarHBondContact O-N 3.37Å; V121-K124 PolarHBondContact O-N 3.03Å; V121-K125 PolarHBondContact O-N 2.94Å |
| 122 | K | 72.4 | Confident | 58.8 | Low | 119 Ų | 119 | 119.6 Ų | 119.6 | 52% | 0.517 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.3 | -43.6 | 174.6 | -75.3 | 175.1 | -178.5 | 173.3 | 0 | 111.5 | L118 D119 K125 I126 | L118-K122 WeakPolarHBondContact O-CG 3.5Å; L118-K122 PolarHBondContact O-N 2.85Å; D119-K122 PolarHBondContact O-N 3.39Å; K122-K125 PolarHBondContact O-N 3.27Å; K122-I126 VanDerWaalsContact O-CG1 3.28Å; K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 2.96Å |
| 123 | I | 61 | Low | 59.3 | Low | 96 Ų | 96 | 119.3 Ų | 119.3 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.8 | -46.5 | 176.9 | -67.9 | 162.8 | 0 | 0 | 0 | 109.9 | D119 L120 K125 I126 V127 | D119-I123 HydrophobicContact CB-CD1 4.36Å; D119-I123 VanDerWaalsContact O-CB 3.29Å; D119-I123 WeakPolarHBondContact O-CB 3.26Å; D119-I123 WeakPolarHBondContact O-CD1 3.37Å; D119-I123 WeakPolarHBondContact O-CG1 3.33Å; D119-I123 PolarHBondContact O-N 3.23Å; L120-I123 PolarHBondContact O-N 2.84Å; I123-K125 PolarHBondContact O-N 3.3Å; I123-I126 PolarHBondContact O-N 3.48Å; I123-V127 HydrophobicContact CG2-CG2 4.2Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.24Å; I123-V127 WeakPolarHBondContact O-CG2 3.21Å; I123-V127 PolarHBondContact O-N 3.21Å |
| 124 | K | 68.5 | Low | 60 | Low | 150 Ų | 150 | 118.9 Ų | 118.9 | 65% | 0.652 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57.9 | -46 | 175.4 | -95.4 | -173 | 172.1 | -174.4 | 0 | 112.2 | L120 V121 I126 V127 E128 | L120-K124 WeakPolarHBondContact O-CB 3.26Å; L120-K124 PolarHBondContact O-N 3.49Å; V121-K124 PolarHBondContact O-N 3.03Å; K124-I126 PolarHBondContact O-N 3.32Å; K124-V127 PolarHBondContact O-N 3.12Å; K124-E128 WeakPolarHBondContact O-CB 3.48Å; K124-E128 PolarHBondContact O-N 3Å |
| 125 | K | 71.6 | Confident | 60.8 | Low | 150 Ų | 150 | 119.1 Ų | 119.1 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.2 | -40.5 | 176.8 | -86.9 | -173.2 | 175.4 | -179.6 | 0 | 112.7 | V121 K122 I123 A129 | V121-K125 PolarHBondContact O-N 2.94Å; K122-K125 PolarHBondContact O-N 3.27Å; I123-K125 PolarHBondContact O-N 3.3Å; K125-A129 WeakPolarHBondContact O-CB 3.41Å; K125-A129 PolarHBondContact O-N 3.4Å |
| 126 | I | 63.4 | Low | 61.1 | Low | 108 Ų | 108 | 117 Ų | 117 | 55% | 0.554 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.3 | -45.3 | 176.5 | -67.9 | 164.2 | 0 | 0 | 0 | 109.8 | K122 I123 K124 A129 T130 | K122-I126 VanDerWaalsContact O-CG1 3.28Å; K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 2.96Å; I123-I126 PolarHBondContact O-N 3.48Å; K124-I126 PolarHBondContact O-N 3.32Å; I126-A129 PolarHBondContact O-N 3.36Å; I126-T130 PolarHBondContact O-N 3.09Å; I126-T130 PolarHBondContact O-OG1 3.47Å |
| 127 | V | 58.8 | Low | 61.5 | Low | 86 Ų | 86 | 111.4 Ų | 111.4 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -43.5 | 179.6 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | I123 K124 A129 T130 | I123-V127 HydrophobicContact CG2-CG2 4.2Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.24Å; I123-V127 WeakPolarHBondContact O-CG2 3.21Å; I123-V127 PolarHBondContact O-N 3.21Å; K124-V127 PolarHBondContact O-N 3.12Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-T130 WeakPolarHBondContact CA-OG1 3.27Å; V127-T130 CarbonylContact O-C 3.54Å; V127-T130 VanDerWaalsContact O-C 3.28Å; V127-T130 PolarHBondContact O-N 3.17Å; V127-T130 PolarHBondContact O-OG1 3.29Å |
| 128 | E | 59.7 | Low | 62.6 | Low | 143 Ų | 143 | 109.6 Ų | 109.6 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.7 | -32.8 | 175.2 | -80.4 | -177.1 | 169 | 0 | 0 | 112.8 | K124 K131 | K124-E128 WeakPolarHBondContact O-CB 3.48Å; K124-E128 PolarHBondContact O-N 3Å; E128-K131 WeakPolarHBondContact O-CG 3.34Å |
| 129 | A | 57.4 | Low | 63.6 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 69% | 0.694 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.4 | -32.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K125 I126 V127 K131 | K125-A129 WeakPolarHBondContact O-CB 3.41Å; K125-A129 PolarHBondContact O-N 3.4Å; I126-A129 PolarHBondContact O-N 3.36Å; V127-A129 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 2.97Å |
| 130 | T | 53 | Low | 63.8 | Low | 86 Ų | 86 | 109.1 Ų | 109.1 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | trans | -88 | 59.2 | 169.7 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | I126 V127 P132 | I126-T130 PolarHBondContact O-N 3.09Å; I126-T130 PolarHBondContact O-OG1 3.47Å; V127-T130 WeakPolarHBondContact CA-OG1 3.27Å; V127-T130 CarbonylContact O-C 3.54Å; V127-T130 VanDerWaalsContact O-C 3.28Å; V127-T130 PolarHBondContact O-N 3.17Å; V127-T130 PolarHBondContact O-OG1 3.29Å; T130-P132 WeakPolarHBondContact O-CD 2.95Å | ||
| 131 | K | 50.4 | Low | 64.4 | Low | 175 Ų | 175 | 110.3 Ų | 110.3 | 76% | 0.761 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.1 | 158 | -72.1 | -172 | -180 | -178.8 | 0 | 105.9 | E128 A129 D133 | E128-K131 WeakPolarHBondContact O-CG 3.34Å; A129-K131 PolarHBondContact O-N 2.97Å; K131-D133 PolarHBondContact O-N 3.1Å |
| 132 | P | 53.5 | Low | 64.7 | Low | 93 Ų | 93 | 113.3 Ų | 113.3 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118.5 | -174.8 | 31.6 | -36.6 | 0 | 0 | 0 | 105.8 | T130 E134 T137 | T130-P132 WeakPolarHBondContact O-CD 2.95Å; P132-E134 PolarHBondContact O-N 3.14Å; P132-E134 VanDerWaalsContact O-N 3.09Å; P132-T137 HydrophobicContact CB-CG2 3.44Å; P132-T137 VanDerWaalsContact CB-CG2 3.44Å; P132-T137 HydrophobicContact CG-CG2 3.72Å |
| 133 | D | 55.9 | Low | 65 | Low | 119 Ų | 119 | 111.4 Ų | 111.4 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 121.6 | -178.2 | -154.6 | -4.7 | 0 | 0 | 0 | 107.1 | K131 K135 A136 T137 | K131-D133 PolarHBondContact O-N 3.1Å; D133-K135 PolarHBondContact O-N 3.46Å; D133-A136 HydrophobicContact CB-CB 4.08Å; D133-A136 WeakPolarHBondContact O-CA 3.49Å; D133-A136 WeakPolarHBondContact O-CB 3.45Å; D133-A136 PolarHBondContact O-N 2.71Å; D133-T137 PolarHBondContact O-N 3.39Å |
| 134 | E | 61.8 | Low | 65.8 | Low | 164 Ų | 164 | 112 Ų | 112 | 77% | 0.766 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -53.4 | -35 | -169 | -79.8 | 179.3 | 151.3 | 0 | 0 | 110.9 | P132 T137 D138 | P132-E134 PolarHBondContact O-N 3.14Å; P132-E134 VanDerWaalsContact O-N 3.09Å; E134-T137 PolarHBondContact O-N 3.4Å; E134-T137 PolarHBondContact O-OG1 2.87Å; E134-D138 PolarHBondContact O-N 2.92Å |
| 135 | K | 65.7 | Low | 66.4 | Low | 174 Ų | 174 | 110.5 Ų | 110.5 | 76% | 0.757 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.9 | -36.9 | 175.3 | -62 | -176 | 178.9 | -179.5 | 0 | 113.5 | D133 K139 | D133-K135 PolarHBondContact O-N 3.46Å; K135-K139 PolarHBondContact O-N 3.49Å; K135-K139 VanDerWaalsContact O-N 3.14Å |
| 136 | A | 59.2 | Low | 66.9 | Low | 44 Ų | 44 | 106.3 Ų | 106.3 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D133 D138 K139 I140 | D133-A136 HydrophobicContact CB-CB 4.08Å; D133-A136 WeakPolarHBondContact O-CA 3.49Å; D133-A136 WeakPolarHBondContact O-CB 3.45Å; D133-A136 PolarHBondContact O-N 2.71Å; A136-D138 PolarHBondContact O-N 3.35Å; A136-K139 PolarHBondContact O-N 3.12Å; A136-I140 WeakPolarHBondContact O-CB 3.24Å; A136-I140 WeakPolarHBondContact O-CD1 3.16Å; A136-I140 WeakPolarHBondContact O-CG1 3.44Å; A136-I140 PolarHBondContact O-N 2.95Å |
| 137 | T | 64.7 | Low | 67.9 | Low | 40 Ų | 40 | 105.4 Ų | 105.4 | 25% | 0.245 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | P132 D133 E134 K139 I140 Q141 | P132-T137 HydrophobicContact CB-CG2 3.44Å; P132-T137 VanDerWaalsContact CB-CG2 3.44Å; P132-T137 HydrophobicContact CG-CG2 3.72Å; D133-T137 PolarHBondContact O-N 3.39Å; E134-T137 PolarHBondContact O-N 3.4Å; E134-T137 PolarHBondContact O-OG1 2.87Å; T137-K139 PolarHBondContact O-N 2.92Å; T137-I140 PolarHBondContact O-N 3.41Å; T137-Q141 WeakPolarHBondContact O-CB 3.43Å; T137-Q141 VanDerWaalsContact O-CG 3.26Å; T137-Q141 WeakPolarHBondContact O-CG 3.31Å; T137-Q141 PolarHBondContact O-N 2.91Å |
| 138 | D | 76.3 | Confident | 69.1 | Low | 74 Ų | 74 | 105 Ų | 105 | 40% | 0.396 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 178.3 | -176.3 | 36.1 | 0 | 0 | 0 | 111.3 | E134 A136 I140 Q141 R142 | E134-D138 PolarHBondContact O-N 2.92Å; A136-D138 PolarHBondContact O-N 3.35Å; D138-I140 PolarHBondContact O-N 2.91Å; D138-Q141 PolarHBondContact O-N 3.34Å; D138-R142 VanDerWaalsContact O-CB 3.27Å; D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 2.92Å; D138-R142 IonicContact OD1-NH2 3.36Å; D138-R142 PolarHBondContact OD1-NH2 3.02Å; D138-R142 IonicContact OD2-CZ 3.71Å; D138-R142 IonicContact OD2-NH2 2.71Å; D138-R142 PolarHBondContact OD2-NH2 3.43Å |
| 139 | K | 77.5 | Confident | 70.1 | Confident | 139 Ų | 139 | 101.4 Ų | 101.4 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -41.1 | 175 | -168.1 | 174.9 | -177.4 | -178.1 | 0 | 112.3 | K135 A136 T137 R142 N143 | K135-K139 PolarHBondContact O-N 3.49Å; K135-K139 VanDerWaalsContact O-N 3.14Å; A136-K139 PolarHBondContact O-N 3.12Å; T137-K139 PolarHBondContact O-N 2.92Å; K139-R142 PolarHBondContact O-N 3.11Å; K139-N143 WeakPolarHBondContact O-CB 3.2Å; K139-N143 VanDerWaalsContact O-CG 3.3Å; K139-N143 PolarHBondContact O-N 3.2Å |
| 140 | I | 71.7 | Confident | 71.5 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 29% | 0.287 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 176.8 | -69.1 | 161.7 | 0 | 0 | 0 | 110.3 | H58 A136 T137 D138 R142 N143 R144 | H58-I140 HydrophobicContact CB-CD1 4.42Å; A136-I140 WeakPolarHBondContact O-CB 3.24Å; A136-I140 WeakPolarHBondContact O-CD1 3.16Å; A136-I140 WeakPolarHBondContact O-CG1 3.44Å; A136-I140 PolarHBondContact O-N 2.95Å; T137-I140 PolarHBondContact O-N 3.41Å; D138-I140 PolarHBondContact O-N 2.91Å; I140-R142 PolarHBondContact O-N 3.35Å; I140-N143 PolarHBondContact O-N 2.94Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 PolarHBondContact O-N 2.78Å |
| 141 | Q | 76.4 | Confident | 72.8 | Confident | 128 Ų | 128 | 96.9 Ų | 96.9 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 177.7 | -74.1 | 179.1 | 5 | 0 | 0 | 111.6 | T137 D138 R144 L145 | T137-Q141 WeakPolarHBondContact O-CB 3.43Å; T137-Q141 VanDerWaalsContact O-CG 3.26Å; T137-Q141 WeakPolarHBondContact O-CG 3.31Å; T137-Q141 PolarHBondContact O-N 2.91Å; D138-Q141 PolarHBondContact O-N 3.34Å; Q141-R144 PolarHBondContact O-N 3.47Å; Q141-L145 WeakPolarHBondContact O-CB 3.28Å; Q141-L145 PolarHBondContact O-N 2.81Å |
| 142 | R | 79.5 | Confident | 74.4 | Confident | 151 Ų | 151 | 97.4 Ų | 97.4 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 176.2 | -166.4 | 177 | -63.3 | 141.3 | 11.7 | 111.9 | D138 K139 I140 L145 A146 | D138-R142 VanDerWaalsContact O-CB 3.27Å; D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 2.92Å; D138-R142 IonicContact OD1-NH2 3.36Å; D138-R142 PolarHBondContact OD1-NH2 3.02Å; D138-R142 IonicContact OD2-CZ 3.71Å; D138-R142 IonicContact OD2-NH2 2.71Å; D138-R142 PolarHBondContact OD2-NH2 3.43Å; K139-R142 PolarHBondContact O-N 3.11Å; I140-R142 PolarHBondContact O-N 3.35Å; R142-L145 PolarHBondContact O-N 3.49Å; R142-A146 WeakPolarHBondContact O-CB 3.18Å; R142-A146 PolarHBondContact O-N 3.43Å |
| 143 | N | 79.1 | Confident | 75.7 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.7 | -76 | -5.4 | 0 | 0 | 0 | 111.7 | K139 I140 L145 A146 W147 | K139-N143 WeakPolarHBondContact O-CB 3.2Å; K139-N143 VanDerWaalsContact O-CG 3.3Å; K139-N143 PolarHBondContact O-N 3.2Å; I140-N143 PolarHBondContact O-N 2.94Å; N143-L145 VanDerWaalsContact C-N 3.34Å; N143-L145 PolarHBondContact O-N 2.85Å; N143-A146 PolarHBondContact O-N 3.24Å; N143-W147 WeakPolarHBondContact O-CB 3.29Å; N143-W147 PolarHBondContact O-N 3.35Å |
| 144 | R | 77.6 | Confident | 76.8 | Confident | 110 Ų | 110 | 98.2 Ų | 98.2 | 42% | 0.415 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.5 | -173.3 | 176.4 | -179.2 | 162.4 | 4.2 | 111.3 | F54 D55 I140 Q141 W147 L148 | F54-R144 HydrophobicContact CE1-CB 4.06Å; F54-R144 HydrophobicContact CE1-CG 4.26Å; F54-R144 HydrophobicContact CZ-CB 4.45Å; D55-R144 IonicContact OD1-NH1 3.9Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 PolarHBondContact O-N 2.78Å; Q141-R144 PolarHBondContact O-N 3.47Å; R144-W147 PolarHBondContact O-N 3.07Å; R144-L148 HydrophobicContact CG-CD1 4.11Å; R144-L148 WeakPolarHBondContact O-CB 3.49Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 3.44Å |
| 145 | L | 80.5 | Confident | 77.5 | Confident | 117 Ų | 117 | 94.5 Ų | 94.5 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | 178.6 | -174 | 63.9 | 0 | 0 | 0 | 112 | Q141 R142 N143 W147 T149 | Q141-L145 WeakPolarHBondContact O-CB 3.28Å; Q141-L145 PolarHBondContact O-N 2.81Å; R142-L145 PolarHBondContact O-N 3.49Å; N143-L145 VanDerWaalsContact C-N 3.34Å; N143-L145 PolarHBondContact O-N 2.85Å; L145-W147 VanDerWaalsContact C-N 3.34Å; L145-W147 PolarHBondContact O-N 2.93Å; L145-T149 VanDerWaalsContact O-CB 3.31Å; L145-T149 WeakPolarHBondContact O-CB 3.1Å; L145-T149 PolarHBondContact O-N 3.02Å; L145-T149 PolarHBondContact O-OG1 3.33Å |
| 146 | A | 83.1 | Confident | 78 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R142 N143 T149 G150 | R142-A146 WeakPolarHBondContact O-CB 3.18Å; R142-A146 PolarHBondContact O-N 3.43Å; N143-A146 PolarHBondContact O-N 3.24Å; A146-T149 PolarHBondContact O-N 2.67Å; A146-G150 PolarHBondContact O-N 2.88Å |
| 147 | W | 83.2 | Confident | 78.8 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -47.1 | 178.3 | -175.7 | 80.9 | 0 | 0 | 0 | 112.5 | H50 T51 N143 R144 L145 T149 G150 I151 | H50-W147 HydrophobicContact CB-CH2 4.24Å; H50-W147 HydrophobicContact CB-CZ2 4.49Å; T51-W147 HydrophobicContact CG2-CZ3 4.33Å; N143-W147 WeakPolarHBondContact O-CB 3.29Å; N143-W147 PolarHBondContact O-N 3.35Å; R144-W147 PolarHBondContact O-N 3.07Å; L145-W147 VanDerWaalsContact C-N 3.34Å; L145-W147 PolarHBondContact O-N 2.93Å; W147-T149 VanDerWaalsContact C-N 3.26Å; W147-T149 PolarHBondContact O-N 3.34Å; W147-G150 PolarHBondContact O-N 3.06Å; W147-G150 VanDerWaalsContact O-N 3.12Å; W147-I151 HydrophobicContact CD2-CD1 3.59Å; W147-I151 VanDerWaalsContact CE2-CD1 3.41Å; W147-I151 HydrophobicContact CE3-CD1 3.57Å; W147-I151 HydrophobicContact CH2-CD1 3.24Å; W147-I151 HydrophobicContact CZ2-CD1 3.27Å; W147-I151 HydrophobicContact CZ2-CG1 4.47Å; W147-I151 HydrophobicContact CZ3-CD1 3.38Å; W147-I151 PolarHBondContact O-N 2.95Å |
| 148 | L | 84.2 | Confident | 79 | Confident | 78 Ų | 78 | 98 Ų | 98 | 41% | 0.408 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 174.9 | -72.4 | 173.8 | 0 | 0 | 0 | 111.8 | R144 I151 R152 | R144-L148 HydrophobicContact CG-CD1 4.11Å; R144-L148 WeakPolarHBondContact O-CB 3.49Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 3.44Å; L148-I151 PolarHBondContact O-N 3.37Å; L148-R152 WeakPolarHBondContact O-CB 3.37Å; L148-R152 PolarHBondContact O-N 3.35Å |
| 149 | T | 82.3 | Confident | 78.6 | Confident | 67 Ų | 67 | 102 Ų | 102 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 174.7 | -57 | 0 | 0 | 0 | 0 | 111.2 | L145 A146 W147 I151 R152 M153 | L145-T149 VanDerWaalsContact O-CB 3.31Å; L145-T149 WeakPolarHBondContact O-CB 3.1Å; L145-T149 PolarHBondContact O-N 3.02Å; L145-T149 PolarHBondContact O-OG1 3.33Å; A146-T149 PolarHBondContact O-N 2.67Å; W147-T149 VanDerWaalsContact C-N 3.26Å; W147-T149 PolarHBondContact O-N 3.34Å; T149-I151 PolarHBondContact O-N 2.94Å; T149-R152 PolarHBondContact O-N 3.42Å; T149-M153 WeakPolarHBondContact O-CG 3.38Å; T149-M153 PolarHBondContact O-N 3.39Å |
| 150 | G | 85.3 | Confident | 77.8 | Confident | 39 Ų | 39 | 99.7 Ų | 99.7 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A146 W147 M153 L154 | A146-G150 PolarHBondContact O-N 2.88Å; W147-G150 PolarHBondContact O-N 3.06Å; W147-G150 VanDerWaalsContact O-N 3.12Å; G150-M153 PolarHBondContact O-N 3.49Å; G150-L154 PolarHBondContact O-N 3.47Å |
| 151 | I | 81.3 | Confident | 77.1 | Confident | 37 Ų | 37 | 102.9 Ų | 102.9 | 19% | 0.19 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 174.9 | -71 | 166.5 | 0 | 0 | 0 | 111.2 | L47 W147 L148 T149 M153 L154 L155 | L47-I151 HydrophobicContact CD1-CD1 4.15Å; L47-I151 HydrophobicContact CD1-CG2 4.38Å; W147-I151 HydrophobicContact CD2-CD1 3.59Å; W147-I151 VanDerWaalsContact CE2-CD1 3.41Å; W147-I151 HydrophobicContact CE3-CD1 3.57Å; W147-I151 HydrophobicContact CH2-CD1 3.24Å; W147-I151 HydrophobicContact CZ2-CD1 3.27Å; W147-I151 HydrophobicContact CZ2-CG1 4.47Å; W147-I151 HydrophobicContact CZ3-CD1 3.38Å; W147-I151 PolarHBondContact O-N 2.95Å; L148-I151 PolarHBondContact O-N 3.37Å; T149-I151 PolarHBondContact O-N 2.94Å; I151-M153 VanDerWaalsContact C-N 3.28Å; I151-M153 PolarHBondContact O-N 2.85Å; I151-L154 PolarHBondContact O-N 2.93Å; I151-L154 VanDerWaalsContact O-N 3.16Å; I151-L155 HydrophobicContact CG2-CD1 3.75Å; I151-L155 HydrophobicContact CG2-CG 4.3Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 WeakPolarHBondContact O-CG 3.41Å; I151-L155 PolarHBondContact O-N 3.47Å |
| 152 | R | 83.7 | Confident | 76 | Confident | 185 Ų | 185 | 105.4 Ų | 105.4 | 70% | 0.698 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -42.4 | 176.4 | -179.8 | -178.6 | -80.3 | 177 | -5.3 | 111.2 | L148 T149 L155 Q156 | L148-R152 WeakPolarHBondContact O-CB 3.37Å; L148-R152 PolarHBondContact O-N 3.35Å; T149-R152 PolarHBondContact O-N 3.42Å; R152-L155 PolarHBondContact O-N 2.97Å; R152-Q156 VanDerWaalsContact O-CB 3.27Å; R152-Q156 WeakPolarHBondContact O-CB 3.45Å; R152-Q156 PolarHBondContact O-N 3.48Å |
| 153 | M | 80.8 | Confident | 74.4 | Confident | 124 Ų | 124 | 101 Ų | 101 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 175.7 | -73.5 | -173.8 | 68.6 | 0 | 0 | 112.2 | T149 G150 I151 Q156 K157 | T149-M153 WeakPolarHBondContact O-CG 3.38Å; T149-M153 PolarHBondContact O-N 3.39Å; G150-M153 PolarHBondContact O-N 3.49Å; I151-M153 VanDerWaalsContact C-N 3.28Å; I151-M153 PolarHBondContact O-N 2.85Å; M153-Q156 PolarHBondContact O-N 3.46Å; M153-K157 WeakPolarHBondContact O-CB 3.38Å; M153-K157 PolarHBondContact O-N 2.94Å |
| 154 | L | 79.1 | Confident | 72.7 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 177.4 | -171.5 | 66.7 | 0 | 0 | 0 | 111.5 | G150 I151 Q156 K157 Q158 | G150-L154 PolarHBondContact O-N 3.47Å; I151-L154 PolarHBondContact O-N 2.93Å; I151-L154 VanDerWaalsContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 3.37Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 2.86Å; L154-Q158 WeakPolarHBondContact O-CG 3.39Å; L154-Q158 PolarHBondContact O-N 3.48Å |
| 155 | L | 76.7 | Confident | 70.8 | Confident | 87 Ų | 87 | 101.7 Ų | 101.7 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 174.6 | -76.3 | 167.1 | 0 | 0 | 0 | 111.8 | I151 R152 K157 Q158 K159 | I151-L155 HydrophobicContact CG2-CD1 3.75Å; I151-L155 HydrophobicContact CG2-CG 4.3Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 WeakPolarHBondContact O-CG 3.41Å; I151-L155 PolarHBondContact O-N 3.47Å; R152-L155 PolarHBondContact O-N 2.97Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-Q158 PolarHBondContact O-N 3.33Å; L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 2.95Å |
| 156 | Q | 75 | Confident | 68.9 | Low | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 175 | -169.7 | 171.1 | 16.6 | 0 | 0 | 111.3 | R152 M153 L154 K159 N160 | R152-Q156 VanDerWaalsContact O-CB 3.27Å; R152-Q156 WeakPolarHBondContact O-CB 3.45Å; R152-Q156 PolarHBondContact O-N 3.48Å; M153-Q156 PolarHBondContact O-N 3.46Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 3.37Å; Q156-K159 PolarHBondContact O-N 2.82Å; Q156-N160 WeakPolarHBondContact O-CB 3.21Å; Q156-N160 PolarHBondContact O-N 3.27Å; Q156-N160 PolarHBondContact O-ND2 3.16Å |
| 157 | K | 76.9 | Confident | 66.6 | Low | 124 Ų | 124 | 102.5 Ų | 102.5 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.1 | -42.2 | 173.8 | -170.8 | 179.2 | 179 | -175.5 | 0 | 111.4 | M153 L154 L155 N160 Q161 | M153-K157 WeakPolarHBondContact O-CB 3.38Å; M153-K157 PolarHBondContact O-N 2.94Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 2.86Å; L155-K157 VanDerWaalsContact C-N 3.34Å; K157-N160 PolarHBondContact O-N 3.47Å; K157-Q161 WeakPolarHBondContact O-CB 3.33Å; K157-Q161 WeakPolarHBondContact O-CG 3.36Å; K157-Q161 PolarHBondContact O-N 3.34Å |
| 158 | Q | 68.5 | Low | 64.4 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 44% | 0.435 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.3 | -42.9 | 174.7 | -76.6 | -178.7 | -34.6 | 0 | 0 | 111.9 | L154 L155 N160 Q161 Q162 | L154-Q158 WeakPolarHBondContact O-CG 3.39Å; L154-Q158 PolarHBondContact O-N 3.48Å; L155-Q158 PolarHBondContact O-N 3.33Å; Q158-N160 VanDerWaalsContact C-N 3.3Å; Q158-N160 PolarHBondContact O-N 3.28Å; Q158-Q161 PolarHBondContact O-N 2.85Å; Q158-Q162 PolarHBondContact O-N 2.92Å |
| 159 | K | 68.8 | Low | 62 | Low | 158 Ų | 158 | 106.4 Ų | 106.4 | 69% | 0.687 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.7 | -39.5 | 174.4 | -174.9 | 177.3 | 176.7 | 178.7 | 0 | 111.8 | L155 Q156 Q162 G163 | L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 2.95Å; Q156-K159 PolarHBondContact O-N 2.82Å; K159-Q162 PolarHBondContact O-N 3.4Å; K159-G163 PolarHBondContact O-N 2.85Å |
| 160 | N | 60.8 | Low | 60 | Low | 91 Ų | 91 | 108.1 Ų | 108.1 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.7 | -37.9 | 175.8 | -70.6 | -12 | 0 | 0 | 0 | 111.5 | Q156 K157 Q158 Q162 G163 T164 | Q156-N160 WeakPolarHBondContact O-CB 3.21Å; Q156-N160 PolarHBondContact O-N 3.27Å; Q156-N160 PolarHBondContact O-ND2 3.16Å; K157-N160 PolarHBondContact O-N 3.47Å; Q158-N160 VanDerWaalsContact C-N 3.3Å; Q158-N160 PolarHBondContact O-N 3.28Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.28Å; N160-G163 CarbonylContact O-C 3.28Å; N160-G163 PolarHBondContact O-N 3.46Å; N160-T164 WeakPolarHBondContact O-CG2 3.47Å; N160-T164 PolarHBondContact O-N 3.31Å; N160-T164 PolarHBondContact O-OG1 3.35Å |
| 161 | Q | 57.3 | Low | 57.7 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.7 | -28 | 174.7 | -76.3 | -172.8 | -7.8 | 0 | 0 | 112.9 | K157 Q158 G163 | K157-Q161 WeakPolarHBondContact O-CB 3.33Å; K157-Q161 WeakPolarHBondContact O-CG 3.36Å; K157-Q161 PolarHBondContact O-N 3.34Å; Q158-Q161 PolarHBondContact O-N 2.85Å; Q161-G163 PolarHBondContact O-N 3.05Å |
| 162 | Q | 53.2 | Low | 55.7 | Low | 181 Ų | 181 | 123.4 Ų | 123.4 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -13.5 | 169.2 | -79.3 | 179.2 | -13.7 | 0 | 0 | 113.5 | Q158 K159 N160 | Q158-Q162 PolarHBondContact O-N 2.92Å; K159-Q162 PolarHBondContact O-N 3.4Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.28Å |
| 163 | G | 45.4 | Very low | 53.2 | Low | 59 Ų | 59 | 124.1 Ų | 124.1 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -17.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | K159 N160 Q161 S165 | K159-G163 PolarHBondContact O-N 2.85Å; N160-G163 CarbonylContact O-C 3.28Å; N160-G163 PolarHBondContact O-N 3.46Å; Q161-G163 PolarHBondContact O-N 3.05Å; G163-S165 PolarHBondContact O-N 2.82Å |
| 164 | T | 43 | Very low | 50.9 | Low | 86 Ų | 86 | 121.7 Ų | 121.7 | 53% | 0.528 | 68% | 0.68 | S | S | . | * | trans | -96.6 | 85.5 | 174.5 | 57 | 0 | 0 | 0 | 0 | 108 | N160 A166 | N160-T164 WeakPolarHBondContact O-CG2 3.47Å; N160-T164 PolarHBondContact O-N 3.31Å; N160-T164 PolarHBondContact O-OG1 3.35Å; T164-A166 PolarHBondContact O-N 3.43Å | ||
| 165 | S | 37.6 | Very low | 49.1 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | trans | -46.2 | 97.7 | 142.2 | 28.4 | 0 | 0 | 0 | 0 | 106.3 | G163 S167 | G163-S165 PolarHBondContact O-N 2.82Å; S165-S167 PolarHBondContact O-N 2.99Å | ||
| 166 | A | 40.8 | Very low | 46.9 | Very low | 78 Ų | 78 | 124.6 Ų | 124.6 | 65% | 0.645 | 71% | 0.711 | S | S | * | * | trans | -58.3 | 109 | 178 | 0 | 0 | 0 | 0 | 0 | 106 | T164 I168 | T164-A166 PolarHBondContact O-N 3.43Å; A166-I168 PolarHBondContact O-N 3.46Å | ||
| 167 | S | 35.4 | Very low | 45.2 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -61.3 | 90.6 | 160.5 | 173.7 | 0 | 0 | 0 | 0 | 105.7 | S165 | S165-S167 PolarHBondContact O-N 2.99Š| ||
| 168 | I | 37.1 | Very low | 43.1 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | trans | -62.3 | 127.8 | 165.2 | -60.3 | 172.9 | 0 | 0 | 0 | 105 | A166 A170 | A166-I168 PolarHBondContact O-N 3.46Å; I168-A170 PolarHBondContact O-N 3.22Å | ||
| 169 | P | 34.2 | Very low | 41.9 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -57.9 | 119.3 | 176.8 | 23.4 | -31.4 | 0 | 0 | 0 | 108.3 | K171 | P169-K171 PolarHBondContact O-N 2.78Š| ||
| 170 | A | 39 | Very low | 40.2 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -58.2 | 94.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I168 | I168-A170 PolarHBondContact O-N 3.22Š|
| 171 | K | 38.1 | Very low | 39.2 | Very low | 199 Ų | 199 | 125 Ų | 125 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | -169.9 | 66 | 155.7 | -106.3 | -178.2 | -173.1 | -171.8 | 0 | 108.8 | P169 | P169-K171 PolarHBondContact O-N 2.78Š| ||
| 172 | Q | 38.5 | Very low | 38.4 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -161.9 | 122.6 | 148.1 | -106.9 | 166.5 | 18.8 | 0 | 0 | 107.8 | ||
| 173 | Q | 32 | Very low | 37.5 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | trans | -72.1 | 139.7 | -169.3 | -72.5 | 157.7 | -48.6 | 0 | 0 | 110.9 | ||||
| 174 | G | 31.9 | Very low | 37 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 84.4 | 64 | 132.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 175 | T | 40.4 | Very low | 37 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -142.4 | 100 | 140.8 | 49.5 | 0 | 0 | 0 | 0 | 109 | V177 | T175-V177 PolarHBondContact O-N 2.95Š| ||
| 176 | S | 31.6 | Very low | 36.8 | Very low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -77.7 | 97.2 | 177.6 | 49.3 | 0 | 0 | 0 | 0 | 110 | S178 | S176-S178 PolarHBondContact O-N 2.89Š| ||
| 177 | V | 38.6 | Very low | 36.7 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -87.2 | 101.8 | 165.7 | -176 | 0 | 0 | 0 | 0 | 108.2 | T175 V179 | T175-V177 PolarHBondContact O-N 2.95Å; V177-V179 HydrophobicContact CG1-CG1 4.45Å; V177-V179 PolarHBondContact O-N 3.48Å; V177-V179 VanDerWaalsContact O-N 3.17Å | ||
| 178 | S | 33.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -71.2 | 98.8 | 174 | 165 | 0 | 0 | 0 | 0 | 110 | S176 | S176-S178 PolarHBondContact O-N 2.89Š| ||
| 179 | V | 41.6 | Very low | 36.7 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | trans | -91.6 | 121.9 | 170 | -82.4 | 0 | 0 | 0 | 0 | 111.1 | V177 | V177-V179 HydrophobicContact CG1-CG1 4.45Å; V177-V179 PolarHBondContact O-N 3.48Å; V177-V179 VanDerWaalsContact O-N 3.17Å | ||
| 180 | S | 33.6 | Very low | 36.7 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -63.2 | 132.2 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | K182 | S180-K182 PolarHBondContact O-N 3.18Å; S180-K182 VanDerWaalsContact O-N 3.14Å | ||
| 181 | P | 40.9 | Very low | 36.6 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -71.4 | 109.7 | -176.7 | 27.1 | -32.5 | 0 | 0 | 0 | 111.1 | Q183 | P181-Q183 PolarHBondContact O-N 3.29Š| ||
| 182 | K | 39.3 | Very low | 36.5 | Very low | 211 Ų | 211 | 134.7 Ų | 134.7 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -69.6 | 111 | 165.6 | -87.6 | -178 | 175.7 | 173.9 | 0 | 109.2 | S180 | S180-K182 PolarHBondContact O-N 3.18Å; S180-K182 VanDerWaalsContact O-N 3.14Å | ||
| 183 | Q | 35.9 | Very low | 36.5 | Very low | 198 Ų | 198 | 135 Ų | 135 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -47.7 | 137.7 | 173.5 | -65.5 | 175.1 | -23.2 | 0 | 0 | 112.3 | P181 | P181-Q183 PolarHBondContact O-N 3.29Š|
| 184 | G | 34.5 | Very low | 36.5 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 128.8 | 40.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 185 | T | 42.9 | Very low | 36.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -128.3 | 99.5 | 161.1 | 41.3 | 0 | 0 | 0 | 0 | 109.4 | V187 | T185-V187 PolarHBondContact O-N 3.37Š| ||
| 186 | S | 33.2 | Very low | 36.2 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -68.2 | 99.9 | 167 | 66.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 187 | V | 37.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | trans | -92.4 | 112 | 168.6 | -179 | 0 | 0 | 0 | 0 | 106.8 | T185 V189 | T185-V187 PolarHBondContact O-N 3.37Å; V187-V189 WeakPolarHBondContact O-CG2 3.16Å; V187-V189 PolarHBondContact O-N 2.87Å; V187-V189 VanDerWaalsContact O-N 3.12Å | ||
| 188 | T | 35.6 | Very low | 36 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -64.5 | 106.2 | 170 | -55.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 189 | V | 37.6 | Very low | 36 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 130.5 | 179.3 | -168.7 | 0 | 0 | 0 | 0 | 109.3 | V187 | V187-V189 WeakPolarHBondContact O-CG2 3.16Å; V187-V189 PolarHBondContact O-N 2.87Å; V187-V189 VanDerWaalsContact O-N 3.12Å | ||
| 190 | P | 33.6 | Very low | 35.9 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -71.5 | 141.5 | 177.5 | 28.8 | -32.5 | 0 | 0 | 0 | 111.6 | K192 | P190-K192 PolarHBondContact O-N 3.26Š| ||
| 191 | A | 38.2 | Very low | 35.9 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -65.6 | 98.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 192 | K | 36.3 | Very low | 35.8 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 175.4 | 68.9 | 149.6 | -105.4 | 175.6 | 176.5 | -179.9 | 0 | 111.9 | P190 | P190-K192 PolarHBondContact O-N 3.26Š| ||
| 193 | Q | 37.5 | Very low | 35.6 | Very low | 204 Ų | 204 | 140 Ų | 140 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -141.5 | 100.4 | 149.1 | -80.1 | -162.7 | -32.6 | 0 | 0 | 109 | ||||
| 194 | R | 31.3 | Very low | 35.4 | Very low | 260 Ų | 260 | 136.8 Ų | 136.8 | 98% | 0.981 | 81% | 0.806 | S | S | * | * | trans | -88.2 | 121.1 | 174.6 | -155.7 | -175.8 | -166.7 | -168.7 | 3.4 | 105.7 | ||||
| 195 | G | 30.5 | Very low | 35.5 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 112.4 | 72.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 196 | A | 35.3 | Very low | 34.9 | Very low | 74 Ų | 74 | 141.7 Ų | 141.7 | 61% | 0.612 | 81% | 0.813 | S | S | * | * | trans | -160.5 | 88 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | F198 | A196-F198 HydrophobicContact CB-CD2 4.22Å; A196-F198 HydrophobicContact CB-CE2 3.75Å; A196-F198 PolarHBondContact O-N 3.2Å | ||
| 197 | S | 32.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -71.4 | 104.6 | 170.3 | 37.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 198 | F | 35.4 | Very low | 34.5 | Very low | 180 Ų | 180 | 143 Ų | 143 | 79% | 0.789 | 81% | 0.811 | S | S | * | * | trans | -97.6 | 110.2 | 164.8 | -69.6 | -78.8 | 0 | 0 | 0 | 108.7 | A196 | A196-F198 HydrophobicContact CB-CD2 4.22Å; A196-F198 HydrophobicContact CB-CE2 3.75Å; A196-F198 PolarHBondContact O-N 3.2Å | ||
| 199 | S | 32.2 | Very low | 34.3 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -75.9 | 116.5 | 168.5 | 168.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 200 | V | 39.5 | Very low | 34.1 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -109.5 | 116.2 | 171.9 | -166.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 201 | S | 33.4 | Very low | 34.2 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -65.6 | 132.4 | 179.7 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | R203 | S201-R203 PolarHBondContact O-N 2.87Š| ||
| 202 | P | 39.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -75.4 | 106.5 | 179.2 | 29.1 | -31.7 | 0 | 0 | 0 | 110.1 | T204 | P202-T204 PolarHBondContact O-N 3.37Š| ||
| 203 | R | 34.3 | Very low | 34.7 | Very low | 251 Ų | 251 | 141.3 Ų | 141.3 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -81 | 96.7 | 169.3 | -150.8 | 175.8 | -174.7 | -134.3 | 2.2 | 108.5 | S201 S205 | S201-R203 PolarHBondContact O-N 2.87Å; R203-S205 PolarHBondContact O-N 3.18Å | ||
| 204 | T | 33.4 | Very low | 35 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -63.5 | 112.4 | 166.1 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | P202 | P202-T204 PolarHBondContact O-N 3.37Š| ||
| 205 | S | 36.8 | Very low | 35.4 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -138.2 | 119.8 | 149.4 | -131.3 | 0 | 0 | 0 | 0 | 109.2 | R203 | R203-S205 PolarHBondContact O-N 3.18Š| ||
| 206 | Q | 30.4 | Very low | 35.9 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -63.2 | 143.4 | -177 | -90.5 | -177.4 | -9 | 0 | 0 | 112.4 | ||||
| 207 | N | 29.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 71.1 | 118.8 | 127.4 | -147.6 | -7.1 | 0 | 0 | 0 | 117.3 | |||||
| 208 | V | 32.1 | Very low | 36.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | 173.4 | 121.3 | 105.8 | 164.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 209 | A | 32.2 | Very low | 36.8 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | trans | 65.1 | 111.4 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 210 | N | 33.5 | Very low | 37.3 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | 60.3 | 81.4 | 120.3 | -64.5 | -13.7 | 0 | 0 | 0 | 118.9 | |||||
| 211 | G | 34.4 | Very low | 37.7 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -133.5 | 91.3 | 151 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | K | 37.9 | Very low | 38 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -55.6 | 127.3 | 172.7 | -74.3 | 176.9 | 178.6 | 179 | 0 | 108.9 | I214 | K212-I214 PolarHBondContact O-N 2.98Å; K212-I214 VanDerWaalsContact O-N 3.08Å | ||
| 213 | P | 46.6 | Very low | 38 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -66.2 | 112.6 | 174.8 | 25.4 | -31.1 | 0 | 0 | 0 | 108.8 | G215 | P213-G215 PolarHBondContact O-N 3.23Š| ||
| 214 | I | 43.7 | Very low | 38.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -60.4 | 118.3 | 174.5 | -69 | 169.1 | 0 | 0 | 0 | 107.5 | K212 | K212-I214 PolarHBondContact O-N 2.98Å; K212-I214 VanDerWaalsContact O-N 3.08Å | ||
| 215 | G | 41 | Very low | 38.8 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -51.5 | 138.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P213 A217 | P213-G215 PolarHBondContact O-N 3.23Å; G215-A217 PolarHBondContact O-N 2.98Å | ||
| 216 | T | 41.4 | Very low | 39.3 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -55 | 104.9 | 168 | 41.2 | 0 | 0 | 0 | 0 | 109.7 | K218 | T216-K218 VanDerWaalsContact C-N 3.32Å; T216-K218 PolarHBondContact O-N 3.43Å | ||
| 217 | A | 37.9 | Very low | 40.4 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -66.3 | 94.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G215 L219 | G215-A217 PolarHBondContact O-N 2.98Å; A217-L219 PolarHBondContact O-N 3.44Å | ||
| 218 | K | 40.7 | Very low | 41.5 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -61.4 | 98.5 | 164.1 | -75.2 | -179.7 | 175.6 | 178 | 0 | 107.6 | T216 S220 | T216-K218 VanDerWaalsContact C-N 3.32Å; T216-K218 PolarHBondContact O-N 3.43Å; K218-S220 VanDerWaalsContact C-N 3.29Å; K218-S220 PolarHBondContact O-N 2.95Å | ||
| 219 | L | 42.9 | Very low | 42.6 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -65 | 94.8 | 166.6 | -79.9 | 160.5 | 0 | 0 | 0 | 107.8 | A217 L221 | A217-L219 PolarHBondContact O-N 3.44Å; L219-L221 PolarHBondContact O-N 3.49Å | ||
| 220 | S | 42.5 | Very low | 43.7 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -60 | 97.9 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | K218 R222 | K218-S220 VanDerWaalsContact C-N 3.29Å; K218-S220 PolarHBondContact O-N 2.95Å; S220-R222 PolarHBondContact O-N 3.34Å | ||
| 221 | L | 47.3 | Very low | 45 | Very low | 163 Ų | 163 | 142 Ų | 142 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 103.9 | 171.9 | -165.1 | 71.4 | 0 | 0 | 0 | 107.7 | L219 Q223 | L219-L221 PolarHBondContact O-N 3.49Å; L221-Q223 PolarHBondContact O-N 2.96Å | ||
| 222 | R | 40.4 | Very low | 46.1 | Very low | 233 Ų | 233 | 145.6 Ų | 145.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -57.5 | 107 | 174.7 | -82.6 | 178.5 | 148.3 | -143.7 | -4.5 | 108.9 | S220 G224 | S220-R222 PolarHBondContact O-N 3.34Å; R222-G224 PolarHBondContact O-N 3.31Å | ||
| 223 | Q | 38.6 | Very low | 46.7 | Very low | 206 Ų | 206 | 140.5 Ų | 140.5 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | trans | -59.3 | 102.7 | 162.6 | -77.5 | 176.2 | -30.3 | 0 | 0 | 108.2 | L221 | L221-Q223 PolarHBondContact O-N 2.96Š| ||
| 224 | G | 36.7 | Very low | 47 | Very low | 60 Ų | 60 | 139.7 Ų | 139.7 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | trans | -136.5 | 115.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R222 | R222-G224 PolarHBondContact O-N 3.31Š| ||
| 225 | S | 47.6 | Very low | 47.6 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 78.9 | 112.8 | 170.2 | 91.1 | 0 | 0 | 0 | 0 | 116.6 | Q227 | S225-Q227 PolarHBondContact O-N 3Å; S225-Q227 VanDerWaalsContact O-N 3.08Å | ||
| 226 | K | 47.9 | Very low | 48.7 | Very low | 215 Ų | 215 | 139 Ų | 139 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | -65.8 | 94.4 | 173.9 | -59.7 | 170.1 | 177.5 | -178.7 | 0 | 108.7 | ||||
| 227 | Q | 54.6 | Low | 49.7 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -115.5 | 110.1 | 155.2 | -91.9 | 178 | -16.2 | 0 | 0 | 107.7 | S225 I229 | S225-Q227 PolarHBondContact O-N 3Å; S225-Q227 VanDerWaalsContact O-N 3.08Å; Q227-I229 PolarHBondContact O-N 3.37Å | ||
| 228 | N | 51.8 | Low | 51.3 | Low | 163 Ų | 163 | 150 Ų | 150 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -67.8 | 73.3 | -179.5 | -162.5 | -14.4 | 0 | 0 | 0 | 108.7 | P230 | N228-P230 WeakPolarHBondContact O-CD 3.35Š| ||
| 229 | I | 54.3 | Low | 52.9 | Low | 131 Ų | 131 | 146.5 Ų | 146.5 | 67% | 0.672 | 78% | 0.784 | S | S | * | * | trans | -82.8 | 111.9 | 171.6 | -57.4 | 170.2 | 0 | 0 | 0 | 105.2 | Q227 | Q227-I229 PolarHBondContact O-N 3.37Š| ||
| 230 | P | 55.2 | Low | 54.4 | Low | 93 Ų | 93 | 141.9 Ų | 141.9 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | trans | -58.7 | 138.5 | 174.5 | 25.6 | -33 | 0 | 0 | 0 | 108.2 | N228 I232 | N228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-I232 PolarHBondContact O-N 3.08Å | ||
| 231 | P | 62.4 | Low | 56.5 | Low | 125 Ų | 125 | 139.2 Ų | 139.2 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -55.5 | 118.3 | 178.6 | 23.4 | -32.6 | 0 | 0 | 0 | 108.4 | A233 | P231-A233 PolarHBondContact O-N 2.71Š| ||
| 232 | I | 55.9 | Low | 58.3 | Low | 146 Ų | 146 | 136.5 Ų | 136.5 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -59.6 | 109.3 | 171 | -66.5 | 170.6 | 0 | 0 | 0 | 105.4 | P230 T234 | P230-I232 PolarHBondContact O-N 3.08Å; I232-T234 PolarHBondContact O-N 3.36Å | ||
| 233 | A | 50.7 | Low | 60.5 | Low | 90 Ų | 90 | 130.6 Ų | 130.6 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | trans | -61.8 | 92.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | P231 P235 | P231-A233 PolarHBondContact O-N 2.71Å; A233-P235 WeakPolarHBondContact O-CD 3.34Å; A233-P235 VanDerWaalsContact O-N 3.17Å | ||
| 234 | T | 52.6 | Low | 62.9 | Low | 110 Ų | 110 | 126 Ų | 126 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | trans | -55 | 120.4 | 165.5 | 27.3 | 0 | 0 | 0 | 0 | 106.8 | I232 | I232-T234 PolarHBondContact O-N 3.36Š| ||
| 235 | P | 56.6 | Low | 65.2 | Low | 97 Ų | 97 | 128.8 Ų | 128.8 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | trans | -58.5 | 137.8 | -178 | 22.8 | -32.2 | 0 | 0 | 0 | 108.9 | A233 W237 | A233-P235 WeakPolarHBondContact O-CD 3.34Å; A233-P235 VanDerWaalsContact O-N 3.17Å; P235-W237 PolarHBondContact O-N 2.99Å | ||
| 236 | P | 65.1 | Low | 67.2 | Low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -61.1 | 115.3 | 178.3 | 25.1 | -32.5 | 0 | 0 | 0 | 108 | R238 | P236-R238 VanDerWaalsContact C-N 3.27Å; P236-R238 PolarHBondContact O-N 3.27Å | ||
| 237 | W | 61.5 | Low | 69.1 | Low | 235 Ų | 235 | 127.4 Ų | 127.4 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | trans | -61.5 | 91.5 | 172.7 | -64.3 | 88.6 | 0 | 0 | 0 | 107.9 | P235 P239 | P235-W237 PolarHBondContact O-N 2.99Å; W237-P239 WeakPolarHBondContact O-CD 3.23Å | ||
| 238 | R | 72.2 | Confident | 70.5 | Confident | 222 Ų | 222 | 124.3 Ų | 124.3 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -72 | 120.2 | 164.8 | -79.9 | -169.7 | 179.7 | -136 | 0.6 | 106.7 | P236 V240 | P236-R238 VanDerWaalsContact C-N 3.27Å; P236-R238 PolarHBondContact O-N 3.27Å; R238-V240 PolarHBondContact O-N 3.14Å; R238-V240 VanDerWaalsContact O-N 3.09Å |
| 239 | P | 73.5 | Confident | 72.1 | Confident | 123 Ų | 123 | 121.3 Ų | 121.3 | 80% | 0.799 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.3 | 170.3 | 23 | -30.1 | 0 | 0 | 0 | 107.8 | W237 S241 | W237-P239 WeakPolarHBondContact O-CD 3.23Å; P239-S241 PolarHBondContact O-N 2.69Å |
| 240 | V | 76 | Confident | 73.6 | Confident | 71 Ų | 71 | 120.9 Ų | 120.9 | 43% | 0.43 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 118.3 | 179.3 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | R238 E244 Q245 | R238-V240 PolarHBondContact O-N 3.14Å; R238-V240 VanDerWaalsContact O-N 3.09Å; V240-E244 HydrophobicContact CG1-CB 3.73Å; V240-E244 HydrophobicContact CG1-CG 3.81Å; V240-Q245 HydrophobicContact CB-CG 4.11Å; V240-Q245 HydrophobicContact CG1-CG 3.63Å; V240-Q245 PolarHBondContact O-NE2 3.34Å |
| 241 | S | 85.8 | Confident | 74.7 | Confident | 54 Ų | 54 | 121.2 Ų | 121.2 | 38% | 0.378 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 148.9 | 178.8 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | P239 T243 E244 Q245 | P239-S241 PolarHBondContact O-N 2.69Å; S241-T243 PolarHBondContact O-N 3Å; S241-T243 VanDerWaalsContact O-N 3.14Å; S241-E244 PolarHBondContact O-N 2.75Å; S241-E244 WeakPolarHBondContact OG-CB 3.46Å; S241-E244 PolarHBondContact OG-N 3.49Å; S241-Q245 PolarHBondContact O-N 3.2Å; S241-Q245 VanDerWaalsContact O-N 3.09Å |
| 242 | P | 85.9 | Confident | 75.6 | Confident | 106 Ų | 106 | 123.2 Ų | 123.2 | 69% | 0.688 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -52.9 | -37.3 | 179 | -27.5 | 34.9 | 0 | 0 | 0 | 113.2 | E244 Q245 Q246 | P242-E244 PolarHBondContact O-N 3.02Å; P242-Q245 PolarHBondContact O-N 2.96Å; P242-Q246 PolarHBondContact O-N 3.09Å; P242-Q246 VanDerWaalsContact O-N 3.1Å |
| 243 | T | 86.5 | Confident | 76.6 | Confident | 109 Ų | 109 | 126.4 Ų | 126.4 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.5 | -40.5 | 177 | -45.8 | 0 | 0 | 0 | 0 | 112.2 | S241 Q246 R247 | S241-T243 PolarHBondContact O-N 3Å; S241-T243 VanDerWaalsContact O-N 3.14Å; T243-Q246 PolarHBondContact O-N 2.95Å; T243-R247 PolarHBondContact O-N 3.35Å |
| 244 | E | 88.2 | Confident | 77.3 | Confident | 108 Ų | 108 | 125.4 Ų | 125.4 | 51% | 0.505 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.9 | -35.2 | 179.5 | -169.2 | 174 | -166.5 | 0 | 0 | 111.7 | V240 S241 P242 Q246 R247 L248 | V240-E244 HydrophobicContact CG1-CB 3.73Å; V240-E244 HydrophobicContact CG1-CG 3.81Å; S241-E244 PolarHBondContact O-N 2.75Å; S241-E244 WeakPolarHBondContact OG-CB 3.46Å; S241-E244 PolarHBondContact OG-N 3.49Å; P242-E244 PolarHBondContact O-N 3.02Å; E244-Q246 VanDerWaalsContact C-N 3.34Å; E244-Q246 PolarHBondContact O-N 2.84Å; E244-R247 PolarHBondContact O-N 3.35Å; E244-L248 WeakPolarHBondContact O-CB 3.33Å; E244-L248 PolarHBondContact O-N 2.88Å |
| 245 | Q | 85.9 | Confident | 77.6 | Confident | 119 Ų | 119 | 123.3 Ų | 123.3 | 56% | 0.556 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -42.2 | 172 | -64.1 | -173.6 | 13.3 | 0 | 0 | 111.7 | V240 S241 P242 L248 L249 | V240-Q245 HydrophobicContact CB-CG 4.11Å; V240-Q245 HydrophobicContact CG1-CG 3.63Å; V240-Q245 PolarHBondContact O-NE2 3.34Å; S241-Q245 PolarHBondContact O-N 3.2Å; S241-Q245 VanDerWaalsContact O-N 3.09Å; P242-Q245 PolarHBondContact O-N 2.96Å; Q245-L248 PolarHBondContact O-N 3.42Å; Q245-L249 WeakPolarHBondContact O-CB 3.28Å; Q245-L249 PolarHBondContact O-N 3.22Å |
| 246 | Q | 88.5 | Confident | 77.4 | Confident | 125 Ų | 125 | 123.5 Ų | 123.5 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 178.2 | -161.1 | 172.2 | 24.4 | 0 | 0 | 111.6 | P242 T243 E244 L249 Q250 | P242-Q246 PolarHBondContact O-N 3.09Å; P242-Q246 VanDerWaalsContact O-N 3.1Å; T243-Q246 PolarHBondContact O-N 2.95Å; E244-Q246 VanDerWaalsContact C-N 3.34Å; E244-Q246 PolarHBondContact O-N 2.84Å; Q246-L249 PolarHBondContact O-N 2.94Å; Q246-Q250 WeakPolarHBondContact O-CG 2.99Å; Q246-Q250 PolarHBondContact O-N 3.47Å |
| 247 | R | 87.6 | Confident | 76.8 | Confident | 173 Ų | 173 | 125.5 Ų | 125.5 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.5 | -41.8 | 173.6 | -171.3 | 177.3 | 172.8 | 165 | -0.9 | 111.9 | T243 E244 L249 Q250 Q251 | T243-R247 PolarHBondContact O-N 3.35Å; E244-R247 PolarHBondContact O-N 3.35Å; R247-L249 VanDerWaalsContact C-N 3.33Å; R247-L249 PolarHBondContact O-N 2.92Å; R247-Q250 PolarHBondContact O-N 2.79Å; R247-Q251 PolarHBondContact O-N 3.08Å |
| 248 | L | 84.1 | Confident | 76 | Confident | 94 Ų | 94 | 118.8 Ų | 118.8 | 49% | 0.492 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.7 | -37.1 | 177.2 | -142.6 | 79.5 | 0 | 0 | 0 | 111.9 | E244 Q245 Q251 K252 | E244-L248 WeakPolarHBondContact O-CB 3.33Å; E244-L248 PolarHBondContact O-N 2.88Å; Q245-L248 PolarHBondContact O-N 3.42Å; L248-Q251 PolarHBondContact O-N 3.29Å; L248-K252 WeakPolarHBondContact O-CG 3.06Å; L248-K252 PolarHBondContact O-N 2.66Å |
| 249 | L | 86.6 | Confident | 75 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.6 | -39.1 | 176.4 | -167.2 | 67.1 | 0 | 0 | 0 | 111.7 | Q245 Q246 R247 K252 R253 | Q245-L249 WeakPolarHBondContact O-CB 3.28Å; Q245-L249 PolarHBondContact O-N 3.22Å; Q246-L249 PolarHBondContact O-N 2.94Å; R247-L249 VanDerWaalsContact C-N 3.33Å; R247-L249 PolarHBondContact O-N 2.92Å; L249-K252 PolarHBondContact O-N 3.17Å; L249-R253 WeakPolarHBondContact O-CG 3.47Å; L249-R253 PolarHBondContact O-N 2.81Å; L249-R253 VanDerWaalsContact O-N 3.08Å |
| 250 | Q | 84.9 | Confident | 73.7 | Confident | 122 Ų | 122 | 113.7 Ų | 113.7 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.1 | -41.2 | 173.2 | -72.5 | -175.3 | 47.6 | 0 | 0 | 111.9 | Q246 R247 K252 R253 S254 | Q246-Q250 WeakPolarHBondContact O-CG 2.99Å; Q246-Q250 PolarHBondContact O-N 3.47Å; R247-Q250 PolarHBondContact O-N 2.79Å; Q250-K252 VanDerWaalsContact C-N 3.34Å; Q250-K252 PolarHBondContact O-N 3.23Å; Q250-R253 PolarHBondContact O-N 3.18Å; Q250-R253 VanDerWaalsContact O-N 3.15Å; Q250-S254 PolarHBondContact O-N 3.41Å; Q250-S254 PolarHBondContact O-OG 3.04Å |
| 251 | Q | 79.2 | Confident | 71.8 | Confident | 99 Ų | 99 | 113.6 Ų | 113.6 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.1 | -38.8 | 174 | -79.7 | -176.1 | -19.8 | 0 | 0 | 112.8 | R247 L248 R253 S254 | R247-Q251 PolarHBondContact O-N 3.08Å; L248-Q251 PolarHBondContact O-N 3.29Å; Q251-R253 VanDerWaalsContact C-N 3.29Å; Q251-R253 PolarHBondContact O-N 3.01Å; Q251-S254 PolarHBondContact O-OG 3.18Å |
| 252 | K | 79.5 | Confident | 69.6 | Low | 167 Ų | 167 | 122.7 Ų | 122.7 | 73% | 0.726 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.3 | -33.9 | 174.4 | -77.4 | -175.9 | 176.3 | -174.4 | 0 | 112.5 | L248 L249 Q250 | L248-K252 WeakPolarHBondContact O-CG 3.06Å; L248-K252 PolarHBondContact O-N 2.66Å; L249-K252 PolarHBondContact O-N 3.17Å; Q250-K252 VanDerWaalsContact C-N 3.34Å; Q250-K252 PolarHBondContact O-N 3.23Å |
| 253 | R | 77.3 | Confident | 67.4 | Low | 214 Ų | 214 | 127.2 Ų | 127.2 | 81% | 0.808 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77 | -35.4 | 178.9 | -79.3 | -176.8 | 157.5 | -170 | -5.5 | 113.1 | L249 Q250 Q251 G255 | L249-R253 WeakPolarHBondContact O-CG 3.47Å; L249-R253 PolarHBondContact O-N 2.81Å; L249-R253 VanDerWaalsContact O-N 3.08Å; Q250-R253 PolarHBondContact O-N 3.18Å; Q250-R253 VanDerWaalsContact O-N 3.15Å; Q251-R253 VanDerWaalsContact C-N 3.29Å; Q251-R253 PolarHBondContact O-N 3.01Å; R253-G255 VanDerWaalsContact C-N 3.26Å; R253-G255 PolarHBondContact O-N 3.04Å |
| 254 | S | 66.7 | Low | 65.6 | Low | 69 Ų | 69 | 127.1 Ų | 127.1 | 48% | 0.483 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -74.7 | -16 | -176.2 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | Q250 Q251 V256 | Q250-S254 PolarHBondContact O-N 3.41Å; Q250-S254 PolarHBondContact O-OG 3.04Å; Q251-S254 PolarHBondContact O-OG 3.18Å; S254-V256 WeakPolarHBondContact O-CG2 3.45Å; S254-V256 PolarHBondContact O-N 2.91Å |
| 255 | G | 57.8 | Low | 63.6 | Low | 66 Ų | 66 | 131.2 Ų | 131.2 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | trans | 61.3 | -4.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R253 L257 | R253-G255 VanDerWaalsContact C-N 3.26Å; R253-G255 PolarHBondContact O-N 3.04Å; G255-L257 PolarHBondContact O-N 2.82Å | ||
| 256 | V | 52.2 | Low | 61.9 | Low | 100 Ų | 100 | 133.2 Ų | 133.2 | 61% | 0.606 | 70% | 0.698 | S | S | * | * | trans | -87.6 | 92.7 | 176.7 | -164.9 | 0 | 0 | 0 | 0 | 105.9 | S254 S258 | S254-V256 WeakPolarHBondContact O-CG2 3.45Å; S254-V256 PolarHBondContact O-N 2.91Å; V256-S258 PolarHBondContact O-N 2.73Å | ||
| 257 | L | 52.2 | Low | 59.6 | Low | 159 Ų | 159 | 137.2 Ų | 137.2 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -57.2 | 82.5 | 157.2 | -75 | 154.3 | 0 | 0 | 0 | 107.1 | G255 T259 | G255-L257 PolarHBondContact O-N 2.82Å; L257-T259 PolarHBondContact O-N 3.36Å | ||
| 258 | S | 45.6 | Very low | 57.4 | Low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | trans | -69.2 | 88.7 | 171.2 | -165.6 | 0 | 0 | 0 | 0 | 106.3 | V256 S260 | V256-S258 PolarHBondContact O-N 2.73Å; S258-S260 PolarHBondContact O-N 3.35Å | ||
| 259 | T | 51.3 | Low | 56 | Low | 131 Ų | 131 | 133.7 Ų | 133.7 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 71.7 | 166.4 | 45.4 | 0 | 0 | 0 | 0 | 106.8 | L257 G261 | L257-T259 PolarHBondContact O-N 3.36Å; T259-G261 PolarHBondContact O-N 2.91Å | ||
| 260 | S | 45.1 | Very low | 54.3 | Low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -67.9 | 108.5 | 171.6 | 73 | 0 | 0 | 0 | 0 | 108.1 | S258 | S258-S260 PolarHBondContact O-N 3.35Š| ||
| 261 | G | 37.2 | Very low | 52.8 | Low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 86.4 | 78.7 | 142 | 0 | 0 | 0 | 0 | 0 | 116.3 | T259 | T259-G261 PolarHBondContact O-N 2.91Š| ||
| 262 | R | 39 | Very low | 51.4 | Low | 245 Ų | 245 | 138.5 Ų | 138.5 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -146.5 | 95.7 | 133 | -120.6 | 178.5 | -178.5 | -142.1 | 0.3 | 109.5 | S264 | R262-S264 PolarHBondContact O-N 3.15Š| ||
| 263 | Q | 39.5 | Very low | 50 | Low | 201 Ų | 201 | 135.3 Ų | 135.3 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -61.1 | 110.2 | 160.5 | -67.8 | 179.4 | -19.3 | 0 | 0 | 107.3 | ||||
| 264 | S | 50.1 | Low | 49 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -132.8 | 100.5 | 155.8 | 68.6 | 0 | 0 | 0 | 0 | 108.1 | R262 N266 | R262-S264 PolarHBondContact O-N 3.15Å; S264-N266 PolarHBondContact O-N 3.45Å | ||
| 265 | K | 45.5 | Very low | 48.2 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -47 | 125.2 | 158.1 | -71.8 | 171.8 | 174.5 | 176.4 | 0 | 108 | ||||
| 266 | N | 50.1 | Low | 48 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | 168.6 | 92.8 | 140.6 | -80.5 | -17.6 | 0 | 0 | 0 | 107.8 | S264 G268 | S264-N266 PolarHBondContact O-N 3.45Å; N266-G268 PolarHBondContact O-N 3.21Å | ||
| 267 | Q | 40.7 | Very low | 48 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 98% | 0.977 | 81% | 0.811 | S | S | * | * | trans | -66.1 | 108.3 | 159.9 | -71.5 | 179.5 | 1.8 | 0 | 0 | 107.2 | ||||
| 268 | G | 40.7 | Very low | 48.4 | Very low | 61 Ų | 61 | 150.1 Ų | 150.1 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | trans | -115.1 | 128.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | N266 S270 | N266-G268 PolarHBondContact O-N 3.21Å; G268-S270 PolarHBondContact O-N 3.37Å | ||
| 269 | P | 54 | Low | 49.1 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 117.9 | -178.4 | 26.1 | -32.1 | 0 | 0 | 0 | 110 | ||
| 270 | S | 51.8 | Low | 49.8 | Very low | 113 Ų | 113 | 156.3 Ų | 156.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75 | 130.1 | 174.8 | 63.8 | 0 | 0 | 0 | 0 | 109.9 | G268 Q272 | G268-S270 PolarHBondContact O-N 3.37Å; S270-Q272 PolarHBondContact O-N 3.34Å |
| 271 | P | 53.5 | Low | 50.5 | Low | 122 Ų | 122 | 158.7 Ų | 158.7 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 127.3 | -175.2 | 25.2 | -31.8 | 0 | 0 | 0 | 111.5 | S273 | P271-S273 PolarHBondContact O-N 3.46Å; P271-S273 VanDerWaalsContact O-N 3.12Å |
| 272 | Q | 49.4 | Very low | 51.6 | Low | 189 Ų | 189 | 161 Ų | 161 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -36.5 | 108.6 | 166.8 | -124.6 | 174.3 | -40.7 | 0 | 0 | 111.6 | S270 K274 | S270-Q272 PolarHBondContact O-N 3.34Å; Q272-K274 PolarHBondContact O-N 3.2Å; Q272-K274 VanDerWaalsContact O-N 3.07Å | ||
| 273 | S | 50.6 | Low | 52.3 | Low | 99 Ų | 99 | 155.8 Ų | 155.8 | 69% | 0.692 | 83% | 0.828 | S | S | * | * | trans | -68.8 | 108.3 | 171.7 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | P271 L275 | P271-S273 PolarHBondContact O-N 3.46Å; P271-S273 VanDerWaalsContact O-N 3.12Å; S273-L275 PolarHBondContact O-N 3.25Å | ||
| 274 | K | 55.5 | Low | 53 | Low | 209 Ų | 209 | 152.7 Ų | 152.7 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -65.1 | 84.2 | 169.8 | -70.7 | 174.8 | 179.3 | 175.3 | 0 | 108.6 | Q272 G276 | Q272-K274 PolarHBondContact O-N 3.2Å; Q272-K274 VanDerWaalsContact O-N 3.07Å; K274-G276 PolarHBondContact O-N 2.65Å | ||
| 275 | L | 51 | Low | 52.8 | Low | 157 Ų | 157 | 154 Ų | 154 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -63.1 | 103.5 | 168.7 | -87.1 | 155.4 | 0 | 0 | 0 | 108.3 | S273 R277 | S273-L275 PolarHBondContact O-N 3.25Å; L275-R277 PolarHBondContact O-N 3.28Å | ||
| 276 | G | 53.5 | Low | 52.7 | Low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -52.5 | 111.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K274 R278 | K274-G276 PolarHBondContact O-N 2.65Å; G276-R278 PolarHBondContact O-N 3.03Å | ||
| 277 | R | 51.7 | Low | 52.3 | Low | 244 Ų | 244 | 149.7 Ų | 149.7 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -54.4 | 103.3 | 174.8 | -153.7 | 178.1 | -161.9 | -158.2 | 4.8 | 108 | L275 R279 | L275-R277 PolarHBondContact O-N 3.28Å; R277-R279 PolarHBondContact O-N 3.22Å; R277-R279 VanDerWaalsContact O-N 3.08Å | ||
| 278 | R | 60.7 | Low | 52.4 | Low | 243 Ų | 243 | 147.8 Ų | 147.8 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -56.6 | 116.5 | 175.1 | -77.8 | -178.1 | 143.9 | -142.5 | -4.1 | 108.2 | G276 S280 | G276-R278 PolarHBondContact O-N 3.03Å; R278-S280 PolarHBondContact O-N 3.44Å; R278-S280 VanDerWaalsContact O-N 3.14Å | ||
| 279 | R | 60.7 | Low | 52.6 | Low | 242 Ų | 242 | 154.6 Ų | 154.6 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -55.3 | 113.8 | 173.2 | -68.4 | 173.3 | 127.9 | -171.5 | -3.7 | 108.1 | R277 | R277-R279 PolarHBondContact O-N 3.22Å; R277-R279 VanDerWaalsContact O-N 3.08Å | ||
| 280 | S | 66.2 | Low | 52.3 | Low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.4 | 167.8 | 47 | 0 | 0 | 0 | 0 | 108.7 | R278 | R278-S280 PolarHBondContact O-N 3.44Å; R278-S280 VanDerWaalsContact O-N 3.14Å |
| 281 | L | 58.8 | Low | 52.1 | Low | 157 Ų | 157 | 156 Ų | 156 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140 | 176 | -68.3 | 166 | 0 | 0 | 0 | 109.7 | T283 | L281-T283 PolarHBondContact O-N 3.24Å; L281-T283 VanDerWaalsContact O-N 3.16Å |
| 282 | P | 59.5 | Low | 51.6 | Low | 117 Ų | 117 | 153.7 Ų | 153.7 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 116.3 | 176.6 | 26 | -32 | 0 | 0 | 0 | 109.4 | V284 | P282-V284 PolarHBondContact O-N 3.34Š|
| 283 | T | 55.6 | Low | 51.4 | Low | 137 Ų | 137 | 154.5 Ų | 154.5 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 120 | 166.5 | -50.9 | 0 | 0 | 0 | 0 | 107.4 | L281 L285 | L281-T283 PolarHBondContact O-N 3.24Å; L281-T283 VanDerWaalsContact O-N 3.16Å; T283-L285 PolarHBondContact O-N 2.75Å; T283-L285 VanDerWaalsContact O-N 3.17Å |
| 284 | V | 54.2 | Low | 51 | Low | 135 Ų | 135 | 153 Ų | 153 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 120.8 | 176.5 | 169.1 | 0 | 0 | 0 | 0 | 109 | P282 G286 | P282-V284 PolarHBondContact O-N 3.34Å; V284-G286 PolarHBondContact O-N 3.24Å; V284-G286 VanDerWaalsContact O-N 3.13Å |
| 285 | L | 46 | Very low | 50.6 | Low | 135 Ų | 135 | 152.2 Ų | 152.2 | 71% | 0.707 | 83% | 0.827 | S | S | * | * | trans | -47.7 | 100.8 | 175.1 | -167 | 70.5 | 0 | 0 | 0 | 111.1 | T283 Y287 | T283-L285 PolarHBondContact O-N 2.75Å; T283-L285 VanDerWaalsContact O-N 3.17Å; L285-Y287 HydrophobicContact CD2-CE2 3.73Å; L285-Y287 HydrophobicContact CG-CD2 4.29Å; L285-Y287 HydrophobicContact CG-CE2 3.94Å | ||
| 286 | G | 43.2 | Very low | 50.3 | Low | 70 Ų | 70 | 154.9 Ų | 154.9 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | -103 | 112.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | V284 | V284-G286 PolarHBondContact O-N 3.24Å; V284-G286 VanDerWaalsContact O-N 3.13Å | ||
| 287 | Y | 41.9 | Very low | 49.6 | Very low | 195 Ų | 195 | 155.8 Ų | 155.8 | 77% | 0.765 | 84% | 0.841 | S | S | * | * | trans | -63.1 | 130.7 | 171.4 | -75.3 | -103.3 | 0 | 0 | 0 | 109.3 | L285 | L285-Y287 HydrophobicContact CD2-CE2 3.73Å; L285-Y287 HydrophobicContact CG-CD2 4.29Å; L285-Y287 HydrophobicContact CG-CE2 3.94Å | ||
| 288 | D | 42.7 | Very low | 49 | Very low | 168 Ų | 168 | 147 Ų | 147 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | -164.6 | 131.3 | 129.2 | -97.3 | -30.6 | 0 | 0 | 0 | 110.9 | |||||
| 289 | K | 44.7 | Very low | 48.4 | Very low | 205 Ų | 205 | 143.4 Ų | 143.4 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -72.3 | 129.4 | 174.5 | -78.1 | 171.1 | 170.5 | 178.4 | 0 | 109.4 | ||||
| 290 | A | 46.7 | Very low | 47.9 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -161.9 | 119.5 | 141.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 291 | D | 47.8 | Very low | 46.8 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 94% | 0.941 | 82% | 0.817 | S | S | * | * | trans | -60.1 | 131.8 | 172.7 | -62.4 | -63.1 | 0 | 0 | 0 | 110.8 | ||||
| 292 | G | 42.8 | Very low | 46.5 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | -169.3 | 76.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 293 | Q | 44.9 | Very low | 46.2 | Very low | 206 Ų | 206 | 136.9 Ų | 136.9 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | -54.9 | 136 | 160.6 | -76.9 | 179.2 | -6.3 | 0 | 0 | 109.8 | ||||
| 294 | G | 43.6 | Very low | 46.2 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | 146.7 | 111.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 295 | M | 46.2 | Very low | 46 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 96% | 0.956 | 82% | 0.823 | S | S | * | * | trans | 80.3 | 98.9 | 143.7 | -63.3 | -79.7 | 154.1 | 0 | 0 | 118.7 | ||||
| 296 | K | 44.4 | Very low | 46.4 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -47 | 143.9 | 152.1 | -69.8 | 168.3 | 170.3 | 174 | 0 | 112.4 | ||||
| 297 | G | 39.6 | Very low | 47.2 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 118 | 98.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 298 | G | 39.8 | Very low | 48 | Very low | 61 Ų | 61 | 151 Ų | 151 | 63% | 0.629 | 84% | 0.838 | S | S | * | * | trans | -177.1 | 82.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N300 | G298-N300 PolarHBondContact O-N 3.26Š| ||
| 299 | I | 47.7 | Very low | 48.9 | Very low | 167 Ų | 167 | 149 Ų | 149 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -71 | 79.1 | 175.2 | -50.3 | 166 | 0 | 0 | 0 | 107.5 | S301 | I299-S301 PolarHBondContact O-N 3.34Å; I299-S301 VanDerWaalsContact O-N 3.16Å | ||
| 300 | N | 49.7 | Very low | 49.3 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -82.1 | 99.5 | 175.3 | -80.4 | -18.5 | 0 | 0 | 0 | 109.5 | G298 | G298-N300 PolarHBondContact O-N 3.26Š| ||
| 301 | S | 43.3 | Very low | 49.7 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 83% | 0.831 | S | S | * | * | trans | -45.7 | 144.1 | 169.2 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | I299 S303 | I299-S301 PolarHBondContact O-N 3.34Å; I299-S301 VanDerWaalsContact O-N 3.16Å; S301-S303 PolarHBondContact O-N 3.12Å | ||
| 302 | P | 53.3 | Low | 50.4 | Low | 121 Ų | 121 | 146 Ų | 146 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -65.5 | 105.1 | -171.8 | 25.2 | -33.3 | 0 | 0 | 0 | 111.2 | R304 | P302-R304 PolarHBondContact O-N 3.39Å; P302-R304 VanDerWaalsContact O-N 3.1Å | ||
| 303 | S | 52.4 | Low | 51.5 | Low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -56.9 | 113.8 | 168.4 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | S301 R305 | S301-S303 PolarHBondContact O-N 3.12Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.07Å | ||
| 304 | R | 55.3 | Low | 52 | Low | 242 Ų | 242 | 143.5 Ų | 143.5 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -63.7 | 89.1 | 175.5 | -65.7 | -179 | -174.1 | -153.5 | 2.2 | 108.2 | P302 A306 | P302-R304 PolarHBondContact O-N 3.39Å; P302-R304 VanDerWaalsContact O-N 3.1Å; R304-A306 PolarHBondContact O-N 3Å | ||
| 305 | R | 50.4 | Low | 52.9 | Low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -66.7 | 101.7 | 175 | -157.9 | 176.6 | -175.1 | -154.1 | 3.1 | 108.4 | S303 K307 | S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.07Å; R305-K307 PolarHBondContact O-N 2.83Å; R305-K307 VanDerWaalsContact O-N 3.1Å | ||
| 306 | A | 53.8 | Low | 53 | Low | 91 Ų | 91 | 145.1 Ų | 145.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -50.8 | 113.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R304 K308 | R304-A306 PolarHBondContact O-N 3Å; A306-K308 PolarHBondContact O-N 3.04Å | ||
| 307 | K | 59.6 | Low | 53.9 | Low | 209 Ų | 209 | 140.3 Ų | 140.3 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 116.3 | 172.4 | -86.1 | -177.9 | 174.9 | 176.9 | 0 | 108.1 | R305 | R305-K307 PolarHBondContact O-N 2.83Å; R305-K307 VanDerWaalsContact O-N 3.1Å |
| 308 | K | 60.3 | Low | 54.6 | Low | 194 Ų | 194 | 141.6 Ų | 141.6 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 143 | 174.8 | -63.8 | -175.9 | 174.8 | -174.3 | 0 | 110.9 | A306 G310 | A306-K308 PolarHBondContact O-N 3.04Å; K308-G310 PolarHBondContact O-N 2.95Å |
| 309 | P | 60.2 | Low | 55.2 | Low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 121.2 | 175.5 | 24.6 | -32.1 | 0 | 0 | 0 | 109.5 | K311 | P309-K311 PolarHBondContact O-N 3.14Š|
| 310 | G | 54.3 | Low | 55.5 | Low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 130.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K308 T312 | K308-G310 PolarHBondContact O-N 2.95Å; G310-T312 PolarHBondContact O-N 3.08Å; G310-T312 VanDerWaalsContact O-N 3.11Å |
| 311 | K | 54.8 | Low | 56 | Low | 212 Ų | 212 | 143.9 Ų | 143.9 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -56.1 | 111.5 | 173.7 | -69.2 | 174.5 | 175.4 | -176.6 | 0 | 109.4 | P309 T313 | P309-K311 PolarHBondContact O-N 3.14Å; K311-T313 PolarHBondContact O-N 3.43Å | ||
| 312 | T | 61.8 | Low | 56.8 | Low | 135 Ų | 135 | 145.4 Ų | 145.4 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | -70.4 | 110.6 | 169.4 | 48.1 | 0 | 0 | 0 | 0 | 108.2 | G310 S314 | G310-T312 PolarHBondContact O-N 3.08Å; G310-T312 VanDerWaalsContact O-N 3.11Å; T312-S314 PolarHBondContact O-N 3.11Å | ||
| 313 | T | 66.2 | Low | 56.9 | Low | 130 Ų | 130 | 143.8 Ų | 143.8 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -80.2 | 105.4 | 168.2 | -155.5 | 0 | 0 | 0 | 0 | 107.2 | K311 V315 | K311-T313 PolarHBondContact O-N 3.43Å; T313-V315 PolarHBondContact O-N 3.16Å | ||
| 314 | S | 55.9 | Low | 57 | Low | 97 Ų | 97 | 147.1 Ų | 147.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -83.7 | 105.8 | 172.4 | 51.6 | 0 | 0 | 0 | 0 | 108 | T312 Q316 | T312-S314 PolarHBondContact O-N 3.11Å; S314-Q316 PolarHBondContact O-N 3.24Å | ||
| 315 | V | 61.6 | Low | 57.3 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 101.1 | 167.5 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | T313 V317 | T313-V315 PolarHBondContact O-N 3.16Å; V315-V317 PolarHBondContact O-N 3.21Å; V315-V317 VanDerWaalsContact O-N 3.17Å | ||
| 316 | Q | 48.2 | Very low | 57.7 | Low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -67.2 | 109.9 | 168.8 | -74 | -177.4 | 4.5 | 0 | 0 | 108.2 | S314 P318 | S314-Q316 PolarHBondContact O-N 3.24Å; Q316-P318 WeakPolarHBondContact O-CD 3.21Å | ||
| 317 | V | 63.6 | Low | 58 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -82.2 | 117.9 | 165.8 | -179.3 | 0 | 0 | 0 | 0 | 106.2 | V315 V319 | V315-V317 PolarHBondContact O-N 3.21Å; V315-V317 VanDerWaalsContact O-N 3.17Å; V317-V319 PolarHBondContact O-N 3.29Å | ||
| 318 | P | 53.8 | Low | 58.3 | Low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -63.5 | 113.3 | 175.4 | 24.2 | -30.9 | 0 | 0 | 0 | 108.8 | Q316 T320 | Q316-P318 WeakPolarHBondContact O-CD 3.21Å; P318-T320 PolarHBondContact O-N 3.1Å | ||
| 319 | V | 53.2 | Low | 58.3 | Low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -77.7 | 99.3 | 169.7 | -178.6 | 0 | 0 | 0 | 0 | 106.3 | V317 K321 | V317-V319 PolarHBondContact O-N 3.29Å; V319-K321 PolarHBondContact O-N 2.84Å | ||
| 320 | T | 54.6 | Low | 58.5 | Low | 93 Ų | 93 | 135.5 Ų | 135.5 | 57% | 0.571 | 79% | 0.786 | S | S | * | * | trans | -66.1 | 128.6 | 166.8 | 49.5 | 0 | 0 | 0 | 0 | 108.1 | P318 D322 | P318-T320 PolarHBondContact O-N 3.1Å; T320-D322 PolarHBondContact O-N 3.17Å | ||
| 321 | K | 59.6 | Low | 58.7 | Low | 206 Ų | 206 | 141.8 Ų | 141.8 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -64.5 | -7.1 | -169.3 | -142.7 | 172.9 | -176.1 | 179.4 | 0 | 114.5 | V319 | V319-K321 PolarHBondContact O-N 2.84Š|
| 322 | D | 60.9 | Low | 58.9 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -112.8 | 110.5 | 171.8 | -54.7 | -53.7 | 0 | 0 | 0 | 107.9 | T320 K324 | T320-D322 PolarHBondContact O-N 3.17Å; D322-K324 PolarHBondContact O-N 3.13Å |
| 323 | G | 54.2 | Low | 58.8 | Low | 87 Ų | 87 | 144 Ų | 144 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -63 | 49.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 324 | K | 54.9 | Low | 58.4 | Low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -108.6 | 109.7 | 169.6 | -103.5 | 112 | 176.6 | -172.4 | 0 | 109.6 | D322 | D322-K324 PolarHBondContact O-N 3.13Š| ||
| 325 | S | 61 | Low | 58.5 | Low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.3 | 174.2 | -50.1 | 0 | 0 | 0 | 0 | 111 | K327 | S325-K327 PolarHBondContact O-N 2.94Š|
| 326 | P | 59.4 | Low | 58.3 | Low | 124 Ų | 124 | 149.1 Ų | 149.1 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 121.1 | 178.8 | 23.6 | -31 | 0 | 0 | 0 | 110 | A328 | P326-A328 PolarHBondContact O-N 3.1Š|
| 327 | K | 60.8 | Low | 59 | Low | 197 Ų | 197 | 147.4 Ų | 147.4 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 120.7 | 171.2 | -76.6 | -179 | 176.3 | 173.9 | 0 | 108.1 | S325 S329 | S325-K327 PolarHBondContact O-N 2.94Å; K327-S329 PolarHBondContact O-N 3.16Å |
| 328 | A | 65.3 | Low | 58.7 | Low | 103 Ų | 103 | 149.7 Ų | 149.7 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -59.7 | 104.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P326 K330 | P326-A328 PolarHBondContact O-N 3.1Å; A328-K330 PolarHBondContact O-N 2.97Å | ||
| 329 | S | 59.9 | Low | 59 | Low | 114 Ų | 114 | 152.4 Ų | 152.4 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | -70.9 | 115.2 | 171.1 | -75.9 | 0 | 0 | 0 | 0 | 109.4 | K327 K331 | K327-S329 PolarHBondContact O-N 3.16Å; S329-K331 PolarHBondContact O-N 2.88Å | ||
| 330 | K | 64.9 | Low | 59.5 | Low | 205 Ų | 205 | 153.8 Ų | 153.8 | 89% | 0.891 | 85% | 0.845 | S | S | * | * | trans | -71.2 | 98.6 | 172.8 | -165.7 | 175.4 | -174.5 | -178.6 | 0 | 107.6 | A328 | A328-K330 PolarHBondContact O-N 2.97Š| ||
| 331 | K | 58.6 | Low | 59.9 | Low | 198 Ų | 198 | 158.8 Ų | 158.8 | 86% | 0.861 | 87% | 0.868 | S | S | * | * | trans | -76.2 | 133.1 | 168.8 | -79.2 | -170.9 | 173.7 | -173 | 0 | 108.9 | S329 | S329-K331 PolarHBondContact O-N 2.88Š| ||
| 332 | L | 59 | Low | 59.9 | Low | 249 Ų | 249 | 154.5 Ų | 154.5 | 100% | 1.304 | 87% | 0.866 | S | S | * | * | trans | -59.7 | 0 | -179.1 | -82.2 | 131.1 | 0 | 0 | 0 | 112.8 |
Retrieved 332 of 332 residues in 207.3 ms
(Link to these results)