| 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 | 29.2 | Very low | 38.1 | Very low | 246 Ų | 246 | 143.5 Ų | 143.5 | 100% | 1.212 | 82% | 0.817 | S | S | * | * | 0 | 162.1 | 0 | -75.6 | 165.8 | 161.4 | 0 | 0 | 107.9 | |||||
| 2 | A | 38.5 | Very low | 37.4 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -72.6 | -177.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | D | 42.7 | Very low | 36.9 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | cis | -158.9 | 173.6 | 10 | -145.5 | -43.7 | 0 | 0 | 0 | 109.2 | ||||
| 4 | T | 44.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | 176 | 105.6 | 139.7 | 34.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 5 | E | 46.3 | Very low | 37.2 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | 38.6 | 125.5 | 132.7 | 30.5 | -169.4 | 128.3 | 0 | 0 | 124 | ||||
| 6 | E | 38.4 | Very low | 36.7 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | -174 | 148.5 | 108.4 | -95.4 | -148.5 | 124.7 | 0 | 0 | 113.6 | |||||
| 7 | G | 32.4 | Very low | 36.6 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 85.8 | 103.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 8 | F | 33 | Very low | 36.2 | Very low | 217 Ų | 217 | 138.1 Ų | 138.1 | 95% | 0.952 | 81% | 0.806 | S | S | * | * | trans | -148.2 | 150.9 | 163.3 | -93.2 | -99.9 | 0 | 0 | 0 | 110 | ||||
| 9 | G | 31 | Very low | 35.9 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 164.5 | 162.4 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 10 | L | 32.5 | Very low | 35.6 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 66.9 | 168.5 | 162.7 | -64.5 | 176.6 | 0 | 0 | 0 | 118.6 | ||||
| 11 | P | 50.5 | Low | 35.7 | Very low | 103 Ų | 103 | 139 Ų | 139 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -133.3 | -175.1 | 3.8 | 34.2 | -12.1 | 0 | 0 | 0 | 117.7 | ||||
| 12 | T | 29.6 | Very low | 35.8 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 100.3 | 148.4 | 157.6 | 68.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 13 | T | 31.2 | Very low | 35.5 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | -130.5 | -172.8 | -173.4 | 50.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 14 | P | 46.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -139.8 | -172.2 | 4.8 | 45.4 | -27.1 | 0 | 0 | 0 | 116.7 | ||||
| 15 | A | 31.5 | Very low | 34.3 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | 64.6 | 157.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 16 | D | 29.2 | Very low | 33.5 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | cis | -147 | -163.2 | 19.7 | -148 | -31.1 | 0 | 0 | 0 | 113 | ||||
| 17 | S | 35.6 | Very low | 33.2 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -105.2 | 147.3 | -168.9 | -44.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 18 | E | 29.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | 167.6 | 144.1 | 122.7 | -96.5 | -146.7 | 60.7 | 0 | 0 | 116.5 | |||||
| 19 | S | 29.6 | Very low | 32.8 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | 47.5 | 121.1 | 136.6 | -62.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 20 | K | 31.1 | Very low | 32.9 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | 111.1 | 151.6 | 120.6 | -106 | -176.4 | 174 | 179.9 | 0 | 122.1 | |||||
| 21 | E | 36.7 | Very low | 32.9 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | trans | -61 | 155.7 | -173.4 | -54 | 148.1 | 89.8 | 0 | 0 | 114.9 | ||||
| 22 | L | 31 | Very low | 32.2 | Very low | 175 Ų | 175 | 148 Ų | 148 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -154.8 | 153 | 131.8 | -112 | 171.1 | 0 | 0 | 0 | 111.5 | ||||
| 23 | Q | 33 | Very low | 32.1 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -96.9 | 157.9 | 178.1 | -63.2 | 174.6 | -5.2 | 0 | 0 | 111 | ||||
| 24 | A | 30.3 | Very low | 32.4 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -144.7 | 119.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 25 | E | 31.4 | Very low | 31.8 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 147.3 | 166.6 | -75.1 | -173.4 | 78.3 | 0 | 0 | 111.2 | ||||
| 26 | T | 30.1 | Very low | 32.5 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -135.1 | 125.5 | 148.5 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | Q28 | T26-Q28 PolarHBondContact O-N 3.43Š| ||
| 27 | K | 31.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 131.2 | 174.9 | -75.5 | 173.9 | 177.8 | 172.7 | 0 | 110.4 | ||||
| 28 | Q | 29.9 | Very low | 34.9 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | 47 | 101.1 | 86.6 | -77 | -168.3 | -2.6 | 0 | 0 | 113.6 | T26 | T26-Q28 PolarHBondContact O-N 3.43Š| |||
| 29 | D | 28 | Very low | 36.8 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | -110.5 | 150.7 | 149.3 | -162.4 | -9 | 0 | 0 | 0 | 108.2 | ||||
| 30 | T | 32.5 | Very low | 38.1 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -103.6 | 105.9 | -165 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | Q | 31.4 | Very low | 39.8 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -114.4 | 125.3 | 167.4 | -162.8 | 168.6 | 91.1 | 0 | 0 | 110.7 | G33 | Q31-G33 PolarHBondContact O-N 3.48Š| ||
| 32 | L | 36.7 | Very low | 41.3 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -75.2 | 69 | -174.4 | -73.3 | 166.7 | 0 | 0 | 0 | 112.5 | A34 | L32-A34 PolarHBondContact O-N 3.01Š| ||
| 33 | G | 27.8 | Very low | 43.3 | Very low | 58 Ų | 58 | 125 Ų | 125 | 60% | 0.598 | 72% | 0.715 | S | S | * | * | trans | -70.2 | 116.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q31 T35 | Q31-G33 PolarHBondContact O-N 3.48Å; G33-T35 VanDerWaalsContact C-N 3.34Å; G33-T35 PolarHBondContact O-N 3.48Å | ||
| 34 | A | 36.9 | Very low | 45.4 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | trans | -69.3 | 90.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L32 S36 | L32-A34 PolarHBondContact O-N 3.01Å; A34-S36 PolarHBondContact O-N 3.28Å | ||
| 35 | T | 34.3 | Very low | 47.6 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -68.1 | 92.9 | 179.4 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | G33 K37 | G33-T35 VanDerWaalsContact C-N 3.34Å; G33-T35 PolarHBondContact O-N 3.48Å; T35-K37 PolarHBondContact O-N 3.15Å; T35-K37 VanDerWaalsContact O-N 3.07Å | ||
| 36 | S | 45.6 | Very low | 49.9 | Very low | 65 Ų | 65 | 114.5 Ų | 114.5 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | trans | -57 | 110.9 | 173.8 | 42.4 | 0 | 0 | 0 | 0 | 109.5 | A34 S38 | A34-S36 PolarHBondContact O-N 3.28Å; S36-S38 PolarHBondContact O-N 3.36Å | ||
| 37 | K | 55.3 | Low | 52.3 | Low | 141 Ų | 141 | 110.4 Ų | 110.4 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.9 | -168.6 | -68.1 | 172.7 | -169.3 | 122.9 | 0 | 110.2 | T35 E69 | T35-K37 PolarHBondContact O-N 3.15Å; T35-K37 VanDerWaalsContact O-N 3.07Å; K37-E69 IonicContact NZ-OE1 3.33Å; K37-E69 PolarHBondContact NZ-OE1 2.83Å |
| 38 | S | 59.3 | Low | 54.5 | Low | 100 Ų | 100 | 105.5 Ų | 105.5 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.6 | 170.5 | 43.2 | 0 | 0 | 0 | 0 | 109.8 | S36 T40 | S36-S38 PolarHBondContact O-N 3.36Å; S38-T40 PolarHBondContact O-N 2.96Å |
| 39 | P | 69.9 | Low | 56.4 | Low | 19 Ų | 19 | 105.3 Ų | 105.3 | 12% | 0.123 | 62% | 0.62 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 137.2 | 176.9 | 26 | -34.4 | 0 | 0 | 0 | 110 | S41 P202 E203 | P39-S41 PolarHBondContact O-N 3.12Å; P39-S41 VanDerWaalsContact O-N 3.13Å; P39-P202 HydrophobicContact CB-CB 3.96Å; P39-P202 HydrophobicContact CG-CB 4.2Å; P39-E203 HydrophobicContact CG-CB 4.43Å |
| 40 | T | 58.1 | Low | 58.5 | Low | 152 Ų | 152 | 99.5 Ų | 99.5 | 93% | 0.933 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -63.9 | -18.6 | -177.5 | -32.3 | 0 | 0 | 0 | 0 | 113.3 | S38 | S38-T40 PolarHBondContact O-N 2.96Š|
| 41 | S | 67 | Low | 60.9 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -92.2 | 133 | 172.6 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | P39 | P39-S41 PolarHBondContact O-N 3.12Å; P39-S41 VanDerWaalsContact O-N 3.13Å |
| 42 | P | 67.8 | Low | 63.1 | Low | 113 Ų | 113 | 91.6 Ų | 91.6 | 73% | 0.734 | 55% | 0.554 | S | S | * | * | trans | -66.1 | 156.9 | 172.7 | 28.9 | -34.9 | 0 | 0 | 0 | 111.6 | A44 P202 | P42-A44 PolarHBondContact O-N 3.02Å; P42-P202 WeakPolarHBondContact O-CG 3.45Å | ||
| 43 | Q | 73.1 | Confident | 65.4 | Low | 85 Ų | 85 | 85.9 Ų | 85.9 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | trans | -68 | 97.1 | 173.3 | -74.9 | -179.1 | -10.8 | 0 | 0 | 110.2 | A45 F201 E203 | Q43-A45 PolarHBondContact O-N 2.87Å; Q43-F201 HydrophobicContact CG-CD1 4.23Å; Q43-E203 PolarHBondContact NE2-OE1 2.92Å | ||
| 44 | A | 75.6 | Confident | 68.4 | Low | 59 Ų | 59 | 83.7 Ų | 83.7 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | trans | -70.4 | 124.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P42 V200 | P42-A44 PolarHBondContact O-N 3.02Å; A44-V200 HydrophobicContact CB-CB 4.32Å; A44-V200 HydrophobicContact CB-CG2 4.44Å; A44-V200 WeakPolarHBondContact O-CB 3.43Å; A44-V200 WeakPolarHBondContact O-CG2 3.49Å; A44-V200 PolarHBondContact O-N 3.42Å | ||
| 45 | A | 76.8 | Confident | 71 | Confident | 60 Ų | 60 | 84.9 Ų | 84.9 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q43 T198 | Q43-A45 PolarHBondContact O-N 2.87Å; A45-T198 CarbonylContact C-O 3.48Å; A45-T198 VanDerWaalsContact CA-O 3.31Å; A45-T198 WeakPolarHBondContact CA-O 3.41Å |
| 46 | F | 80.8 | Confident | 73.8 | Confident | 120 Ų | 120 | 79.7 Ų | 79.7 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.9 | 167.2 | 176.6 | -91.9 | 0 | 0 | 0 | 108 | Q48 F196 C197 T198 | F46-Q48 HydrophobicContact CE1-CG 3.99Å; F46-Q48 HydrophobicContact CZ-CG 4.44Å; F46-F196 HydrophobicContact CD1-CD2 4.39Å; F46-F196 AromaticContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CE1-CD2 4.39Å; F46-F196 AromaticContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CZ 4.12Å; F46-C197 CarbonylContact O-C 3.6Å; F46-C197 WeakPolarHBondContact O-CA 3.46Å; F46-C197 WeakPolarHBondContact O-CB 3.34Å; F46-T198 PolarHBondContact N-O 2.97Å; F46-T198 PolarHBondContact O-N 2.99Å |
| 47 | T | 80.8 | Confident | 76.1 | Confident | 52 Ų | 52 | 81.7 Ų | 81.7 | 32% | 0.319 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 120.8 | -171.5 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | M51 E52 C197 | T47-M51 HydrophobicContact CG2-CB 3.71Å; T47-E52 HydrophobicContact CG2-CG 4.47Å; T47-C197 HydrophobicContact CG2-CB 4.13Å |
| 48 | Q | 76.5 | Confident | 78.1 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 33% | 0.327 | 44% | 0.441 | S | S | . | . | trans | -75.1 | 158.7 | 171 | -73.8 | -167.7 | 55.5 | 0 | 0 | 112.1 | F46 M51 A195 F196 | F46-Q48 HydrophobicContact CE1-CG 3.99Å; F46-Q48 HydrophobicContact CZ-CG 4.44Å; Q48-M51 WeakPolarHBondContact O-CB 3.43Å; Q48-M51 PolarHBondContact O-N 3.45Å; Q48-M51 VanDerWaalsContact O-N 3.15Å; Q48-A195 HydrophobicContact CB-CB 4.1Å; Q48-F196 WeakPolarHBondContact CB-O 3.45Å; Q48-F196 WeakPolarHBondContact CG-O 3.37Å; Q48-F196 PolarHBondContact N-O 3.05Å | ||
| 49 | Q | 70.8 | Confident | 79.8 | Confident | 175 Ų | 175 | 75.5 Ų | 75.5 | 82% | 0.818 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137.6 | 179.1 | -163.2 | 173.5 | 14.5 | 0 | 0 | 111.6 | M51 E52 | Q49-M51 VanDerWaalsContact C-N 3.32Å; Q49-E52 WeakPolarHBondContact CA-OE1 3.44Å |
| 50 | G | 72.1 | Confident | 81 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 43% | 0.433 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 16.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E52 K182 | G50-E52 PolarHBondContact N-OE1 3.06Å; G50-K182 PolarHBondContact O-NZ 2.87Å |
| 51 | M | 82.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | trans | -121.5 | 2.6 | 165.9 | -66.1 | -169.9 | 71.6 | 0 | 0 | 113.5 | T47 Q48 Q49 G53 I54 I180 K182 A195 F196 C197 | T47-M51 HydrophobicContact CG2-CB 3.71Å; Q48-M51 WeakPolarHBondContact O-CB 3.43Å; Q48-M51 PolarHBondContact O-N 3.45Å; Q48-M51 VanDerWaalsContact O-N 3.15Å; Q49-M51 VanDerWaalsContact C-N 3.32Å; M51-G53 PolarHBondContact O-N 2.59Å; M51-G53 VanDerWaalsContact O-N 3.12Å; M51-I54 HydrophobicContact CB-CD1 4.04Å; M51-I54 HydrophobicContact CE-CD1 3.5Å; M51-I54 HydrophobicContact CG-CD1 4.2Å; M51-I54 WeakPolarHBondContact O-CB 3.27Å; M51-I54 PolarHBondContact O-N 3.15Å; M51-I180 HydrophobicContact CE-CB 4.11Å; M51-I180 HydrophobicContact CE-CG2 3.87Å; M51-K182 HydrophobicContact CE-CB 4.28Å; M51-K182 HydrophobicContact CG-CB 4.48Å; M51-K182 HydrophobicContact CG-CD 4.12Å; M51-K182 HydrophobicContact SD-CB 4.09Å; M51-A195 HydrophobicContact CG-CB 3.75Å; M51-A195 HydrophobicContact SD-CB 3.58Å; M51-A195 VanDerWaalsContact SD-CB 3.58Å; M51-F196 WeakPolarHBondContact SD-CA 3.43Å; M51-C197 HydrophobicContact CE-CB 3.91Å; M51-C197 VanDerWaalsContact CE-SG 3.53Å; M51-C197 HydrophobicContact SD-CB 4.21Å; M51-C197 PolarHBondContact SD-N 2.94Å | ||
| 52 | E | 78.3 | Confident | 84.3 | Confident | 139 Ų | 139 | 79.1 Ų | 79.1 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.1 | -172.1 | -66.8 | 142.8 | -106.9 | 0 | 0 | 115.2 | T47 Q49 G50 I54 | T47-E52 HydrophobicContact CG2-CG 4.47Å; Q49-E52 WeakPolarHBondContact CA-OE1 3.44Å; G50-E52 PolarHBondContact N-OE1 3.06Å; E52-I54 VanDerWaalsContact C-N 3.3Å; E52-I54 PolarHBondContact O-N 2.78Å |
| 53 | G | 85.1 | Confident | 85.7 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 54% | 0.536 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M51 | M51-G53 PolarHBondContact O-N 2.59Å; M51-G53 VanDerWaalsContact O-N 3.12Å |
| 54 | I | 90.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | trans | -81.4 | 122.6 | -171.7 | -62 | 169.7 | 0 | 0 | 0 | 110.4 | M51 E52 V91 T92 G93 L94 Y100 I180 | M51-I54 HydrophobicContact CB-CD1 4.04Å; M51-I54 HydrophobicContact CE-CD1 3.5Å; M51-I54 HydrophobicContact CG-CD1 4.2Å; M51-I54 WeakPolarHBondContact O-CB 3.27Å; M51-I54 PolarHBondContact O-N 3.15Å; E52-I54 VanDerWaalsContact C-N 3.3Å; E52-I54 PolarHBondContact O-N 2.78Å; I54-V91 HydrophobicContact CG2-CG1 3.98Å; I54-T92 WeakPolarHBondContact CA-O 3.27Å; I54-G93 WeakPolarHBondContact CG1-O 3.39Å; I54-L94 HydrophobicContact CD1-CD2 3.8Å; I54-L94 HydrophobicContact CG1-CD2 4.05Å; I54-L94 HydrophobicContact CG2-CD2 4.17Å; I54-Y100 HydrophobicContact CD1-CE1 3.99Å; I54-I180 HydrophobicContact CG2-CD1 3.8Å | ||
| 55 | K | 91.5 | Very high | 88 | Confident | 128 Ų | 128 | 69 Ų | 69 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.9 | 177.8 | -59 | -178.2 | -176.8 | -179.4 | 0 | 110.1 | F57 V91 T92 | K55-F57 HydrophobicContact CB-CE2 3.92Å; K55-F57 HydrophobicContact CB-CZ 4.05Å; K55-V91 WeakPolarHBondContact O-CA 3.14Å; K55-T92 PolarHBondContact N-O 2.93Å; K55-T92 PolarHBondContact O-N 2.94Å |
| 56 | V | 93.9 | Very high | 89 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.085 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.8 | -177.4 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | V89 K90 V91 L178 I180 H199 F201 | V56-V89 HydrophobicContact CG1-CB 3.8Å; V56-V89 HydrophobicContact CG1-CG1 3.86Å; V56-V89 HydrophobicContact CG1-CG2 4.37Å; V56-K90 WeakPolarHBondContact CA-O 3.27Å; V56-V91 HydrophobicContact CG1-CG2 4.43Å; V56-V91 HydrophobicContact CG2-CG1 4.24Å; V56-V91 HydrophobicContact CG2-CG2 4.25Å; V56-L178 HydrophobicContact CB-CD2 4.5Å; V56-L178 HydrophobicContact CG1-CD2 3.61Å; V56-L178 HydrophobicContact CG2-CD2 4.11Å; V56-I180 HydrophobicContact CG2-CD1 3.82Å; V56-H199 HydrophobicContact CB-CB 4.42Å; V56-H199 VanDerWaalsContact CG2-CD2 3.42Å; V56-H199 WeakPolarHBondContact CG2-CD2 3.45Å; V56-F201 HydrophobicContact CB-CZ 4.3Å; V56-F201 HydrophobicContact CG1-CE2 4.03Å; V56-F201 HydrophobicContact CG1-CZ 3.84Å |
| 57 | F | 94 | Very high | 89.9 | Confident | 106 Ų | 106 | 65.9 Ų | 65.9 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.7 | -179.1 | -53.8 | -90.7 | 0 | 0 | 0 | 109.6 | K55 H59 V89 K90 T92 | K55-F57 HydrophobicContact CB-CE2 3.92Å; K55-F57 HydrophobicContact CB-CZ 4.05Å; F57-H59 PolarHBondContact O-N 2.86Å; F57-V89 CarbonylContact O-C 3.59Å; F57-V89 VanDerWaalsContact O-CA 3.31Å; F57-V89 WeakPolarHBondContact O-CA 3.48Å; F57-K90 HydrophobicContact CB-CB 4.43Å; F57-K90 PolarHBondContact N-O 2.96Å; F57-K90 PolarHBondContact O-N 3.46Å; F57-T92 HydrophobicContact CE2-CG2 4.29Å |
| 58 | L | 95.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 66.1 Ų | 66.1 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125.6 | 172.9 | -175.7 | 66.1 | 0 | 0 | 0 | 109.9 | R61 W64 F201 E203 T204 | L58-R61 HydrophobicContact CD2-CG 4.34Å; L58-W64 HydrophobicContact CD2-CB 4.07Å; L58-W64 HydrophobicContact CD2-CG 3.9Å; L58-F201 HydrophobicContact CB-CD1 4.15Å; L58-F201 HydrophobicContact CB-CD2 4.12Å; L58-F201 HydrophobicContact CB-CE1 4.15Å; L58-F201 HydrophobicContact CB-CE2 4.13Å; L58-F201 HydrophobicContact CB-CG 4.15Å; L58-F201 HydrophobicContact CB-CZ 4.15Å; L58-F201 HydrophobicContact CD1-CD2 4.07Å; L58-F201 HydrophobicContact CD1-CE2 4.48Å; L58-F201 HydrophobicContact CD2-CB 4.24Å; L58-F201 HydrophobicContact CD2-CG 4.3Å; L58-E203 HydrophobicContact CD2-CG 3.7Å; L58-T204 HydrophobicContact CD1-CG2 3.83Å; L58-T204 HydrophobicContact CD2-CG2 3.5Å; L58-T204 VanDerWaalsContact CD2-CG2 3.5Å; L58-T204 HydrophobicContact CG-CG2 4.34Å |
| 59 | H | 94.8 | Very high | 91.7 | Very high | 96 Ų | 96 | 67.4 Ų | 67.4 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 150.6 | 174.9 | -175 | 84.8 | 0 | 0 | 0 | 110.3 | F57 R61 K88 | F57-H59 PolarHBondContact O-N 2.86Å; H59-R61 PolarHBondContact O-N 3.19Å; H59-K88 HydrophobicContact CB-CB 3.81Å; H59-K88 PolarHBondContact N-O 3.09Å |
| 60 | E | 95.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 61 Ų | 61 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.3 | -172.2 | -67.2 | 159.3 | -129.8 | 0 | 0 | 113 | E62 L63 W64 K88 | E60-E62 VanDerWaalsContact C-N 3.26Å; E60-E62 PolarHBondContact O-N 3.13Å; E60-E62 VanDerWaalsContact O-N 3.16Å; E60-L63 HydrophobicContact CB-CB 4.27Å; E60-L63 WeakPolarHBondContact O-CB 3.49Å; E60-L63 PolarHBondContact O-N 2.95Å; E60-W64 PolarHBondContact O-N 3.42Å; E60-W64 VanDerWaalsContact O-N 3.16Å; E60-K88 IonicContact OE1-NZ 3.3Å; E60-K88 PolarHBondContact OE1-NZ 3.42Å |
| 61 | R | 96.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 60.3 Ų | 60.3 | 41% | 0.408 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -52.2 | -40.1 | -175.2 | -173.5 | 178.8 | -169.1 | -151.3 | -3 | 113.6 | L58 H59 L63 W64 L65 E203 | L58-R61 HydrophobicContact CD2-CG 4.34Å; H59-R61 PolarHBondContact O-N 3.19Å; R61-L63 VanDerWaalsContact C-N 3.32Å; R61-L63 PolarHBondContact O-N 2.85Å; R61-W64 WeakPolarHBondContact O-CB 3.37Å; R61-W64 PolarHBondContact O-N 3.08Å; R61-L65 HydrophobicContact CG-CD1 4.35Å; R61-L65 WeakPolarHBondContact O-CG 3.31Å; R61-L65 PolarHBondContact O-N 3.44Å; R61-E203 IonicContact CZ-OE1 3.15Å; R61-E203 IonicContact NE-OE1 3.71Å; R61-E203 PolarHBondContact NE-OE1 3.05Å; R61-E203 IonicContact NH2-OE1 3.62Å; R61-E203 PolarHBondContact NH2-OE1 2.84Å |
| 62 | E | 97.8 | Very high | 94.9 | Very high | 147 Ų | 147 | 60.4 Ų | 60.4 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.3 | -35.3 | 177.9 | -64.9 | 175.1 | -171.4 | 0 | 0 | 112.9 | E60 L65 K66 | E60-E62 VanDerWaalsContact C-N 3.26Å; E60-E62 PolarHBondContact O-N 3.13Å; E60-E62 VanDerWaalsContact O-N 3.16Å; E62-L65 PolarHBondContact O-N 2.94Å; E62-K66 WeakPolarHBondContact O-CG 3.37Å; E62-K66 PolarHBondContact O-N 2.98Å |
| 63 | L | 97.9 | Very high | 95.9 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 174.7 | -177.5 | 61.2 | 0 | 0 | 0 | 110.4 | E60 R61 L65 K66 F67 F84 P85 N224 | E60-L63 HydrophobicContact CB-CB 4.27Å; E60-L63 WeakPolarHBondContact O-CB 3.49Å; E60-L63 PolarHBondContact O-N 2.95Å; R61-L63 VanDerWaalsContact C-N 3.32Å; R61-L63 PolarHBondContact O-N 2.85Å; L63-L65 PolarHBondContact O-N 3.23Å; L63-K66 PolarHBondContact O-N 2.97Å; L63-F67 HydrophobicContact CD1-CD2 4.17Å; L63-F67 HydrophobicContact CD1-CE2 3.81Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE2 4.07Å; L63-F67 VanDerWaalsContact O-CD2 3.31Å; L63-F67 WeakPolarHBondContact O-CD2 3.44Å; L63-F67 PolarHBondContact O-N 3.25Å; L63-F67 VanDerWaalsContact O-N 3.13Å; L63-F84 HydrophobicContact CD2-CZ 4.11Å; L63-P85 HydrophobicContact CD2-CB 4.11Å; L63-P85 HydrophobicContact CD2-CG 4Å; L63-P85 HydrophobicContact CG-CB 4.41Å; L63-P85 HydrophobicContact CG-CG 3.85Å; L63-N224 HydrophobicContact CD1-CB 3.85Å; L63-N224 WeakPolarHBondContact CD1-OD1 3.48Å; L63-N224 HydrophobicContact CD2-CB 4.35Å |
| 64 | W | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 171.5 | -79.1 | 102.5 | 0 | 0 | 0 | 112.3 | L58 E60 R61 K66 F67 H68 T72 M74 P85 Y87 E203 T204 | L58-W64 HydrophobicContact CD2-CB 4.07Å; L58-W64 HydrophobicContact CD2-CG 3.9Å; E60-W64 PolarHBondContact O-N 3.42Å; E60-W64 VanDerWaalsContact O-N 3.16Å; R61-W64 WeakPolarHBondContact O-CB 3.37Å; R61-W64 PolarHBondContact O-N 3.08Å; W64-K66 PolarHBondContact O-N 2.88Å; W64-F67 PolarHBondContact O-N 2.9Å; W64-H68 WeakPolarHBondContact O-CB 3.43Å; W64-H68 PolarHBondContact O-N 3.07Å; W64-T72 HydrophobicContact CZ3-CG2 4.48Å; W64-M74 HydrophobicContact CH2-CE 3.63Å; W64-M74 HydrophobicContact CZ3-CE 3.75Å; W64-P85 HydrophobicContact CD2-CB 4.13Å; W64-P85 HydrophobicContact CD2-CG 4.14Å; W64-P85 HydrophobicContact CE3-CG 4.43Å; W64-P85 HydrophobicContact CG-CB 4.49Å; W64-P85 HydrophobicContact CG-CG 4.47Å; W64-P85 HydrophobicContact CZ2-CB 3.99Å; W64-P85 VanDerWaalsContact CZ2-O 3.29Å; W64-P85 WeakPolarHBondContact CZ2-O 3.49Å; W64-Y87 HydrophobicContact CZ2-CD2 4.44Å; W64-E203 HydrophobicContact CB-CG 4.44Å; W64-T204 HydrophobicContact CD2-CG2 3.79Å; W64-T204 HydrophobicContact CE3-CG2 3.86Å; W64-T204 HydrophobicContact CG-CG2 4.25Å; W64-T204 HydrophobicContact CH2-CG2 4.37Å; W64-T204 HydrophobicContact CZ2-CG2 4.32Å; W64-T204 HydrophobicContact CZ3-CG2 4.14Å |
| 65 | L | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.7 | -71 | 168.6 | 0 | 0 | 0 | 112.6 | R61 E62 L63 F67 H68 E69 E203 | R61-L65 HydrophobicContact CG-CD1 4.35Å; R61-L65 WeakPolarHBondContact O-CG 3.31Å; R61-L65 PolarHBondContact O-N 3.44Å; E62-L65 PolarHBondContact O-N 2.94Å; L63-L65 PolarHBondContact O-N 3.23Å; L65-F67 VanDerWaalsContact C-N 3.33Å; L65-F67 PolarHBondContact O-N 2.85Å; L65-H68 PolarHBondContact O-N 3.2Å; L65-H68 VanDerWaalsContact O-N 3.14Å; L65-E69 PolarHBondContact O-N 2.9Å; L65-E203 HydrophobicContact CD2-CB 3.8Å; L65-E203 HydrophobicContact CD2-CG 4.49Å; L65-E203 HydrophobicContact CG-CB 4.42Å |
| 66 | K | 98.1 | Very high | 97.1 | Very high | 115 Ų | 115 | 48.6 Ų | 48.6 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -38.8 | 174.5 | -72.5 | 173.1 | -176.4 | -180 | 0 | 112.7 | E62 L63 W64 | E62-K66 WeakPolarHBondContact O-CG 3.37Å; E62-K66 PolarHBondContact O-N 2.98Å; L63-K66 PolarHBondContact O-N 2.97Å; W64-K66 PolarHBondContact O-N 2.88Å |
| 67 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.5 | -38.5 | 172.2 | -81.5 | -73.2 | 0 | 0 | 0 | 112.4 | L63 W64 L65 V70 G71 T72 F84 P85 I217 L220 K221 | L63-F67 HydrophobicContact CD1-CD2 4.17Å; L63-F67 HydrophobicContact CD1-CE2 3.81Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE2 4.07Å; L63-F67 VanDerWaalsContact O-CD2 3.31Å; L63-F67 WeakPolarHBondContact O-CD2 3.44Å; L63-F67 PolarHBondContact O-N 3.25Å; L63-F67 VanDerWaalsContact O-N 3.13Å; W64-F67 PolarHBondContact O-N 2.9Å; L65-F67 VanDerWaalsContact C-N 3.33Å; L65-F67 PolarHBondContact O-N 2.85Å; F67-V70 PolarHBondContact O-N 3.38Å; F67-G71 CarbonylContact O-C 3.52Å; F67-G71 PolarHBondContact O-N 2.98Å; F67-T72 VanDerWaalsContact C-OG1 3.25Å; F67-T72 HydrophobicContact CB-CG2 4.14Å; F67-T72 PolarHBondContact O-N 3.12Å; F67-T72 VanDerWaalsContact O-N 3.08Å; F67-T72 PolarHBondContact O-OG1 3.05Å; F67-F84 HydrophobicContact CE2-CD1 4.27Å; F67-F84 AromaticContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CZ-CD1 4.11Å; F67-F84 AromaticContact CZ-CE1 3.92Å; F67-F84 HydrophobicContact CZ-CE1 3.92Å; F67-P85 VanDerWaalsContact CD2-CD 3.5Å; F67-P85 HydrophobicContact CD2-CG 3.36Å; F67-P85 HydrophobicContact CE2-CG 3.55Å; F67-P85 HydrophobicContact CG-CG 4.36Å; F67-I217 HydrophobicContact CD1-CD1 3.95Å; F67-I217 HydrophobicContact CD1-CG2 4.3Å; F67-I217 HydrophobicContact CE1-CG2 4.2Å; F67-L220 HydrophobicContact CD1-CB 4.16Å; F67-L220 HydrophobicContact CD1-CD1 4.2Å; F67-L220 HydrophobicContact CE1-CB 3.43Å; F67-L220 VanDerWaalsContact CE1-CB 3.43Å; F67-L220 HydrophobicContact CE1-CD1 4.3Å; F67-L220 HydrophobicContact CE2-CB 4.46Å; F67-L220 HydrophobicContact CZ-CB 3.61Å; F67-K221 HydrophobicContact CE1-CD 3.59Å; F67-K221 HydrophobicContact CE1-CG 3.93Å; F67-K221 HydrophobicContact CZ-CD 3.77Å; F67-K221 HydrophobicContact CZ-CG 4.24Å |
| 68 | H | 98 | Very high | 96.9 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 27% | 0.269 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | -178.8 | -171.3 | 81.5 | 0 | 0 | 0 | 112.5 | W64 L65 V70 G71 T72 P202 | W64-H68 WeakPolarHBondContact O-CB 3.43Å; W64-H68 PolarHBondContact O-N 3.07Å; L65-H68 PolarHBondContact O-N 3.2Å; L65-H68 VanDerWaalsContact O-N 3.14Å; H68-V70 PolarHBondContact O-N 3.47Å; H68-G71 PolarHBondContact O-N 2.89Å; H68-T72 WeakPolarHBondContact CA-OG1 3.42Å; H68-T72 PolarHBondContact N-OG1 2.85Å; H68-P202 PolarHBondContact CE1-O 3.13Å; H68-P202 PolarHBondContact ND1-O 2.92Å |
| 69 | E | 97.6 | Very high | 96.6 | Very high | 96 Ų | 96 | 59.7 Ų | 59.7 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -29.7 | 178.9 | 180 | 160.7 | -150.5 | 0 | 0 | 113.1 | K37 L65 | K37-E69 IonicContact NZ-OE1 3.33Å; K37-E69 PolarHBondContact NZ-OE1 2.83Å; L65-E69 PolarHBondContact O-N 2.9Å |
| 70 | V | 97.3 | Very high | 96.3 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 26% | 0.255 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -87.5 | -13.2 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | F67 H68 N214 K216 I217 L220 | F67-V70 PolarHBondContact O-N 3.38Å; H68-V70 PolarHBondContact O-N 3.47Å; V70-N214 WeakPolarHBondContact CG1-ND2 3.49Å; V70-N214 PolarHBondContact O-ND2 3.19Å; V70-K216 HydrophobicContact CG1-CB 3.55Å; V70-I217 HydrophobicContact CB-CD1 3.75Å; V70-I217 HydrophobicContact CG1-CD1 3.54Å; V70-I217 HydrophobicContact CG1-CG1 3.84Å; V70-L220 HydrophobicContact CB-CD1 4.33Å; V70-L220 HydrophobicContact CG2-CD1 3.93Å |
| 71 | G | 97.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | trans | 88.5 | 87.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F67 H68 E73 I217 | F67-G71 CarbonylContact O-C 3.52Å; F67-G71 PolarHBondContact O-N 2.98Å; H68-G71 PolarHBondContact O-N 2.89Å; G71-E73 PolarHBondContact O-N 2.9Å; G71-I217 VanDerWaalsContact O-CD1 3.29Å; G71-I217 WeakPolarHBondContact O-CD1 3.47Å | ||
| 72 | T | 98.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | trans | -53.9 | 125.5 | -174.1 | -49.3 | 0 | 0 | 0 | 0 | 113.2 | W64 F67 H68 M74 A205 F206 I207 | W64-T72 HydrophobicContact CZ3-CG2 4.48Å; F67-T72 VanDerWaalsContact C-OG1 3.25Å; F67-T72 HydrophobicContact CB-CG2 4.14Å; F67-T72 PolarHBondContact O-N 3.12Å; F67-T72 VanDerWaalsContact O-N 3.08Å; F67-T72 PolarHBondContact O-OG1 3.05Å; H68-T72 WeakPolarHBondContact CA-OG1 3.42Å; H68-T72 PolarHBondContact N-OG1 2.85Å; T72-M74 HydrophobicContact CG2-CE 4.04Å; T72-A205 WeakPolarHBondContact CB-O 3.47Å; T72-A205 PolarHBondContact OG1-O 3.28Å; T72-F206 HydrophobicContact CG2-CB 3.66Å; T72-F206 CarbonylContact O-C 3.48Å; T72-F206 WeakPolarHBondContact O-CA 3.5Å; T72-F206 WeakPolarHBondContact O-CB 3.38Å; T72-I207 PolarHBondContact O-N 2.94Å | ||
| 73 | E | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146.2 | 169.8 | -59 | 173.2 | -159.9 | 0 | 0 | 111.5 | G71 W121 I207 V209 Y212 Q213 N214 I217 K221 | G71-E73 PolarHBondContact O-N 2.9Å; E73-W121 HydrophobicContact CG-CZ2 3.94Å; E73-I207 WeakPolarHBondContact CA-O 3.34Å; E73-V209 HydrophobicContact CB-CG2 3.99Å; E73-V209 HydrophobicContact CG-CG1 4.49Å; E73-Y212 HydrophobicContact CB-CD1 4.06Å; E73-Y212 HydrophobicContact CB-CE1 4.4Å; E73-Y212 WeakPolarHBondContact OE2-CA 3.35Å; E73-Q213 PolarHBondContact OE2-N 3.47Å; E73-N214 WeakPolarHBondContact OE1-CB 3.37Å; E73-N214 PolarHBondContact OE1-N 3.48Å; E73-I217 HydrophobicContact CB-CG2 4.09Å; E73-I217 HydrophobicContact CG-CG1 4.28Å; E73-I217 HydrophobicContact CG-CG2 4.49Å; E73-K221 VanDerWaalsContact O-CE 3.27Å; E73-K221 WeakPolarHBondContact O-CE 3.25Å; E73-K221 PolarHBondContact O-NZ 2.85Å |
| 74 | M | 98.4 | Very high | 96 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 4% | 0.044 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.4 | 172.5 | -65.6 | -67.3 | -176.6 | 0 | 0 | 111 | W64 T72 M83 F84 F206 I207 V209 | W64-M74 HydrophobicContact CH2-CE 3.63Å; W64-M74 HydrophobicContact CZ3-CE 3.75Å; T72-M74 HydrophobicContact CG2-CE 4.04Å; M74-M83 HydrophobicContact CE-CB 4.04Å; M74-M83 HydrophobicContact CE-CG 4.43Å; M74-M83 HydrophobicContact SD-CB 3.94Å; M74-M83 HydrophobicContact SD-CG 4.18Å; M74-F84 WeakPolarHBondContact CE-O 3.1Å; M74-F206 HydrophobicContact CB-CD2 3.53Å; M74-F206 HydrophobicContact CB-CE2 3.7Å; M74-F206 HydrophobicContact CB-CG 4.15Å; M74-F206 HydrophobicContact CB-CZ 4.42Å; M74-F206 HydrophobicContact CG-CB 3.92Å; M74-F206 HydrophobicContact CG-CD1 3.94Å; M74-F206 HydrophobicContact CG-CD2 3.42Å; M74-F206 VanDerWaalsContact CG-CD2 3.42Å; M74-F206 HydrophobicContact CG-CE1 4.29Å; M74-F206 HydrophobicContact CG-CE2 3.84Å; M74-F206 HydrophobicContact CG-CG 3.49Å; M74-F206 VanDerWaalsContact CG-CG 3.49Å; M74-F206 HydrophobicContact CG-CZ 4.25Å; M74-I207 PolarHBondContact N-O 3.11Å; M74-V209 PolarHBondContact O-N 2.78Å |
| 75 | I | 97.8 | Very high | 96 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 127.5 | 177.9 | -64.7 | -74.9 | 0 | 0 | 0 | 110.4 | T77 R81 V209 Y212 | I75-T77 HydrophobicContact CG2-CG2 3.88Å; I75-R81 HydrophobicContact CB-CG 4.17Å; I75-R81 HydrophobicContact CG2-CG 4.1Å; I75-R81 VanDerWaalsContact O-CB 3.23Å; I75-R81 WeakPolarHBondContact O-CB 3.2Å; I75-R81 WeakPolarHBondContact O-CG 3.3Å; I75-V209 CarbonylContact C-O 3.58Å; I75-V209 VanDerWaalsContact CA-O 3.26Å; I75-V209 WeakPolarHBondContact CA-O 3.39Å; I75-V209 HydrophobicContact CD1-CG2 4.19Å; I75-Y212 HydrophobicContact CD1-CD1 3.96Å; I75-Y212 HydrophobicContact CD1-CD2 4.18Å; I75-Y212 HydrophobicContact CD1-CE1 3.95Å; I75-Y212 HydrophobicContact CD1-CE2 4.18Å; I75-Y212 HydrophobicContact CD1-CG 4.06Å; I75-Y212 HydrophobicContact CG1-CD1 4.09Å; I75-Y212 HydrophobicContact CG1-CD2 4.42Å; I75-Y212 HydrophobicContact CG1-CE1 3.55Å; I75-Y212 HydrophobicContact CG1-CE2 3.92Å; I75-Y212 HydrophobicContact CG1-CG 4.48Å; I75-Y212 VanDerWaalsContact CG1-CZ 3.43Å |
| 76 | I | 95.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 21% | 0.21 | 32% | 0.323 | C | S | . | . | trans | -108.7 | 143 | 169.4 | 59.3 | 167.9 | 0 | 0 | 0 | 111.2 | L168 A208 V209 T210 | I76-L168 WeakPolarHBondContact CD1-O 3.46Å; I76-L168 HydrophobicContact CG2-CB 4.42Å; I76-L168 HydrophobicContact CG2-CD1 4.38Å; I76-A208 HydrophobicContact CD1-CB 4.43Å; I76-A208 HydrophobicContact CG2-CB 4.11Å; I76-V209 WeakPolarHBondContact CG1-O 3.45Å; I76-V209 PolarHBondContact N-O 2.74Å; I76-T210 HydrophobicContact CG1-CG2 4.41Å | ||
| 77 | T | 93.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | trans | -144.8 | 160.3 | -180 | 73.6 | 0 | 0 | 0 | 0 | 110.8 | I75 A79 G80 R81 | I75-T77 HydrophobicContact CG2-CG2 3.88Å; T77-A79 VanDerWaalsContact C-N 3.32Å; T77-A79 PolarHBondContact O-N 3.35Å; T77-G80 PolarHBondContact O-N 3.18Å; T77-G80 VanDerWaalsContact OG1-C 3.22Å; T77-G80 PolarHBondContact OG1-N 3.4Å; T77-G80 VanDerWaalsContact OG1-N 3.13Å; T77-G80 PolarHBondContact OG1-O 2.73Å; T77-R81 HydrophobicContact CG2-CB 4.49Å | ||
| 78 | K | 89.6 | Confident | 95.5 | Very high | 209 Ų | 209 | 64.3 Ų | 64.3 | 91% | 0.909 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -42.1 | 176.8 | -173.3 | 177.3 | -179.1 | 179.3 | 0 | 112.8 | G80 Q165 | K78-G80 VanDerWaalsContact C-N 3.26Å; K78-G80 PolarHBondContact O-N 3.14Å; K78-Q165 PolarHBondContact O-NE2 3.31Å |
| 79 | A | 89.6 | Confident | 95.4 | Very high | 97 Ų | 97 | 63.7 Ų | 63.7 | 80% | 0.802 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | T77 | T77-A79 VanDerWaalsContact C-N 3.32Å; T77-A79 PolarHBondContact O-N 3.35Å |
| 80 | G | 90.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | trans | 82.4 | 159 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T77 K78 | T77-G80 PolarHBondContact O-N 3.18Å; T77-G80 VanDerWaalsContact OG1-C 3.22Å; T77-G80 PolarHBondContact OG1-N 3.4Å; T77-G80 VanDerWaalsContact OG1-N 3.13Å; T77-G80 PolarHBondContact OG1-O 2.73Å; K78-G80 VanDerWaalsContact C-N 3.26Å; K78-G80 PolarHBondContact O-N 3.14Å | ||
| 81 | R | 93.3 | Very high | 95.2 | Very high | 172 Ų | 172 | 65.4 Ų | 65.4 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | trans | -143.3 | 142.3 | 178.8 | -166.1 | 70.2 | 174.4 | 173.7 | -2.5 | 108.7 | I75 T77 | I75-R81 HydrophobicContact CB-CG 4.17Å; I75-R81 HydrophobicContact CG2-CG 4.1Å; I75-R81 VanDerWaalsContact O-CB 3.23Å; I75-R81 WeakPolarHBondContact O-CB 3.2Å; I75-R81 WeakPolarHBondContact O-CG 3.3Å; T77-R81 HydrophobicContact CG2-CB 4.49Å | ||
| 82 | R | 94.3 | Very high | 95 | Very high | 222 Ų | 222 | 66.6 Ų | 66.6 | 84% | 0.838 | 33% | 0.332 | S | S | * | . | trans | -77.1 | 136.4 | 171.5 | -65.2 | -180 | 179.4 | 172.1 | -0.8 | 108.9 | ||||
| 83 | M | 95.5 | Very high | 94.7 | Very high | 49 Ų | 49 | 68.8 Ų | 68.8 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | trans | -60.5 | 146 | 171.4 | -66.2 | -171.2 | -67 | 0 | 0 | 110.4 | M74 P85 M104 I106 F206 | M74-M83 HydrophobicContact CE-CB 4.04Å; M74-M83 HydrophobicContact CE-CG 4.43Å; M74-M83 HydrophobicContact SD-CB 3.94Å; M74-M83 HydrophobicContact SD-CG 4.18Å; M83-P85 CarbonylContact C-O 3.5Å; M83-M104 HydrophobicContact CE-CE 3.87Å; M83-M104 HydrophobicContact CE-SD 4.1Å; M83-I106 HydrophobicContact SD-CD1 4.33Å; M83-F206 HydrophobicContact SD-CE1 4.24Å | ||
| 84 | F | 97.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 71.2 Ų | 71.2 | 10% | 0.101 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -139.9 | 123.7 | 165.8 | -174.5 | -89.6 | 0 | 0 | 0 | 109.3 | L63 F67 M74 K221 N224 N225 | L63-F84 HydrophobicContact CD2-CZ 4.11Å; F67-F84 HydrophobicContact CE2-CD1 4.27Å; F67-F84 AromaticContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CZ-CD1 4.11Å; F67-F84 AromaticContact CZ-CE1 3.92Å; F67-F84 HydrophobicContact CZ-CE1 3.92Å; M74-F84 WeakPolarHBondContact CE-O 3.1Å; F84-K221 HydrophobicContact CD1-CD 3.85Å; F84-K221 PolarHBondContact O-NZ 2.99Å; F84-N224 HydrophobicContact CE1-CB 3.91Å; F84-N224 HydrophobicContact CZ-CB 3.87Å; F84-N224 WeakPolarHBondContact CZ-O 3.26Å; F84-N225 HydrophobicContact CD1-CB 3.92Å; F84-N225 HydrophobicContact CD2-CB 3.9Å; F84-N225 HydrophobicContact CE1-CB 3.84Å; F84-N225 HydrophobicContact CE2-CB 3.83Å; F84-N225 HydrophobicContact CG-CB 3.96Å; F84-N225 VanDerWaalsContact CZ-CA 3.49Å; F84-N225 HydrophobicContact CZ-CB 3.81Å |
| 85 | P | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | cis | -62.4 | 161.9 | 2.7 | -20.5 | 33.6 | 0 | 0 | 0 | 113.6 | L63 W64 F67 M83 | L63-P85 HydrophobicContact CD2-CB 4.11Å; L63-P85 HydrophobicContact CD2-CG 4Å; L63-P85 HydrophobicContact CG-CB 4.41Å; L63-P85 HydrophobicContact CG-CG 3.85Å; W64-P85 HydrophobicContact CD2-CB 4.13Å; W64-P85 HydrophobicContact CD2-CG 4.14Å; W64-P85 HydrophobicContact CE3-CG 4.43Å; W64-P85 HydrophobicContact CG-CB 4.49Å; W64-P85 HydrophobicContact CG-CG 4.47Å; W64-P85 HydrophobicContact CZ2-CB 3.99Å; W64-P85 VanDerWaalsContact CZ2-O 3.29Å; W64-P85 WeakPolarHBondContact CZ2-O 3.49Å; F67-P85 VanDerWaalsContact CD2-CD 3.5Å; F67-P85 HydrophobicContact CD2-CG 3.36Å; F67-P85 HydrophobicContact CE2-CG 3.55Å; F67-P85 HydrophobicContact CG-CG 4.36Å; M83-P85 CarbonylContact C-O 3.5Å |
| 86 | S | 95.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | trans | -75.9 | 127.9 | 178.8 | -65 | 0 | 0 | 0 | 0 | 109.7 | K88 | S86-K88 PolarHBondContact O-N 3.21Š| ||
| 87 | Y | 95.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 85.8 Ų | 85.8 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | trans | -70.4 | 105.3 | 172.4 | -166.9 | -85.4 | 0 | 0 | 0 | 109 | W64 V89 M104 P176 L178 F201 T204 | W64-Y87 HydrophobicContact CZ2-CD2 4.44Å; Y87-V89 HydrophobicContact CE1-CG1 4.04Å; Y87-M104 HydrophobicContact CD1-CG 4.47Å; Y87-M104 HydrophobicContact CD1-SD 3.74Å; Y87-M104 HydrophobicContact CE1-CG 4.35Å; Y87-M104 HydrophobicContact CE1-SD 4.19Å; Y87-M104 HydrophobicContact CG-SD 3.96Å; Y87-P176 HydrophobicContact CD2-CB 4Å; Y87-P176 HydrophobicContact CD2-CG 4.49Å; Y87-P176 HydrophobicContact CE2-CB 3.7Å; Y87-L178 HydrophobicContact CE1-CB 4.42Å; Y87-F201 HydrophobicContact CE2-CD2 4.29Å; Y87-T204 HydrophobicContact CD2-CG2 4.08Å; Y87-T204 HydrophobicContact CE2-CG2 3.95Å | ||
| 88 | K | 95 | Very high | 93.2 | Very high | 88 Ų | 88 | 84.2 Ų | 84.2 | 38% | 0.383 | 44% | 0.436 | S | S | . | . | trans | -132.9 | 138.7 | -174.9 | -71.5 | 171.4 | 175.8 | 178 | 0 | 108.4 | H59 E60 S86 | H59-K88 HydrophobicContact CB-CB 3.81Å; H59-K88 PolarHBondContact N-O 3.09Å; E60-K88 IonicContact OE1-NZ 3.3Å; E60-K88 PolarHBondContact OE1-NZ 3.42Å; S86-K88 PolarHBondContact O-N 3.21Å | ||
| 89 | V | 95.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 79 Ų | 79 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.7 | -179.2 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | V56 F57 Y87 V91 L178 F201 | V56-V89 HydrophobicContact CG1-CB 3.8Å; V56-V89 HydrophobicContact CG1-CG1 3.86Å; V56-V89 HydrophobicContact CG1-CG2 4.37Å; F57-V89 CarbonylContact O-C 3.59Å; F57-V89 VanDerWaalsContact O-CA 3.31Å; F57-V89 WeakPolarHBondContact O-CA 3.48Å; Y87-V89 HydrophobicContact CE1-CG1 4.04Å; V89-V91 HydrophobicContact CG2-CG2 4.25Å; V89-L178 HydrophobicContact CG1-CD2 4.44Å; V89-L178 HydrophobicContact CG2-CD1 4.43Å; V89-L178 HydrophobicContact CG2-CD2 3.98Å; V89-F201 HydrophobicContact CG1-CE2 3.9Å |
| 90 | K | 94.8 | Very high | 93.5 | Very high | 140 Ų | 140 | 76.2 Ų | 76.2 | 61% | 0.609 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128 | 162.5 | 178.7 | 179.7 | 179.2 | -179.9 | 0 | 108 | V56 F57 | V56-K90 WeakPolarHBondContact CA-O 3.27Å; F57-K90 HydrophobicContact CB-CB 4.43Å; F57-K90 PolarHBondContact N-O 2.96Å; F57-K90 PolarHBondContact O-N 3.46Å |
| 91 | V | 95.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 77.1 Ų | 77.1 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.6 | 176.9 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | I54 K55 V56 V89 L94 L102 I180 | I54-V91 HydrophobicContact CG2-CG1 3.98Å; K55-V91 WeakPolarHBondContact O-CA 3.14Å; V56-V91 HydrophobicContact CG1-CG2 4.43Å; V56-V91 HydrophobicContact CG2-CG1 4.24Å; V56-V91 HydrophobicContact CG2-CG2 4.25Å; V89-V91 HydrophobicContact CG2-CG2 4.25Å; V91-L94 HydrophobicContact CB-CD1 4.33Å; V91-L94 HydrophobicContact CG1-CD1 3.83Å; V91-L94 HydrophobicContact CG1-CD2 4.04Å; V91-L94 HydrophobicContact CG1-CG 3.81Å; V91-L102 HydrophobicContact CG2-CD2 4.41Å; V91-I180 HydrophobicContact CG1-CD1 3.92Å; V91-I180 HydrophobicContact CG2-CD1 4.43Å |
| 92 | T | 93.9 | Very high | 93.5 | Very high | 53 Ų | 53 | 69.4 Ų | 69.4 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 158.8 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | I54 K55 F57 | I54-T92 WeakPolarHBondContact CA-O 3.27Å; K55-T92 PolarHBondContact N-O 2.93Å; K55-T92 PolarHBondContact O-N 2.94Å; F57-T92 HydrophobicContact CE2-CG2 4.29Å |
| 93 | G | 91.6 | Very high | 93.4 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | trans | 81.8 | 11.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I54 | I54-G93 WeakPolarHBondContact CG1-O 3.39Š| ||
| 94 | L | 91.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 60.3 Ų | 60.3 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | trans | -71.3 | 140.9 | 166.4 | -59.9 | 174.1 | 0 | 0 | 0 | 109.8 | I54 V91 P96 Y100 I180 | I54-L94 HydrophobicContact CD1-CD2 3.8Å; I54-L94 HydrophobicContact CG1-CD2 4.05Å; I54-L94 HydrophobicContact CG2-CD2 4.17Å; V91-L94 HydrophobicContact CB-CD1 4.33Å; V91-L94 HydrophobicContact CG1-CD1 3.83Å; V91-L94 HydrophobicContact CG1-CD2 4.04Å; V91-L94 HydrophobicContact CG1-CG 3.81Å; L94-P96 WeakPolarHBondContact O-CD 3.26Å; L94-Y100 HydrophobicContact CB-CD2 4.37Å; L94-Y100 HydrophobicContact CB-CE2 3.86Å; L94-Y100 HydrophobicContact CD2-CD1 3.84Å; L94-Y100 HydrophobicContact CD2-CD2 4.1Å; L94-Y100 HydrophobicContact CD2-CE1 3.69Å; L94-Y100 HydrophobicContact CD2-CE2 3.99Å; L94-Y100 HydrophobicContact CD2-CG 4.03Å; L94-Y100 HydrophobicContact CG-CE2 4.43Å; L94-I180 HydrophobicContact CD2-CG2 4.26Å | ||
| 95 | N | 90.7 | Very high | 93 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 40% | 0.401 | 33% | 0.326 | S | S | . | . | trans | -74.4 | 119.3 | 172.5 | -179.8 | -15.9 | 0 | 0 | 0 | 109.5 | K97 T98 Y100 | N95-K97 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact OD1-N 3.19Å; N95-T98 PolarHBondContact ND2-OG1 2.98Å; N95-T98 PolarHBondContact O-N 3.43Å; N95-T98 VanDerWaalsContact O-N 3.12Å; N95-Y100 PolarHBondContact N-OH 2.67Å | ||
| 96 | P | 91.2 | Very high | 92.9 | Very high | 132 Ų | 132 | 62.7 Ų | 62.7 | 86% | 0.857 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.3 | -178.3 | -24.8 | 35.4 | 0 | 0 | 0 | 115.4 | L94 | L94-P96 WeakPolarHBondContact O-CD 3.26Š|
| 97 | K | 89.4 | Confident | 92.8 | Very high | 182 Ų | 182 | 62.2 Ų | 62.2 | 79% | 0.791 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -11.9 | -179.9 | -60.6 | -175.3 | 179.7 | -178.4 | 0 | 113.8 | N95 | N95-K97 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact OD1-N 3.19Å |
| 98 | T | 90.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -104.5 | 137.4 | -175.4 | -49.2 | 0 | 0 | 0 | 0 | 110.7 | N95 Y100 K182 A183 | N95-T98 PolarHBondContact ND2-OG1 2.98Å; N95-T98 PolarHBondContact O-N 3.43Å; N95-T98 VanDerWaalsContact O-N 3.12Å; T98-Y100 HydrophobicContact CG2-CE2 4.39Å; T98-Y100 WeakPolarHBondContact O-CD2 3.2Å; T98-Y100 VanDerWaalsContact O-CE2 3.26Å; T98-Y100 WeakPolarHBondContact O-CE2 3.47Å; T98-K182 HydrophobicContact CG2-CG 3.92Å; T98-A183 HydrophobicContact CG2-CB 4.13Å |
| 99 | K | 91.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 62.5 Ų | 62.5 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | trans | -73.2 | 148.8 | 170.3 | -68.7 | 166 | -157.5 | 155.3 | 0 | 110.8 | A183 N187 F189 | K99-A183 HydrophobicContact CB-CB 4Å; K99-A183 VanDerWaalsContact O-CB 3.25Å; K99-A183 WeakPolarHBondContact O-CB 3.11Å; K99-A183 PolarHBondContact O-N 3.43Å; K99-N187 WeakPolarHBondContact CB-OD1 3.5Å; K99-N187 WeakPolarHBondContact CD-OD1 3.2Å; K99-N187 WeakPolarHBondContact CE-ND2 3.5Å; K99-N187 WeakPolarHBondContact CG-OD1 3.34Å; K99-N187 PolarHBondContact N-OD1 2.99Å; K99-N187 PolarHBondContact NZ-O 2.8Å; K99-F189 HydrophobicContact CB-CE2 4.2Å; K99-F189 HydrophobicContact CB-CZ 3.81Å; K99-F189 HydrophobicContact CD-CE2 4.46Å | ||
| 100 | Y | 92.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.4 | 172.8 | -63.7 | -93.8 | 0 | 0 | 0 | 110.2 | I54 L94 N95 T98 I180 V181 K182 | I54-Y100 HydrophobicContact CD1-CE1 3.99Å; L94-Y100 HydrophobicContact CB-CD2 4.37Å; L94-Y100 HydrophobicContact CB-CE2 3.86Å; L94-Y100 HydrophobicContact CD2-CD1 3.84Å; L94-Y100 HydrophobicContact CD2-CD2 4.1Å; L94-Y100 HydrophobicContact CD2-CE1 3.69Å; L94-Y100 HydrophobicContact CD2-CE2 3.99Å; L94-Y100 HydrophobicContact CD2-CG 4.03Å; L94-Y100 HydrophobicContact CG-CE2 4.43Å; N95-Y100 PolarHBondContact N-OH 2.67Å; T98-Y100 HydrophobicContact CG2-CE2 4.39Å; T98-Y100 WeakPolarHBondContact O-CD2 3.2Å; T98-Y100 VanDerWaalsContact O-CE2 3.26Å; T98-Y100 WeakPolarHBondContact O-CE2 3.47Å; Y100-I180 HydrophobicContact CD1-CG2 3.72Å; Y100-I180 HydrophobicContact CE1-CG2 4.45Å; Y100-I180 HydrophobicContact CG-CG2 4.43Å; Y100-V181 CarbonylContact C-O 3.43Å; Y100-V181 VanDerWaalsContact CA-O 3.22Å; Y100-V181 WeakPolarHBondContact CA-O 3.38Å; Y100-K182 HydrophobicContact CD1-CB 3.98Å; Y100-K182 HydrophobicContact CD1-CG 4.28Å; Y100-K182 HydrophobicContact CE1-CB 3.7Å; Y100-K182 HydrophobicContact CE1-CD 4.39Å; Y100-K182 HydrophobicContact CE1-CG 3.63Å |
| 101 | I | 92.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.1 | 165.3 | -61.4 | 167.9 | 0 | 0 | 0 | 107.5 | L103 L161 V181 F189 | I101-L103 HydrophobicContact CB-CD1 4.44Å; I101-L103 HydrophobicContact CG2-CD1 3.75Å; I101-L103 HydrophobicContact CG2-CD2 4.42Å; I101-L103 HydrophobicContact CG2-CG 3.89Å; I101-L161 HydrophobicContact CG2-CD1 4.48Å; I101-V181 HydrophobicContact CB-CB 4.43Å; I101-V181 PolarHBondContact N-O 2.91Å; I101-V181 PolarHBondContact O-N 3.5Å; I101-F189 HydrophobicContact CD1-CD1 3.81Å; I101-F189 HydrophobicContact CD1-CD2 3.87Å; I101-F189 HydrophobicContact CD1-CE1 3.81Å; I101-F189 HydrophobicContact CD1-CE2 3.87Å; I101-F189 HydrophobicContact CD1-CG 3.84Å; I101-F189 HydrophobicContact CD1-CZ 3.84Å; I101-F189 HydrophobicContact CG1-CD1 4.31Å; I101-F189 HydrophobicContact CG1-CD2 4.48Å; I101-F189 HydrophobicContact CG1-CE1 3.78Å; I101-F189 HydrophobicContact CG1-CE2 3.97Å; I101-F189 HydrophobicContact CG1-CZ 3.59Å |
| 102 | L | 92.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.4 | 169.4 | -89.6 | 64.5 | 0 | 0 | 0 | 109.6 | V91 P158 L160 H179 I180 | V91-L102 HydrophobicContact CG2-CD2 4.41Å; L102-P158 HydrophobicContact CD1-CB 4.07Å; L102-P158 HydrophobicContact CD1-CG 4.25Å; L102-P158 HydrophobicContact CD2-CB 4.36Å; L102-P158 HydrophobicContact CD2-CG 3.8Å; L102-L160 HydrophobicContact CB-CD2 4.35Å; L102-H179 WeakPolarHBondContact CA-O 3.38Å; L102-I180 HydrophobicContact CD1-CG1 4.18Å; L102-I180 HydrophobicContact CD1-CG2 4.12Å; L102-I180 HydrophobicContact CG-CG1 4.15Å |
| 103 | L | 90.6 | Very high | 93 | Very high | 37 Ų | 37 | 64 Ų | 64 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.9 | 176 | -43.3 | 93.3 | 0 | 0 | 0 | 109.4 | I101 H179 V181 | I101-L103 HydrophobicContact CB-CD1 4.44Å; I101-L103 HydrophobicContact CG2-CD1 3.75Å; I101-L103 HydrophobicContact CG2-CD2 4.42Å; I101-L103 HydrophobicContact CG2-CG 3.89Å; L103-H179 HydrophobicContact CB-CB 4.28Å; L103-H179 HydrophobicContact CD1-CB 4.11Å; L103-H179 PolarHBondContact N-O 2.95Å; L103-H179 PolarHBondContact O-N 3.25Å; L103-V181 HydrophobicContact CD1-CG2 3.79Å |
| 104 | M | 92.3 | Very high | 93.3 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 21% | 0.207 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.3 | 168.6 | -168.2 | -165 | 79.4 | 0 | 0 | 108.4 | M83 Y87 I106 I166 R177 | M83-M104 HydrophobicContact CE-CE 3.87Å; M83-M104 HydrophobicContact CE-SD 4.1Å; Y87-M104 HydrophobicContact CD1-CG 4.47Å; Y87-M104 HydrophobicContact CD1-SD 3.74Å; Y87-M104 HydrophobicContact CE1-CG 4.35Å; Y87-M104 HydrophobicContact CE1-SD 4.19Å; Y87-M104 HydrophobicContact CG-SD 3.96Å; M104-I106 HydrophobicContact CE-CD1 4Å; M104-I106 HydrophobicContact CE-CG1 3.93Å; M104-I166 HydrophobicContact CE-CD1 4.2Å; M104-R177 VanDerWaalsContact CA-O 3.31Å; M104-R177 WeakPolarHBondContact CA-O 3.36Å; M104-R177 WeakPolarHBondContact CG-O 3.29Å |
| 105 | D | 92.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 171.9 | 164.7 | 86.9 | 5.6 | 0 | 0 | 0 | 110.8 | P176 R177 H179 | D105-P176 WeakPolarHBondContact O-CA 3.31Å; D105-R177 PolarHBondContact N-O 2.82Å; D105-R177 PolarHBondContact O-N 3.16Å; D105-R177 VanDerWaalsContact OD1-CB 3.3Å; D105-R177 WeakPolarHBondContact OD1-CB 3.47Å; D105-R177 VanDerWaalsContact OD1-CD 3.29Å; D105-R177 WeakPolarHBondContact OD1-CD 3.31Å; D105-R177 IonicContact OD1-NH1 3.52Å; D105-R177 IonicContact OD2-CZ 3.92Å; D105-R177 IonicContact OD2-NH1 2.73Å; D105-R177 PolarHBondContact OD2-NH1 3.04Å; D105-H179 IonicContact OD1-NE2 2.63Å; D105-H179 IonicContact OD2-NE2 2.73Å; D105-H179 PolarHBondContact OD2-NE2 3.3Å |
| 106 | I | 95.2 | Very high | 94 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 112.3 | 171.6 | -58.6 | -179.3 | 0 | 0 | 0 | 106.2 | M83 M104 I166 L168 Y174 F206 | M83-I106 HydrophobicContact SD-CD1 4.33Å; M104-I106 HydrophobicContact CE-CD1 4Å; M104-I106 HydrophobicContact CE-CG1 3.93Å; I106-I166 HydrophobicContact CB-CG2 4.41Å; I106-I166 HydrophobicContact CD1-CD1 3.81Å; I106-I166 HydrophobicContact CD1-CG2 4.44Å; I106-I166 HydrophobicContact CG1-CD1 3.9Å; I106-L168 HydrophobicContact CB-CD2 4.34Å; I106-L168 HydrophobicContact CG2-CD1 4.42Å; I106-L168 HydrophobicContact CG2-CD2 3.87Å; I106-Y174 HydrophobicContact CG2-CD1 3.96Å; I106-Y174 HydrophobicContact CG2-CG 4Å; I106-F206 HydrophobicContact CD1-CE1 4.43Å; I106-F206 HydrophobicContact CD1-CZ 4.26Å; I106-F206 HydrophobicContact CG2-CE1 4.33Å; I106-F206 HydrophobicContact CG2-CZ 4.12Å |
| 107 | V | 93.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 26% | 0.255 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 153.9 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | A109 Y174 Q175 R177 | V107-A109 PolarHBondContact O-N 2.94Å; V107-Y174 CarbonylContact O-C 3.57Å; V107-Y174 WeakPolarHBondContact O-CA 3.44Å; V107-Y174 WeakPolarHBondContact O-CD1 3.5Å; V107-Q175 HydrophobicContact CG2-CB 4.23Å; V107-Q175 PolarHBondContact N-O 3.5Å; V107-Q175 VanDerWaalsContact N-O 3.09Å; V107-Q175 PolarHBondContact O-N 3.01Å; V107-R177 HydrophobicContact CG2-CG 4.34Å |
| 108 | P | 95.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 137 | 165.2 | -22.3 | 33.6 | 0 | 0 | 0 | 110.4 | Y174 | P108-Y174 HydrophobicContact CG-CE1 4.22Å |
| 109 | A | 95.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -23.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V107 K173 Q175 | V107-A109 PolarHBondContact O-N 2.94Å; A109-K173 HydrophobicContact CB-CB 4.21Å; A109-K173 HydrophobicContact CB-CD 3.9Å; A109-K173 HydrophobicContact CB-CG 3.91Å; A109-K173 PolarHBondContact N-O 2.93Å; A109-Q175 HydrophobicContact CB-CB 4.37Å |
| 110 | D | 95.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 175.3 | 179.4 | 51.8 | 71 | 0 | 0 | 0 | 110.5 | H112 Y114 K173 | D110-H112 WeakPolarHBondContact OD1-CB 3.29Å; D110-H112 IonicContact OD1-CG 2.76Å; D110-H112 PolarHBondContact OD1-N 2.89Å; D110-H112 IonicContact OD1-ND1 3.18Å; D110-H112 PolarHBondContact OD1-ND1 2.73Å; D110-H112 VanDerWaalsContact OD1-ND1 3.15Å; D110-Y114 WeakPolarHBondContact OD1-CE2 3.3Å; D110-Y114 PolarHBondContact OD1-OH 2.89Å; D110-Y114 PolarHBondContact OD2-OH 2.91Å; D110-K173 WeakPolarHBondContact OD2-CD 3.39Å |
| 111 | D | 95.1 | Very high | 95.1 | Very high | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 36.6 | -177.2 | -165.1 | 6.9 | 0 | 0 | 0 | 111.6 | K126 A127 | D111-K126 WeakPolarHBondContact O-CA 3.39Å; D111-K126 WeakPolarHBondContact OD1-CE 3.44Å; D111-K126 WeakPolarHBondContact OD2-CE 3.42Å; D111-K126 IonicContact OD2-NZ 2.84Å; D111-K126 PolarHBondContact OD2-NZ 3.15Å; D111-A127 PolarHBondContact O-N 3.29Å |
| 112 | H | 96.1 | Very high | 95.3 | Very high | 77 Ų | 77 | 64.6 Ų | 64.6 | 36% | 0.356 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147.4 | -177.8 | -52.1 | 111 | 0 | 0 | 0 | 114.2 | D110 Y114 V123 H172 | D110-H112 WeakPolarHBondContact OD1-CB 3.29Å; D110-H112 IonicContact OD1-CG 2.76Å; D110-H112 PolarHBondContact OD1-N 2.89Å; D110-H112 IonicContact OD1-ND1 3.18Å; D110-H112 PolarHBondContact OD1-ND1 2.73Å; D110-H112 VanDerWaalsContact OD1-ND1 3.15Å; H112-Y114 HydrophobicContact CB-CD2 4.4Å; H112-Y114 HydrophobicContact CB-CE2 3.8Å; H112-V123 HydrophobicContact CB-CG1 4.02Å; H112-V123 HydrophobicContact CB-CG2 3.99Å; H112-H172 PolarHBondContact O-CD2 2.76Å; H112-H172 VanDerWaalsContact O-CD2 3.27Å |
| 113 | R | 96.9 | Very high | 95.5 | Very high | 98 Ų | 98 | 67.7 Ų | 67.7 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.4 | 165 | -170.9 | -176.2 | -159 | -100.8 | 10.5 | 109.1 | T124 G125 K126 E128 | R113-T124 HydrophobicContact CG-CG2 4.24Å; R113-T124 PolarHBondContact O-N 3.28Å; R113-G125 PolarHBondContact N-O 3.36Å; R113-G125 PolarHBondContact O-N 2.81Å; R113-K126 VanDerWaalsContact CB-O 3.31Å; R113-K126 WeakPolarHBondContact CB-O 3.24Å; R113-E128 IonicContact CZ-OE1 3.15Å; R113-E128 IonicContact NE-OE1 2.7Å; R113-E128 PolarHBondContact NE-OE1 2.85Å; R113-E128 IonicContact NH2-OE1 2.74Å; R113-E128 PolarHBondContact NH2-OE1 3.47Å |
| 114 | Y | 97.9 | Very high | 95.8 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 161.1 | -173.6 | -73.8 | -87.7 | 0 | 0 | 0 | 113.2 | D110 H112 W121 S122 V123 M171 K173 I207 | D110-Y114 WeakPolarHBondContact OD1-CE2 3.3Å; D110-Y114 PolarHBondContact OD1-OH 2.89Å; D110-Y114 PolarHBondContact OD2-OH 2.91Å; H112-Y114 HydrophobicContact CB-CD2 4.4Å; H112-Y114 HydrophobicContact CB-CE2 3.8Å; Y114-W121 HydrophobicContact CD1-CE3 4.49Å; Y114-W121 HydrophobicContact CG-CE3 4.47Å; Y114-S122 CarbonylContact C-O 3.56Å; Y114-S122 WeakPolarHBondContact CA-O 3.44Å; Y114-V123 HydrophobicContact CD1-CG2 4.27Å; Y114-V123 HydrophobicContact CE1-CG2 3.71Å; Y114-M171 WeakPolarHBondContact CB-O 3.49Å; Y114-M171 PolarHBondContact N-O 2.84Å; Y114-M171 WeakPolarHBondContact O-CB 3.27Å; Y114-K173 HydrophobicContact CD2-CB 4.37Å; Y114-K173 HydrophobicContact CE2-CB 3.81Å; Y114-I207 HydrophobicContact CD1-CD1 4.39Å; Y114-I207 HydrophobicContact CD2-CD1 4.43Å; Y114-I207 HydrophobicContact CG-CD1 4.16Å |
| 115 | K | 97.6 | Very high | 95.9 | Very high | 98 Ų | 98 | 68.8 Ų | 68.8 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.1 | 162.2 | 67.8 | -177.8 | 174.1 | -177.1 | 0 | 109.8 | S122 T124 | K115-S122 VanDerWaalsContact CE-OG 3.31Å; K115-S122 WeakPolarHBondContact CE-OG 3.23Å; K115-S122 WeakPolarHBondContact CG-OG 3.22Å; K115-S122 PolarHBondContact N-O 2.91Å; K115-S122 PolarHBondContact O-N 2.88Å; K115-S122 PolarHBondContact O-OG 3.16Å; K115-T124 HydrophobicContact CB-CG2 4.27Å; K115-T124 HydrophobicContact CG-CG2 4.49Å |
| 116 | F | 97.9 | Very high | 95.9 | Very high | 39 Ų | 39 | 73.6 Ų | 73.6 | 17% | 0.171 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.8 | 171.8 | -169.2 | -104 | 0 | 0 | 0 | 108.9 | N119 K120 W121 Q213 N214 | F116-N119 VanDerWaalsContact CE2-C 3.48Å; F116-N119 VanDerWaalsContact CZ-C 3.42Å; F116-N119 VanDerWaalsContact CZ-CA 3.49Å; F116-N119 HydrophobicContact CZ-CB 4.41Å; F116-K120 WeakPolarHBondContact CA-O 3.32Å; F116-W121 HydrophobicContact CB-CD2 4.24Å; F116-W121 HydrophobicContact CB-CE3 4.05Å; F116-W121 HydrophobicContact CB-CH2 4.17Å; F116-W121 HydrophobicContact CB-CZ2 4.3Å; F116-W121 HydrophobicContact CB-CZ3 4.04Å; F116-W121 AromaticContact CD2-CD1 3.79Å; F116-W121 AromaticContact CD2-CD2 3.77Å; F116-W121 HydrophobicContact CD2-CD2 3.77Å; F116-W121 AromaticContact CD2-CE2 3.7Å; F116-W121 HydrophobicContact CD2-CE3 4.41Å; F116-W121 AromaticContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CZ2 4.31Å; F116-W121 AromaticContact CD2-NE1 3.68Å; F116-W121 HydrophobicContact CE2-CG 4.46Å; F116-W121 AromaticContact CE2-NE1 4Å; F116-W121 HydrophobicContact CG-CD2 4.48Å; F116-Q213 HydrophobicContact CB-CB 3.66Å; F116-Q213 HydrophobicContact CB-CG 4.2Å; F116-Q213 HydrophobicContact CD1-CB 3.74Å; F116-Q213 WeakPolarHBondContact CE1-O 3.46Å; F116-Q213 HydrophobicContact CG-CB 3.74Å; F116-N214 HydrophobicContact CE1-CB 4.16Å; F116-N214 HydrophobicContact CE2-CB 3.89Å; F116-N214 HydrophobicContact CZ-CB 3.56Å |
| 117 | A | 96.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 73.4 Ų | 73.4 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 152.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | N119 K120 | A117-N119 PolarHBondContact O-N 3.23Å; A117-N119 VanDerWaalsContact O-N 3.13Å; A117-K120 PolarHBondContact N-O 2.95Å; A117-K120 CarbonylContact O-C 3.59Å; A117-K120 WeakPolarHBondContact O-CA 3.44Å; A117-K120 PolarHBondContact O-N 3.45Å |
| 118 | D | 94.7 | Very high | 95.3 | Very high | 160 Ų | 160 | 75.4 Ų | 75.4 | 86% | 0.856 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 37.4 | 175.8 | -45.1 | -43.5 | 0 | 0 | 0 | 113.6 | K120 | D118-K120 PolarHBondContact O-N 3.45Š|
| 119 | N | 94.4 | Very high | 94.5 | Very high | 110 Ų | 110 | 76.3 Ų | 76.3 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 22.1 | -171.4 | -67.2 | -63.5 | 0 | 0 | 0 | 115.5 | F116 A117 | F116-N119 VanDerWaalsContact CE2-C 3.48Å; F116-N119 VanDerWaalsContact CZ-C 3.42Å; F116-N119 VanDerWaalsContact CZ-CA 3.49Å; F116-N119 HydrophobicContact CZ-CB 4.41Å; A117-N119 PolarHBondContact O-N 3.23Å; A117-N119 VanDerWaalsContact O-N 3.13Å |
| 120 | K | 95.7 | Very high | 93.3 | Very high | 151 Ų | 151 | 77.4 Ų | 77.4 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138.3 | -173.1 | -172.9 | 174.9 | 179.4 | -179.9 | 0 | 112.4 | F116 A117 D118 | F116-K120 WeakPolarHBondContact CA-O 3.32Å; A117-K120 PolarHBondContact N-O 2.95Å; A117-K120 CarbonylContact O-C 3.59Å; A117-K120 WeakPolarHBondContact O-CA 3.44Å; A117-K120 PolarHBondContact O-N 3.45Å; D118-K120 PolarHBondContact O-N 3.45Å |
| 121 | W | 97.1 | Very high | 91.5 | Very high | 49 Ų | 49 | 81.1 Ų | 81.1 | 19% | 0.186 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.8 | 168 | -77.5 | 108.1 | 0 | 0 | 0 | 110.8 | E73 Y114 F116 M171 I207 V209 Q213 | E73-W121 HydrophobicContact CG-CZ2 3.94Å; Y114-W121 HydrophobicContact CD1-CE3 4.49Å; Y114-W121 HydrophobicContact CG-CE3 4.47Å; F116-W121 HydrophobicContact CB-CD2 4.24Å; F116-W121 HydrophobicContact CB-CE3 4.05Å; F116-W121 HydrophobicContact CB-CH2 4.17Å; F116-W121 HydrophobicContact CB-CZ2 4.3Å; F116-W121 HydrophobicContact CB-CZ3 4.04Å; F116-W121 AromaticContact CD2-CD1 3.79Å; F116-W121 AromaticContact CD2-CD2 3.77Å; F116-W121 HydrophobicContact CD2-CD2 3.77Å; F116-W121 AromaticContact CD2-CE2 3.7Å; F116-W121 HydrophobicContact CD2-CE3 4.41Å; F116-W121 AromaticContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CZ2 4.31Å; F116-W121 AromaticContact CD2-NE1 3.68Å; F116-W121 HydrophobicContact CE2-CG 4.46Å; F116-W121 AromaticContact CE2-NE1 4Å; F116-W121 HydrophobicContact CG-CD2 4.48Å; W121-M171 HydrophobicContact CH2-CE 3.87Å; W121-M171 HydrophobicContact CZ3-CE 3.7Å; W121-I207 HydrophobicContact CD2-CD1 3.55Å; W121-I207 HydrophobicContact CE3-CD1 3.67Å; W121-I207 HydrophobicContact CG-CD1 4.04Å; W121-I207 HydrophobicContact CH2-CB 4.33Å; W121-I207 HydrophobicContact CH2-CD1 4.14Å; W121-I207 HydrophobicContact CH2-CG2 3.72Å; W121-I207 HydrophobicContact CZ2-CB 4.37Å; W121-I207 HydrophobicContact CZ2-CD1 4.07Å; W121-I207 HydrophobicContact CZ2-CG2 4.25Å; W121-I207 HydrophobicContact CZ3-CD1 3.96Å; W121-I207 HydrophobicContact CZ3-CG2 4.04Å; W121-V209 HydrophobicContact CH2-CG1 4.01Å; W121-V209 HydrophobicContact CZ2-CG1 4.44Å; W121-Q213 HydrophobicContact CH2-CB 4.25Å; W121-Q213 HydrophobicContact CH2-CG 3.78Å; W121-Q213 HydrophobicContact CZ2-CB 4.06Å; W121-Q213 HydrophobicContact CZ2-CG 4.03Å |
| 122 | S | 97 | Very high | 89.1 | Confident | 40 Ų | 40 | 82.5 Ų | 82.5 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 148.5 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | Y114 K115 | Y114-S122 CarbonylContact C-O 3.56Å; Y114-S122 WeakPolarHBondContact CA-O 3.44Å; K115-S122 VanDerWaalsContact CE-OG 3.31Å; K115-S122 WeakPolarHBondContact CE-OG 3.23Å; K115-S122 WeakPolarHBondContact CG-OG 3.22Å; K115-S122 PolarHBondContact N-O 2.91Å; K115-S122 PolarHBondContact O-N 2.88Å; K115-S122 PolarHBondContact O-OG 3.16Å |
| 123 | V | 97.8 | Very high | 86.4 | Confident | 75 Ų | 75 | 82.6 Ų | 82.6 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 136.4 | 171 | 174.8 | 0 | 0 | 0 | 0 | 108.6 | H112 Y114 | H112-V123 HydrophobicContact CB-CG1 4.02Å; H112-V123 HydrophobicContact CB-CG2 3.99Å; Y114-V123 HydrophobicContact CD1-CG2 4.27Å; Y114-V123 HydrophobicContact CE1-CG2 3.71Å |
| 124 | T | 96.4 | Very high | 84 | Confident | 67 Ų | 67 | 86.7 Ų | 86.7 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | -0.4 | 178.6 | -162 | 0 | 0 | 0 | 0 | 113.9 | R113 K115 | R113-T124 HydrophobicContact CG-CG2 4.24Å; R113-T124 PolarHBondContact O-N 3.28Å; K115-T124 HydrophobicContact CB-CG2 4.27Å; K115-T124 HydrophobicContact CG-CG2 4.49Å |
| 125 | G | 93.3 | Very high | 81 | Confident | 34 Ų | 34 | 88.2 Ų | 88.2 | 35% | 0.351 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | -178.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R113 | R113-G125 PolarHBondContact N-O 3.36Å; R113-G125 PolarHBondContact O-N 2.81Å |
| 126 | K | 93.2 | Very high | 78.2 | Confident | 149 Ų | 149 | 88.9 Ų | 88.9 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 153.3 | 168.5 | -166.5 | 177.5 | -173.8 | -179.6 | 0 | 110.6 | D111 R113 | D111-K126 WeakPolarHBondContact O-CA 3.39Å; D111-K126 WeakPolarHBondContact OD1-CE 3.44Å; D111-K126 WeakPolarHBondContact OD2-CE 3.42Å; D111-K126 IonicContact OD2-NZ 2.84Å; D111-K126 PolarHBondContact OD2-NZ 3.15Å; R113-K126 VanDerWaalsContact CB-O 3.31Å; R113-K126 WeakPolarHBondContact CB-O 3.24Å |
| 127 | A | 89.9 | Confident | 74.9 | Confident | 21 Ų | 21 | 91.1 Ų | 91.1 | 17% | 0.174 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -59 | 144.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D111 H172 | D111-A127 PolarHBondContact O-N 3.29Å; A127-H172 VanDerWaalsContact CA-NE2 3.34Å; A127-H172 WeakPolarHBondContact CA-NE2 3.31Å; A127-H172 VanDerWaalsContact CB-CD2 3.5Å; A127-H172 WeakPolarHBondContact CB-CD2 3.36Å |
| 128 | E | 85.6 | Confident | 72.3 | Confident | 84 Ų | 84 | 96 Ų | 96 | 39% | 0.393 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -71 | 131.7 | 165.5 | -67.6 | 169.4 | -162.4 | 0 | 0 | 108.8 | R113 N169 H172 | R113-E128 IonicContact CZ-OE1 3.15Å; R113-E128 IonicContact NE-OE1 2.7Å; R113-E128 PolarHBondContact NE-OE1 2.85Å; R113-E128 IonicContact NH2-OE1 2.74Å; R113-E128 PolarHBondContact NH2-OE1 3.47Å; E128-N169 PolarHBondContact O-ND2 3.3Å; E128-H172 PolarHBondContact N-NE2 3.49Å |
| 129 | P | 80.6 | Confident | 69.5 | Low | 104 Ų | 104 | 90.8 Ų | 90.8 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 144 | 177.1 | -28.4 | 35.5 | 0 | 0 | 0 | 112.9 | M131 N169 | P129-M131 PolarHBondContact O-N 2.89Å; P129-N169 PolarHBondContact O-ND2 3.09Å; P129-N169 VanDerWaalsContact O-ND2 3.09Å |
| 130 | A | 70.6 | Confident | 66.7 | Low | 69 Ų | 69 | 96.5 Ų | 96.5 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 128.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | P132 | A130-P132 WeakPolarHBondContact O-CD 3.47Å; A130-P132 VanDerWaalsContact O-N 3.09Å |
| 131 | M | 57.7 | Low | 63.6 | Low | 117 Ų | 117 | 96.6 Ų | 96.6 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | trans | -41.1 | 110.8 | -168.5 | -76.6 | -64.6 | -70.9 | 0 | 0 | 113.9 | P129 G133 R134 | P129-M131 PolarHBondContact O-N 2.89Å; M131-G133 PolarHBondContact O-N 3.33Å; M131-R134 PolarHBondContact O-N 3.06Å | ||
| 132 | P | 43.4 | Very low | 61.1 | Low | 117 Ų | 117 | 101.7 Ų | 101.7 | 76% | 0.76 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 121.1 | 176.4 | -26.2 | 35.7 | 0 | 0 | 0 | 110.5 | A130 | A130-P132 WeakPolarHBondContact O-CD 3.47Å; A130-P132 VanDerWaalsContact O-N 3.09Å |
| 133 | G | 40.6 | Very low | 58.4 | Low | 79 Ų | 79 | 103 Ų | 103 | 81% | 0.814 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.2 | -14.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | M131 | M131-G133 PolarHBondContact O-N 3.33Š|
| 134 | R | 45.8 | Very low | 55.4 | Low | 184 Ų | 184 | 111.7 Ų | 111.7 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 2.9 | 168 | -82 | -163.5 | 173.6 | -153.1 | -2.2 | 116.2 | M131 S136 | M131-R134 PolarHBondContact O-N 3.06Å; R134-S136 PolarHBondContact O-N 3.5Å |
| 135 | A | 34.2 | Very low | 52.4 | Low | 66 Ų | 66 | 112.2 Ų | 112.2 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 117.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S137 | A135-S137 PolarHBondContact O-N 3.01Š|
| 136 | S | 39.1 | Very low | 49.9 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128.2 | 157.3 | 49.2 | 0 | 0 | 0 | 0 | 108 | R134 | R134-S136 PolarHBondContact O-N 3.5Š|
| 137 | S | 28.1 | Very low | 46.8 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.5 | -173.5 | 38.5 | 0 | 0 | 0 | 0 | 111.9 | A135 G139 | A135-S137 PolarHBondContact O-N 3.01Å; S137-G139 PolarHBondContact O-N 3.05Å |
| 138 | P | 42 | Very low | 43.9 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 93% | 0.929 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -76 | 67.2 | 174 | 32.6 | -35 | 0 | 0 | 0 | 110 | ||
| 139 | G | 36.8 | Very low | 41.2 | Very low | 49 Ų | 49 | 129 Ų | 129 | 51% | 0.505 | 75% | 0.746 | S | S | . | * | S | Bend | trans | 149.1 | 127.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S137 | S137-G139 PolarHBondContact O-N 3.05Š|
| 140 | R | 34.6 | Very low | 39.1 | Very low | 230 Ų | 230 | 130.1 Ų | 130.1 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | 70.2 | 158 | 167.2 | -55.5 | -170.6 | -178 | -145.4 | -1.2 | 117.8 | ||||
| 141 | D | 31.2 | Very low | 37.6 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 63.2 | 81.2 | 167.8 | -56.8 | -4.3 | 0 | 0 | 0 | 118.5 | G143 | D141-G143 PolarHBondContact O-N 3.29Š| ||
| 142 | V | 45 | Very low | 36.8 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 95% | 0.952 | 77% | 0.765 | S | S | * | * | trans | -49.8 | 123.2 | 144.1 | 175 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 143 | G | 39.5 | Very low | 36.4 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | 128.3 | 51.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | D141 | D141-G143 PolarHBondContact O-N 3.29Š| ||
| 144 | R | 36.1 | Very low | 36.2 | Very low | 258 Ų | 258 | 133.8 Ų | 133.8 | 97% | 0.974 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -153.4 | 148 | 149.1 | -111.8 | 165 | -161.8 | -132.2 | 1.2 | 112.2 | ||
| 145 | G | 33.9 | Very low | 35.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 94.5 | 35.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 146 | R | 39.3 | Very low | 36.1 | Very low | 191 Ų | 191 | 132 Ų | 132 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -127.8 | 106.2 | 161.9 | -69.4 | -171.9 | -176.1 | -101.3 | -1.9 | 111.4 | A148 | R146-A148 PolarHBondContact O-N 3.34Š| ||
| 147 | R | 28.8 | Very low | 35.9 | Very low | 237 Ų | 237 | 132.5 Ų | 132.5 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | trans | -74.5 | 110.3 | 173.5 | -176.2 | -179.2 | -176.6 | -170.1 | 1.9 | 108.6 | ||||
| 148 | A | 27.9 | Very low | 36.8 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -68.2 | 137.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R146 | R146-A148 PolarHBondContact O-N 3.34Š| ||
| 149 | V | 30.4 | Very low | 36.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | -138.2 | 109.7 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 150 | T | 35.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -81.9 | 143.7 | 164.2 | 39.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 151 | P | 39.6 | Very low | 37.6 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 58% | 0.584 | 74% | 0.743 | S | S | * | * | -134.3 | 164.2 | 104.6 | 37.6 | -29 | 0 | 0 | 0 | 113.5 | |||||
| 152 | S | 39.9 | Very low | 38.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -84.6 | 112.7 | 177.7 | 48.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 153 | I | 35.1 | Very low | 38.5 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 65% | 0.651 | 72% | 0.721 | S | S | * | * | trans | -138.3 | 141 | 175.7 | -63.5 | -175.7 | 0 | 0 | 0 | 107.8 | ||||
| 154 | P | 36.1 | Very low | 39.8 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -80.2 | 176 | -165 | 31.4 | -37.4 | 0 | 0 | 0 | 116.1 | G156 | P154-G156 PolarHBondContact O-N 2.94Š| ||
| 155 | T | 39.7 | Very low | 41.9 | Very low | 151 Ų | 151 | 118 Ų | 118 | 93% | 0.926 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -37.3 | 106.5 | -172.8 | -46.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 156 | G | 39.2 | Very low | 44.5 | Very low | 62 Ų | 62 | 117.4 Ų | 117.4 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 167.3 | 120 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P154 | P154-G156 PolarHBondContact O-N 2.94Š|
| 157 | C | 34.6 | Very low | 46.9 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 81% | 0.811 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 60 | 107.1 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 115.9 | F159 | C157-F159 PolarHBondContact O-N 3.08Š|
| 158 | P | 46.3 | Very low | 50 | Low | 64 Ų | 64 | 102.9 Ų | 102.9 | 42% | 0.416 | 63% | 0.626 | S | S | . | * | trans | -67.7 | 124.6 | 176.5 | 27.7 | -34.3 | 0 | 0 | 0 | 112.4 | L102 L160 | L102-P158 HydrophobicContact CD1-CB 4.07Å; L102-P158 HydrophobicContact CD1-CG 4.25Å; L102-P158 HydrophobicContact CD2-CB 4.36Å; L102-P158 HydrophobicContact CD2-CG 3.8Å; P158-L160 PolarHBondContact O-N 3.01Å | ||
| 159 | F | 42.3 | Very low | 53.1 | Low | 150 Ų | 150 | 99.1 Ų | 99.1 | 66% | 0.658 | 59% | 0.592 | S | S | * | * | trans | -40.1 | 112.9 | 178.2 | -62.2 | -99.1 | 0 | 0 | 0 | 114.4 | C157 | C157-F159 PolarHBondContact O-N 3.08Š| ||
| 160 | L | 43.5 | Very low | 56.3 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 67% | 0.665 | 57% | 0.569 | S | S | * | * | B | Isolated β-bridge | trans | -80.3 | 113.7 | 155.5 | -65.1 | 178.9 | 0 | 0 | 0 | 108 | L102 P158 | L102-L160 HydrophobicContact CB-CD2 4.35Å; P158-L160 PolarHBondContact O-N 3.01Å |
| 161 | L | 45 | Very low | 59.2 | Low | 92 Ų | 92 | 90.6 Ų | 90.6 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | trans | -59.1 | 151.2 | 168.7 | -70.2 | 172.2 | 0 | 0 | 0 | 110 | I101 V163 | I101-L161 HydrophobicContact CG2-CD1 4.48Å; L161-V163 PolarHBondContact O-N 3.07Å | ||
| 162 | P | 42.5 | Very low | 62 | Low | 124 Ų | 124 | 86.6 Ų | 86.6 | 81% | 0.805 | 51% | 0.513 | S | S | * | . | trans | -56.6 | 104.2 | 173.2 | -24.2 | 34.4 | 0 | 0 | 0 | 110.5 | P164 | P162-P164 WeakPolarHBondContact O-CD 3.17Š| ||
| 163 | V | 53.5 | Low | 64.7 | Low | 82 Ų | 82 | 84.4 Ų | 84.4 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | trans | -69.3 | 118 | -178.4 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | L161 I166 | L161-V163 PolarHBondContact O-N 3.07Å; V163-I166 HydrophobicContact CG1-CD1 4.03Å; V163-I166 HydrophobicContact CG1-CG1 4.08Å | ||
| 164 | P | 66.3 | Low | 67.7 | Low | 95 Ų | 95 | 79.1 Ų | 79.1 | 62% | 0.617 | 46% | 0.46 | S | S | * | . | trans | -61.2 | 142.9 | 175.1 | 27.3 | -34.1 | 0 | 0 | 0 | 108.9 | P162 I166 | P162-P164 WeakPolarHBondContact O-CD 3.17Å; P164-I166 PolarHBondContact O-N 3.32Å | ||
| 165 | Q | 80.8 | Confident | 70.7 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | trans | -50.2 | 110.4 | -177.3 | -179.1 | -179.8 | -13.8 | 0 | 0 | 110.7 | K78 I167 | K78-Q165 PolarHBondContact O-NE2 3.31Å; Q165-I167 PolarHBondContact O-N 2.85Å | ||
| 166 | I | 87.4 | Confident | 73.4 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 33% | 0.333 | 38% | 0.384 | S | S | . | . | trans | -70.8 | 127.2 | -179.5 | -56.4 | 179.1 | 0 | 0 | 0 | 107.7 | M104 I106 V163 P164 L168 | M104-I166 HydrophobicContact CE-CD1 4.2Å; I106-I166 HydrophobicContact CB-CG2 4.41Å; I106-I166 HydrophobicContact CD1-CD1 3.81Å; I106-I166 HydrophobicContact CD1-CG2 4.44Å; I106-I166 HydrophobicContact CG1-CD1 3.9Å; V163-I166 HydrophobicContact CG1-CD1 4.03Å; V163-I166 HydrophobicContact CG1-CG1 4.08Å; P164-I166 PolarHBondContact O-N 3.32Å; I166-L168 HydrophobicContact CG2-CD2 3.79Å; I166-L168 HydrophobicContact CG2-CG 4.19Å | ||
| 167 | I | 90.3 | Very high | 76.1 | Confident | 101 Ų | 101 | 67.8 Ų | 67.8 | 52% | 0.518 | 37% | 0.367 | S | S | . | . | trans | -95.9 | 128 | 176.9 | -56.6 | 179.5 | 0 | 0 | 0 | 107.5 | Q165 | Q165-I167 PolarHBondContact O-N 2.85Š| ||
| 168 | L | 93.3 | Very high | 79 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | trans | -127.6 | 144.2 | 178.8 | -56 | 176.1 | 0 | 0 | 0 | 108.3 | I76 I106 I166 Y174 F206 A208 | I76-L168 WeakPolarHBondContact CD1-O 3.46Å; I76-L168 HydrophobicContact CG2-CB 4.42Å; I76-L168 HydrophobicContact CG2-CD1 4.38Å; I106-L168 HydrophobicContact CB-CD2 4.34Å; I106-L168 HydrophobicContact CG2-CD1 4.42Å; I106-L168 HydrophobicContact CG2-CD2 3.87Å; I166-L168 HydrophobicContact CG2-CD2 3.79Å; I166-L168 HydrophobicContact CG2-CG 4.19Å; L168-Y174 HydrophobicContact CB-CD2 4.42Å; L168-Y174 HydrophobicContact CB-CE2 3.81Å; L168-Y174 HydrophobicContact CD1-CD2 4.26Å; L168-Y174 HydrophobicContact CD1-CE2 4.47Å; L168-Y174 HydrophobicContact CD2-CD1 3.8Å; L168-Y174 HydrophobicContact CD2-CD2 4.34Å; L168-Y174 HydrophobicContact CD2-CE1 3.69Å; L168-Y174 HydrophobicContact CD2-CE2 4.22Å; L168-Y174 HydrophobicContact CD2-CG 4.14Å; L168-Y174 HydrophobicContact CG-CE2 4.38Å; L168-F206 HydrophobicContact CD1-CE2 3.87Å; L168-F206 HydrophobicContact CD1-CZ 3.75Å; L168-A208 HydrophobicContact CB-CB 4.09Å; L168-A208 HydrophobicContact CD1-CB 4.24Å | ||
| 169 | N | 94.2 | Very high | 81.2 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | trans | -78.3 | 135.8 | 173.7 | -65.8 | -4.2 | 0 | 0 | 0 | 108.3 | E128 P129 H172 Y174 | E128-N169 PolarHBondContact O-ND2 3.3Å; P129-N169 PolarHBondContact O-ND2 3.09Å; P129-N169 VanDerWaalsContact O-ND2 3.09Å; N169-H172 WeakPolarHBondContact CB-ND1 3.32Å; N169-Y174 PolarHBondContact N-OH 3.31Å | ||
| 170 | S | 96.5 | Very high | 83.6 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 150.6 | 177.4 | -162.3 | 0 | 0 | 0 | 0 | 110.8 | H172 A208 T210 | S170-H172 VanDerWaalsContact C-N 3.27Å; S170-H172 PolarHBondContact O-CE1 3.24Å; S170-H172 PolarHBondContact O-N 3.14Å; S170-H172 PolarHBondContact O-ND1 3.41Å; S170-A208 CarbonylContact C-O 3.57Å; S170-T210 PolarHBondContact OG-N 3.3Å |
| 171 | M | 97.4 | Very high | 85.9 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 26.5 | -179.8 | -45.5 | -56.7 | -77 | 0 | 0 | 115 | Y114 W121 A208 V209 Q213 | Y114-M171 WeakPolarHBondContact CB-O 3.49Å; Y114-M171 PolarHBondContact N-O 2.84Å; Y114-M171 WeakPolarHBondContact O-CB 3.27Å; W121-M171 HydrophobicContact CH2-CE 3.87Å; W121-M171 HydrophobicContact CZ3-CE 3.7Å; M171-A208 WeakPolarHBondContact CA-O 3.23Å; M171-A208 PolarHBondContact N-O 2.79Å; M171-V209 HydrophobicContact SD-CG1 4.02Å; M171-Q213 HydrophobicContact CE-CG 4.27Å |
| 172 | H | 97.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 151 | 174.7 | -64.9 | 81.2 | 0 | 0 | 0 | 110.8 | H112 A127 E128 N169 S170 Y174 I207 A208 | H112-H172 PolarHBondContact O-CD2 2.76Å; H112-H172 VanDerWaalsContact O-CD2 3.27Å; A127-H172 VanDerWaalsContact CA-NE2 3.34Å; A127-H172 WeakPolarHBondContact CA-NE2 3.31Å; A127-H172 VanDerWaalsContact CB-CD2 3.5Å; A127-H172 WeakPolarHBondContact CB-CD2 3.36Å; E128-H172 PolarHBondContact N-NE2 3.49Å; N169-H172 WeakPolarHBondContact CB-ND1 3.32Å; S170-H172 VanDerWaalsContact C-N 3.27Å; S170-H172 PolarHBondContact O-CE1 3.24Å; S170-H172 PolarHBondContact O-N 3.14Å; S170-H172 PolarHBondContact O-ND1 3.41Å; H172-Y174 HydrophobicContact CB-CE2 3.68Å; H172-Y174 VanDerWaalsContact O-CD2 3.26Å; H172-Y174 WeakPolarHBondContact O-CD2 3.33Å; H172-Y174 WeakPolarHBondContact O-CE2 3.4Å; H172-I207 WeakPolarHBondContact O-CA 3.25Å; H172-A208 PolarHBondContact O-N 3.22Å |
| 173 | K | 98 | Very high | 90.4 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 138.5 | -178.3 | -163.5 | -167.6 | -178 | -172 | 0 | 111.3 | A109 D110 Y114 F206 I207 | A109-K173 HydrophobicContact CB-CB 4.21Å; A109-K173 HydrophobicContact CB-CD 3.9Å; A109-K173 HydrophobicContact CB-CG 3.91Å; A109-K173 PolarHBondContact N-O 2.93Å; D110-K173 WeakPolarHBondContact OD2-CD 3.39Å; Y114-K173 HydrophobicContact CD2-CB 4.37Å; Y114-K173 HydrophobicContact CE2-CB 3.81Å; K173-F206 CarbonylContact C-O 3.48Å; K173-F206 WeakPolarHBondContact CA-O 3.48Å; K173-I207 HydrophobicContact CB-CG1 4.12Å; K173-I207 HydrophobicContact CG-CG1 4.07Å |
| 174 | Y | 98.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 39 Ų | 39 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.6 | -172 | -69.1 | -75.4 | 0 | 0 | 0 | 112.6 | I106 V107 P108 L168 N169 H172 A205 F206 A208 | I106-Y174 HydrophobicContact CG2-CD1 3.96Å; I106-Y174 HydrophobicContact CG2-CG 4Å; V107-Y174 CarbonylContact O-C 3.57Å; V107-Y174 WeakPolarHBondContact O-CA 3.44Å; V107-Y174 WeakPolarHBondContact O-CD1 3.5Å; P108-Y174 HydrophobicContact CG-CE1 4.22Å; L168-Y174 HydrophobicContact CB-CD2 4.42Å; L168-Y174 HydrophobicContact CB-CE2 3.81Å; L168-Y174 HydrophobicContact CD1-CD2 4.26Å; L168-Y174 HydrophobicContact CD1-CE2 4.47Å; L168-Y174 HydrophobicContact CD2-CD1 3.8Å; L168-Y174 HydrophobicContact CD2-CD2 4.34Å; L168-Y174 HydrophobicContact CD2-CE1 3.69Å; L168-Y174 HydrophobicContact CD2-CE2 4.22Å; L168-Y174 HydrophobicContact CD2-CG 4.14Å; L168-Y174 HydrophobicContact CG-CE2 4.38Å; N169-Y174 PolarHBondContact N-OH 3.31Å; H172-Y174 HydrophobicContact CB-CE2 3.68Å; H172-Y174 VanDerWaalsContact O-CD2 3.26Å; H172-Y174 WeakPolarHBondContact O-CD2 3.33Å; H172-Y174 WeakPolarHBondContact O-CE2 3.4Å; Y174-A205 VanDerWaalsContact O-CA 3.25Å; Y174-A205 WeakPolarHBondContact O-CA 3.4Å; Y174-F206 HydrophobicContact CD2-CE2 4.22Å; Y174-F206 PolarHBondContact N-O 3.13Å; Y174-F206 PolarHBondContact O-N 3.48Å; Y174-A208 HydrophobicContact CD2-CB 3.84Å; Y174-A208 HydrophobicContact CE2-CB 3.72Å |
| 175 | Q | 97.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 113.9 | 176.4 | 177.2 | 61.1 | 70.7 | 0 | 0 | 109.7 | V107 A109 R177 V200 F201 T204 | V107-Q175 HydrophobicContact CG2-CB 4.23Å; V107-Q175 PolarHBondContact N-O 3.5Å; V107-Q175 VanDerWaalsContact N-O 3.09Å; V107-Q175 PolarHBondContact O-N 3.01Å; A109-Q175 HydrophobicContact CB-CB 4.37Å; Q175-R177 HydrophobicContact CG-CG 4.46Å; Q175-V200 HydrophobicContact CG-CG1 3.47Å; Q175-V200 VanDerWaalsContact CG-CG1 3.47Å; Q175-F201 PolarHBondContact NE2-O 3.38Å; Q175-T204 PolarHBondContact NE2-OG1 3.38Å |
| 176 | P | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 141.7 | 166.7 | -21.7 | 33.7 | 0 | 0 | 0 | 111.8 | Y87 D105 T204 F206 | Y87-P176 HydrophobicContact CD2-CB 4Å; Y87-P176 HydrophobicContact CD2-CG 4.49Å; Y87-P176 HydrophobicContact CE2-CB 3.7Å; D105-P176 WeakPolarHBondContact O-CA 3.31Å; P176-T204 WeakPolarHBondContact CD-O 3.35Å; P176-F206 HydrophobicContact CG-CD1 4.2Å; P176-F206 HydrophobicContact CG-CE1 3.92Å |
| 177 | R | 95.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 27% | 0.268 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.5 | 174.8 | -52.4 | 162.5 | 59 | -139.1 | 16.6 | 109.4 | M104 D105 V107 Q175 H179 T198 V200 | M104-R177 VanDerWaalsContact CA-O 3.31Å; M104-R177 WeakPolarHBondContact CA-O 3.36Å; M104-R177 WeakPolarHBondContact CG-O 3.29Å; D105-R177 PolarHBondContact N-O 2.82Å; D105-R177 PolarHBondContact O-N 3.16Å; D105-R177 VanDerWaalsContact OD1-CB 3.3Å; D105-R177 WeakPolarHBondContact OD1-CB 3.47Å; D105-R177 VanDerWaalsContact OD1-CD 3.29Å; D105-R177 WeakPolarHBondContact OD1-CD 3.31Å; D105-R177 IonicContact OD1-NH1 3.52Å; D105-R177 IonicContact OD2-CZ 3.92Å; D105-R177 IonicContact OD2-NH1 2.73Å; D105-R177 PolarHBondContact OD2-NH1 3.04Å; V107-R177 HydrophobicContact CG2-CG 4.34Å; Q175-R177 HydrophobicContact CG-CG 4.46Å; R177-H179 PolarHBondContact NH1-CE1 2.63Å; R177-T198 HydrophobicContact CB-CG2 4.06Å; R177-V200 HydrophobicContact CG-CG2 4.09Å |
| 178 | L | 95.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.5 | 171.4 | -179.4 | 77.9 | 0 | 0 | 0 | 109.1 | V56 Y87 V89 I180 T198 H199 | V56-L178 HydrophobicContact CB-CD2 4.5Å; V56-L178 HydrophobicContact CG1-CD2 3.61Å; V56-L178 HydrophobicContact CG2-CD2 4.11Å; Y87-L178 HydrophobicContact CE1-CB 4.42Å; V89-L178 HydrophobicContact CG1-CD2 4.44Å; V89-L178 HydrophobicContact CG2-CD1 4.43Å; V89-L178 HydrophobicContact CG2-CD2 3.98Å; L178-I180 HydrophobicContact CD2-CD1 4.33Å; L178-I180 HydrophobicContact CD2-CG1 4.29Å; L178-T198 CarbonylContact O-C 3.58Å; L178-T198 VanDerWaalsContact O-CA 3.27Å; L178-T198 WeakPolarHBondContact O-CA 3.37Å; L178-H199 PolarHBondContact N-O 3.39Å; L178-H199 PolarHBondContact O-N 2.84Å |
| 179 | H | 92.8 | Very high | 92.6 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.7 | 170.4 | -54.7 | -78.6 | 0 | 0 | 0 | 110.3 | L102 L103 D105 R177 C197 T198 | L102-H179 WeakPolarHBondContact CA-O 3.38Å; L103-H179 HydrophobicContact CB-CB 4.28Å; L103-H179 HydrophobicContact CD1-CB 4.11Å; L103-H179 PolarHBondContact N-O 2.95Å; L103-H179 PolarHBondContact O-N 3.25Å; D105-H179 IonicContact OD1-NE2 2.63Å; D105-H179 IonicContact OD2-NE2 2.73Å; D105-H179 PolarHBondContact OD2-NE2 3.3Å; R177-H179 PolarHBondContact NH1-CE1 2.63Å; H179-C197 WeakPolarHBondContact CA-O 3.18Å; H179-T198 VanDerWaalsContact CE1-CG2 3.44Å; H179-T198 WeakPolarHBondContact CE1-CG2 3.47Å; H179-T198 PolarHBondContact CE1-OG1 3.24Å; H179-T198 WeakPolarHBondContact ND1-CG2 3.29Å; H179-T198 PolarHBondContact ND1-OG1 3.18Å |
| 180 | I | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.4 | 169.1 | -56.5 | 173.1 | 0 | 0 | 0 | 106.3 | M51 I54 V56 V91 L94 Y100 L102 L178 F196 C197 | M51-I180 HydrophobicContact CE-CB 4.11Å; M51-I180 HydrophobicContact CE-CG2 3.87Å; I54-I180 HydrophobicContact CG2-CD1 3.8Å; V56-I180 HydrophobicContact CG2-CD1 3.82Å; V91-I180 HydrophobicContact CG1-CD1 3.92Å; V91-I180 HydrophobicContact CG2-CD1 4.43Å; L94-I180 HydrophobicContact CD2-CG2 4.26Å; Y100-I180 HydrophobicContact CD1-CG2 3.72Å; Y100-I180 HydrophobicContact CE1-CG2 4.45Å; Y100-I180 HydrophobicContact CG-CG2 4.43Å; L102-I180 HydrophobicContact CD1-CG1 4.18Å; L102-I180 HydrophobicContact CD1-CG2 4.12Å; L102-I180 HydrophobicContact CG-CG1 4.15Å; L178-I180 HydrophobicContact CD2-CD1 4.33Å; L178-I180 HydrophobicContact CD2-CG1 4.29Å; I180-F196 CarbonylContact O-C 3.54Å; I180-F196 VanDerWaalsContact O-CA 3.27Å; I180-F196 WeakPolarHBondContact O-CA 3.35Å; I180-C197 PolarHBondContact N-O 3.3Å; I180-C197 PolarHBondContact O-N 3.09Å |
| 181 | V | 92.5 | Very high | 91.3 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.7 | 174.9 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | Y100 I101 L103 F189 F196 | Y100-V181 CarbonylContact C-O 3.43Å; Y100-V181 VanDerWaalsContact CA-O 3.22Å; Y100-V181 WeakPolarHBondContact CA-O 3.38Å; I101-V181 HydrophobicContact CB-CB 4.43Å; I101-V181 PolarHBondContact N-O 2.91Å; I101-V181 PolarHBondContact O-N 3.5Å; L103-V181 HydrophobicContact CD1-CG2 3.79Å; V181-F189 HydrophobicContact CG1-CD1 4.25Å; V181-F196 HydrophobicContact CG2-CB 4.13Å |
| 182 | K | 91.5 | Very high | 90.5 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 24% | 0.243 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.1 | 179 | -176.2 | -173 | 173 | -170.2 | 0 | 109.4 | G50 M51 T98 Y100 T194 A195 | G50-K182 PolarHBondContact O-NZ 2.87Å; M51-K182 HydrophobicContact CE-CB 4.28Å; M51-K182 HydrophobicContact CG-CB 4.48Å; M51-K182 HydrophobicContact CG-CD 4.12Å; M51-K182 HydrophobicContact SD-CB 4.09Å; T98-K182 HydrophobicContact CG2-CG 3.92Å; Y100-K182 HydrophobicContact CD1-CB 3.98Å; Y100-K182 HydrophobicContact CD1-CG 4.28Å; Y100-K182 HydrophobicContact CE1-CB 3.7Å; Y100-K182 HydrophobicContact CE1-CD 4.39Å; Y100-K182 HydrophobicContact CE1-CG 3.63Å; K182-T194 WeakPolarHBondContact O-CB 3.26Å; K182-A195 HydrophobicContact CB-CB 4.45Å; K182-A195 HydrophobicContact CD-CB 4.48Å; K182-A195 PolarHBondContact N-O 2.87Å |
| 183 | A | 90.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | trans | -65.9 | 159.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T98 K99 G188 F189 | T98-A183 HydrophobicContact CG2-CB 4.13Å; K99-A183 HydrophobicContact CB-CB 4Å; K99-A183 VanDerWaalsContact O-CB 3.25Å; K99-A183 WeakPolarHBondContact O-CB 3.11Å; K99-A183 PolarHBondContact O-N 3.43Å; A183-G188 VanDerWaalsContact CA-O 3.23Å; A183-G188 WeakPolarHBondContact CA-O 3.48Å; A183-G188 VanDerWaalsContact CB-O 3.27Å; A183-G188 WeakPolarHBondContact CB-O 3.42Å; A183-F189 HydrophobicContact CB-CD1 4.21Å; A183-F189 HydrophobicContact CB-CE1 3.71Å; A183-F189 HydrophobicContact CB-CE2 4.39Å; A183-F189 HydrophobicContact CB-CZ 3.81Å | ||
| 184 | D | 89.1 | Confident | 89.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | trans | -74.2 | -178 | 169.5 | 57.6 | 37.4 | 0 | 0 | 0 | 112.5 | N186 N187 G188 S191 N193 T194 | D184-N186 VanDerWaalsContact C-N 3.29Å; D184-N186 PolarHBondContact O-N 3.35Å; D184-N186 PolarHBondContact OD1-N 3.44Å; D184-N187 VanDerWaalsContact O-CA 3.3Å; D184-N187 WeakPolarHBondContact O-CA 3.49Å; D184-N187 PolarHBondContact O-N 2.85Å; D184-N187 PolarHBondContact OD1-N 2.84Å; D184-N187 VanDerWaalsContact OD1-N 3.08Å; D184-G188 PolarHBondContact N-O 3.2Å; D184-G188 VanDerWaalsContact N-O 3.09Å; D184-G188 WeakPolarHBondContact OD1-CA 2.8Å; D184-G188 PolarHBondContact OD1-N 3.27Å; D184-S191 WeakPolarHBondContact CB-OG 3.37Å; D184-S191 VanDerWaalsContact OD2-CB 3.27Å; D184-S191 WeakPolarHBondContact OD2-CB 3.38Å; D184-S191 PolarHBondContact OD2-OG 3.07Å; D184-N193 HydrophobicContact CB-CB 4.12Å; D184-T194 HydrophobicContact CB-CG2 4.47Å | ||
| 185 | E | 86.7 | Confident | 88.7 | Confident | 181 Ų | 181 | 57.3 Ų | 57.3 | 85% | 0.846 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.7 | -179.1 | -64.6 | 173 | 177.6 | 0 | 0 | 112.6 | N187 | E185-N187 PolarHBondContact O-N 2.9Š|
| 186 | N | 86.7 | Confident | 88.2 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 81% | 0.813 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 4.1 | 170.8 | -58.2 | 103.2 | 0 | 0 | 0 | 112.6 | D184 G188 | D184-N186 VanDerWaalsContact C-N 3.29Å; D184-N186 PolarHBondContact O-N 3.35Å; D184-N186 PolarHBondContact OD1-N 3.44Å; N186-G188 PolarHBondContact O-N 3.22Å |
| 187 | N | 83.8 | Confident | 88 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 62.3 | 31.6 | 176.9 | -141.9 | -2.7 | 0 | 0 | 0 | 112.8 | K99 D184 E185 | K99-N187 WeakPolarHBondContact CB-OD1 3.5Å; K99-N187 WeakPolarHBondContact CD-OD1 3.2Å; K99-N187 WeakPolarHBondContact CE-ND2 3.5Å; K99-N187 WeakPolarHBondContact CG-OD1 3.34Å; K99-N187 PolarHBondContact N-OD1 2.99Å; K99-N187 PolarHBondContact NZ-O 2.8Å; D184-N187 VanDerWaalsContact O-CA 3.3Å; D184-N187 WeakPolarHBondContact O-CA 3.49Å; D184-N187 PolarHBondContact O-N 2.85Å; D184-N187 PolarHBondContact OD1-N 2.84Å; D184-N187 VanDerWaalsContact OD1-N 3.08Å; E185-N187 PolarHBondContact O-N 2.9Å |
| 188 | G | 84.5 | Confident | 87.9 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | trans | -105.5 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A183 D184 N186 | A183-G188 VanDerWaalsContact CA-O 3.23Å; A183-G188 WeakPolarHBondContact CA-O 3.48Å; A183-G188 VanDerWaalsContact CB-O 3.27Å; A183-G188 WeakPolarHBondContact CB-O 3.42Å; D184-G188 PolarHBondContact N-O 3.2Å; D184-G188 VanDerWaalsContact N-O 3.09Å; D184-G188 WeakPolarHBondContact OD1-CA 2.8Å; D184-G188 PolarHBondContact OD1-N 3.27Å; N186-G188 PolarHBondContact O-N 3.22Å | ||
| 189 | F | 87.6 | Confident | 87.8 | Confident | 85 Ų | 85 | 58 Ų | 58 | 37% | 0.373 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -132.2 | 141.5 | 179.9 | -63.1 | -77.9 | 0 | 0 | 0 | 110.8 | K99 I101 V181 A183 | K99-F189 HydrophobicContact CB-CE2 4.2Å; K99-F189 HydrophobicContact CB-CZ 3.81Å; K99-F189 HydrophobicContact CD-CE2 4.46Å; I101-F189 HydrophobicContact CD1-CD1 3.81Å; I101-F189 HydrophobicContact CD1-CD2 3.87Å; I101-F189 HydrophobicContact CD1-CE1 3.81Å; I101-F189 HydrophobicContact CD1-CE2 3.87Å; I101-F189 HydrophobicContact CD1-CG 3.84Å; I101-F189 HydrophobicContact CD1-CZ 3.84Å; I101-F189 HydrophobicContact CG1-CD1 4.31Å; I101-F189 HydrophobicContact CG1-CD2 4.48Å; I101-F189 HydrophobicContact CG1-CE1 3.78Å; I101-F189 HydrophobicContact CG1-CE2 3.97Å; I101-F189 HydrophobicContact CG1-CZ 3.59Å; V181-F189 HydrophobicContact CG1-CD1 4.25Å; A183-F189 HydrophobicContact CB-CD1 4.21Å; A183-F189 HydrophobicContact CB-CE1 3.71Å; A183-F189 HydrophobicContact CB-CE2 4.39Å; A183-F189 HydrophobicContact CB-CZ 3.81Å |
| 190 | G | 79.2 | Confident | 88 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 75% | 0.753 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 99.3 | 1.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 191 | S | 82.6 | Confident | 88.2 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -79.8 | 161.7 | 167.9 | 74 | 0 | 0 | 0 | 0 | 111.5 | D184 N193 T194 | D184-S191 WeakPolarHBondContact CB-OG 3.37Å; D184-S191 VanDerWaalsContact OD2-CB 3.27Å; D184-S191 WeakPolarHBondContact OD2-CB 3.38Å; D184-S191 PolarHBondContact OD2-OG 3.07Å; S191-N193 PolarHBondContact O-N 2.86Å; S191-N193 PolarHBondContact OG-N 2.86Å; S191-T194 PolarHBondContact O-N 2.8Å; S191-T194 VanDerWaalsContact O-N 3.15Å; S191-T194 PolarHBondContact O-OG1 3.33Å; S191-T194 VanDerWaalsContact O-OG1 3.05Å |
| 192 | K | 81 | Confident | 88.4 | Confident | 204 Ų | 204 | 56.8 Ų | 56.8 | 89% | 0.887 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.7 | 175.4 | 71.2 | -178.5 | -176.3 | 176 | 0 | 114.2 | ||
| 193 | N | 81.2 | Confident | 88.7 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -2.8 | -179.8 | -68.4 | 13.9 | 0 | 0 | 0 | 112.7 | D184 S191 A195 | D184-N193 HydrophobicContact CB-CB 4.12Å; S191-N193 PolarHBondContact O-N 2.86Å; S191-N193 PolarHBondContact OG-N 2.86Å; N193-A195 PolarHBondContact O-N 3.18Å |
| 194 | T | 86.7 | Confident | 89.1 | Confident | 30 Ų | 30 | 54 Ų | 54 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | trans | -76.5 | 116 | 174.7 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | K182 D184 S191 | K182-T194 WeakPolarHBondContact O-CB 3.26Å; D184-T194 HydrophobicContact CB-CG2 4.47Å; S191-T194 PolarHBondContact O-N 2.8Å; S191-T194 VanDerWaalsContact O-N 3.15Å; S191-T194 PolarHBondContact O-OG1 3.33Å; S191-T194 VanDerWaalsContact O-OG1 3.05Å | ||
| 195 | A | 87.6 | Confident | 89.5 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | trans | -85.9 | 152 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q48 M51 K182 N193 | Q48-A195 HydrophobicContact CB-CB 4.1Å; M51-A195 HydrophobicContact CG-CB 3.75Å; M51-A195 HydrophobicContact SD-CB 3.58Å; M51-A195 VanDerWaalsContact SD-CB 3.58Å; K182-A195 HydrophobicContact CB-CB 4.45Å; K182-A195 HydrophobicContact CD-CB 4.48Å; K182-A195 PolarHBondContact N-O 2.87Å; N193-A195 PolarHBondContact O-N 3.18Å | ||
| 196 | F | 88.9 | Confident | 90.1 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 40% | 0.395 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.4 | 165.7 | 69.2 | -104.8 | 0 | 0 | 0 | 112.1 | F46 Q48 M51 I180 V181 | F46-F196 HydrophobicContact CD1-CD2 4.39Å; F46-F196 AromaticContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CE1-CD2 4.39Å; F46-F196 AromaticContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CZ 4.12Å; Q48-F196 WeakPolarHBondContact CB-O 3.45Å; Q48-F196 WeakPolarHBondContact CG-O 3.37Å; Q48-F196 PolarHBondContact N-O 3.05Å; M51-F196 WeakPolarHBondContact SD-CA 3.43Å; I180-F196 CarbonylContact O-C 3.54Å; I180-F196 VanDerWaalsContact O-CA 3.27Å; I180-F196 WeakPolarHBondContact O-CA 3.35Å; V181-F196 HydrophobicContact CG2-CB 4.13Å |
| 197 | C | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 157.1 | 163 | 75.2 | 0 | 0 | 0 | 0 | 110.7 | F46 T47 M51 H179 I180 H199 | F46-C197 CarbonylContact O-C 3.6Å; F46-C197 WeakPolarHBondContact O-CA 3.46Å; F46-C197 WeakPolarHBondContact O-CB 3.34Å; T47-C197 HydrophobicContact CG2-CB 4.13Å; M51-C197 HydrophobicContact CE-CB 3.91Å; M51-C197 VanDerWaalsContact CE-SG 3.53Å; M51-C197 HydrophobicContact SD-CB 4.21Å; M51-C197 PolarHBondContact SD-N 2.94Å; H179-C197 WeakPolarHBondContact CA-O 3.18Å; I180-C197 PolarHBondContact N-O 3.3Å; I180-C197 PolarHBondContact O-N 3.09Å; C197-H199 PolarHBondContact SG-NE2 2.77Å |
| 198 | T | 93.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 125.1 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | A45 F46 R177 L178 H179 V200 | A45-T198 CarbonylContact C-O 3.48Å; A45-T198 VanDerWaalsContact CA-O 3.31Å; A45-T198 WeakPolarHBondContact CA-O 3.41Å; F46-T198 PolarHBondContact N-O 2.97Å; F46-T198 PolarHBondContact O-N 2.99Å; R177-T198 HydrophobicContact CB-CG2 4.06Å; L178-T198 CarbonylContact O-C 3.58Å; L178-T198 VanDerWaalsContact O-CA 3.27Å; L178-T198 WeakPolarHBondContact O-CA 3.37Å; H179-T198 VanDerWaalsContact CE1-CG2 3.44Å; H179-T198 WeakPolarHBondContact CE1-CG2 3.47Å; H179-T198 PolarHBondContact CE1-OG1 3.24Å; H179-T198 WeakPolarHBondContact ND1-CG2 3.29Å; H179-T198 PolarHBondContact ND1-OG1 3.18Å; T198-V200 HydrophobicContact CG2-CG2 4.47Å |
| 199 | H | 93.7 | Very high | 92 | Very high | 19 Ų | 19 | 35 Ų | 35 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.7 | 177.2 | -63 | -90 | 0 | 0 | 0 | 110.5 | V56 L178 C197 | V56-H199 HydrophobicContact CB-CB 4.42Å; V56-H199 VanDerWaalsContact CG2-CD2 3.42Å; V56-H199 WeakPolarHBondContact CG2-CD2 3.45Å; L178-H199 PolarHBondContact N-O 3.39Å; L178-H199 PolarHBondContact O-N 2.84Å; C197-H199 PolarHBondContact SG-NE2 2.77Å |
| 200 | V | 96.1 | Very high | 92.5 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.5 | -178.7 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | A44 Q175 R177 T198 P202 | A44-V200 HydrophobicContact CB-CB 4.32Å; A44-V200 HydrophobicContact CB-CG2 4.44Å; A44-V200 WeakPolarHBondContact O-CB 3.43Å; A44-V200 WeakPolarHBondContact O-CG2 3.49Å; A44-V200 PolarHBondContact O-N 3.42Å; Q175-V200 HydrophobicContact CG-CG1 3.47Å; Q175-V200 VanDerWaalsContact CG-CG1 3.47Å; R177-V200 HydrophobicContact CG-CG2 4.09Å; T198-V200 HydrophobicContact CG2-CG2 4.47Å; V200-P202 WeakPolarHBondContact O-CD 3.3Å |
| 201 | F | 97.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.022 | 19% | 0.19 | C | C | . | . | trans | -113.1 | 98.2 | 176.4 | -65.2 | -59.1 | 0 | 0 | 0 | 108.7 | Q43 V56 L58 Y87 V89 Q175 E203 T204 | Q43-F201 HydrophobicContact CG-CD1 4.23Å; V56-F201 HydrophobicContact CB-CZ 4.3Å; V56-F201 HydrophobicContact CG1-CE2 4.03Å; V56-F201 HydrophobicContact CG1-CZ 3.84Å; L58-F201 HydrophobicContact CB-CD1 4.15Å; L58-F201 HydrophobicContact CB-CD2 4.12Å; L58-F201 HydrophobicContact CB-CE1 4.15Å; L58-F201 HydrophobicContact CB-CE2 4.13Å; L58-F201 HydrophobicContact CB-CG 4.15Å; L58-F201 HydrophobicContact CB-CZ 4.15Å; L58-F201 HydrophobicContact CD1-CD2 4.07Å; L58-F201 HydrophobicContact CD1-CE2 4.48Å; L58-F201 HydrophobicContact CD2-CB 4.24Å; L58-F201 HydrophobicContact CD2-CG 4.3Å; Y87-F201 HydrophobicContact CE2-CD2 4.29Å; V89-F201 HydrophobicContact CG1-CE2 3.9Å; Q175-F201 PolarHBondContact NE2-O 3.38Å; F201-E203 VanDerWaalsContact CA-OE2 3.24Å; F201-E203 WeakPolarHBondContact CA-OE2 3.31Å; F201-E203 HydrophobicContact CB-CG 4.46Å; F201-E203 WeakPolarHBondContact CB-OE2 3.43Å; F201-E203 PolarHBondContact O-N 2.94Å; F201-T204 HydrophobicContact CB-CG2 3.72Å; F201-T204 WeakPolarHBondContact O-CB 3.31Å; F201-T204 PolarHBondContact O-N 2.73Å; F201-T204 PolarHBondContact O-OG1 3.44Å | ||
| 202 | P | 97.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -57 | -29.3 | -179.1 | -28 | 37.9 | 0 | 0 | 0 | 113.9 | P39 P42 H68 V200 T204 A205 | P39-P202 HydrophobicContact CB-CB 3.96Å; P39-P202 HydrophobicContact CG-CB 4.2Å; P42-P202 WeakPolarHBondContact O-CG 3.45Å; H68-P202 PolarHBondContact CE1-O 3.13Å; H68-P202 PolarHBondContact ND1-O 2.92Å; V200-P202 WeakPolarHBondContact O-CD 3.3Å; P202-T204 PolarHBondContact O-N 2.92Å; P202-A205 WeakPolarHBondContact O-CB 3.35Å; P202-A205 PolarHBondContact O-N 3.01Å; P202-A205 VanDerWaalsContact O-N 3.14Å |
| 203 | E | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -64.2 | -17.2 | 173.1 | 59.4 | -89.6 | -104.7 | 0 | 0 | 113.5 | P39 Q43 L58 R61 W64 L65 F201 | P39-E203 HydrophobicContact CG-CB 4.43Å; Q43-E203 PolarHBondContact NE2-OE1 2.92Å; L58-E203 HydrophobicContact CD2-CG 3.7Å; R61-E203 IonicContact CZ-OE1 3.15Å; R61-E203 IonicContact NE-OE1 3.71Å; R61-E203 PolarHBondContact NE-OE1 3.05Å; R61-E203 IonicContact NH2-OE1 3.62Å; R61-E203 PolarHBondContact NH2-OE1 2.84Å; W64-E203 HydrophobicContact CB-CG 4.44Å; L65-E203 HydrophobicContact CD2-CB 3.8Å; L65-E203 HydrophobicContact CD2-CG 4.49Å; L65-E203 HydrophobicContact CG-CB 4.42Å; F201-E203 VanDerWaalsContact CA-OE2 3.24Å; F201-E203 WeakPolarHBondContact CA-OE2 3.31Å; F201-E203 HydrophobicContact CB-CG 4.46Å; F201-E203 WeakPolarHBondContact CB-OE2 3.43Å; F201-E203 PolarHBondContact O-N 2.94Å |
| 204 | T | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -91.6 | -1.3 | 175.8 | 68.8 | 0 | 0 | 0 | 0 | 114.2 | L58 W64 Y87 Q175 P176 F201 P202 | L58-T204 HydrophobicContact CD1-CG2 3.83Å; L58-T204 HydrophobicContact CD2-CG2 3.5Å; L58-T204 VanDerWaalsContact CD2-CG2 3.5Å; L58-T204 HydrophobicContact CG-CG2 4.34Å; W64-T204 HydrophobicContact CD2-CG2 3.79Å; W64-T204 HydrophobicContact CE3-CG2 3.86Å; W64-T204 HydrophobicContact CG-CG2 4.25Å; W64-T204 HydrophobicContact CH2-CG2 4.37Å; W64-T204 HydrophobicContact CZ2-CG2 4.32Å; W64-T204 HydrophobicContact CZ3-CG2 4.14Å; Y87-T204 HydrophobicContact CD2-CG2 4.08Å; Y87-T204 HydrophobicContact CE2-CG2 3.95Å; Q175-T204 PolarHBondContact NE2-OG1 3.38Å; P176-T204 WeakPolarHBondContact CD-O 3.35Å; F201-T204 HydrophobicContact CB-CG2 3.72Å; F201-T204 WeakPolarHBondContact O-CB 3.31Å; F201-T204 PolarHBondContact O-N 2.73Å; F201-T204 PolarHBondContact O-OG1 3.44Å; P202-T204 PolarHBondContact O-N 2.92Å |
| 205 | A | 98.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | trans | -62.6 | 142.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T72 Y174 P202 | T72-A205 WeakPolarHBondContact CB-O 3.47Å; T72-A205 PolarHBondContact OG1-O 3.28Å; Y174-A205 VanDerWaalsContact O-CA 3.25Å; Y174-A205 WeakPolarHBondContact O-CA 3.4Å; P202-A205 WeakPolarHBondContact O-CB 3.35Å; P202-A205 PolarHBondContact O-N 3.01Å; P202-A205 VanDerWaalsContact O-N 3.14Å | ||
| 206 | F | 98.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 162.6 | -175.6 | 68.8 | -95.9 | 0 | 0 | 0 | 112.7 | T72 M74 M83 I106 L168 K173 Y174 P176 A208 | T72-F206 HydrophobicContact CG2-CB 3.66Å; T72-F206 CarbonylContact O-C 3.48Å; T72-F206 WeakPolarHBondContact O-CA 3.5Å; T72-F206 WeakPolarHBondContact O-CB 3.38Å; M74-F206 HydrophobicContact CB-CD2 3.53Å; M74-F206 HydrophobicContact CB-CE2 3.7Å; M74-F206 HydrophobicContact CB-CG 4.15Å; M74-F206 HydrophobicContact CB-CZ 4.42Å; M74-F206 HydrophobicContact CG-CB 3.92Å; M74-F206 HydrophobicContact CG-CD1 3.94Å; M74-F206 HydrophobicContact CG-CD2 3.42Å; M74-F206 VanDerWaalsContact CG-CD2 3.42Å; M74-F206 HydrophobicContact CG-CE1 4.29Å; M74-F206 HydrophobicContact CG-CE2 3.84Å; M74-F206 HydrophobicContact CG-CG 3.49Å; M74-F206 VanDerWaalsContact CG-CG 3.49Å; M74-F206 HydrophobicContact CG-CZ 4.25Å; M83-F206 HydrophobicContact SD-CE1 4.24Å; I106-F206 HydrophobicContact CD1-CE1 4.43Å; I106-F206 HydrophobicContact CD1-CZ 4.26Å; I106-F206 HydrophobicContact CG2-CE1 4.33Å; I106-F206 HydrophobicContact CG2-CZ 4.12Å; L168-F206 HydrophobicContact CD1-CE2 3.87Å; L168-F206 HydrophobicContact CD1-CZ 3.75Å; K173-F206 CarbonylContact C-O 3.48Å; K173-F206 WeakPolarHBondContact CA-O 3.48Å; Y174-F206 HydrophobicContact CD2-CE2 4.22Å; Y174-F206 PolarHBondContact N-O 3.13Å; Y174-F206 PolarHBondContact O-N 3.48Å; P176-F206 HydrophobicContact CG-CD1 4.2Å; P176-F206 HydrophobicContact CG-CE1 3.92Å; F206-A208 HydrophobicContact CE2-CB 4.17Å |
| 207 | I | 98.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.4 | 166.9 | -62.4 | 174 | 0 | 0 | 0 | 109 | T72 E73 M74 Y114 W121 H172 K173 V209 | T72-I207 PolarHBondContact O-N 2.94Å; E73-I207 WeakPolarHBondContact CA-O 3.34Å; M74-I207 PolarHBondContact N-O 3.11Å; Y114-I207 HydrophobicContact CD1-CD1 4.39Å; Y114-I207 HydrophobicContact CD2-CD1 4.43Å; Y114-I207 HydrophobicContact CG-CD1 4.16Å; W121-I207 HydrophobicContact CD2-CD1 3.55Å; W121-I207 HydrophobicContact CE3-CD1 3.67Å; W121-I207 HydrophobicContact CG-CD1 4.04Å; W121-I207 HydrophobicContact CH2-CB 4.33Å; W121-I207 HydrophobicContact CH2-CD1 4.14Å; W121-I207 HydrophobicContact CH2-CG2 3.72Å; W121-I207 HydrophobicContact CZ2-CB 4.37Å; W121-I207 HydrophobicContact CZ2-CD1 4.07Å; W121-I207 HydrophobicContact CZ2-CG2 4.25Å; W121-I207 HydrophobicContact CZ3-CD1 3.96Å; W121-I207 HydrophobicContact CZ3-CG2 4.04Å; H172-I207 WeakPolarHBondContact O-CA 3.25Å; K173-I207 HydrophobicContact CB-CG1 4.12Å; K173-I207 HydrophobicContact CG-CG1 4.07Å; I207-V209 HydrophobicContact CG2-CG1 4.02Å |
| 208 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I76 L168 S170 M171 H172 Y174 F206 | I76-A208 HydrophobicContact CD1-CB 4.43Å; I76-A208 HydrophobicContact CG2-CB 4.11Å; L168-A208 HydrophobicContact CB-CB 4.09Å; L168-A208 HydrophobicContact CD1-CB 4.24Å; S170-A208 CarbonylContact C-O 3.57Å; M171-A208 WeakPolarHBondContact CA-O 3.23Å; M171-A208 PolarHBondContact N-O 2.79Å; H172-A208 PolarHBondContact O-N 3.22Å; Y174-A208 HydrophobicContact CD2-CB 3.84Å; Y174-A208 HydrophobicContact CE2-CB 3.72Å; F206-A208 HydrophobicContact CE2-CB 4.17Å |
| 209 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 151 | -176 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | E73 M74 I75 I76 W121 M171 I207 S211 Y212 Q213 | E73-V209 HydrophobicContact CB-CG2 3.99Å; E73-V209 HydrophobicContact CG-CG1 4.49Å; M74-V209 PolarHBondContact O-N 2.78Å; I75-V209 CarbonylContact C-O 3.58Å; I75-V209 VanDerWaalsContact CA-O 3.26Å; I75-V209 WeakPolarHBondContact CA-O 3.39Å; I75-V209 HydrophobicContact CD1-CG2 4.19Å; I76-V209 WeakPolarHBondContact CG1-O 3.45Å; I76-V209 PolarHBondContact N-O 2.74Å; W121-V209 HydrophobicContact CH2-CG1 4.01Å; W121-V209 HydrophobicContact CZ2-CG1 4.44Å; M171-V209 HydrophobicContact SD-CG1 4.02Å; I207-V209 HydrophobicContact CG2-CG1 4.02Å; V209-S211 VanDerWaalsContact CB-O 3.31Å; V209-S211 WeakPolarHBondContact CB-O 3.21Å; V209-S211 VanDerWaalsContact CG2-O 3.23Å; V209-S211 WeakPolarHBondContact CG2-O 3.37Å; V209-Y212 HydrophobicContact CG2-CD1 4.49Å; V209-Q213 HydrophobicContact CG1-CG 4.08Å |
| 210 | T | 97.6 | Very high | 97.8 | Very high | 95 Ų | 95 | 36.7 Ų | 36.7 | 58% | 0.583 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -81.1 | -30 | 174.7 | 41.2 | 0 | 0 | 0 | 0 | 112.8 | I76 S170 | I76-T210 HydrophobicContact CG1-CG2 4.41Å; S170-T210 PolarHBondContact OG-N 3.3Å |
| 211 | S | 97.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -139.4 | 154.7 | 171 | 54.9 | 0 | 0 | 0 | 0 | 109 | V209 Q213 | V209-S211 VanDerWaalsContact CB-O 3.31Å; V209-S211 WeakPolarHBondContact CB-O 3.21Å; V209-S211 VanDerWaalsContact CG2-O 3.23Å; V209-S211 WeakPolarHBondContact CG2-O 3.37Å; S211-Q213 PolarHBondContact O-NE2 3Å; S211-Q213 PolarHBondContact OG-NE2 3.16Å |
| 212 | Y | 98.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 36.8 Ų | 36.8 | 28% | 0.275 | 19% | 0.189 | S | C | . | . | trans | -64.6 | 140.8 | 176.6 | -65.6 | -56.8 | 0 | 0 | 0 | 110.9 | E73 I75 V209 I217 T218 K221 | E73-Y212 HydrophobicContact CB-CD1 4.06Å; E73-Y212 HydrophobicContact CB-CE1 4.4Å; E73-Y212 WeakPolarHBondContact OE2-CA 3.35Å; I75-Y212 HydrophobicContact CD1-CD1 3.96Å; I75-Y212 HydrophobicContact CD1-CD2 4.18Å; I75-Y212 HydrophobicContact CD1-CE1 3.95Å; I75-Y212 HydrophobicContact CD1-CE2 4.18Å; I75-Y212 HydrophobicContact CD1-CG 4.06Å; I75-Y212 HydrophobicContact CG1-CD1 4.09Å; I75-Y212 HydrophobicContact CG1-CD2 4.42Å; I75-Y212 HydrophobicContact CG1-CE1 3.55Å; I75-Y212 HydrophobicContact CG1-CE2 3.92Å; I75-Y212 HydrophobicContact CG1-CG 4.48Å; I75-Y212 VanDerWaalsContact CG1-CZ 3.43Å; V209-Y212 HydrophobicContact CG2-CD1 4.49Å; Y212-I217 HydrophobicContact CD1-CG2 4.09Å; Y212-I217 HydrophobicContact CE1-CG2 4.19Å; Y212-T218 VanDerWaalsContact CB-OG1 3.26Å; Y212-T218 WeakPolarHBondContact CB-OG1 3.39Å; Y212-T218 HydrophobicContact CD2-CG2 4.26Å; Y212-K221 HydrophobicContact CE1-CD 4.32Å; Y212-K221 VanDerWaalsContact CE1-CE 3.5Å; Y212-K221 HydrophobicContact CE1-CG 4.11Å; Y212-K221 HydrophobicContact CE2-CG 4.14Å; Y212-K221 WeakPolarHBondContact OH-CD 3.27Å; Y212-K221 WeakPolarHBondContact OH-CE 3.35Å; Y212-K221 WeakPolarHBondContact OH-CG 3.2Å | ||
| 213 | Q | 98.4 | Very high | 97.8 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 29% | 0.29 | 21% | 0.209 | S | C | . | . | trans | -102.6 | -50.1 | -178.8 | -51 | -65.1 | -71.8 | 0 | 0 | 110.2 | E73 F116 W121 M171 V209 S211 | E73-Q213 PolarHBondContact OE2-N 3.47Å; F116-Q213 HydrophobicContact CB-CB 3.66Å; F116-Q213 HydrophobicContact CB-CG 4.2Å; F116-Q213 HydrophobicContact CD1-CB 3.74Å; F116-Q213 WeakPolarHBondContact CE1-O 3.46Å; F116-Q213 HydrophobicContact CG-CB 3.74Å; W121-Q213 HydrophobicContact CH2-CB 4.25Å; W121-Q213 HydrophobicContact CH2-CG 3.78Å; W121-Q213 HydrophobicContact CZ2-CB 4.06Å; W121-Q213 HydrophobicContact CZ2-CG 4.03Å; M171-Q213 HydrophobicContact CE-CG 4.27Å; V209-Q213 HydrophobicContact CG1-CG 4.08Å; S211-Q213 PolarHBondContact O-NE2 3Å; S211-Q213 PolarHBondContact OG-NE2 3.16Å | ||
| 214 | N | 97.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | trans | -86.7 | 113.5 | 177 | -172.4 | -10.3 | 0 | 0 | 0 | 111.1 | V70 E73 F116 K216 I217 T218 | V70-N214 WeakPolarHBondContact CG1-ND2 3.49Å; V70-N214 PolarHBondContact O-ND2 3.19Å; E73-N214 WeakPolarHBondContact OE1-CB 3.37Å; E73-N214 PolarHBondContact OE1-N 3.48Å; F116-N214 HydrophobicContact CE1-CB 4.16Å; F116-N214 HydrophobicContact CE2-CB 3.89Å; F116-N214 HydrophobicContact CZ-CB 3.56Å; N214-K216 PolarHBondContact O-N 3.3Å; N214-K216 VanDerWaalsContact O-N 3.11Å; N214-K216 WeakPolarHBondContact OD1-CB 3.23Å; N214-K216 PolarHBondContact OD1-N 2.87Å; N214-I217 HydrophobicContact CB-CB 4.47Å; N214-I217 HydrophobicContact CB-CG1 3.99Å; N214-I217 WeakPolarHBondContact O-CB 3.44Å; N214-I217 PolarHBondContact O-N 2.97Å; N214-T218 PolarHBondContact O-N 3.26Å | ||
| 215 | H | 96.9 | Very high | 97.7 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 47% | 0.468 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.8 | -29.5 | 177.7 | 65.9 | -91.9 | 0 | 0 | 0 | 113.4 | I217 T218 Q219 | H215-I217 VanDerWaalsContact C-N 3.32Å; H215-I217 PolarHBondContact O-N 3.09Å; H215-T218 WeakPolarHBondContact O-CB 3.42Å; H215-T218 PolarHBondContact O-N 3.18Å; H215-T218 VanDerWaalsContact O-N 3.16Å; H215-Q219 PolarHBondContact O-N 2.85Å |
| 216 | K | 97.9 | Very high | 97.5 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.3 | -34.6 | 176.1 | -60 | -174.7 | 179 | -177.3 | 0 | 112 | V70 N214 L220 | V70-K216 HydrophobicContact CG1-CB 3.55Å; N214-K216 PolarHBondContact O-N 3.3Å; N214-K216 VanDerWaalsContact O-N 3.11Å; N214-K216 WeakPolarHBondContact OD1-CB 3.23Å; N214-K216 PolarHBondContact OD1-N 2.87Å; K216-L220 WeakPolarHBondContact O-CG 3.3Å; K216-L220 PolarHBondContact O-N 2.94Å; K216-L220 VanDerWaalsContact O-N 3.09Å |
| 217 | I | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -47.6 | 170.5 | -61.5 | -67.4 | 0 | 0 | 0 | 109.1 | F67 V70 G71 E73 Y212 N214 H215 Q219 L220 K221 | F67-I217 HydrophobicContact CD1-CD1 3.95Å; F67-I217 HydrophobicContact CD1-CG2 4.3Å; F67-I217 HydrophobicContact CE1-CG2 4.2Å; V70-I217 HydrophobicContact CB-CD1 3.75Å; V70-I217 HydrophobicContact CG1-CD1 3.54Å; V70-I217 HydrophobicContact CG1-CG1 3.84Å; G71-I217 VanDerWaalsContact O-CD1 3.29Å; G71-I217 WeakPolarHBondContact O-CD1 3.47Å; E73-I217 HydrophobicContact CB-CG2 4.09Å; E73-I217 HydrophobicContact CG-CG1 4.28Å; E73-I217 HydrophobicContact CG-CG2 4.49Å; Y212-I217 HydrophobicContact CD1-CG2 4.09Å; Y212-I217 HydrophobicContact CE1-CG2 4.19Å; N214-I217 HydrophobicContact CB-CB 4.47Å; N214-I217 HydrophobicContact CB-CG1 3.99Å; N214-I217 WeakPolarHBondContact O-CB 3.44Å; N214-I217 PolarHBondContact O-N 2.97Å; H215-I217 VanDerWaalsContact C-N 3.32Å; H215-I217 PolarHBondContact O-N 3.09Å; I217-Q219 VanDerWaalsContact C-N 3.31Å; I217-Q219 PolarHBondContact O-N 2.94Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-K221 HydrophobicContact CG2-CD 4.41Å; I217-K221 HydrophobicContact CG2-CG 4.07Å; I217-K221 VanDerWaalsContact O-CG 3.23Å; I217-K221 WeakPolarHBondContact O-CG 3.49Å; I217-K221 PolarHBondContact O-N 3.13Å |
| 218 | T | 97.3 | Very high | 97.1 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -52.7 | -47 | 178 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | Y212 N214 H215 K221 I222 | Y212-T218 VanDerWaalsContact CB-OG1 3.26Å; Y212-T218 WeakPolarHBondContact CB-OG1 3.39Å; Y212-T218 HydrophobicContact CD2-CG2 4.26Å; N214-T218 PolarHBondContact O-N 3.26Å; H215-T218 WeakPolarHBondContact O-CB 3.42Å; H215-T218 PolarHBondContact O-N 3.18Å; H215-T218 VanDerWaalsContact O-N 3.16Å; T218-K221 WeakPolarHBondContact O-CB 2.97Å; T218-K221 PolarHBondContact O-N 3.07Å; T218-I222 HydrophobicContact CG2-CD1 3.99Å; T218-I222 WeakPolarHBondContact O-CG1 3.4Å; T218-I222 PolarHBondContact O-N 2.79Å |
| 219 | Q | 97.3 | Very high | 96.7 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 177.3 | -63.2 | -63.9 | 18.5 | 0 | 0 | 112.3 | H215 I217 K221 I222 E223 | H215-Q219 PolarHBondContact O-N 2.85Å; I217-Q219 VanDerWaalsContact C-N 3.31Å; I217-Q219 PolarHBondContact O-N 2.94Å; Q219-K221 PolarHBondContact O-N 3.27Å; Q219-I222 WeakPolarHBondContact O-CA 3.49Å; Q219-I222 WeakPolarHBondContact O-CB 3.39Å; Q219-I222 PolarHBondContact O-N 3Å; Q219-E223 WeakPolarHBondContact O-CB 3.42Å; Q219-E223 VanDerWaalsContact O-CG 3.3Å; Q219-E223 WeakPolarHBondContact O-CG 3.35Å; Q219-E223 PolarHBondContact O-N 3.03Å |
| 220 | L | 97.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.9 | -36.6 | 174.2 | -75 | 173.9 | 0 | 0 | 0 | 112.4 | F67 V70 K216 I217 N224 | F67-L220 HydrophobicContact CD1-CB 4.16Å; F67-L220 HydrophobicContact CD1-CD1 4.2Å; F67-L220 HydrophobicContact CE1-CB 3.43Å; F67-L220 VanDerWaalsContact CE1-CB 3.43Å; F67-L220 HydrophobicContact CE1-CD1 4.3Å; F67-L220 HydrophobicContact CE2-CB 4.46Å; F67-L220 HydrophobicContact CZ-CB 3.61Å; V70-L220 HydrophobicContact CB-CD1 4.33Å; V70-L220 HydrophobicContact CG2-CD1 3.93Å; K216-L220 WeakPolarHBondContact O-CG 3.3Å; K216-L220 PolarHBondContact O-N 2.94Å; K216-L220 VanDerWaalsContact O-N 3.09Å; I217-L220 PolarHBondContact O-N 3.48Å; L220-N224 VanDerWaalsContact O-CB 3.3Å; L220-N224 WeakPolarHBondContact O-CB 3.31Å; L220-N224 PolarHBondContact O-N 2.74Å; L220-N224 VanDerWaalsContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 3.41Å |
| 221 | K | 97.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 173.7 | -57.5 | -74.5 | -169.2 | -146.5 | 0 | 110.9 | F67 E73 F84 Y212 I217 T218 Q219 N225 | F67-K221 HydrophobicContact CE1-CD 3.59Å; F67-K221 HydrophobicContact CE1-CG 3.93Å; F67-K221 HydrophobicContact CZ-CD 3.77Å; F67-K221 HydrophobicContact CZ-CG 4.24Å; E73-K221 VanDerWaalsContact O-CE 3.27Å; E73-K221 WeakPolarHBondContact O-CE 3.25Å; E73-K221 PolarHBondContact O-NZ 2.85Å; F84-K221 HydrophobicContact CD1-CD 3.85Å; F84-K221 PolarHBondContact O-NZ 2.99Å; Y212-K221 HydrophobicContact CE1-CD 4.32Å; Y212-K221 VanDerWaalsContact CE1-CE 3.5Å; Y212-K221 HydrophobicContact CE1-CG 4.11Å; Y212-K221 HydrophobicContact CE2-CG 4.14Å; Y212-K221 WeakPolarHBondContact OH-CD 3.27Å; Y212-K221 WeakPolarHBondContact OH-CE 3.35Å; Y212-K221 WeakPolarHBondContact OH-CG 3.2Å; I217-K221 HydrophobicContact CG2-CD 4.41Å; I217-K221 HydrophobicContact CG2-CG 4.07Å; I217-K221 VanDerWaalsContact O-CG 3.23Å; I217-K221 WeakPolarHBondContact O-CG 3.49Å; I217-K221 PolarHBondContact O-N 3.13Å; T218-K221 WeakPolarHBondContact O-CB 2.97Å; T218-K221 PolarHBondContact O-N 3.07Å; Q219-K221 PolarHBondContact O-N 3.27Å; K221-N225 WeakPolarHBondContact O-CB 3.45Å; K221-N225 PolarHBondContact O-N 3.04Å |
| 222 | I | 96.8 | Very high | 95.9 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 179.1 | -71.9 | 166.8 | 0 | 0 | 0 | 111.2 | T218 Q219 N224 F231 R232 | T218-I222 HydrophobicContact CG2-CD1 3.99Å; T218-I222 WeakPolarHBondContact O-CG1 3.4Å; T218-I222 PolarHBondContact O-N 2.79Å; Q219-I222 WeakPolarHBondContact O-CA 3.49Å; Q219-I222 WeakPolarHBondContact O-CB 3.39Å; Q219-I222 PolarHBondContact O-N 3Å; I222-N224 PolarHBondContact O-N 2.7Å; I222-F231 HydrophobicContact CD1-CB 3.98Å; I222-F231 HydrophobicContact CG1-CB 3.98Å; I222-F231 HydrophobicContact CG2-CB 3.87Å; I222-R232 HydrophobicContact CG2-CG 3.66Å; I222-R232 VanDerWaalsContact O-CZ 3.27Å; I222-R232 PolarHBondContact O-NE 3.23Å; I222-R232 PolarHBondContact O-NH2 3.38Å |
| 223 | E | 96.9 | Very high | 94.6 | Very high | 103 Ų | 103 | 71.7 Ų | 71.7 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | -179.1 | -70.6 | 163.9 | -164.6 | 0 | 0 | 113.8 | Q219 R232 | Q219-E223 WeakPolarHBondContact O-CB 3.42Å; Q219-E223 VanDerWaalsContact O-CG 3.3Å; Q219-E223 WeakPolarHBondContact O-CG 3.35Å; Q219-E223 PolarHBondContact O-N 3.03Å; E223-R232 VanDerWaalsContact C-NH2 3.33Å; E223-R232 PolarHBondContact O-NH1 3.11Å; E223-R232 PolarHBondContact O-NH2 3.43Å |
| 224 | N | 96.5 | Very high | 92.7 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -104.9 | -26.9 | -170.2 | -63.3 | -90 | 0 | 0 | 0 | 113.2 | L63 F84 L220 I222 P226 | L63-N224 HydrophobicContact CD1-CB 3.85Å; L63-N224 WeakPolarHBondContact CD1-OD1 3.48Å; L63-N224 HydrophobicContact CD2-CB 4.35Å; F84-N224 HydrophobicContact CE1-CB 3.91Å; F84-N224 HydrophobicContact CZ-CB 3.87Å; F84-N224 WeakPolarHBondContact CZ-O 3.26Å; L220-N224 VanDerWaalsContact O-CB 3.3Å; L220-N224 WeakPolarHBondContact O-CB 3.31Å; L220-N224 PolarHBondContact O-N 2.74Å; L220-N224 VanDerWaalsContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 3.41Å; I222-N224 PolarHBondContact O-N 2.7Å; N224-P226 WeakPolarHBondContact O-CD 3.38Å |
| 225 | N | 96.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 77.1 Ų | 77.1 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | trans | -81.8 | 121.7 | 180 | -170.5 | -17.2 | 0 | 0 | 0 | 111.2 | F84 K221 F227 A228 R232 | F84-N225 HydrophobicContact CD1-CB 3.92Å; F84-N225 HydrophobicContact CD2-CB 3.9Å; F84-N225 HydrophobicContact CE1-CB 3.84Å; F84-N225 HydrophobicContact CE2-CB 3.83Å; F84-N225 HydrophobicContact CG-CB 3.96Å; F84-N225 VanDerWaalsContact CZ-CA 3.49Å; F84-N225 HydrophobicContact CZ-CB 3.81Å; K221-N225 WeakPolarHBondContact O-CB 3.45Å; K221-N225 PolarHBondContact O-N 3.04Å; N225-F227 PolarHBondContact O-N 2.86Å; N225-F227 WeakPolarHBondContact OD1-CB 3.23Å; N225-F227 WeakPolarHBondContact OD1-CD2 3.26Å; N225-F227 PolarHBondContact OD1-N 3.01Å; N225-A228 HydrophobicContact CB-CB 4.04Å; N225-A228 PolarHBondContact O-N 3.46Å; N225-R232 PolarHBondContact O-NH2 2.84Å | ||
| 226 | P | 95.1 | Very high | 88.9 | Confident | 93 Ų | 93 | 76.9 Ų | 76.9 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -57.9 | -35.7 | 176.2 | -25.4 | 35.6 | 0 | 0 | 0 | 113.2 | N224 A228 K229 | N224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-A228 PolarHBondContact O-N 3.05Å; P226-K229 WeakPolarHBondContact O-CB 3.45Å; P226-K229 PolarHBondContact O-N 3.17Å |
| 227 | F | 94.3 | Very high | 87.1 | Confident | 186 Ų | 186 | 77.4 Ų | 77.4 | 82% | 0.816 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -74 | -5.4 | 179.2 | -58.1 | -74 | 0 | 0 | 0 | 113.8 | N225 | N225-F227 PolarHBondContact O-N 2.86Å; N225-F227 WeakPolarHBondContact OD1-CB 3.23Å; N225-F227 WeakPolarHBondContact OD1-CD2 3.26Å; N225-F227 PolarHBondContact OD1-N 3.01Å |
| 228 | A | 93.6 | Very high | 85.2 | Confident | 15 Ų | 15 | 83.7 Ų | 83.7 | 12% | 0.124 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -108.7 | 7.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N225 P226 G230 F231 | N225-A228 HydrophobicContact CB-CB 4.04Å; N225-A228 PolarHBondContact O-N 3.46Å; P226-A228 PolarHBondContact O-N 3.05Å; A228-G230 PolarHBondContact O-N 3.09Å; A228-G230 VanDerWaalsContact O-N 3.09Å; A228-F231 PolarHBondContact O-N 3.24Å |
| 229 | K | 91.1 | Very high | 83.4 | Confident | 147 Ų | 147 | 86.4 Ų | 86.4 | 64% | 0.639 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -53.8 | -33.5 | -176.5 | -172.5 | -178 | 177.3 | -175.1 | 0 | 113.7 | P226 F231 R232 | P226-K229 WeakPolarHBondContact O-CB 3.45Å; P226-K229 PolarHBondContact O-N 3.17Å; K229-F231 PolarHBondContact O-N 3.16Å; K229-F231 VanDerWaalsContact O-N 3.16Å; K229-R232 WeakPolarHBondContact O-CB 3.44Å; K229-R232 WeakPolarHBondContact O-CG 3.48Å; K229-R232 PolarHBondContact O-N 3.25Å; K229-R232 VanDerWaalsContact O-N 3.17Å |
| 230 | G | 92.6 | Very high | 81.6 | Confident | 71 Ų | 71 | 87.3 Ų | 87.3 | 73% | 0.732 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -67 | -6.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | A228 | A228-G230 PolarHBondContact O-N 3.09Å; A228-G230 VanDerWaalsContact O-N 3.09Å |
| 231 | F | 91.3 | Very high | 79.9 | Confident | 142 Ų | 142 | 95.2 Ų | 95.2 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -102.1 | 4.6 | 174.8 | -61.4 | -80.1 | 0 | 0 | 0 | 113.2 | I222 A228 K229 | I222-F231 HydrophobicContact CD1-CB 3.98Å; I222-F231 HydrophobicContact CG1-CB 3.98Å; I222-F231 HydrophobicContact CG2-CB 3.87Å; A228-F231 PolarHBondContact O-N 3.24Å; K229-F231 PolarHBondContact O-N 3.16Å; K229-F231 VanDerWaalsContact O-N 3.16Å |
| 232 | R | 92.8 | Very high | 78 | Confident | 111 Ų | 111 | 99 Ų | 99 | 42% | 0.419 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 116.8 | 178.1 | -60.5 | 176.1 | -164.9 | -168.7 | 5.4 | 109.5 | I222 E223 N225 K229 | I222-R232 HydrophobicContact CG2-CG 3.66Å; I222-R232 VanDerWaalsContact O-CZ 3.27Å; I222-R232 PolarHBondContact O-NE 3.23Å; I222-R232 PolarHBondContact O-NH2 3.38Å; E223-R232 VanDerWaalsContact C-NH2 3.33Å; E223-R232 PolarHBondContact O-NH1 3.11Å; E223-R232 PolarHBondContact O-NH2 3.43Å; N225-R232 PolarHBondContact O-NH2 2.84Å; K229-R232 WeakPolarHBondContact O-CB 3.44Å; K229-R232 WeakPolarHBondContact O-CG 3.48Å; K229-R232 PolarHBondContact O-N 3.25Å; K229-R232 VanDerWaalsContact O-N 3.17Å |
| 233 | G | 71.8 | Confident | 76.3 | Confident | 52 Ų | 52 | 101.4 Ų | 101.4 | 54% | 0.536 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 37.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D235 | G233-D235 PolarHBondContact O-N 2.92Š|
| 234 | S | 57.5 | Low | 74.4 | Confident | 52 Ų | 52 | 106.7 Ų | 106.7 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -23.5 | 175.1 | -68.5 | 0 | 0 | 0 | 0 | 114 | D236 M237 E238 | S234-D236 PolarHBondContact O-N 3.13Å; S234-M237 WeakPolarHBondContact O-CA 3.45Å; S234-M237 WeakPolarHBondContact O-CB 3.39Å; S234-M237 PolarHBondContact O-N 3.05Å; S234-E238 PolarHBondContact O-N 3.37Å |
| 235 | D | 58.1 | Low | 72.6 | Confident | 135 Ų | 135 | 110.7 Ų | 110.7 | 72% | 0.722 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -51.6 | -42.5 | -179.4 | -48.2 | 12.3 | 0 | 0 | 0 | 111.5 | G233 L239 | G233-D235 PolarHBondContact O-N 2.92Å; D235-L239 WeakPolarHBondContact O-CG 3.42Å; D235-L239 PolarHBondContact O-N 3.31Å |
| 236 | D | 57.6 | Low | 70.5 | Confident | 96 Ų | 96 | 117 Ų | 117 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.9 | -33 | 179 | -160 | 3.2 | 0 | 0 | 0 | 112.2 | S234 E238 L239 H240 | S234-D236 PolarHBondContact O-N 3.13Å; D236-E238 VanDerWaalsContact C-N 3.33Å; D236-E238 PolarHBondContact O-N 3.05Å; D236-L239 PolarHBondContact O-N 3.45Å; D236-H240 WeakPolarHBondContact O-CB 3.47Å; D236-H240 PolarHBondContact O-N 3.15Å; D236-H240 PolarHBondContact O-ND1 2.97Å; D236-H240 IonicContact OD1-CE1 3.05Å; D236-H240 PolarHBondContact OD1-CE1 3.22Å; D236-H240 IonicContact OD1-ND1 2.91Å; D236-H240 PolarHBondContact OD1-ND1 2.99Å |
| 237 | M | 58.8 | Low | 68.4 | Low | 132 Ų | 132 | 117.3 Ų | 117.3 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.8 | -33.4 | 173.9 | -81 | -178 | 55.8 | 0 | 0 | 112.7 | S234 R241 | S234-M237 WeakPolarHBondContact O-CA 3.45Å; S234-M237 WeakPolarHBondContact O-CB 3.39Å; S234-M237 PolarHBondContact O-N 3.05Å; M237-R241 VanDerWaalsContact O-CB 3.29Å; M237-R241 WeakPolarHBondContact O-CB 3.43Å; M237-R241 PolarHBondContact O-N 3.36Å |
| 238 | E | 58.8 | Low | 66.3 | Low | 133 Ų | 133 | 116.7 Ų | 116.7 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.2 | -40.1 | 177.5 | -166.8 | 152.8 | 174.6 | 0 | 0 | 111.4 | S234 D236 R241 M242 | S234-E238 PolarHBondContact O-N 3.37Å; D236-E238 VanDerWaalsContact C-N 3.33Å; D236-E238 PolarHBondContact O-N 3.05Å; E238-R241 WeakPolarHBondContact O-CB 3.48Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 VanDerWaalsContact O-N 3.15Å; E238-M242 HydrophobicContact CG-CE 3.99Å; E238-M242 WeakPolarHBondContact O-CG 3.47Å; E238-M242 PolarHBondContact O-N 2.93Å |
| 239 | L | 59.3 | Low | 63.8 | Low | 101 Ų | 101 | 124.6 Ų | 124.6 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.3 | -47 | 169.9 | -69.9 | 172.4 | 0 | 0 | 0 | 112 | D235 D236 R241 M242 S243 | D235-L239 WeakPolarHBondContact O-CG 3.42Å; D235-L239 PolarHBondContact O-N 3.31Å; D236-L239 PolarHBondContact O-N 3.45Å; L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.45Å; L239-M242 HydrophobicContact CD2-CE 4.18Å; L239-M242 HydrophobicContact CD2-SD 4.08Å; L239-M242 VanDerWaalsContact O-CG 3.25Å; L239-M242 WeakPolarHBondContact O-CG 3.48Å; L239-M242 PolarHBondContact O-N 2.87Å; L239-S243 VanDerWaalsContact O-CB 3.27Å; L239-S243 WeakPolarHBondContact O-CB 3.29Å; L239-S243 PolarHBondContact O-N 2.92Å |
| 240 | H | 60.3 | Low | 61.3 | Low | 120 Ų | 120 | 127 Ų | 127 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.9 | -32.3 | 175 | -80.5 | 78.6 | 0 | 0 | 0 | 112.9 | D236 R244 | D236-H240 WeakPolarHBondContact O-CB 3.47Å; D236-H240 PolarHBondContact O-N 3.15Å; D236-H240 PolarHBondContact O-ND1 2.97Å; D236-H240 IonicContact OD1-CE1 3.05Å; D236-H240 PolarHBondContact OD1-CE1 3.22Å; D236-H240 IonicContact OD1-ND1 2.91Å; D236-H240 PolarHBondContact OD1-ND1 2.99Å; H240-R244 PolarHBondContact O-N 3.43Å; H240-R244 VanDerWaalsContact O-N 3.15Å |
| 241 | R | 60.2 | Low | 58.9 | Low | 191 Ų | 191 | 129 Ų | 129 | 72% | 0.721 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72 | -43.5 | 177.4 | -164.5 | 178.6 | -160 | 130.9 | 2.2 | 112.1 | M237 E238 L239 M245 | M237-R241 VanDerWaalsContact O-CB 3.29Å; M237-R241 WeakPolarHBondContact O-CB 3.43Å; M237-R241 PolarHBondContact O-N 3.36Å; E238-R241 WeakPolarHBondContact O-CB 3.48Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 VanDerWaalsContact O-N 3.15Å; L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.45Å; R241-M245 VanDerWaalsContact O-CG 3.29Å; R241-M245 WeakPolarHBondContact O-CG 3.42Å; R241-M245 PolarHBondContact O-N 2.98Å |
| 242 | M | 59 | Low | 56.9 | Low | 88 Ų | 88 | 128.7 Ų | 128.7 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.7 | -36.3 | 176 | 67.1 | -178.3 | 77.4 | 0 | 0 | 112.1 | E238 L239 R244 M245 Q246 | E238-M242 HydrophobicContact CG-CE 3.99Å; E238-M242 WeakPolarHBondContact O-CG 3.47Å; E238-M242 PolarHBondContact O-N 2.93Å; L239-M242 HydrophobicContact CD2-CE 4.18Å; L239-M242 HydrophobicContact CD2-SD 4.08Å; L239-M242 VanDerWaalsContact O-CG 3.25Å; L239-M242 WeakPolarHBondContact O-CG 3.48Å; L239-M242 PolarHBondContact O-N 2.87Å; M242-R244 PolarHBondContact O-N 2.93Å; M242-M245 WeakPolarHBondContact O-CA 3.27Å; M242-M245 WeakPolarHBondContact O-CB 3.25Å; M242-M245 PolarHBondContact O-N 3.22Å; M242-Q246 PolarHBondContact O-N 3.16Å; M242-Q246 VanDerWaalsContact O-N 3.16Å |
| 243 | S | 59.9 | Low | 54.5 | Low | 77 Ų | 77 | 129.2 Ų | 129.2 | 54% | 0.538 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -57.3 | -47.3 | 172.6 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | L239 M245 Q246 | L239-S243 VanDerWaalsContact O-CB 3.27Å; L239-S243 WeakPolarHBondContact O-CB 3.29Å; L239-S243 PolarHBondContact O-N 2.92Å; S243-M245 PolarHBondContact O-N 2.97Å; S243-M245 VanDerWaalsContact O-N 3.14Å; S243-Q246 PolarHBondContact O-N 3.46Å; S243-Q246 VanDerWaalsContact O-N 3.13Å |
| 244 | R | 58.1 | Low | 53.1 | Low | 214 Ų | 214 | 131.7 Ų | 131.7 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.7 | -12.3 | 172.7 | -89.4 | -172.5 | 169.9 | -174.7 | -1.6 | 115.4 | H240 M242 | H240-R244 PolarHBondContact O-N 3.43Å; H240-R244 VanDerWaalsContact O-N 3.15Å; M242-R244 PolarHBondContact O-N 2.93Å |
| 245 | M | 57.5 | Low | 52.6 | Low | 143 Ų | 143 | 141.6 Ų | 141.6 | 70% | 0.704 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -93.5 | -21.6 | 174.2 | -63.5 | -83 | 77 | 0 | 0 | 112.8 | R241 M242 S243 | R241-M245 VanDerWaalsContact O-CG 3.29Å; R241-M245 WeakPolarHBondContact O-CG 3.42Å; R241-M245 PolarHBondContact O-N 2.98Å; M242-M245 WeakPolarHBondContact O-CA 3.27Å; M242-M245 WeakPolarHBondContact O-CB 3.25Å; M242-M245 PolarHBondContact O-N 3.22Å; S243-M245 PolarHBondContact O-N 2.97Å; S243-M245 VanDerWaalsContact O-N 3.14Å |
| 246 | Q | 53.7 | Low | 52.1 | Low | 159 Ų | 159 | 139.9 Ų | 139.9 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -84.3 | -20.5 | 179.2 | -68.7 | -174.9 | 13.6 | 0 | 0 | 113.9 | M242 S243 K248 | M242-Q246 PolarHBondContact O-N 3.16Å; M242-Q246 VanDerWaalsContact O-N 3.16Å; S243-Q246 PolarHBondContact O-N 3.46Å; S243-Q246 VanDerWaalsContact O-N 3.13Å; Q246-K248 PolarHBondContact O-N 3.36Å |
| 247 | S | 50.6 | Low | 51.2 | Low | 99 Ų | 99 | 141.8 Ų | 141.8 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | trans | -74.5 | 26.2 | -177.4 | 83.4 | 0 | 0 | 0 | 0 | 115.6 | E249 | S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.13Å | ||
| 248 | K | 49.2 | Very low | 50.4 | Low | 173 Ų | 173 | 142.2 Ų | 142.2 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -95.7 | 59 | 169.6 | -83.5 | -166 | 172.9 | -174.4 | 0 | 111.1 | Q246 Y250 | Q246-K248 PolarHBondContact O-N 3.36Å; K248-Y250 PolarHBondContact O-N 3.37Å | ||
| 249 | E | 42 | Very low | 49.5 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | trans | -57.8 | 119.9 | 159.3 | -169.4 | 90.1 | -113.1 | 0 | 0 | 108.1 | S247 | S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.13Å | ||
| 250 | Y | 38.7 | Very low | 48.3 | Very low | 198 Ų | 198 | 149 Ų | 149 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -77.6 | 125.3 | 173.8 | -95.2 | -102.2 | 0 | 0 | 0 | 108.9 | K248 V252 | K248-Y250 PolarHBondContact O-N 3.37Å; Y250-V252 PolarHBondContact O-N 3.14Å | ||
| 251 | P | 42.2 | Very low | 47.2 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -66.7 | 110.3 | 177.8 | 26.6 | -33.3 | 0 | 0 | 0 | 110.2 | V253 | P251-V253 PolarHBondContact O-N 3.15Å; P251-V253 VanDerWaalsContact O-N 3.1Å | ||
| 252 | V | 49.2 | Very low | 45.9 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | trans | -70.2 | 103.9 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 109 | Y250 P254 | Y250-V252 PolarHBondContact O-N 3.14Å; V252-P254 WeakPolarHBondContact O-CD 3.49Å | ||
| 253 | V | 42 | Very low | 44.5 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -73.6 | 120.7 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | P251 | P251-V253 PolarHBondContact O-N 3.15Å; P251-V253 VanDerWaalsContact O-N 3.1Å | ||
| 254 | P | 43.3 | Very low | 43 | Very low | 104 Ų | 104 | 152 Ų | 152 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | -65.2 | 138.8 | 177.8 | -22.1 | 34.7 | 0 | 0 | 0 | 112.7 | V252 S256 | V252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-S256 PolarHBondContact O-N 2.87Å; P254-S256 VanDerWaalsContact O-N 3.14Å | ||
| 255 | R | 46.3 | Very low | 41.8 | Very low | 260 Ų | 260 | 149.8 Ų | 149.8 | 98% | 0.981 | 78% | 0.784 | S | S | * | * | trans | -88 | 69.1 | -177.9 | -108.5 | -175.4 | 171.9 | 150.7 | -2.7 | 113.5 | ||||
| 256 | S | 46.9 | Very low | 40.7 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -157.8 | 144.3 | 154.1 | 60.7 | 0 | 0 | 0 | 0 | 107.9 | P254 | P254-S256 PolarHBondContact O-N 2.87Å; P254-S256 VanDerWaalsContact O-N 3.14Å | ||
| 257 | T | 39.8 | Very low | 39.8 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | cis | -137.4 | 167 | 32.7 | 48.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 258 | V | 41.4 | Very low | 39.6 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -86.1 | 135.3 | 166.1 | 167.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 259 | R | 39 | Very low | 38.8 | Very low | 215 Ų | 215 | 151.7 Ų | 151.7 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -168.3 | 129 | 133.5 | -155.3 | 148.4 | 173.1 | 161.6 | -0.5 | 116.8 | ||||
| 260 | Q | 34.3 | Very low | 38.4 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | trans | 67.9 | 159 | 151 | -84.4 | 179.8 | -106.6 | 0 | 0 | 123.4 | ||||
| 261 | K | 38.8 | Very low | 38.2 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -133.1 | 142.9 | -167.4 | 157 | -165.5 | 178.6 | -175.5 | 0 | 107.1 | ||||
| 262 | V | 32.1 | Very low | 37.8 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -162.3 | 152 | 145.6 | 133.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 263 | S | 29.1 | Very low | 36.9 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -113.3 | 146.2 | -170.1 | -46.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 264 | S | 29.6 | Very low | 36.7 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -150.6 | 122.9 | 147.6 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 265 | N | 31.5 | Very low | 36.2 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -156.3 | 143 | 165.9 | -115.2 | -9 | 0 | 0 | 0 | 108.2 | ||||
| 266 | H | 34.5 | Very low | 35.8 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | trans | -86.8 | 152.9 | -172.4 | -67.8 | -108.4 | 0 | 0 | 0 | 112 | ||||
| 267 | S | 34.8 | Very low | 35 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -113.8 | 145.9 | 171 | -160.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 268 | P | 46.9 | Very low | 34.6 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -147.8 | 144.6 | 79.1 | 38.4 | -20.8 | 0 | 0 | 0 | 116.2 | |||||
| 269 | F | 32.5 | Very low | 34.2 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | 177.1 | 167.7 | 101.2 | -143.9 | -101.9 | 0 | 0 | 0 | 111 | |||||
| 270 | S | 34.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -90.7 | 154.1 | -166.5 | -55.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 271 | G | 32.8 | Very low | 33.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -179.4 | 102.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 272 | E | 34.3 | Very low | 33.7 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -64.8 | 160.2 | 168.4 | -105.5 | -177.2 | 119.1 | 0 | 0 | 111.1 | R274 | E272-R274 IonicContact OE1-NH2 3.81Š| ||
| 273 | T | 31.6 | Very low | 33.5 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | cis | -164.4 | 144.1 | 32.4 | -22.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 274 | R | 35.8 | Very low | 33.6 | Very low | 204 Ų | 204 | 129 Ų | 129 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 51.1 | 127.9 | 145.7 | -74.7 | 167.9 | -139.1 | -171.5 | 9.7 | 121.6 | E272 | E272-R274 IonicContact OE1-NH2 3.81Š| ||
| 275 | V | 33.4 | Very low | 33.6 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 77.9 | 121.9 | 64.3 | 160.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 276 | L | 37.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | cis | -133.2 | 160.6 | 22.6 | -76.1 | 168.6 | 0 | 0 | 0 | 112.4 | ||||
| 277 | S | 30.9 | Very low | 33 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 57.1 | 142.5 | 73.7 | -31.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 278 | A | 30.1 | Very low | 32.6 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -145.7 | 160.2 | 13 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 279 | S | 33.1 | Very low | 31.6 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | 53.7 | 140.9 | 89.9 | -46.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 280 | S | 33.6 | Very low | 31.8 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | cis | 177.6 | 159.8 | -7.6 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 281 | N | 32 | Very low | 31.6 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | 66.8 | 164.4 | 160.2 | -57.5 | -31.6 | 0 | 0 | 0 | 115.8 | ||||
| 282 | L | 36 | Very low | 31.5 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | cis | -151.5 | 172.5 | -10.9 | -149.8 | 70.2 | 0 | 0 | 0 | 109 | ||||
| 283 | G | 29.4 | Very low | 31.4 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 103.4 | 112.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 284 | S | 31 | Very low | 31.2 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -87.1 | 148.4 | 166.4 | 175.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 285 | Q | 29.5 | Very low | 31 | Very low | 145 Ų | 145 | 128 Ų | 128 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | 164.2 | 134.6 | 121.6 | -91.2 | -179.2 | -8.6 | 0 | 0 | 114.1 | |||||
| 286 | Y | 28 | Very low | 31 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 55.8 | 157.2 | 141.2 | -57 | -37.4 | 0 | 0 | 0 | 120.7 | ||||
| 287 | Q | 25.9 | Very low | 30.7 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -171.4 | 172.8 | -20 | -179.5 | 179.6 | -7.6 | 0 | 0 | 107.7 | ||||
| 288 | C | 24.9 | Very low | 30.7 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | 73.5 | 161.1 | 171.3 | -59 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 289 | E | 27.5 | Very low | 30.9 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | cis | -146.9 | 177.5 | -0.8 | -142.7 | 171.3 | 119.2 | 0 | 0 | 112.5 | ||||
| 290 | N | 35.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -81.5 | 153.5 | 171.5 | -88.6 | -25.5 | 0 | 0 | 0 | 112.2 | ||||
| 291 | G | 30.4 | Very low | 31.9 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -159.2 | 127.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 292 | V | 31.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -120.6 | 141.9 | 177.3 | -79.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 293 | S | 30.4 | Very low | 32.4 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | trans | -161 | 169.6 | 163.2 | -86.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 294 | S | 28.9 | Very low | 32.6 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -123 | -175.4 | -150.8 | -168.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 295 | T | 31 | Very low | 32.8 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 81.7 | 152.5 | 165.1 | 74 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 296 | S | 32.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | cis | -175.7 | 167.2 | -34.7 | -94.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 297 | Q | 31.7 | Very low | 33.6 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 69.1 | 155.1 | 164.2 | -74 | -177.3 | -47.9 | 0 | 0 | 118.1 | ||||
| 298 | D | 31.6 | Very low | 33.7 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | -168.3 | -177.3 | -32.1 | -145.7 | -41.1 | 0 | 0 | 0 | 109.6 | ||||
| 299 | L | 33.7 | Very low | 33.8 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 83.7 | 162.8 | 165 | -50.3 | -176 | 0 | 0 | 0 | 120.3 | ||||
| 300 | L | 32.6 | Very low | 33.7 | Very low | 165 Ų | 165 | 134 Ų | 134 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -123.7 | -142.8 | -168.2 | -65.7 | 170.8 | 0 | 0 | 0 | 112.8 | ||||
| 301 | P | 56.6 | Low | 33.1 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | -108.2 | -162.4 | -121.4 | 41.7 | -22.4 | 0 | 0 | 0 | 112.6 | |||||
| 302 | P | 50 | Low | 32.8 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -145.7 | -170.6 | 7.3 | 45.3 | -24.8 | 0 | 0 | 0 | 118.5 | ||||
| 303 | A | 27.7 | Very low | 32.4 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 86.9 | 148.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 304 | N | 33.2 | Very low | 32.4 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -77.7 | 155 | 175.9 | -122.4 | 6 | 0 | 0 | 0 | 111.1 | ||||
| 305 | P | 34.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | -150.8 | 159.4 | 95.7 | 40.3 | -23.6 | 0 | 0 | 0 | 117.6 | |||||
| 306 | Y | 30.6 | Very low | 32.1 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | -76.1 | 175.8 | 156.6 | -84.4 | -87.6 | 0 | 0 | 0 | 110.5 | ||||
| 307 | P | 45.1 | Very low | 31.8 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -142.6 | -169.9 | 14.8 | 43.5 | -24 | 0 | 0 | 0 | 116.8 | ||||
| 308 | I | 27.6 | Very low | 31.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | 69 | 152 | 152.9 | -79 | 165.9 | 0 | 0 | 0 | 117.1 | ||||
| 309 | S | 27.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | -170.3 | -171.6 | -30.7 | -167.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 310 | Q | 24.4 | Very low | 31.5 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 67.2 | 152.4 | 172.7 | -84.8 | 178.9 | -73.9 | 0 | 0 | 116.5 | ||||
| 311 | E | 23.2 | Very low | 31.3 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 60% | 0.603 | 76% | 0.757 | S | S | * | * | cis | -156.1 | 162.8 | -17.2 | -150.3 | -178.6 | 95.7 | 0 | 0 | 110.9 | ||||
| 312 | H | 25 | Very low | 30 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 19.2 | 129.2 | 162.7 | -64.6 | 134.7 | 0 | 0 | 0 | 122.3 | ||||
| 313 | S | 23.2 | Very low | 29.1 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 170.7 | 123.9 | 109.2 | -81.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 314 | Q | 29 | Very low | 29.2 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | 49.9 | 140.3 | 120.4 | -70.9 | -170 | 15.6 | 0 | 0 | 121.8 | |||||
| 315 | I | 26.1 | Very low | 29 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 56% | 0.564 | 76% | 0.757 | S | S | * | * | cis | -148.5 | 167.8 | -8 | -43.6 | 89.1 | 0 | 0 | 0 | 108.3 | ||||
| 316 | Y | 27.5 | Very low | 28.4 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 124 | 93.1 | 144.3 | -72.7 | -66 | 0 | 0 | 0 | 120.3 | ||||
| 317 | H | 26.7 | Very low | 28.1 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -15.3 | 147 | 152.1 | -53.3 | -82.6 | 0 | 0 | 0 | 120.7 | ||||
| 318 | C | 24.4 | Very low | 27.2 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 90% | 0.899 | 76% | 0.761 | S | S | * | * | trans | -113.4 | 129.3 | 144.5 | -177 | 0 | 0 | 0 | 0 | 109 | ||||
| 319 | T | 31.3 | Very low | 27.3 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -101.7 | 109.6 | -174.1 | 37.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 320 | K | 34.4 | Very low | 27.2 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -73.4 | 142.5 | 159 | -175.3 | -179.2 | -179.8 | -177.9 | 0 | 109.4 | ||||
| 321 | R | 29.7 | Very low | 27.5 | Very low | 237 Ų | 237 | 150.8 Ų | 150.8 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | -128.8 | 162.7 | 166.6 | -75 | -166.5 | 176.1 | -169.6 | 0.1 | 111.3 | ||||
| 322 | K | 27.8 | Very low | 28.9 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -149.7 | 131.1 | -174.8 | 177 | -165.4 | 168.1 | -163.5 | 0 | 108.9 | ||||
| 323 | D | 31.6 | Very low | 29 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | trans | 50.2 | 165.7 | 153.6 | -51.2 | -17.5 | 0 | 0 | 0 | 123.4 | ||||
| 324 | E | 30.4 | Very low | 29.4 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 97.9 | 112.9 | 160.1 | -54.2 | -70.7 | 44.7 | 0 | 0 | 122 | ||||
| 325 | E | 28.8 | Very low | 29.7 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | 68.4 | 119.4 | 130.2 | -160.2 | 167.7 | -144.5 | 0 | 0 | 123.4 | ||||
| 326 | C | 22.6 | Very low | 30.4 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 86% | 0.858 | 78% | 0.78 | S | S | * | * | -178.5 | 178.5 | 119 | -156.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 327 | S | 25 | Very low | 30.4 | Very low | 93 Ų | 93 | 155.2 Ų | 155.2 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -143.5 | 164.7 | -159.3 | 59.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 328 | T | 26 | Very low | 30.8 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 66.5 | 156.6 | 164.4 | 52.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 329 | T | 29 | Very low | 31.1 | Very low | 115 Ų | 115 | 154 Ų | 154 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -159.5 | 170.5 | 14.8 | -16.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 330 | E | 25.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 82.2 | 161.5 | 154.6 | -67.1 | -64.5 | 90 | 0 | 0 | 124.1 | ||||
| 331 | H | 30.7 | Very low | 31.1 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | -129.1 | -155.4 | -162.4 | -68.2 | -60.8 | 0 | 0 | 0 | 112.7 | ||||
| 332 | P | 51.5 | Low | 32 | Very low | 107 Ų | 107 | 145 Ų | 145 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -128.7 | 173.9 | -17.7 | 21.4 | 5.4 | 0 | 0 | 0 | 114.7 | ||||
| 333 | Y | 26.8 | Very low | 32.4 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | 178.2 | 124.9 | 81.7 | -115.6 | -97.2 | 0 | 0 | 0 | 109.9 | |||||
| 334 | K | 32.3 | Very low | 32.5 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | 50.3 | 114.7 | 94.2 | -75.8 | -178.3 | 179.8 | 176.6 | 0 | 117.3 | |||||
| 335 | K | 34.6 | Very low | 32.8 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | 109.9 | 161.5 | 65.6 | -114.3 | -163.1 | 177.4 | -169 | 0 | 110.7 | |||||
| 336 | P | 42.5 | Very low | 32.9 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | cis | -134.6 | 159 | 38.2 | 43.5 | -25.3 | 0 | 0 | 0 | 117.3 | ||||
| 337 | Y | 27.5 | Very low | 34.3 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | 71 | 149 | 109.9 | -167.6 | -132 | 0 | 0 | 0 | 114.7 | E339 | Y337-E339 HydrophobicContact CE2-CB 4.32Å; Y337-E339 HydrophobicContact CE2-CG 4.25Å; Y337-E339 WeakPolarHBondContact CE2-OE1 3.29Å; Y337-E339 PolarHBondContact OH-OE1 3.37Å | |||
| 338 | M | 34 | Very low | 34.6 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | -99.9 | -171.5 | 17.3 | -93 | -174.9 | 142.6 | 0 | 0 | 115.2 | ||||
| 339 | E | 31.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | cis | 85.9 | 140.3 | 27.6 | -106 | -179.9 | -119.5 | 0 | 0 | 116.3 | Y337 | Y337-E339 HydrophobicContact CE2-CB 4.32Å; Y337-E339 HydrophobicContact CE2-CG 4.25Å; Y337-E339 WeakPolarHBondContact CE2-OE1 3.29Å; Y337-E339 PolarHBondContact OH-OE1 3.37Å | ||
| 340 | T | 30.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | cis | -137.7 | 171.1 | 7.6 | 23.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 341 | S | 33.8 | Very low | 34.9 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -123 | 168.2 | 156.6 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 342 | P | 50.1 | Low | 34.7 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -136 | 160.9 | 143.3 | 38.6 | -27.6 | 0 | 0 | 0 | 114.5 | ||||
| 343 | A | 35.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 157 Ų | 157 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -147.4 | 149.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 344 | E | 34.2 | Very low | 34.6 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -135.8 | 166.9 | 174.7 | -70.5 | -169.3 | 126.1 | 0 | 0 | 110.5 | ||||
| 345 | E | 36.1 | Very low | 34.6 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 151 | -157.2 | -179 | -175.4 | 155.8 | 0 | 0 | 110.3 | ||||
| 346 | D | 32.3 | Very low | 34.4 | Very low | 159 Ų | 159 | 150 Ų | 150 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -156.6 | 151.2 | 161.7 | -135.7 | 5.2 | 0 | 0 | 0 | 111.7 | ||||
| 347 | P | 51.5 | Low | 33.9 | Very low | 87 Ų | 87 | 152.8 Ų | 152.8 | 57% | 0.565 | 78% | 0.777 | S | S | * | * | trans | -121 | -154 | -159.4 | 45.5 | -36.3 | 0 | 0 | 0 | 116.6 | ||||
| 348 | F | 30.1 | Very low | 34 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 97.6 | 99.5 | 168.1 | -59 | -72.7 | 0 | 0 | 0 | 120 | ||||
| 349 | Y | 32.6 | Very low | 33.9 | Very low | 225 Ų | 225 | 150.1 Ų | 150.1 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | -171.9 | 172.7 | 101.5 | -144.6 | -102.2 | 0 | 0 | 0 | 112.2 | |||||
| 350 | R | 30 | Very low | 33.7 | Very low | 229 Ų | 229 | 151 Ų | 151 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -99.8 | 153.8 | -178.2 | -55.4 | -180 | -176.8 | 180 | 1.6 | 113.8 | ||||
| 351 | S | 25.2 | Very low | 33.6 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | -171.6 | 143.5 | 117 | -156.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 352 | S | 25.4 | Very low | 33.4 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -17.6 | 142.1 | 165.7 | -47.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 353 | Y | 28.8 | Very low | 32.3 | Very low | 219 Ų | 219 | 155.4 Ų | 155.4 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -16.7 | 170.5 | 144.5 | -76.1 | -85.8 | 0 | 0 | 0 | 121.5 | ||||
| 354 | P | 49.3 | Very low | 31.9 | Very low | 108 Ų | 108 | 162.6 Ų | 162.6 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | -137.7 | 152.3 | 4.1 | 25.5 | -0.9 | 0 | 0 | 0 | 119.9 | ||||
| 355 | Q | 30.7 | Very low | 31.6 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 24.4 | 129.9 | 127.3 | -171.9 | -178 | 32.8 | 0 | 0 | 122.5 | |||||
| 356 | Q | 31.8 | Very low | 31.3 | Very low | 151 Ų | 151 | 158.3 Ų | 158.3 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | -171.6 | 144.3 | 115.5 | -98.1 | -158 | 19.3 | 0 | 0 | 115.8 | |||||
| 357 | Q | 31.4 | Very low | 31.2 | Very low | 172 Ų | 172 | 156.2 Ų | 156.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 31.1 | 140.7 | 145.3 | -51 | 178.5 | 13.8 | 0 | 0 | 121.7 | ||||
| 358 | G | 29 | Very low | 30.2 | Very low | 72 Ų | 72 | 156.3 Ų | 156.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | 163.8 | 162.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 359 | L | 31.9 | Very low | 30.2 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | 75.9 | 116.6 | 162.4 | -57.7 | 178.3 | 0 | 0 | 0 | 122.5 | ||||
| 360 | N | 27.7 | Very low | 30.1 | Very low | 146 Ų | 146 | 155.6 Ų | 155.6 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -43.5 | 174.9 | 151.7 | -57.9 | -37.6 | 0 | 0 | 0 | 114.9 | ||||
| 361 | T | 28.7 | Very low | 30.2 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | cis | -163.9 | 165.1 | 35.1 | -31 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 362 | S | 29.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 152.7 Ų | 152.7 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -61.3 | 152.4 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 363 | Y | 28.3 | Very low | 30.6 | Very low | 222 Ų | 222 | 153.2 Ų | 153.2 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | 42.4 | 128.3 | 137 | -77.7 | -99.2 | 0 | 0 | 0 | 123.1 | ||||
| 364 | R | 25.7 | Very low | 30.6 | Very low | 250 Ų | 250 | 149.5 Ų | 149.5 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | -162.1 | -176.3 | 128.2 | -129.4 | -179 | 178 | 163.8 | 0.9 | 114.4 | |||||
| 365 | T | 28.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 154 Ų | 154 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -136.7 | 138.6 | -153.2 | -46 | 0 | 0 | 0 | 0 | 114 | ||||
| 366 | E | 29.9 | Very low | 29.7 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 33.1 | 129.8 | 148.9 | -160 | -177 | 155.8 | 0 | 0 | 122.9 | ||||
| 367 | S | 30.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -175.1 | 128.9 | 130.3 | 25 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 368 | A | 30.2 | Very low | 29.5 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 36.3 | 139.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 369 | Q | 29.5 | Very low | 29.9 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 128.7 | 92.3 | 115.8 | -161.7 | 153.5 | -45.6 | 0 | 0 | 121.2 | |||||
| 370 | R | 30.8 | Very low | 30.4 | Very low | 221 Ų | 221 | 143 Ų | 143 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 54.7 | 150.8 | 133.6 | -68.3 | -171.6 | 171.8 | -148.8 | -2.4 | 125 | ||||
| 371 | Q | 31.8 | Very low | 31.4 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 74.9 | 151.9 | 160.1 | -76.1 | 166.8 | -39.9 | 0 | 0 | 117.1 | ||||
| 372 | A | 27.8 | Very low | 31.5 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | cis | -134.1 | -173.8 | 7.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 373 | C | 30.8 | Very low | 31.6 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -110.1 | 167.9 | -174.4 | -47.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 374 | M | 30.4 | Very low | 32.4 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | 173.3 | 143.9 | 122.9 | -96.4 | -52.2 | -160.9 | 0 | 0 | 115.6 | |||||
| 375 | Y | 33 | Very low | 32.9 | Very low | 202 Ų | 202 | 133.1 Ų | 133.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | 51.1 | 169.3 | 157.3 | -60.1 | -57.4 | 0 | 0 | 0 | 121.6 | ||||
| 376 | A | 27.8 | Very low | 33.6 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | -176 | 149.9 | -62.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 377 | S | 27.7 | Very low | 33.6 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 66.4 | 155.6 | 164.9 | -67.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 378 | S | 31.8 | Very low | 33.9 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -166.6 | 146.6 | -12.6 | 44.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 379 | A | 36 | Very low | 34.1 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 158.6 | 148 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 380 | P | 43.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -113.6 | -155.8 | -171.2 | 46.7 | -33.1 | 0 | 0 | 0 | 110.8 | ||||
| 381 | P | 47.6 | Very low | 34.3 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | cis | -141.7 | -163.1 | 1.3 | 35.3 | -10.3 | 0 | 0 | 0 | 116.6 | ||||
| 382 | T | 31.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 111 | 119 | 155.5 | 64.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 383 | D | 31.6 | Very low | 34.3 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 161.4 | 161.9 | -50.9 | -82.3 | 0 | 0 | 0 | 110.6 | ||||
| 384 | P | 45.7 | Very low | 34.3 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -144.1 | 167.5 | 83.1 | 37.1 | -20 | 0 | 0 | 0 | 116.1 | |||||
| 385 | V | 35.3 | Very low | 34.5 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -99.7 | 141.5 | 179.6 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 386 | P | 43.4 | Very low | 34.7 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | -146.6 | 164.6 | 128.4 | 38 | -22.9 | 0 | 0 | 0 | 117 | |||||
| 387 | S | 29.6 | Very low | 35.2 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 61.6 | 113.6 | 152.7 | 54.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 388 | L | 36 | Very low | 35.4 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -49.9 | 132.2 | 151.2 | 175.6 | 82.4 | 0 | 0 | 0 | 114.1 | ||||
| 389 | E | 33.8 | Very low | 35.5 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -177.5 | 173.4 | 125.6 | -98.4 | 171.2 | -175.4 | 0 | 0 | 111.1 | |||||
| 390 | D | 32 | Very low | 35.5 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 73.5 | 80.6 | -179.8 | -71.5 | -19.4 | 0 | 0 | 0 | 121.8 | ||||
| 391 | I | 34.2 | Very low | 34.7 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | 31.4 | 112.5 | 119.3 | -49.6 | 162.6 | 0 | 0 | 0 | 118.9 | |||||
| 392 | S | 27.1 | Very low | 33.9 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -171.9 | 162.1 | 125.3 | -164.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 393 | C | 31.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 72% | 0.716 | 80% | 0.8 | S | S | * | * | trans | -99.1 | 164.7 | -177 | -70.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 394 | N | 31.9 | Very low | 33.8 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 85.4 | 85.1 | 169.4 | -48 | -50.4 | 0 | 0 | 0 | 117.7 | ||||
| 395 | T | 33.1 | Very low | 32.9 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | -167.3 | 135.1 | 129.8 | -79.3 | 0 | 0 | 0 | 0 | 109 | P397 | T395-P397 WeakPolarHBondContact O-CD 3.47Š| |||
| 396 | W | 38.5 | Very low | 32.9 | Very low | 245 Ų | 245 | 138 Ų | 138 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 119.2 | 171.5 | -73.5 | 84.8 | 0 | 0 | 0 | 109.7 | ||
| 397 | P | 36.4 | Very low | 32.3 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.5 | 174.5 | 29.3 | -32.5 | 0 | 0 | 0 | 111.1 | T395 | T395-P397 WeakPolarHBondContact O-CD 3.47Š|
| 398 | S | 32.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62 | 133.1 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | P400 | S398-P400 WeakPolarHBondContact O-CD 3.35Š|
| 399 | V | 35.7 | Very low | 32.2 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.5 | 175.5 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | S401 | V399-S401 PolarHBondContact O-N 3.37Š|
| 400 | P | 35.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.6 | 174.1 | -22.4 | 34.2 | 0 | 0 | 0 | 112 | S398 Y402 | S398-P400 WeakPolarHBondContact O-CD 3.35Å; P400-Y402 PolarHBondContact O-N 3.28Å |
| 401 | S | 27.4 | Very low | 32.5 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -68.8 | 111.6 | 170.6 | -63 | 0 | 0 | 0 | 0 | 110.2 | V399 S403 | V399-S401 PolarHBondContact O-N 3.37Å; S401-S403 PolarHBondContact O-N 3.45Å; S401-S403 VanDerWaalsContact O-N 3.11Å | ||
| 402 | Y | 29.1 | Very low | 32.8 | Very low | 232 Ų | 232 | 137 Ų | 137 | 91% | 0.91 | 81% | 0.808 | S | S | * | * | trans | -64.8 | 111.3 | 169.3 | -106 | -91.5 | 0 | 0 | 0 | 109.9 | P400 | P400-Y402 PolarHBondContact O-N 3.28Š| ||
| 403 | S | 32.1 | Very low | 33.2 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -76.5 | 143.5 | 173.9 | 43.5 | 0 | 0 | 0 | 0 | 111.3 | S401 | S401-S403 PolarHBondContact O-N 3.45Å; S401-S403 VanDerWaalsContact O-N 3.11Å | ||
| 404 | S | 29.8 | Very low | 33.4 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | trans | -29.1 | 126.1 | 169.1 | 51.1 | 0 | 0 | 0 | 0 | 116 | T406 | S404-T406 PolarHBondContact O-N 2.6Š| ||
| 405 | C | 27.1 | Very low | 33.6 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | trans | -62.5 | 115.5 | 153.3 | -61.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 406 | T | 34.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 135.3 | 174.7 | 40.1 | 0 | 0 | 0 | 0 | 110.6 | S404 | S404-T406 PolarHBondContact O-N 2.6Š|
| 407 | V | 30.7 | Very low | 33.9 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 125 | 179 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | A409 | V407-A409 PolarHBondContact O-N 3.03Š|
| 408 | S | 32.1 | Very low | 33.6 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 122.3 | 168.8 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 409 | A | 32.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 127 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V407 | V407-A409 PolarHBondContact O-N 3.03Š|
| 410 | M | 35.1 | Very low | 33.5 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -111.7 | 146.3 | 164.5 | -59.5 | -167.1 | 81.9 | 0 | 0 | 109.1 | ||||
| 411 | Q | 36.7 | Very low | 33.4 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -74.6 | 160.6 | 179.3 | -96.5 | -171.6 | -14.4 | 0 | 0 | 112.2 | ||||
| 412 | P | 40.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -71.9 | 151.7 | -164.6 | 28.9 | -36.3 | 0 | 0 | 0 | 113.7 | ||||
| 413 | M | 36 | Very low | 34 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | -135.2 | 146.4 | 170.3 | -122.3 | -69.9 | -175 | 0 | 0 | 108.2 | ||||
| 414 | D | 35.8 | Very low | 34 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -74.2 | 153.4 | -162.2 | -79.5 | -67.6 | 0 | 0 | 0 | 115.6 | ||||
| 415 | R | 36 | Very low | 34.1 | Very low | 243 Ų | 243 | 157.2 Ų | 157.2 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -79.2 | 122.2 | 177.2 | -85.6 | 179.5 | 164.5 | 171.2 | -4.3 | 111.6 | ||||
| 416 | L | 37.5 | Very low | 34.4 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -110.5 | 135.8 | 154.4 | -65.6 | 177.2 | 0 | 0 | 0 | 109.7 | ||||
| 417 | P | 39.2 | Very low | 34.3 | Very low | 124 Ų | 124 | 157.2 Ų | 157.2 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 131.7 | -175 | 31.8 | -33.8 | 0 | 0 | 0 | 112.5 | ||
| 418 | Y | 30.3 | Very low | 34.5 | Very low | 219 Ų | 219 | 153.9 Ų | 153.9 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 145 | 171.5 | -164.1 | -96.1 | 0 | 0 | 0 | 111.1 | ||
| 419 | Q | 35.5 | Very low | 34.6 | Very low | 165 Ų | 165 | 154.8 Ų | 154.8 | 77% | 0.771 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78 | 150.2 | -175.1 | -72.5 | -171.1 | -19.2 | 0 | 0 | 113.4 | ||
| 420 | H | 31 | Very low | 34.8 | Very low | 170 Ų | 170 | 158.3 Ų | 158.3 | 79% | 0.787 | 84% | 0.836 | S | S | * | * | trans | -96.8 | 113.7 | 174.1 | -153.5 | -71.7 | 0 | 0 | 0 | 109.8 | S422 | H420-S422 PolarHBondContact ND1-OG 3.1Š| ||
| 421 | F | 33.8 | Very low | 35 | Very low | 187 Ų | 187 | 158.1 Ų | 158.1 | 82% | 0.82 | 84% | 0.835 | S | S | * | * | trans | -72.6 | 135.9 | 162.3 | -84.2 | -92.4 | 0 | 0 | 0 | 109.1 | ||||
| 422 | S | 34.9 | Very low | 35 | Very low | 98 Ų | 98 | 154.6 Ų | 154.6 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | -134.5 | 128 | 172 | -71.7 | 0 | 0 | 0 | 0 | 108.7 | H420 | H420-S422 PolarHBondContact ND1-OG 3.1Š| ||
| 423 | A | 33.1 | Very low | 34.7 | Very low | 99 Ų | 99 | 160.2 Ų | 160.2 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -71.5 | 147.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 424 | H | 32.9 | Very low | 34.5 | Very low | 181 Ų | 181 | 160.1 Ų | 160.1 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -69.2 | 133.5 | 172.6 | -60.1 | -87.1 | 0 | 0 | 0 | 111 | ||||
| 425 | F | 32.3 | Very low | 34.3 | Very low | 210 Ų | 210 | 157.9 Ų | 157.9 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -132.9 | 134.4 | 155.2 | -110.6 | -87 | 0 | 0 | 0 | 108.6 | ||||
| 426 | T | 33.2 | Very low | 34 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -108.4 | 129.1 | -172.6 | 46.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 427 | S | 32 | Very low | 33.8 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -153.2 | 86.3 | 171.3 | 61 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 428 | G | 35.5 | Very low | 33.4 | Very low | 70 Ų | 70 | 148.6 Ų | 148.6 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -94.4 | 145 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 429 | P | 34 | Very low | 33.4 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -80.8 | 140.4 | 171.8 | 33 | -32.8 | 0 | 0 | 0 | 110.9 | ||||
| 430 | L | 36.4 | Very low | 33.3 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | trans | -129.6 | 132.3 | 168.4 | -73 | 176.5 | 0 | 0 | 0 | 110.5 | ||||
| 431 | M | 38.4 | Very low | 33.3 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | trans | -85.2 | 160.4 | 175.3 | -89.5 | -71.5 | 174.3 | 0 | 0 | 111.2 | ||||
| 432 | P | 37.9 | Very low | 33.1 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | -75.7 | 157.2 | -159.9 | 29.8 | -36.8 | 0 | 0 | 0 | 114.5 | ||||
| 433 | R | 32.6 | Very low | 33.5 | Very low | 240 Ų | 240 | 142.6 Ų | 142.6 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -117.2 | 126.9 | 164.9 | -75.5 | -71.6 | -175.6 | 159 | -1.3 | 109.4 | ||||
| 434 | L | 32.7 | Very low | 33.4 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | trans | -76.9 | 133.3 | 169 | -76 | 159.9 | 0 | 0 | 0 | 109.5 | ||||
| 435 | S | 30.6 | Very low | 33.4 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -142.8 | 138.1 | 169 | -75 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 436 | S | 29.5 | Very low | 33.3 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -36.8 | 139 | 179.7 | -170.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 437 | V | 33.3 | Very low | 33.2 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -120.4 | 118.9 | 155.7 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 438 | A | 31.9 | Very low | 33.1 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | trans | -101.3 | 147.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 439 | N | 30.8 | Very low | 33.1 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | trans | -41.5 | 137.3 | -176.4 | -50.9 | -30.4 | 0 | 0 | 0 | 115.6 | ||||
| 440 | H | 33.5 | Very low | 33.1 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | -142.3 | 153 | 134.2 | -78.7 | -57.3 | 0 | 0 | 0 | 110.3 | ||||
| 441 | T | 30.3 | Very low | 33 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | -94.7 | 157 | -161 | 41.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 442 | S | 29.4 | Very low | 32.8 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -141.6 | 132.1 | 169.7 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 443 | P | 43 | Very low | 32.6 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -104 | 125.7 | 173.4 | 34.9 | -27.3 | 0 | 0 | 0 | 113 | ||||
| 444 | Q | 32.3 | Very low | 32.6 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -113.4 | 121.1 | 151.9 | -69.2 | -82.2 | -2.5 | 0 | 0 | 104.5 | ||||
| 445 | I | 32.1 | Very low | 32.5 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | 57 | 108.2 | 78.1 | -58.3 | 178.8 | 0 | 0 | 0 | 110.8 | |||||
| 446 | G | 29.7 | Very low | 32.6 | Very low | 70 Ų | 70 | 145.9 Ų | 145.9 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 175.8 | 91 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 447 | D | 30.5 | Very low | 32.7 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 7 | 129.6 | 165.5 | -50.9 | -42.8 | 0 | 0 | 0 | 120.7 | ||||
| 448 | T | 31.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | 176.7 | 163.3 | 99.6 | 31.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 449 | H | 35 | Very low | 32.8 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | 105.6 | 120.2 | 164.4 | -68.3 | -80 | 0 | 0 | 0 | 118.1 | ||||
| 450 | S | 33.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -114.4 | 137.8 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 451 | M | 35.3 | Very low | 32.8 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -153.5 | 159.9 | 157.4 | -86.1 | -137 | -77.2 | 0 | 0 | 111.2 | ||||
| 452 | F | 34.2 | Very low | 33.6 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -82 | 151.5 | -170.5 | -74.9 | -118.6 | 0 | 0 | 0 | 113.5 | ||||
| 453 | Q | 32.4 | Very low | 34 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -177.4 | 170.6 | 100.7 | -97.8 | -168.6 | -2.5 | 0 | 0 | 114.4 | |||||
| 454 | H | 33 | Very low | 33.4 | Very low | 169 Ų | 169 | 148 Ų | 148 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 154.7 | -176.1 | -58.2 | -105.3 | 0 | 0 | 0 | 113.8 | ||||
| 455 | Q | 30.5 | Very low | 33.3 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | -166.6 | 172.5 | 110.1 | -108.3 | 174.8 | 69.4 | 0 | 0 | 114.6 | |||||
| 456 | T | 33.4 | Very low | 33.4 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | trans | -113.4 | 151.9 | -167.6 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 457 | S | 31.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | 177.1 | 177.2 | 138.4 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 458 | V | 34.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -143.2 | 152.1 | -164.2 | -151.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 459 | S | 31.7 | Very low | 34.9 | Very low | 91 Ų | 91 | 151.7 Ų | 151.7 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | trans | 89 | 148.3 | 141.3 | 76.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 460 | H | 31.3 | Very low | 34.9 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | 91.5 | 132.8 | 154.6 | -65.9 | -61.4 | 0 | 0 | 0 | 123.7 | ||||
| 461 | Q | 34.7 | Very low | 34.9 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | trans | -97.9 | 164.3 | 169.5 | -92.3 | -103.6 | -14.6 | 0 | 0 | 109.9 | ||||
| 462 | P | 46.8 | Very low | 34.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -154.3 | 129.6 | 108.1 | 35.2 | -15.5 | 0 | 0 | 0 | 118.9 | |||||
| 463 | I | 36.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | 35.4 | 128 | 119.3 | -53.2 | 171.1 | 0 | 0 | 0 | 120.9 | |||||
| 464 | V | 30.7 | Very low | 34.5 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 171.6 | 144.3 | 146 | 132.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 465 | R | 30.1 | Very low | 34.5 | Very low | 239 Ų | 239 | 141.6 Ų | 141.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | cis | -152.3 | -150.6 | -18.8 | -138.9 | -180 | -169.8 | -172.8 | 2.3 | 110 | ||||
| 466 | Q | 35.3 | Very low | 35.5 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 170.3 | -168.1 | -154.1 | 177.8 | 24 | 0 | 0 | 114.7 | ||||
| 467 | C | 31.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 102 | 150.5 | 159.3 | -60 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 468 | G | 28.5 | Very low | 36.5 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -105 | -133.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 469 | P | 62 | Low | 36.3 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -146.2 | -159 | 1.5 | 35.4 | -8.9 | 0 | 0 | 0 | 116.5 | ||||
| 470 | Q | 34 | Very low | 36.4 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | 115 | 141.4 | 148.6 | -77.2 | -70.8 | 9.1 | 0 | 0 | 124.9 | ||||
| 471 | T | 33.9 | Very low | 36.6 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 61.9 | 151.6 | 166.7 | 60.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 472 | G | 29.8 | Very low | 36.6 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | 169.2 | 154.1 | -14.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 473 | I | 34.2 | Very low | 36 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 76.9 | 121.2 | 149.5 | -66.4 | 178 | 0 | 0 | 0 | 123.9 | ||||
| 474 | Q | 29.6 | Very low | 35.7 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 65 | 163.3 | 146.2 | -71.3 | 172.9 | 21.2 | 0 | 0 | 125.3 | ||||
| 475 | S | 32.4 | Very low | 35.8 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -138.6 | -168.1 | -177.7 | 63.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 476 | P | 52.3 | Low | 35.9 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -133.1 | -139.8 | 2.9 | 44.9 | -23.3 | 0 | 0 | 0 | 111.2 | ||||
| 477 | P | 56.1 | Low | 35.6 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | cis | -134.6 | 179 | -23.2 | 39.6 | -21.8 | 0 | 0 | 0 | 117.2 | ||||
| 478 | S | 30.8 | Very low | 35.6 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 108.2 | 131.9 | 136.6 | 78.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 479 | N | 29.4 | Very low | 35.8 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | 56.2 | 107.4 | 147.3 | -81.4 | -8.1 | 0 | 0 | 0 | 123.3 | ||||
| 480 | L | 33.6 | Very low | 34.4 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | -173.2 | 162.8 | 89.9 | -98.1 | 168.2 | 0 | 0 | 0 | 112.2 | |||||
| 481 | Q | 36 | Very low | 34.7 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -106.9 | 156.7 | -178.8 | -72.5 | -172.8 | -28.6 | 0 | 0 | 113.4 | ||||
| 482 | P | 34.9 | Very low | 35.2 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 144.3 | 144.4 | 35.4 | -28.9 | 0 | 0 | 0 | 110.9 | ||
| 483 | A | 33.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 153.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 484 | E | 30.8 | Very low | 35.8 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 158.8 | 172.9 | -54.2 | 176 | 121.8 | 0 | 0 | 112 | ||
| 485 | F | 31.8 | Very low | 35.8 | Very low | 217 Ų | 217 | 142.2 Ų | 142.2 | 95% | 0.952 | 79% | 0.787 | S | S | * | * | -146.6 | 132.5 | 127.9 | -105.7 | -71.5 | 0 | 0 | 0 | 110.1 | |||||
| 486 | L | 33.2 | Very low | 35.9 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 61% | 0.607 | 79% | 0.789 | S | S | * | * | trans | -94.3 | 153.8 | -174.1 | -68.5 | 157.3 | 0 | 0 | 0 | 111.3 | ||||
| 487 | Y | 29.7 | Very low | 36.1 | Very low | 230 Ų | 230 | 142.2 Ų | 142.2 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | -151.6 | 151.5 | 117.3 | -108.5 | -74 | 0 | 0 | 0 | 109.9 | |||||
| 488 | S | 30.4 | Very low | 34.9 | Very low | 87 Ų | 87 | 145 Ų | 145 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | -138.1 | 155.5 | -175.1 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 489 | H | 34.2 | Very low | 35 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | 161.8 | 141.2 | 151.7 | -79.6 | -49.7 | 0 | 0 | 0 | 106.9 | ||||
| 490 | G | 31.2 | Very low | 35.3 | Very low | 70 Ų | 70 | 151.5 Ų | 151.5 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | cis | 173.7 | 123 | -7.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 491 | V | 40.3 | Very low | 35.3 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -102.7 | 147.4 | -177.6 | -174 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 492 | P | 44.8 | Very low | 35.3 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -127.6 | 138.5 | 136.3 | 34.9 | -26.4 | 0 | 0 | 0 | 112.6 | ||||
| 493 | R | 40.3 | Very low | 35.2 | Very low | 223 Ų | 223 | 149.1 Ų | 149.1 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -84.4 | 154.2 | 161.4 | -67.8 | 175 | 170.8 | 174.6 | -4.1 | 108.5 | ||||
| 494 | T | 36.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | 168.4 | 171.2 | 113.4 | 37.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 495 | L | 30.6 | Very low | 35.2 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | 90.4 | 138.4 | 167.3 | -52.8 | -178 | 0 | 0 | 0 | 118.1 | ||||
| 496 | S | 33.2 | Very low | 35.3 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -150.5 | -170.1 | 174.7 | -54.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 497 | P | 55.9 | Low | 35.1 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | -120.3 | 147.2 | -100.3 | 34.8 | -18.9 | 0 | 0 | 0 | 115.2 | |||||
| 498 | H | 31.8 | Very low | 35.3 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -131.3 | 125.1 | 161 | -69.1 | -71.1 | 0 | 0 | 0 | 107.7 | ||||
| 499 | Q | 34 | Very low | 35.8 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | 62.4 | 112 | 73.4 | -78.3 | -174.9 | -42.9 | 0 | 0 | 113.7 | |||||
| 500 | Y | 35 | Very low | 36.3 | Very low | 239 Ų | 239 | 139.4 Ų | 139.4 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | trans | -136.5 | 150.1 | 153.9 | -110.8 | -90.2 | 0 | 0 | 0 | 108.7 | ||||
| 501 | H | 32.4 | Very low | 36.4 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -94.4 | 163.8 | -167.5 | -99.6 | -101 | 0 | 0 | 0 | 114.7 | ||||
| 502 | S | 36.3 | Very low | 36.3 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 157.7 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 503 | V | 33.5 | Very low | 36.2 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -134.8 | 139.5 | 164.1 | -176.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 504 | H | 34.4 | Very low | 36.6 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 155.9 | -178.6 | -77.4 | -110.8 | 0 | 0 | 0 | 113.5 | ||||
| 505 | G | 30.4 | Very low | 36.9 | Very low | 76 Ų | 76 | 146.9 Ų | 146.9 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -170.3 | 106.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 506 | V | 32.8 | Very low | 37.4 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -44.1 | 142.1 | 166.9 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 507 | G | 30.2 | Very low | 37.7 | Very low | 62 Ų | 62 | 150.2 Ų | 150.2 | 64% | 0.639 | 82% | 0.821 | S | S | * | * | cis | 118.9 | 119.5 | 12 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 508 | M | 32.3 | Very low | 36.7 | Very low | 180 Ų | 180 | 152.3 Ų | 152.3 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -163.9 | 143.8 | 170.7 | -97.5 | -98.1 | 76.7 | 0 | 0 | 109.5 | ||||
| 509 | V | 40.9 | Very low | 37 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 74% | 0.739 | 83% | 0.83 | S | S | * | * | trans | -117.4 | 140.1 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 510 | P | 45.7 | Very low | 37.1 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 71% | 0.708 | 84% | 0.837 | S | S | * | * | trans | -107.3 | 103.3 | 156.7 | 32.1 | -21.1 | 0 | 0 | 0 | 110.2 | ||||
| 511 | E | 33.5 | Very low | 37.3 | Very low | 156 Ų | 156 | 146 Ų | 146 | 73% | 0.729 | 83% | 0.831 | S | S | * | * | trans | -66.8 | 141.7 | 166.2 | -176.2 | -173.8 | 140.5 | 0 | 0 | 109.7 | S513 | E511-S513 PolarHBondContact OE1-OG 3.14Š| ||
| 512 | W | 37.5 | Very low | 37.6 | Very low | 245 Ų | 245 | 144.3 Ų | 144.3 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | trans | -128.3 | 111 | 169.3 | -85.6 | 65.2 | 0 | 0 | 0 | 108.6 | ||||
| 513 | S | 42.6 | Very low | 37.7 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 66% | 0.657 | 84% | 0.841 | S | S | * | * | trans | -93.8 | 156.7 | -170.5 | -17.4 | 0 | 0 | 0 | 0 | 112.4 | E511 | E511-S513 PolarHBondContact OE1-OG 3.14Š| ||
| 514 | E | 49 | Very low | 38 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | trans | -72.4 | 123.9 | 168.3 | -71.5 | 171.5 | 77.3 | 0 | 0 | 111.3 | ||||
| 515 | N | 42.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | 165.5 | 120.2 | 124.7 | -88.9 | -44.1 | 0 | 0 | 0 | 112.4 | |||||
| 516 | S | 42.1 | Very low | 39 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 100% | 1.343 | 84% | 0.842 | S | S | * | * | trans | -166.7 | 0 | 131 | -171.7 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 516 of 516 residues in 231 ms
(Link to these results)