| 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 | 42.5 | Very low | 49.1 | Very low | 246 Ų | 246 | 176.7 Ų | 176.7 | 100% | 1.212 | 88% | 0.876 | S | S | * | * | 0 | 69 | 0 | -65.4 | 171.4 | -177.2 | 0 | 0 | 108.8 | |||||
| 2 | Y | 40 | Very low | 48.7 | Very low | 231 Ų | 231 | 172.4 Ų | 172.4 | 91% | 0.906 | 87% | 0.87 | S | S | * | * | trans | -87.5 | 119 | 170.2 | -81.3 | -87.5 | 0 | 0 | 0 | 107.6 | ||||
| 3 | N | 44.7 | Very low | 48.5 | Very low | 134 Ų | 134 | 166.2 Ų | 166.2 | 72% | 0.717 | 86% | 0.861 | S | S | * | * | trans | 173.8 | 107.1 | 152.7 | -102 | -9 | 0 | 0 | 0 | 111.2 | ||||
| 4 | M | 55.3 | Low | 48.2 | Very low | 196 Ų | 196 | 163.5 Ų | 163.5 | 97% | 0.966 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -160.1 | 16.4 | 150.9 | -88.6 | -122.9 | -70.2 | 0 | 0 | 112.6 | ||
| 5 | M | 59.6 | Low | 47.6 | Very low | 187 Ų | 187 | 165.5 Ų | 165.5 | 92% | 0.921 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -136.8 | 32.6 | 178.7 | 40.3 | -153.8 | -178.9 | 0 | 0 | 114 | ||
| 6 | E | 51.2 | Low | 46.9 | Very low | 163 Ų | 163 | 163.6 Ų | 163.6 | 76% | 0.762 | 86% | 0.86 | S | S | * | * | trans | -125.8 | 99.3 | 164.1 | -92.1 | 179.8 | 130.9 | 0 | 0 | 110 | ||||
| 7 | T | 47.8 | Very low | 46.3 | Very low | 140 Ų | 140 | 163.2 Ų | 163.2 | 86% | 0.859 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -143.2 | 102.1 | 146.5 | 24.1 | 0 | 0 | 0 | 0 | 107.3 | ||
| 8 | E | 42 | Very low | 45.6 | Very low | 165 Ų | 165 | 162 Ų | 162 | 77% | 0.771 | 86% | 0.86 | S | S | * | * | trans | 66.3 | 92 | 151.3 | -64.9 | -66.2 | 130.3 | 0 | 0 | 119.2 | ||||
| 9 | L | 49.1 | Very low | 45.2 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 95% | 0.953 | 86% | 0.86 | S | S | * | * | trans | -82.9 | 108.2 | 146.1 | -78.6 | 162.2 | 0 | 0 | 0 | 109.1 | ||||
| 10 | K | 58.8 | Low | 44.3 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 77% | 0.774 | 86% | 0.856 | S | S | * | * | trans | -127.3 | 126 | 159.8 | -171.6 | 130.7 | 179 | 173.9 | 0 | 109.3 | ||||
| 11 | P | 49.1 | Very low | 44 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 79% | 0.792 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 134.5 | 179.9 | 33.2 | -30.5 | 0 | 0 | 0 | 110.7 | ||
| 12 | P | 44.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 137.4 | 157.8 | 31.8 | -26.6 | 0 | 0 | 0 | 110.6 | ||
| 13 | A | 45 | Very low | 43.5 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62 | 168.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 14 | P | 44.9 | Very low | 43.3 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 130.6 | -159.4 | 32.9 | -31.3 | 0 | 0 | 0 | 111.5 | ||
| 15 | Q | 38.8 | Very low | 42.4 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -122.1 | 137.3 | 159.5 | -70.5 | -150.8 | -6.3 | 0 | 0 | 111.1 | ||||
| 16 | T | 36.3 | Very low | 41.5 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -66 | 131.1 | -172.8 | 46.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 17 | N | 38 | Very low | 41.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | 37.3 | 109.5 | 134.4 | -136.3 | 15.9 | 0 | 0 | 0 | 118.9 | ||||
| 18 | T | 32 | Very low | 40.8 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | -165 | 131.6 | 129.8 | 41.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 19 | G | 38 | Very low | 40.6 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -65.7 | 150 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 20 | G | 28.5 | Very low | 40.1 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -164.1 | 108.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | T | 37.7 | Very low | 39.2 | Very low | 148 Ų | 148 | 121.6 Ų | 121.6 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | trans | -54.7 | 125.3 | -173.8 | -29.2 | 0 | 0 | 0 | 0 | 113 | N23 | T21-N23 PolarHBondContact O-N 3.39Š| ||
| 22 | G | 32.3 | Very low | 38.9 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -73.1 | 109.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T24 | G22-T24 PolarHBondContact O-N 3.49Š| ||
| 23 | N | 39.3 | Very low | 39.1 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -70.6 | 111.1 | 176.3 | -159.5 | -0.8 | 0 | 0 | 0 | 110.7 | T21 | T21-N23 PolarHBondContact O-N 3.39Š| ||
| 24 | T | 40.8 | Very low | 39.1 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -109.1 | 90.6 | 166.8 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | G22 T26 | G22-T24 PolarHBondContact O-N 3.49Å; T24-T26 PolarHBondContact O-N 2.73Å; T24-T26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | N | 35.9 | Very low | 39 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -63.2 | 106.5 | 165.8 | -82.7 | -33.4 | 0 | 0 | 0 | 109.7 | ||||
| 26 | T | 41.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -119.3 | 116.7 | 163.8 | -5.1 | 0 | 0 | 0 | 0 | 106.3 | T24 G28 | T24-T26 PolarHBondContact O-N 2.73Å; T24-T26 VanDerWaalsContact O-N 3.09Å; T26-G28 PolarHBondContact O-N 3.2Å | ||
| 27 | P | 45 | Very low | 40.8 | Very low | 135 Ų | 135 | 124 Ų | 124 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -81.3 | 115.6 | 177.9 | 31.4 | -28 | 0 | 0 | 0 | 108 | ||||
| 28 | G | 39.4 | Very low | 43 | Very low | 63 Ų | 63 | 125.4 Ų | 125.4 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | 143.4 | 91.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114 | T26 | T26-G28 PolarHBondContact O-N 3.2Š| ||
| 29 | N | 38 | Very low | 45.6 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -163.3 | 140.4 | 132.3 | -113.3 | -70 | 0 | 0 | 0 | 111.1 | ||||
| 30 | G | 37.2 | Very low | 48.2 | Very low | 50 Ų | 50 | 127 Ų | 127 | 52% | 0.515 | 75% | 0.748 | S | S | . | * | trans | -63.1 | 175 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N32 | G30-N32 PolarHBondContact O-N 3.11Š| ||
| 31 | P | 41.2 | Very low | 51.4 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 96% | 0.955 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -79.3 | 40.5 | -157.5 | 32.9 | -37.6 | 0 | 0 | 0 | 115.4 | ||
| 32 | N | 42.8 | Very low | 54.2 | Low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -142.3 | 49.7 | -174.3 | -154.3 | 1.5 | 0 | 0 | 0 | 116.3 | G30 | G30-N32 PolarHBondContact O-N 3.11Š| ||
| 33 | Q | 48.9 | Very low | 57.4 | Low | 150 Ų | 150 | 130.6 Ų | 130.6 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -141.5 | 40.1 | 174.4 | -68.3 | -69.2 | 2.5 | 0 | 0 | 113.4 | ||||
| 34 | K | 45.3 | Very low | 60.1 | Low | 203 Ų | 203 | 127.3 Ų | 127.3 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -87.6 | -7.1 | 179.4 | -74.1 | -172.3 | 177.9 | -177.2 | 0 | 115.6 | ||
| 35 | N | 42 | Very low | 62.9 | Low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -125.6 | 12.9 | -169.3 | -67.7 | -5.5 | 0 | 0 | 0 | 116.3 | ||
| 36 | S | 52.8 | Low | 65.8 | Low | 65 Ų | 65 | 119.9 Ų | 119.9 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -98.9 | 132.3 | 168.8 | 61.8 | 0 | 0 | 0 | 0 | 109.8 | E38 | S36-E38 PolarHBondContact O-N 2.99Š|
| 37 | P | 59.8 | Low | 68.5 | Low | 123 Ų | 123 | 116.4 Ų | 116.4 | 80% | 0.799 | 62% | 0.624 | S | S | * | * | trans | -51.4 | 131.8 | 168.6 | 23.9 | -33.2 | 0 | 0 | 0 | 107.9 | R39 | P37-R39 PolarHBondContact O-N 3.35Š| ||
| 38 | E | 83.3 | Confident | 71.1 | Confident | 185 Ų | 185 | 113.9 Ų | 113.9 | 86% | 0.864 | 60% | 0.601 | S | S | * | * | trans | -52.1 | 103.5 | -170.6 | -179.1 | 147.1 | -161.7 | 0 | 0 | 110.2 | S36 V40 | S36-E38 PolarHBondContact O-N 2.99Å; E38-V40 PolarHBondContact O-N 3.19Å | ||
| 39 | R | 87.5 | Confident | 73.9 | Confident | 209 Ų | 209 | 112.3 Ų | 112.3 | 79% | 0.789 | 58% | 0.579 | S | S | * | * | trans | -68.7 | 112.5 | -176.6 | 176.2 | -178.1 | -72 | 149.5 | 2.3 | 107.9 | P37 K41 | P37-R39 PolarHBondContact O-N 3.35Å; R39-K41 PolarHBondContact O-N 3.35Å; R39-K41 VanDerWaalsContact O-N 3.16Å | ||
| 40 | V | 93.3 | Very high | 76.8 | Confident | 51 Ų | 51 | 105.2 Ų | 105.2 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 119.7 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | E38 H100 H104 Y107 | E38-V40 PolarHBondContact O-N 3.19Å; V40-H100 WeakPolarHBondContact CG1-CE1 3.29Å; V40-H104 HydrophobicContact CG1-CB 4.42Å; V40-Y107 HydrophobicContact CB-CD2 3.86Å; V40-Y107 HydrophobicContact CB-CE2 4.02Å; V40-Y107 HydrophobicContact CG1-CD2 3.49Å; V40-Y107 VanDerWaalsContact CG1-CD2 3.49Å; V40-Y107 HydrophobicContact CG1-CE2 3.73Å; V40-Y107 HydrophobicContact CG1-CG 4.49Å |
| 41 | K | 95.4 | Very high | 79.6 | Confident | 179 Ų | 179 | 102.9 Ų | 102.9 | 78% | 0.778 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 154.7 | 178 | -75.7 | 168.4 | 174.6 | 153.7 | 0 | 110.2 | R39 H100 | R39-K41 PolarHBondContact O-N 3.35Å; R39-K41 VanDerWaalsContact O-N 3.16Å; K41-H100 PolarHBondContact O-CE1 3.23Å; K41-H100 PolarHBondContact O-NE2 2.87Å |
| 42 | R | 97.2 | Very high | 82.3 | Confident | 150 Ų | 150 | 103.7 Ų | 103.7 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 147.3 | 174.8 | -61.5 | 174.9 | -160.8 | -153.7 | 17.8 | 110.5 | Y107 Y109 | R42-Y107 WeakPolarHBondContact CG-OH 3.4Å; R42-Y109 VanDerWaalsContact NH1-CE2 3.32Å; R42-Y109 PolarHBondContact NH1-OH 3.48Å; R42-Y109 VanDerWaalsContact NH1-OH 3.14Å; R42-Y109 PolarHBondContact NH2-OH 3.37Å |
| 43 | P | 97.6 | Very high | 84.9 | Confident | 42 Ų | 42 | 98.3 Ų | 98.3 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 149.2 | 167.9 | 28.4 | -33 | 0 | 0 | 0 | 110.2 | R97 H100 | P43-R97 HydrophobicContact CG-CB 4.48Å; P43-H100 HydrophobicContact CB-CB 4.04Å; P43-H100 HydrophobicContact CG-CB 4.2Å |
| 44 | M | 97.9 | Very high | 87.2 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 34% | 0.335 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 134.4 | 178.3 | -68.6 | -176.3 | -71.8 | 0 | 0 | 110.3 | M48 V49 L96 | M44-M48 HydrophobicContact CB-CB 4.01Å; M44-M48 HydrophobicContact CG-CB 4.29Å; M44-V49 HydrophobicContact CB-CG2 3.8Å; M44-L96 HydrophobicContact CB-CD1 4.33Å; M44-L96 HydrophobicContact CE-CD1 4.05Å |
| 45 | N | 98.4 | Very high | 89.7 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 171.9 | 169.2 | 70 | 26.6 | 0 | 0 | 0 | 111 | F47 M48 V49 | N45-F47 PolarHBondContact O-N 2.97Å; N45-F47 PolarHBondContact OD1-N 3.34Å; N45-M48 PolarHBondContact O-N 3.14Å; N45-M48 WeakPolarHBondContact OD1-CB 3.45Å; N45-M48 VanDerWaalsContact OD1-CG 3.22Å; N45-M48 WeakPolarHBondContact OD1-CG 3.43Å; N45-M48 PolarHBondContact OD1-N 3.02Å; N45-V49 WeakPolarHBondContact O-CG2 3.36Å; N45-V49 PolarHBondContact O-N 3.35Å |
| 46 | A | 97.9 | Very high | 92.3 | Very high | 19 Ų | 19 | 88.9 Ų | 88.9 | 16% | 0.157 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -53.7 | -47.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M48 V49 W50 W78 I90 A93 | A46-M48 VanDerWaalsContact C-N 3.34Å; A46-M48 PolarHBondContact O-N 3.45Å; A46-V49 PolarHBondContact O-N 3.25Å; A46-W50 PolarHBondContact O-N 3.39Å; A46-W78 HydrophobicContact CB-CH2 4.14Å; A46-W78 HydrophobicContact CB-CZ2 4.11Å; A46-I90 HydrophobicContact CB-CB 4.48Å; A46-I90 HydrophobicContact CB-CG1 3.85Å; A46-A93 HydrophobicContact CB-CB 4.12Å; A46-A93 VanDerWaalsContact N-CB 3.29Å |
| 47 | F | 98.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 91.5 Ų | 91.5 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.5 | 171.2 | -100.5 | 0 | 0 | 0 | 112.3 | N45 W50 S51 W78 | N45-F47 PolarHBondContact O-N 2.97Å; N45-F47 PolarHBondContact OD1-N 3.34Å; F47-W50 AromaticContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CZ3 4.04Å; F47-W50 HydrophobicContact CE2-CE3 4.04Å; F47-W50 AromaticContact CE2-CZ3 3.73Å; F47-W50 HydrophobicContact CE2-CZ3 3.73Å; F47-S51 WeakPolarHBondContact O-CB 3.5Å; F47-S51 PolarHBondContact O-N 2.89Å; F47-S51 PolarHBondContact O-OG 2.9Å; F47-W78 HydrophobicContact CB-CD2 4.46Å; F47-W78 HydrophobicContact CD2-CB 3.77Å; F47-W78 AromaticContact CD2-CD1 3.92Å; F47-W78 AromaticContact CD2-CD2 3.96Å; F47-W78 HydrophobicContact CD2-CD2 3.96Å; F47-W78 AromaticContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CE2-CB 3.94Å; F47-W78 HydrophobicContact CE2-CG 4.25Å |
| 48 | M | 98.3 | Very high | 96.2 | Very high | 82 Ų | 82 | 87 Ų | 87 | 40% | 0.404 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 178.7 | -69.9 | -64.4 | 176.1 | 0 | 0 | 112 | M44 N45 A46 S51 R52 | M44-M48 HydrophobicContact CB-CB 4.01Å; M44-M48 HydrophobicContact CG-CB 4.29Å; N45-M48 PolarHBondContact O-N 3.14Å; N45-M48 WeakPolarHBondContact OD1-CB 3.45Å; N45-M48 VanDerWaalsContact OD1-CG 3.22Å; N45-M48 WeakPolarHBondContact OD1-CG 3.43Å; N45-M48 PolarHBondContact OD1-N 3.02Å; A46-M48 VanDerWaalsContact C-N 3.34Å; A46-M48 PolarHBondContact O-N 3.45Å; M48-S51 PolarHBondContact O-OG 3.49Å; M48-R52 PolarHBondContact O-N 3.26Å |
| 49 | V | 98.4 | Very high | 96.8 | Very high | 29 Ų | 29 | 80.1 Ų | 80.1 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -53.2 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | M44 N45 A46 R52 F89 E92 A93 L96 | M44-V49 HydrophobicContact CB-CG2 3.8Å; N45-V49 WeakPolarHBondContact O-CG2 3.36Å; N45-V49 PolarHBondContact O-N 3.35Å; A46-V49 PolarHBondContact O-N 3.25Å; V49-R52 PolarHBondContact O-N 3.15Å; V49-F89 HydrophobicContact CG1-CD1 4.2Å; V49-E92 HydrophobicContact CG1-CB 4.33Å; V49-E92 HydrophobicContact CG1-CG 3.88Å; V49-A93 HydrophobicContact CG2-CB 4.32Å; V49-L96 HydrophobicContact CG2-CD1 3.76Å |
| 50 | W | 98.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 77.8 Ų | 77.8 | 6% | 0.064 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -49.8 | 179.9 | 169.9 | 82.9 | 0 | 0 | 0 | 112.9 | A46 F47 R52 G53 Q54 L74 E77 W78 L81 F89 | A46-W50 PolarHBondContact O-N 3.39Å; F47-W50 AromaticContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CZ3 4.04Å; F47-W50 HydrophobicContact CE2-CE3 4.04Å; F47-W50 AromaticContact CE2-CZ3 3.73Å; F47-W50 HydrophobicContact CE2-CZ3 3.73Å; W50-R52 PolarHBondContact O-N 3.04Å; W50-R52 VanDerWaalsContact O-N 3.11Å; W50-G53 PolarHBondContact O-N 2.93Å; W50-Q54 HydrophobicContact CD2-CG 4.12Å; W50-Q54 HydrophobicContact CH2-CG 4.38Å; W50-Q54 HydrophobicContact CZ2-CG 3.79Å; W50-Q54 PolarHBondContact O-N 3.1Å; W50-L74 HydrophobicContact CH2-CB 4.24Å; W50-L74 HydrophobicContact CH2-CD2 3.96Å; W50-L74 VanDerWaalsContact CH2-O 3.26Å; W50-L74 WeakPolarHBondContact CH2-O 3.19Å; W50-L74 HydrophobicContact CZ3-CB 3.99Å; W50-L74 HydrophobicContact CZ3-CD2 4.27Å; W50-L74 VanDerWaalsContact CZ3-O 3.23Å; W50-L74 WeakPolarHBondContact CZ3-O 3.49Å; W50-E77 HydrophobicContact CH2-CB 3.85Å; W50-E77 HydrophobicContact CZ2-CB 4.24Å; W50-W78 HydrophobicContact CB-CE3 4.04Å; W50-W78 HydrophobicContact CB-CH2 4.4Å; W50-W78 HydrophobicContact CB-CZ3 3.57Å; W50-W78 AromaticContact CD2-CE3 3.44Å; W50-W78 HydrophobicContact CD2-CE3 3.44Å; W50-W78 VanDerWaalsContact CD2-CE3 3.44Å; W50-W78 AromaticContact CD2-CZ3 3.86Å; W50-W78 HydrophobicContact CD2-CZ3 3.86Å; W50-W78 AromaticContact CE2-CE3 3.99Å; W50-W78 HydrophobicContact CE3-CB 4.17Å; W50-W78 HydrophobicContact CE3-CD2 4.2Å; W50-W78 AromaticContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CZ3 4.27Å; W50-W78 AromaticContact CG-CE3 3.68Å; W50-W78 HydrophobicContact CG-CE3 3.68Å; W50-W78 AromaticContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CH2-CB 4.01Å; W50-W78 HydrophobicContact CZ3-CB 3.69Å; W50-W78 HydrophobicContact CZ3-CE3 4.18Å; W50-W78 HydrophobicContact CZ3-CG 4.47Å; W50-L81 HydrophobicContact CZ2-CD1 4.09Å; W50-L81 HydrophobicContact CZ2-CD2 4.36Å; W50-F89 HydrophobicContact CB-CB 4.21Å; W50-F89 HydrophobicContact CB-CD1 3.8Å; W50-F89 HydrophobicContact CB-CD2 4.15Å; W50-F89 HydrophobicContact CB-CE1 4.23Å; W50-F89 HydrophobicContact CB-CG 3.77Å; W50-F89 AromaticContact CD1-CD2 3.86Å; W50-F89 AromaticContact CD1-CE2 3.53Å; W50-F89 AromaticContact CD1-CZ 3.62Å; W50-F89 HydrophobicContact CG-CD2 4.34Å; W50-F89 HydrophobicContact CG-CE2 4.39Å; W50-F89 HydrophobicContact CG-CG 4.41Å |
| 51 | S | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.7 | -18.3 | -175.3 | 63.2 | 0 | 0 | 0 | 0 | 113 | F47 M48 R55 | F47-S51 WeakPolarHBondContact O-CB 3.5Å; F47-S51 PolarHBondContact O-N 2.89Å; F47-S51 PolarHBondContact O-OG 2.9Å; M48-S51 PolarHBondContact O-OG 3.49Å; S51-R55 WeakPolarHBondContact O-CA 3.43Å; S51-R55 WeakPolarHBondContact O-CB 3.37Å; S51-R55 PolarHBondContact O-N 3.4Å |
| 52 | R | 97.5 | Very high | 97.2 | Very high | 164 Ų | 164 | 75.3 Ų | 75.3 | 62% | 0.619 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.6 | -47.8 | 177.8 | -164.8 | 178.4 | -161.1 | -172.6 | 5.1 | 112 | M48 V49 W50 R56 | M48-R52 PolarHBondContact O-N 3.26Å; V49-R52 PolarHBondContact O-N 3.15Å; W50-R52 PolarHBondContact O-N 3.04Å; W50-R52 VanDerWaalsContact O-N 3.11Å; R52-R56 PolarHBondContact O-N 3.25Å |
| 53 | G | 96.4 | Very high | 97 | Very high | 31 Ų | 31 | 73.5 Ų | 73.5 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.9 | -46.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W50 R55 R56 K57 | W50-G53 PolarHBondContact O-N 2.93Å; G53-R55 PolarHBondContact O-N 3.07Å; G53-R56 PolarHBondContact O-N 3.44Å; G53-K57 PolarHBondContact O-N 3.41Å; G53-K57 VanDerWaalsContact O-N 3.07Å |
| 54 | Q | 97.6 | Very high | 96.9 | Very high | 70 Ų | 70 | 81.5 Ų | 81.5 | 33% | 0.327 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | -177.2 | -59.2 | -55.4 | -33.3 | 0 | 0 | 112.8 | W50 R56 K57 M58 L74 | W50-Q54 HydrophobicContact CD2-CG 4.12Å; W50-Q54 HydrophobicContact CH2-CG 4.38Å; W50-Q54 HydrophobicContact CZ2-CG 3.79Å; W50-Q54 PolarHBondContact O-N 3.1Å; Q54-R56 VanDerWaalsContact C-N 3.31Å; Q54-R56 PolarHBondContact O-N 3.49Å; Q54-K57 PolarHBondContact O-N 3.35Å; Q54-M58 WeakPolarHBondContact O-CG 2.86Å; Q54-M58 PolarHBondContact O-N 3.5Å; Q54-L74 HydrophobicContact CB-CD1 4.44Å; Q54-L74 HydrophobicContact CB-CD2 3.41Å; Q54-L74 VanDerWaalsContact CB-CD2 3.41Å; Q54-L74 HydrophobicContact CG-CD2 4.45Å |
| 55 | R | 97.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 80 Ų | 80 | 24% | 0.242 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.9 | -178.7 | -174.4 | -73.2 | 126.9 | 5.8 | 111.7 | S51 G53 A59 N67 I70 L74 | S51-R55 WeakPolarHBondContact O-CA 3.43Å; S51-R55 WeakPolarHBondContact O-CB 3.37Å; S51-R55 PolarHBondContact O-N 3.4Å; G53-R55 PolarHBondContact O-N 3.07Å; R55-A59 VanDerWaalsContact O-CB 3.26Å; R55-A59 WeakPolarHBondContact O-CB 3.48Å; R55-A59 PolarHBondContact O-N 3.36Å; R55-N67 WeakPolarHBondContact CD-ND2 3.44Å; R55-I70 HydrophobicContact CB-CG2 4.38Å; R55-I70 HydrophobicContact CG-CG2 4.01Å; R55-L74 HydrophobicContact CB-CD1 3.67Å; R55-L74 HydrophobicContact CG-CD1 4.46Å |
| 56 | R | 97.6 | Very high | 96.6 | Very high | 183 Ų | 183 | 82.4 Ų | 82.4 | 69% | 0.691 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 177.5 | -179.1 | 171.9 | 59.4 | -160.6 | -0.2 | 110.9 | R52 G53 Q54 A59 Q60 | R52-R56 PolarHBondContact O-N 3.25Å; G53-R56 PolarHBondContact O-N 3.44Å; Q54-R56 VanDerWaalsContact C-N 3.31Å; Q54-R56 PolarHBondContact O-N 3.49Å; R56-A59 PolarHBondContact O-N 3.09Å; R56-Q60 PolarHBondContact O-N 2.96Å |
| 57 | K | 97.3 | Very high | 96.5 | Very high | 119 Ų | 119 | 85.3 Ų | 85.3 | 52% | 0.517 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 175.6 | -178.8 | -179.5 | 171.5 | -177.2 | 0 | 111.5 | G53 Q54 A59 Q60 E61 | G53-K57 PolarHBondContact O-N 3.41Å; G53-K57 VanDerWaalsContact O-N 3.07Å; Q54-K57 PolarHBondContact O-N 3.35Å; K57-A59 VanDerWaalsContact C-N 3.32Å; K57-A59 PolarHBondContact O-N 2.99Å; K57-Q60 WeakPolarHBondContact O-CB 3.48Å; K57-Q60 PolarHBondContact O-N 3.19Å; K57-Q60 VanDerWaalsContact O-N 3.15Å; K57-E61 WeakPolarHBondContact CE-OE1 3.26Å; K57-E61 WeakPolarHBondContact CG-OE1 3.33Å; K57-E61 IonicContact NZ-OE1 3.77Å; K57-E61 WeakPolarHBondContact O-CG 3.29Å; K57-E61 PolarHBondContact O-N 3.11Å |
| 58 | M | 95.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 86 Ų | 86 | 14% | 0.143 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | -179.9 | -71 | -171.2 | 74.3 | 0 | 0 | 113.4 | Q54 Q60 E61 N62 M65 I70 R73 L74 | Q54-M58 WeakPolarHBondContact O-CG 2.86Å; Q54-M58 PolarHBondContact O-N 3.5Å; M58-Q60 VanDerWaalsContact C-N 3.35Å; M58-E61 PolarHBondContact O-N 3.27Å; M58-N62 WeakPolarHBondContact O-CB 3.42Å; M58-N62 PolarHBondContact O-N 3.39Å; M58-M65 HydrophobicContact CE-SD 4.44Å; M58-I70 HydrophobicContact CB-CG2 3.9Å; M58-I70 HydrophobicContact SD-CG2 3.98Å; M58-R73 HydrophobicContact CE-CB 3.92Å; M58-R73 HydrophobicContact CE-CG 4.47Å; M58-L74 HydrophobicContact CG-CD2 4.48Å; M58-L74 HydrophobicContact SD-CD2 3.48Å; M58-L74 WeakPolarHBondContact SD-CD2 3.43Å; M58-L74 HydrophobicContact SD-CG 3.81Å |
| 59 | A | 96.7 | Very high | 96.4 | Very high | 41 Ų | 41 | 85 Ų | 85 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R55 R56 K57 N62 P63 I70 | R55-A59 VanDerWaalsContact O-CB 3.26Å; R55-A59 WeakPolarHBondContact O-CB 3.48Å; R55-A59 PolarHBondContact O-N 3.36Å; R56-A59 PolarHBondContact O-N 3.09Å; K57-A59 VanDerWaalsContact C-N 3.32Å; K57-A59 PolarHBondContact O-N 2.99Å; A59-N62 CarbonylContact O-C 3.35Å; A59-P63 VanDerWaalsContact O-CA 3.29Å; A59-P63 WeakPolarHBondContact O-CA 3.44Å; A59-I70 HydrophobicContact CB-CD1 4.02Å |
| 60 | Q | 96.9 | Very high | 96.4 | Very high | 159 Ų | 159 | 83.8 Ų | 83.8 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.5 | -43.7 | 174.5 | -166.2 | 83.6 | 30.1 | 0 | 0 | 111.4 | R56 K57 M58 N62 | R56-Q60 PolarHBondContact O-N 2.96Å; K57-Q60 WeakPolarHBondContact O-CB 3.48Å; K57-Q60 PolarHBondContact O-N 3.19Å; K57-Q60 VanDerWaalsContact O-N 3.15Å; M58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-N62 VanDerWaalsContact C-N 3.35Å |
| 61 | E | 95.1 | Very high | 96.4 | Very high | 116 Ų | 116 | 84.7 Ų | 84.7 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.7 | -31.8 | 179.3 | -69.2 | 170.3 | 180 | 0 | 0 | 112.2 | K57 M58 | K57-E61 WeakPolarHBondContact CE-OE1 3.26Å; K57-E61 WeakPolarHBondContact CG-OE1 3.33Å; K57-E61 IonicContact NZ-OE1 3.77Å; K57-E61 WeakPolarHBondContact O-CG 3.29Å; K57-E61 PolarHBondContact O-N 3.11Å; M58-E61 PolarHBondContact O-N 3.27Å |
| 62 | N | 91.6 | Very high | 96.4 | Very high | 63 Ų | 63 | 91.1 Ų | 91.1 | 34% | 0.337 | 44% | 0.442 | S | S | . | . | trans | -130.7 | 71.8 | -177.1 | -60.8 | -95.4 | 0 | 0 | 0 | 110.7 | M58 A59 Q60 K64 M65 | M58-N62 WeakPolarHBondContact O-CB 3.42Å; M58-N62 PolarHBondContact O-N 3.39Å; A59-N62 CarbonylContact O-C 3.35Å; Q60-N62 VanDerWaalsContact C-N 3.35Å; N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact O-N 3.1Å; N62-M65 HydrophobicContact CB-CB 3.7Å; N62-M65 HydrophobicContact CB-CE 3.83Å; N62-M65 HydrophobicContact CB-SD 4.47Å; N62-M65 WeakPolarHBondContact O-CB 3.26Å; N62-M65 PolarHBondContact O-N 2.8Å | ||
| 63 | P | 93.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 88.9 Ų | 88.9 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.4 | -174.4 | 24.6 | -34.2 | 0 | 0 | 0 | 113.9 | A59 | A59-P63 VanDerWaalsContact O-CA 3.29Å; A59-P63 WeakPolarHBondContact O-CA 3.44Å |
| 64 | K | 95.4 | Very high | 96.5 | Very high | 209 Ų | 209 | 87.6 Ų | 87.6 | 91% | 0.909 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -11.5 | 174.7 | -63.9 | -177.4 | 179.6 | 178.4 | 0 | 113.4 | N62 | N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact O-N 3.1Å |
| 65 | M | 94.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 85.3 Ų | 85.3 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -78 | 127.2 | -177.9 | -171.5 | -177.9 | -64.1 | 0 | 0 | 110.5 | M58 N62 E69 I70 R73 | M58-M65 HydrophobicContact CE-SD 4.44Å; N62-M65 HydrophobicContact CB-CB 3.7Å; N62-M65 HydrophobicContact CB-CE 3.83Å; N62-M65 HydrophobicContact CB-SD 4.47Å; N62-M65 WeakPolarHBondContact O-CB 3.26Å; N62-M65 PolarHBondContact O-N 2.8Å; M65-E69 HydrophobicContact CG-CB 4.03Å; M65-E69 HydrophobicContact CG-CG 4.07Å; M65-E69 HydrophobicContact SD-CB 4.49Å; M65-E69 HydrophobicContact SD-CG 4.16Å; M65-I70 HydrophobicContact CB-CD1 4.5Å; M65-I70 HydrophobicContact CB-CG1 4.3Å; M65-I70 HydrophobicContact CG-CG1 3.82Å; M65-I70 HydrophobicContact SD-CG1 3.58Å; M65-I70 VanDerWaalsContact SD-CG1 3.58Å; M65-R73 VanDerWaalsContact CE-NH1 3.34Å |
| 66 | H | 96.8 | Very high | 96.5 | Very high | 139 Ų | 139 | 84.7 Ų | 84.7 | 64% | 0.644 | 42% | 0.423 | S | S | * | . | trans | -71.4 | 148.2 | 179.6 | -167 | 57.4 | 0 | 0 | 0 | 112 | S68 E69 I70 | H66-S68 PolarHBondContact CD2-OG 3.01Å; H66-S68 VanDerWaalsContact CD2-OG 3.26Å; H66-S68 PolarHBondContact O-N 2.93Å; H66-E69 WeakPolarHBondContact O-CB 3.27Å; H66-E69 PolarHBondContact O-N 2.97Å; H66-I70 PolarHBondContact O-N 2.92Å; H66-I70 VanDerWaalsContact O-N 3.15Å | ||
| 67 | N | 95.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 80.8 Ų | 80.8 | 43% | 0.428 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.1 | -30.7 | -174.7 | -169.3 | -88.4 | 0 | 0 | 0 | 113.8 | R55 E69 I70 S71 | R55-N67 WeakPolarHBondContact CD-ND2 3.44Å; N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.27Å; N67-I70 PolarHBondContact O-N 3.42Å; N67-S71 WeakPolarHBondContact O-CB 3.47Å; N67-S71 PolarHBondContact O-N 3.09Å; N67-S71 PolarHBondContact O-OG 2.86Å; N67-S71 PolarHBondContact OD1-OG 3.28Å |
| 68 | S | 97.2 | Very high | 96.6 | Very high | 62 Ų | 62 | 77.1 Ų | 77.1 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 111.4 | H66 K72 | H66-S68 PolarHBondContact CD2-OG 3.01Å; H66-S68 VanDerWaalsContact CD2-OG 3.26Å; H66-S68 PolarHBondContact O-N 2.93Å; S68-K72 WeakPolarHBondContact O-CG 2.98Å; S68-K72 PolarHBondContact O-N 3.42Å; S68-K72 VanDerWaalsContact O-N 3.09Å |
| 69 | E | 97.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 83.8 Ų | 83.8 | 29% | 0.285 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -74.1 | -43.2 | 178.6 | -172.6 | 55.7 | -151.8 | 0 | 0 | 111.4 | M65 H66 N67 S71 K72 R73 | M65-E69 HydrophobicContact CG-CB 4.03Å; M65-E69 HydrophobicContact CG-CG 4.07Å; M65-E69 HydrophobicContact SD-CB 4.49Å; M65-E69 HydrophobicContact SD-CG 4.16Å; H66-E69 WeakPolarHBondContact O-CB 3.27Å; H66-E69 PolarHBondContact O-N 2.97Å; N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.27Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 3.34Å; E69-K72 WeakPolarHBondContact O-CB 3.48Å; E69-K72 PolarHBondContact O-N 3.15Å; E69-K72 WeakPolarHBondContact OE2-CE 3.41Å; E69-K72 IonicContact OE2-NZ 3.41Å; E69-K72 PolarHBondContact OE2-NZ 3.42Å; E69-R73 PolarHBondContact O-N 3.32Å; E69-R73 VanDerWaalsContact O-N 3.08Å; E69-R73 IonicContact OE1-NE 3.95Å; E69-R73 PolarHBondContact OE1-NE 3.35Å; E69-R73 IonicContact OE1-NH2 3.99Å |
| 70 | I | 97.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 88.3 Ų | 88.3 | 2% | 0.015 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -55.8 | -45.9 | 172.2 | -61.6 | 173.3 | 0 | 0 | 0 | 110 | R55 M58 A59 M65 H66 N67 K72 R73 L74 | R55-I70 HydrophobicContact CB-CG2 4.38Å; R55-I70 HydrophobicContact CG-CG2 4.01Å; M58-I70 HydrophobicContact CB-CG2 3.9Å; M58-I70 HydrophobicContact SD-CG2 3.98Å; A59-I70 HydrophobicContact CB-CD1 4.02Å; M65-I70 HydrophobicContact CB-CD1 4.5Å; M65-I70 HydrophobicContact CB-CG1 4.3Å; M65-I70 HydrophobicContact CG-CG1 3.82Å; M65-I70 HydrophobicContact SD-CG1 3.58Å; M65-I70 VanDerWaalsContact SD-CG1 3.58Å; H66-I70 PolarHBondContact O-N 2.92Å; H66-I70 VanDerWaalsContact O-N 3.15Å; N67-I70 PolarHBondContact O-N 3.42Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.08Å; I70-R73 PolarHBondContact O-N 3.17Å; I70-L74 HydrophobicContact CG2-CD1 3.84Å; I70-L74 HydrophobicContact CG2-CG 4.19Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.27Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.42Å |
| 71 | S | 97.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 82.1 Ų | 82.1 | 26% | 0.259 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.6 | -34.9 | -179.2 | -63 | 0 | 0 | 0 | 0 | 112.8 | N67 E69 G75 | N67-S71 WeakPolarHBondContact O-CB 3.47Å; N67-S71 PolarHBondContact O-N 3.09Å; N67-S71 PolarHBondContact O-OG 2.86Å; N67-S71 PolarHBondContact OD1-OG 3.28Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 3.34Å; S71-G75 PolarHBondContact O-N 2.89Å |
| 72 | K | 98.3 | Very high | 96.9 | Very high | 134 Ų | 134 | 78.7 Ų | 78.7 | 58% | 0.583 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.2 | -49.5 | 172.5 | -74.7 | -179.4 | -130.7 | 156.4 | 0 | 111.4 | S68 E69 I70 G75 A76 | S68-K72 WeakPolarHBondContact O-CG 2.98Å; S68-K72 PolarHBondContact O-N 3.42Å; S68-K72 VanDerWaalsContact O-N 3.09Å; E69-K72 WeakPolarHBondContact O-CB 3.48Å; E69-K72 PolarHBondContact O-N 3.15Å; E69-K72 WeakPolarHBondContact OE2-CE 3.41Å; E69-K72 IonicContact OE2-NZ 3.41Å; E69-K72 PolarHBondContact OE2-NZ 3.42Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.08Å; K72-G75 PolarHBondContact O-N 2.63Å; K72-A76 PolarHBondContact O-N 2.8Å |
| 73 | R | 97.9 | Very high | 97.1 | Very high | 118 Ų | 118 | 81.1 Ų | 81.1 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | -180 | -66.5 | -178.4 | -174 | -159.1 | 2.8 | 111.8 | M58 M65 E69 I70 G75 A76 E77 | M58-R73 HydrophobicContact CE-CB 3.92Å; M58-R73 HydrophobicContact CE-CG 4.47Å; M65-R73 VanDerWaalsContact CE-NH1 3.34Å; E69-R73 PolarHBondContact O-N 3.32Å; E69-R73 VanDerWaalsContact O-N 3.08Å; E69-R73 IonicContact OE1-NE 3.95Å; E69-R73 PolarHBondContact OE1-NE 3.35Å; E69-R73 IonicContact OE1-NH2 3.99Å; I70-R73 PolarHBondContact O-N 3.17Å; R73-G75 VanDerWaalsContact C-N 3.25Å; R73-G75 PolarHBondContact O-N 2.75Å; R73-A76 WeakPolarHBondContact O-CB 3.41Å; R73-A76 PolarHBondContact O-N 3.26Å; R73-E77 WeakPolarHBondContact O-CG 3.24Å; R73-E77 PolarHBondContact O-N 2.83Å |
| 74 | L | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.016 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 175.3 | -68.6 | 179.2 | 0 | 0 | 0 | 112.9 | W50 Q54 R55 M58 I70 A76 W78 | W50-L74 HydrophobicContact CH2-CB 4.24Å; W50-L74 HydrophobicContact CH2-CD2 3.96Å; W50-L74 VanDerWaalsContact CH2-O 3.26Å; W50-L74 WeakPolarHBondContact CH2-O 3.19Å; W50-L74 HydrophobicContact CZ3-CB 3.99Å; W50-L74 HydrophobicContact CZ3-CD2 4.27Å; W50-L74 VanDerWaalsContact CZ3-O 3.23Å; W50-L74 WeakPolarHBondContact CZ3-O 3.49Å; Q54-L74 HydrophobicContact CB-CD1 4.44Å; Q54-L74 HydrophobicContact CB-CD2 3.41Å; Q54-L74 VanDerWaalsContact CB-CD2 3.41Å; Q54-L74 HydrophobicContact CG-CD2 4.45Å; R55-L74 HydrophobicContact CB-CD1 3.67Å; R55-L74 HydrophobicContact CG-CD1 4.46Å; M58-L74 HydrophobicContact CG-CD2 4.48Å; M58-L74 HydrophobicContact SD-CD2 3.48Å; M58-L74 WeakPolarHBondContact SD-CD2 3.43Å; M58-L74 HydrophobicContact SD-CG 3.81Å; I70-L74 HydrophobicContact CG2-CD1 3.84Å; I70-L74 HydrophobicContact CG2-CG 4.19Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.27Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.42Å; L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 3.11Å; L74-W78 WeakPolarHBondContact O-CB 3.33Å; L74-W78 PolarHBondContact O-N 3.21Å |
| 75 | G | 98.2 | Very high | 97.4 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 24% | 0.237 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -34.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S71 K72 R73 K79 | S71-G75 PolarHBondContact O-N 2.89Å; K72-G75 PolarHBondContact O-N 2.63Å; R73-G75 VanDerWaalsContact C-N 3.25Å; R73-G75 PolarHBondContact O-N 2.75Å; G75-K79 WeakPolarHBondContact O-CG 3.48Å |
| 76 | A | 98.2 | Very high | 97.6 | Very high | 50 Ų | 50 | 74.2 Ų | 74.2 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.9 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K72 R73 L74 W78 K79 L80 | K72-A76 PolarHBondContact O-N 2.8Å; R73-A76 WeakPolarHBondContact O-CB 3.41Å; R73-A76 PolarHBondContact O-N 3.26Å; L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 3.11Å; A76-W78 VanDerWaalsContact C-N 3.32Å; A76-W78 PolarHBondContact O-N 3Å; A76-K79 WeakPolarHBondContact O-CB 3.43Å; A76-K79 PolarHBondContact O-N 2.81Å; A76-L80 PolarHBondContact O-N 2.71Å |
| 77 | E | 97.9 | Very high | 97.7 | Very high | 101 Ų | 101 | 75.1 Ų | 75.1 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -54.9 | -46.5 | 176.9 | -67.8 | -56.2 | 135.8 | 0 | 0 | 111.6 | W50 R73 K79 L80 L81 | W50-E77 HydrophobicContact CH2-CB 3.85Å; W50-E77 HydrophobicContact CZ2-CB 4.24Å; R73-E77 WeakPolarHBondContact O-CG 3.24Å; R73-E77 PolarHBondContact O-N 2.83Å; E77-K79 PolarHBondContact O-N 3.45Å; E77-K79 VanDerWaalsContact O-N 3.16Å; E77-L80 WeakPolarHBondContact O-CA 3.29Å; E77-L80 WeakPolarHBondContact O-CB 3.47Å; E77-L80 PolarHBondContact O-N 2.99Å; E77-L81 WeakPolarHBondContact O-CD1 3.04Å; E77-L81 PolarHBondContact O-N 3.48Å |
| 78 | W | 98.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 75 Ų | 75 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.8 | -34.9 | 177.1 | 179.4 | -104.7 | 0 | 0 | 0 | 113.3 | A46 F47 W50 L74 A76 L80 L81 K86 F89 | A46-W78 HydrophobicContact CB-CH2 4.14Å; A46-W78 HydrophobicContact CB-CZ2 4.11Å; F47-W78 HydrophobicContact CB-CD2 4.46Å; F47-W78 HydrophobicContact CD2-CB 3.77Å; F47-W78 AromaticContact CD2-CD1 3.92Å; F47-W78 AromaticContact CD2-CD2 3.96Å; F47-W78 HydrophobicContact CD2-CD2 3.96Å; F47-W78 AromaticContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CE2-CB 3.94Å; F47-W78 HydrophobicContact CE2-CG 4.25Å; W50-W78 HydrophobicContact CB-CE3 4.04Å; W50-W78 HydrophobicContact CB-CH2 4.4Å; W50-W78 HydrophobicContact CB-CZ3 3.57Å; W50-W78 AromaticContact CD2-CE3 3.44Å; W50-W78 HydrophobicContact CD2-CE3 3.44Å; W50-W78 VanDerWaalsContact CD2-CE3 3.44Å; W50-W78 AromaticContact CD2-CZ3 3.86Å; W50-W78 HydrophobicContact CD2-CZ3 3.86Å; W50-W78 AromaticContact CE2-CE3 3.99Å; W50-W78 HydrophobicContact CE3-CB 4.17Å; W50-W78 HydrophobicContact CE3-CD2 4.2Å; W50-W78 AromaticContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CZ3 4.27Å; W50-W78 AromaticContact CG-CE3 3.68Å; W50-W78 HydrophobicContact CG-CE3 3.68Å; W50-W78 AromaticContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CH2-CB 4.01Å; W50-W78 HydrophobicContact CZ3-CB 3.69Å; W50-W78 HydrophobicContact CZ3-CE3 4.18Å; W50-W78 HydrophobicContact CZ3-CG 4.47Å; L74-W78 WeakPolarHBondContact O-CB 3.33Å; L74-W78 PolarHBondContact O-N 3.21Å; A76-W78 VanDerWaalsContact C-N 3.32Å; A76-W78 PolarHBondContact O-N 3Å; W78-L80 VanDerWaalsContact C-N 3.32Å; W78-L81 HydrophobicContact CE3-CD2 4.19Å; W78-L81 HydrophobicContact CZ3-CD2 4.33Å; W78-K86 HydrophobicContact CE3-CG 4.43Å; W78-K86 HydrophobicContact CH2-CB 3.97Å; W78-K86 HydrophobicContact CH2-CD 4.45Å; W78-K86 HydrophobicContact CH2-CG 3.68Å; W78-K86 HydrophobicContact CZ2-CB 4.32Å; W78-K86 HydrophobicContact CZ2-CD 4.15Å; W78-K86 HydrophobicContact CZ2-CG 3.87Å; W78-K86 HydrophobicContact CZ3-CG 3.96Å; W78-K86 WeakPolarHBondContact O-CE 3.29Å; W78-K86 PolarHBondContact O-NZ 3.04Å; W78-F89 HydrophobicContact CH2-CB 4.23Å; W78-F89 HydrophobicContact CZ3-CB 4.48Å; W78-F89 HydrophobicContact CZ3-CD2 4.26Å |
| 79 | K | 97.9 | Very high | 97.8 | Very high | 169 Ų | 169 | 75 Ų | 75 | 74% | 0.735 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.3 | -33.6 | 177.5 | -71.1 | 174.8 | -179.7 | -176.5 | 0 | 111.6 | G75 A76 E77 | G75-K79 WeakPolarHBondContact O-CG 3.48Å; A76-K79 WeakPolarHBondContact O-CB 3.43Å; A76-K79 PolarHBondContact O-N 2.81Å; E77-K79 PolarHBondContact O-N 3.45Å; E77-K79 VanDerWaalsContact O-N 3.16Å |
| 80 | L | 97.8 | Very high | 97.9 | Very high | 136 Ų | 136 | 74.1 Ų | 74.1 | 71% | 0.712 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -76.3 | -25.9 | 179.5 | -63.7 | 175 | 0 | 0 | 0 | 113.3 | A76 E77 W78 S82 | A76-L80 PolarHBondContact O-N 2.71Å; E77-L80 WeakPolarHBondContact O-CA 3.29Å; E77-L80 WeakPolarHBondContact O-CB 3.47Å; E77-L80 PolarHBondContact O-N 2.99Å; W78-L80 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.41Å |
| 81 | L | 97.1 | Very high | 97.9 | Very high | 29 Ų | 29 | 78 Ų | 78 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -56.7 | 136.7 | 174.9 | -92.8 | 71.7 | 0 | 0 | 0 | 111.3 | W50 E77 W78 E85 K86 | W50-L81 HydrophobicContact CZ2-CD1 4.09Å; W50-L81 HydrophobicContact CZ2-CD2 4.36Å; E77-L81 WeakPolarHBondContact O-CD1 3.04Å; E77-L81 PolarHBondContact O-N 3.48Å; W78-L81 HydrophobicContact CE3-CD2 4.19Å; W78-L81 HydrophobicContact CZ3-CD2 4.33Å; L81-E85 HydrophobicContact CB-CB 4.39Å; L81-E85 HydrophobicContact CD2-CB 4.17Å; L81-E85 HydrophobicContact CG-CB 4.23Å; L81-K86 HydrophobicContact CB-CG 4.08Å; L81-K86 WeakPolarHBondContact O-CE 3.41Å; L81-K86 PolarHBondContact O-NZ 3.26Å |
| 82 | S | 98 | Very high | 97.9 | Very high | 45 Ų | 45 | 79.4 Ų | 79.4 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | trans | -67.4 | 159.1 | 172.6 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | L80 S84 E85 K86 | L80-S82 PolarHBondContact O-N 3.41Å; S82-S84 PolarHBondContact O-N 3.04Å; S82-S84 PolarHBondContact OG-OG 2.95Å; S82-E85 WeakPolarHBondContact CB-OE2 2.81Å; S82-E85 PolarHBondContact N-OE2 2.93Å; S82-E85 PolarHBondContact O-N 3.25Å; S82-E85 VanDerWaalsContact O-N 3.11Å; S82-E85 VanDerWaalsContact OG-CD 3.28Å; S82-E85 VanDerWaalsContact OG-CG 3.24Å; S82-E85 WeakPolarHBondContact OG-CG 3.47Å; S82-E85 PolarHBondContact OG-N 3.16Å; S82-E85 PolarHBondContact OG-OE2 3.01Å; S82-K86 WeakPolarHBondContact O-CG 3.49Å; S82-K86 PolarHBondContact O-N 3.49Å | ||
| 83 | E | 96.8 | Very high | 97.9 | Very high | 113 Ų | 113 | 73.6 Ų | 73.6 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 177.5 | -167.2 | 59.8 | -150.7 | 0 | 0 | 111.7 | E85 K86 R87 I90 | E83-E85 VanDerWaalsContact C-N 3.32Å; E83-E85 PolarHBondContact O-N 3Å; E83-K86 PolarHBondContact O-N 2.94Å; E83-R87 WeakPolarHBondContact O-CG 3.13Å; E83-R87 PolarHBondContact O-N 3.34Å; E83-I90 WeakPolarHBondContact OE1-CD1 3.43Å |
| 84 | S | 97.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 74 Ų | 74 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.5 | -40 | 173.6 | 33 | 0 | 0 | 0 | 0 | 112.9 | S82 | S82-S84 PolarHBondContact O-N 3.04Å; S82-S84 PolarHBondContact OG-OG 2.95Å |
| 85 | E | 97.4 | Very high | 98 | Very high | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.9 | -28.7 | 177.5 | -67.8 | 165.8 | 117.7 | 0 | 0 | 111.9 | L81 S82 E83 P88 F89 | L81-E85 HydrophobicContact CB-CB 4.39Å; L81-E85 HydrophobicContact CD2-CB 4.17Å; L81-E85 HydrophobicContact CG-CB 4.23Å; S82-E85 WeakPolarHBondContact CB-OE2 2.81Å; S82-E85 PolarHBondContact N-OE2 2.93Å; S82-E85 PolarHBondContact O-N 3.25Å; S82-E85 VanDerWaalsContact O-N 3.11Å; S82-E85 VanDerWaalsContact OG-CD 3.28Å; S82-E85 VanDerWaalsContact OG-CG 3.24Å; S82-E85 WeakPolarHBondContact OG-CG 3.47Å; S82-E85 PolarHBondContact OG-N 3.16Å; S82-E85 PolarHBondContact OG-OE2 3.01Å; E83-E85 VanDerWaalsContact C-N 3.32Å; E83-E85 PolarHBondContact O-N 3Å; E85-P88 WeakPolarHBondContact O-CD 3.23Å; E85-P88 WeakPolarHBondContact O-CG 3.35Å; E85-F89 VanDerWaalsContact O-CD2 3.29Å; E85-F89 WeakPolarHBondContact O-CD2 3.41Å; E85-F89 VanDerWaalsContact O-CE2 3.29Å; E85-F89 WeakPolarHBondContact O-CE2 3.42Å |
| 86 | K | 98.1 | Very high | 98 | Very high | 29 Ų | 29 | 80.2 Ų | 80.2 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -75.8 | -32.2 | 176.8 | -69.7 | 168.3 | 171.9 | 151.7 | 0 | 112.8 | W78 L81 S82 E83 F89 I90 | W78-K86 HydrophobicContact CE3-CG 4.43Å; W78-K86 HydrophobicContact CH2-CB 3.97Å; W78-K86 HydrophobicContact CH2-CD 4.45Å; W78-K86 HydrophobicContact CH2-CG 3.68Å; W78-K86 HydrophobicContact CZ2-CB 4.32Å; W78-K86 HydrophobicContact CZ2-CD 4.15Å; W78-K86 HydrophobicContact CZ2-CG 3.87Å; W78-K86 HydrophobicContact CZ3-CG 3.96Å; W78-K86 WeakPolarHBondContact O-CE 3.29Å; W78-K86 PolarHBondContact O-NZ 3.04Å; L81-K86 HydrophobicContact CB-CG 4.08Å; L81-K86 WeakPolarHBondContact O-CE 3.41Å; L81-K86 PolarHBondContact O-NZ 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.49Å; S82-K86 PolarHBondContact O-N 3.49Å; E83-K86 PolarHBondContact O-N 2.94Å; K86-F89 PolarHBondContact O-N 2.82Å; K86-I90 HydrophobicContact CB-CD1 3.83Å; K86-I90 HydrophobicContact CB-CG1 4.4Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 2.74Å |
| 87 | R | 98.1 | Very high | 97.9 | Very high | 157 Ų | 157 | 85.8 Ų | 85.8 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -43.8 | -53.8 | -177.7 | -87.9 | -178.7 | -179.4 | 175.4 | 0 | 115 | E83 F89 I90 D91 | E83-R87 WeakPolarHBondContact O-CG 3.13Å; E83-R87 PolarHBondContact O-N 3.34Å; R87-F89 PolarHBondContact O-N 3Å; R87-I90 WeakPolarHBondContact O-CB 3.4Å; R87-I90 PolarHBondContact O-N 2.8Å; R87-I90 VanDerWaalsContact O-N 3.1Å; R87-D91 PolarHBondContact O-N 3.49Å |
| 88 | P | 98.2 | Very high | 97.9 | Very high | 77 Ų | 77 | 84 Ų | 84 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59 | -36.1 | -179.2 | 21.6 | -33.9 | 0 | 0 | 0 | 112.9 | E85 E92 | E85-P88 WeakPolarHBondContact O-CD 3.23Å; E85-P88 WeakPolarHBondContact O-CG 3.35Å; P88-E92 WeakPolarHBondContact O-CB 3.46Å; P88-E92 PolarHBondContact O-N 3.26Å |
| 89 | F | 98.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 85 Ų | 85 | 28% | 0.281 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77.9 | -30.6 | 178.7 | -52.7 | -72 | 0 | 0 | 0 | 112.8 | V49 W50 W78 E85 K86 R87 A93 | V49-F89 HydrophobicContact CG1-CD1 4.2Å; W50-F89 HydrophobicContact CB-CB 4.21Å; W50-F89 HydrophobicContact CB-CD1 3.8Å; W50-F89 HydrophobicContact CB-CD2 4.15Å; W50-F89 HydrophobicContact CB-CE1 4.23Å; W50-F89 HydrophobicContact CB-CG 3.77Å; W50-F89 AromaticContact CD1-CD2 3.86Å; W50-F89 AromaticContact CD1-CE2 3.53Å; W50-F89 AromaticContact CD1-CZ 3.62Å; W50-F89 HydrophobicContact CG-CD2 4.34Å; W50-F89 HydrophobicContact CG-CE2 4.39Å; W50-F89 HydrophobicContact CG-CG 4.41Å; W78-F89 HydrophobicContact CH2-CB 4.23Å; W78-F89 HydrophobicContact CZ3-CB 4.48Å; W78-F89 HydrophobicContact CZ3-CD2 4.26Å; E85-F89 VanDerWaalsContact O-CD2 3.29Å; E85-F89 WeakPolarHBondContact O-CD2 3.41Å; E85-F89 VanDerWaalsContact O-CE2 3.29Å; E85-F89 WeakPolarHBondContact O-CE2 3.42Å; K86-F89 PolarHBondContact O-N 2.82Å; R87-F89 PolarHBondContact O-N 3Å; F89-A93 VanDerWaalsContact O-CB 3.29Å; F89-A93 WeakPolarHBondContact O-CB 3.36Å; F89-A93 PolarHBondContact O-N 3.48Å |
| 90 | I | 97.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 77.8 Ų | 77.8 | 21% | 0.21 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.9 | -47.1 | 172.6 | -69.4 | 168.6 | 0 | 0 | 0 | 109.8 | A46 E83 K86 R87 A93 K94 | A46-I90 HydrophobicContact CB-CB 4.48Å; A46-I90 HydrophobicContact CB-CG1 3.85Å; E83-I90 WeakPolarHBondContact OE1-CD1 3.43Å; K86-I90 HydrophobicContact CB-CD1 3.83Å; K86-I90 HydrophobicContact CB-CG1 4.4Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 2.74Å; R87-I90 WeakPolarHBondContact O-CB 3.4Å; R87-I90 PolarHBondContact O-N 2.8Å; R87-I90 VanDerWaalsContact O-N 3.1Å; I90-A93 PolarHBondContact O-N 3.05Å; I90-K94 HydrophobicContact CG2-CD 4.45Å; I90-K94 WeakPolarHBondContact O-CG 3.39Å; I90-K94 PolarHBondContact O-N 3.2Å |
| 91 | D | 98.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 75.2 Ų | 75.2 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | -179.1 | -66.6 | -24 | 0 | 0 | 0 | 111.6 | R87 A93 K94 R95 | R87-D91 PolarHBondContact O-N 3.49Å; D91-A93 PolarHBondContact O-N 3.18Å; D91-K94 WeakPolarHBondContact O-CB 3.36Å; D91-K94 PolarHBondContact O-N 3.31Å; D91-K94 IonicContact OD1-NZ 2.91Å; D91-K94 PolarHBondContact OD1-NZ 3.18Å; D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 PolarHBondContact O-N 2.91Å |
| 92 | E | 98.2 | Very high | 97.8 | Very high | 67 Ų | 67 | 82.2 Ų | 82.2 | 31% | 0.313 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 172.2 | -179.1 | 56.5 | -163.2 | 0 | 0 | 112.2 | V49 P88 K94 R95 L96 | V49-E92 HydrophobicContact CG1-CB 4.33Å; V49-E92 HydrophobicContact CG1-CG 3.88Å; P88-E92 WeakPolarHBondContact O-CB 3.46Å; P88-E92 PolarHBondContact O-N 3.26Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 2.87Å; E92-R95 WeakPolarHBondContact O-CB 3.18Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 IonicContact OE1-CZ 3.72Å; E92-R95 IonicContact OE1-NE 2.8Å; E92-R95 PolarHBondContact OE1-NE 3.29Å; E92-R95 IonicContact OE1-NH2 2.75Å; E92-R95 PolarHBondContact OE1-NH2 2.94Å; E92-R95 IonicContact OE2-CZ 2.71Å; E92-R95 IonicContact OE2-NE 3.4Å; E92-R95 PolarHBondContact OE2-NE 3.24Å; E92-R95 IonicContact OE2-NH2 3.26Å; E92-L96 HydrophobicContact CG-CD1 4.37Å; E92-L96 WeakPolarHBondContact O-CG 3.37Å; E92-L96 PolarHBondContact O-N 3.1Å |
| 93 | A | 98.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 85.7 Ų | 85.7 | 10% | 0.099 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A46 V49 F89 I90 D91 R97 | A46-A93 HydrophobicContact CB-CB 4.12Å; A46-A93 VanDerWaalsContact N-CB 3.29Å; V49-A93 HydrophobicContact CG2-CB 4.32Å; F89-A93 VanDerWaalsContact O-CB 3.29Å; F89-A93 WeakPolarHBondContact O-CB 3.36Å; F89-A93 PolarHBondContact O-N 3.48Å; I90-A93 PolarHBondContact O-N 3.05Å; D91-A93 PolarHBondContact O-N 3.18Å; A93-R97 WeakPolarHBondContact O-CB 3.18Å; A93-R97 PolarHBondContact O-N 2.94Å |
| 94 | K | 98.6 | Very high | 97.6 | Very high | 126 Ų | 126 | 83.5 Ų | 83.5 | 55% | 0.548 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 172.1 | -70.3 | 172 | -167.3 | 155.6 | 0 | 110.8 | I90 D91 E92 R97 A98 | I90-K94 HydrophobicContact CG2-CD 4.45Å; I90-K94 WeakPolarHBondContact O-CG 3.39Å; I90-K94 PolarHBondContact O-N 3.2Å; D91-K94 WeakPolarHBondContact O-CB 3.36Å; D91-K94 PolarHBondContact O-N 3.31Å; D91-K94 IonicContact OD1-NZ 2.91Å; D91-K94 PolarHBondContact OD1-NZ 3.18Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 2.87Å; K94-R97 WeakPolarHBondContact O-CB 3.48Å; K94-R97 PolarHBondContact O-N 2.73Å; K94-A98 PolarHBondContact O-N 3.45Å |
| 95 | R | 98.4 | Very high | 97.4 | Very high | 123 Ų | 123 | 84.6 Ų | 84.6 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 177 | -167.7 | -163.9 | 70.1 | 78 | 1.4 | 111.2 | D91 E92 R97 A98 L99 | D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 PolarHBondContact O-N 2.91Å; E92-R95 WeakPolarHBondContact O-CB 3.18Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 IonicContact OE1-CZ 3.72Å; E92-R95 IonicContact OE1-NE 2.8Å; E92-R95 PolarHBondContact OE1-NE 3.29Å; E92-R95 IonicContact OE1-NH2 2.75Å; E92-R95 PolarHBondContact OE1-NH2 2.94Å; E92-R95 IonicContact OE2-CZ 2.71Å; E92-R95 IonicContact OE2-NE 3.4Å; E92-R95 PolarHBondContact OE2-NE 3.24Å; E92-R95 IonicContact OE2-NH2 3.26Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 2.89Å; R95-A98 PolarHBondContact O-N 2.99Å; R95-L99 WeakPolarHBondContact O-CB 3.35Å; R95-L99 PolarHBondContact O-N 3.3Å |
| 96 | L | 98.2 | Very high | 97.2 | Very high | 34 Ų | 34 | 87.1 Ų | 87.1 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.2 | -71.8 | 173.1 | 0 | 0 | 0 | 112.2 | M44 V49 E92 H100 | M44-L96 HydrophobicContact CB-CD1 4.33Å; M44-L96 HydrophobicContact CE-CD1 4.05Å; V49-L96 HydrophobicContact CG2-CD1 3.76Å; E92-L96 HydrophobicContact CG-CD1 4.37Å; E92-L96 WeakPolarHBondContact O-CG 3.37Å; E92-L96 PolarHBondContact O-N 3.1Å; L96-H100 VanDerWaalsContact O-CB 3.22Å; L96-H100 WeakPolarHBondContact O-CB 3.41Å; L96-H100 PolarHBondContact O-N 2.82Å |
| 97 | R | 97.4 | Very high | 97.1 | Very high | 168 Ų | 168 | 88.3 Ų | 88.3 | 63% | 0.634 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 175 | -175.3 | -178.6 | -179.7 | -168.4 | -0.8 | 111.4 | P43 A93 K94 R95 H100 M101 | P43-R97 HydrophobicContact CG-CB 4.48Å; A93-R97 WeakPolarHBondContact O-CB 3.18Å; A93-R97 PolarHBondContact O-N 2.94Å; K94-R97 WeakPolarHBondContact O-CB 3.48Å; K94-R97 PolarHBondContact O-N 2.73Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 2.89Å; R97-H100 PolarHBondContact O-N 3.22Å; R97-M101 VanDerWaalsContact O-CG 3.25Å; R97-M101 WeakPolarHBondContact O-CG 3.43Å; R97-M101 PolarHBondContact O-N 2.87Å |
| 98 | A | 97.7 | Very high | 96.9 | Very high | 63 Ų | 63 | 88.8 Ų | 88.8 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K94 R95 H100 M101 K102 | K94-A98 PolarHBondContact O-N 3.45Å; R95-A98 PolarHBondContact O-N 2.99Å; A98-H100 VanDerWaalsContact C-N 3.31Å; A98-H100 PolarHBondContact O-N 2.91Å; A98-M101 PolarHBondContact O-N 3.29Å; A98-K102 PolarHBondContact O-N 3.12Å |
| 99 | L | 97.4 | Very high | 96.7 | Very high | 62 Ų | 62 | 90.7 Ų | 90.7 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 175.1 | -176.5 | 64 | 0 | 0 | 0 | 111.1 | R95 M101 K102 E103 | R95-L99 WeakPolarHBondContact O-CB 3.35Å; R95-L99 PolarHBondContact O-N 3.3Å; L99-M101 VanDerWaalsContact C-N 3.34Å; L99-M101 PolarHBondContact O-N 3.16Å; L99-K102 WeakPolarHBondContact O-CB 3.22Å; L99-K102 PolarHBondContact O-N 3.03Å; L99-K102 VanDerWaalsContact O-N 3.12Å; L99-E103 HydrophobicContact CD1-CG 4.19Å; L99-E103 WeakPolarHBondContact CD1-OE1 3.47Å; L99-E103 HydrophobicContact CG-CG 4.35Å; L99-E103 WeakPolarHBondContact O-CG 3.44Å; L99-E103 PolarHBondContact O-N 3.39Å |
| 100 | H | 97.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 97.7 Ų | 97.7 | 8% | 0.083 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 178.8 | -169.4 | 79.5 | 0 | 0 | 0 | 113.3 | V40 K41 P43 L96 R97 A98 K102 H104 Y107 | V40-H100 WeakPolarHBondContact CG1-CE1 3.29Å; K41-H100 PolarHBondContact O-CE1 3.23Å; K41-H100 PolarHBondContact O-NE2 2.87Å; P43-H100 HydrophobicContact CB-CB 4.04Å; P43-H100 HydrophobicContact CG-CB 4.2Å; L96-H100 VanDerWaalsContact O-CB 3.22Å; L96-H100 WeakPolarHBondContact O-CB 3.41Å; L96-H100 PolarHBondContact O-N 2.82Å; R97-H100 PolarHBondContact O-N 3.22Å; A98-H100 VanDerWaalsContact C-N 3.31Å; A98-H100 PolarHBondContact O-N 2.91Å; H100-K102 VanDerWaalsContact C-N 3.32Å; H100-H104 AromaticContact CE1-CD2 3.5Å; H100-H104 PolarHBondContact CE1-CD2 2.89Å; H100-H104 VanDerWaalsContact CE1-CD2 3.5Å; H100-H104 AromaticContact ND1-CD2 3.57Å; H100-H104 WeakPolarHBondContact O-CB 3.25Å; H100-H104 PolarHBondContact O-N 3.43Å; H100-Y107 AromaticContact CD2-CD1 3.91Å; H100-Y107 AromaticContact NE2-CD1 3.65Å; H100-Y107 AromaticContact NE2-CD2 3.51Å; H100-Y107 AromaticContact NE2-CE1 3.78Å; H100-Y107 AromaticContact NE2-CE2 3.64Å; H100-Y107 AromaticContact NE2-CG 3.48Å; H100-Y107 AromaticContact NE2-CZ 3.75Å |
| 101 | M | 96.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 99.5 Ų | 99.5 | 40% | 0.404 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.5 | -32.6 | 175.2 | -63.7 | -72.4 | 86.2 | 0 | 0 | 112.2 | R97 A98 L99 H104 P105 Y107 | R97-M101 VanDerWaalsContact O-CG 3.25Å; R97-M101 WeakPolarHBondContact O-CG 3.43Å; R97-M101 PolarHBondContact O-N 2.87Å; A98-M101 PolarHBondContact O-N 3.29Å; L99-M101 VanDerWaalsContact C-N 3.34Å; L99-M101 PolarHBondContact O-N 3.16Å; M101-H104 CarbonylContact O-C 3.49Å; M101-P105 WeakPolarHBondContact O-CA 3.49Å; M101-Y107 HydrophobicContact CE-CD1 3.59Å; M101-Y107 HydrophobicContact CE-CG 4.2Å |
| 102 | K | 96.8 | Very high | 95.8 | Very high | 177 Ų | 177 | 105.1 Ų | 105.1 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.2 | -44.5 | 175.4 | -176.6 | -176.3 | 175.5 | -175.4 | 0 | 112 | A98 L99 H100 | A98-K102 PolarHBondContact O-N 3.12Å; L99-K102 WeakPolarHBondContact O-CB 3.22Å; L99-K102 PolarHBondContact O-N 3.03Å; L99-K102 VanDerWaalsContact O-N 3.12Å; H100-K102 VanDerWaalsContact C-N 3.32Å |
| 103 | E | 96.1 | Very high | 95.3 | Very high | 118 Ų | 118 | 113.2 Ų | 113.2 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.5 | -28.9 | -179.4 | -70.4 | 178.1 | 170 | 0 | 0 | 112.5 | L99 | L99-E103 HydrophobicContact CD1-CG 4.19Å; L99-E103 WeakPolarHBondContact CD1-OE1 3.47Å; L99-E103 HydrophobicContact CG-CG 4.35Å; L99-E103 WeakPolarHBondContact O-CG 3.44Å; L99-E103 PolarHBondContact O-N 3.39Å |
| 104 | H | 93.9 | Very high | 94.7 | Very high | 67 Ų | 67 | 120.8 Ų | 120.8 | 31% | 0.31 | 54% | 0.543 | S | S | . | . | trans | -130.2 | 76 | 179.9 | -54 | -68 | 0 | 0 | 0 | 110.7 | V40 H100 M101 D106 Y107 | V40-H104 HydrophobicContact CG1-CB 4.42Å; H100-H104 AromaticContact CE1-CD2 3.5Å; H100-H104 PolarHBondContact CE1-CD2 2.89Å; H100-H104 VanDerWaalsContact CE1-CD2 3.5Å; H100-H104 AromaticContact ND1-CD2 3.57Å; H100-H104 WeakPolarHBondContact O-CB 3.25Å; H100-H104 PolarHBondContact O-N 3.43Å; M101-H104 CarbonylContact O-C 3.49Å; H104-D106 VanDerWaalsContact C-N 3.26Å; H104-D106 PolarHBondContact O-N 3.32Å; H104-Y107 WeakPolarHBondContact O-CB 3.22Å; H104-Y107 PolarHBondContact O-N 2.94Å | ||
| 105 | P | 93.9 | Very high | 94.1 | Very high | 103 Ų | 103 | 121.1 Ų | 121.1 | 67% | 0.669 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -32.7 | -179.4 | 24.4 | -33.8 | 0 | 0 | 0 | 112.8 | M101 Y107 | M101-P105 WeakPolarHBondContact O-CA 3.49Å; P105-Y107 VanDerWaalsContact C-N 3.26Å; P105-Y107 PolarHBondContact O-N 3.25Å |
| 106 | D | 93.4 | Very high | 93.2 | Very high | 158 Ų | 158 | 124.5 Ų | 124.5 | 85% | 0.845 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 6.8 | 177.2 | -60.9 | -41.6 | 0 | 0 | 0 | 113.6 | H104 K108 | H104-D106 VanDerWaalsContact C-N 3.26Å; H104-D106 PolarHBondContact O-N 3.32Å; D106-K108 PolarHBondContact O-N 3.26Å; D106-K108 VanDerWaalsContact O-N 3.09Å |
| 107 | Y | 95.3 | Very high | 92 | Very high | 54 Ų | 54 | 128.2 Ų | 128.2 | 21% | 0.212 | 60% | 0.598 | C | S | . | * | trans | -64 | 116.4 | -179 | 180 | -100.3 | 0 | 0 | 0 | 111.4 | V40 R42 H100 M101 H104 P105 | V40-Y107 HydrophobicContact CB-CD2 3.86Å; V40-Y107 HydrophobicContact CB-CE2 4.02Å; V40-Y107 HydrophobicContact CG1-CD2 3.49Å; V40-Y107 VanDerWaalsContact CG1-CD2 3.49Å; V40-Y107 HydrophobicContact CG1-CE2 3.73Å; V40-Y107 HydrophobicContact CG1-CG 4.49Å; R42-Y107 WeakPolarHBondContact CG-OH 3.4Å; H100-Y107 AromaticContact CD2-CD1 3.91Å; H100-Y107 AromaticContact NE2-CD1 3.65Å; H100-Y107 AromaticContact NE2-CD2 3.51Å; H100-Y107 AromaticContact NE2-CE1 3.78Å; H100-Y107 AromaticContact NE2-CE2 3.64Å; H100-Y107 AromaticContact NE2-CG 3.48Å; H100-Y107 AromaticContact NE2-CZ 3.75Å; M101-Y107 HydrophobicContact CE-CD1 3.59Å; M101-Y107 HydrophobicContact CE-CG 4.2Å; H104-Y107 WeakPolarHBondContact O-CB 3.22Å; H104-Y107 PolarHBondContact O-N 2.94Å; P105-Y107 VanDerWaalsContact C-N 3.26Å; P105-Y107 PolarHBondContact O-N 3.25Å | ||
| 108 | K | 93.5 | Very high | 90.6 | Very high | 166 Ų | 166 | 128.2 Ų | 128.2 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | trans | -122.8 | 126.9 | 174.9 | -170.1 | 168 | -175 | 168.8 | 0 | 111.5 | D106 R110 | D106-K108 PolarHBondContact O-N 3.26Å; D106-K108 VanDerWaalsContact O-N 3.09Å; K108-R110 HydrophobicContact CG-CG 4.3Å; K108-R110 PolarHBondContact O-N 2.88Å | ||
| 109 | Y | 95 | Very high | 89 | Confident | 117 Ų | 117 | 132.5 Ų | 132.5 | 46% | 0.459 | 62% | 0.621 | S | S | . | * | trans | -71 | 114.3 | 173.5 | 177.3 | -134.1 | 0 | 0 | 0 | 111.1 | R42 P111 | R42-Y109 VanDerWaalsContact NH1-CE2 3.32Å; R42-Y109 PolarHBondContact NH1-OH 3.48Å; R42-Y109 VanDerWaalsContact NH1-OH 3.14Å; R42-Y109 PolarHBondContact NH2-OH 3.37Å; Y109-P111 HydrophobicContact CD1-CG 4.31Å; Y109-P111 HydrophobicContact CE1-CB 4.37Å; Y109-P111 HydrophobicContact CE1-CG 3.66Å; Y109-P111 HydrophobicContact CE2-CB 4.08Å; Y109-P111 HydrophobicContact CE2-CG 4.02Å; Y109-P111 WeakPolarHBondContact OH-CB 3.4Å | ||
| 110 | R | 92.3 | Very high | 87 | Confident | 211 Ų | 211 | 138.6 Ų | 138.6 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | trans | -121.8 | 86.9 | 178 | -59.7 | -179.9 | 84.2 | -153 | 7.5 | 110.2 | K108 R112 | K108-R110 HydrophobicContact CG-CG 4.3Å; K108-R110 PolarHBondContact O-N 2.88Å; R110-R112 PolarHBondContact O-N 3.44Å | ||
| 111 | P | 92.2 | Very high | 85.1 | Confident | 80 Ų | 80 | 147 Ų | 147 | 52% | 0.519 | 68% | 0.682 | S | S | . | * | trans | -58 | 130.4 | 175.1 | 4.7 | -8.1 | 0 | 0 | 0 | 110.9 | Y109 R113 | Y109-P111 HydrophobicContact CD1-CG 4.31Å; Y109-P111 HydrophobicContact CE1-CB 4.37Å; Y109-P111 HydrophobicContact CE1-CG 3.66Å; Y109-P111 HydrophobicContact CE2-CB 4.08Å; Y109-P111 HydrophobicContact CE2-CG 4.02Å; Y109-P111 WeakPolarHBondContact OH-CB 3.4Å; P111-R113 PolarHBondContact O-N 3.01Å | ||
| 112 | R | 90.7 | Very high | 83.1 | Confident | 202 Ų | 202 | 149.3 Ų | 149.3 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | trans | -78 | 111.5 | 177.3 | -171.8 | 174.6 | -172.6 | -85.9 | 5 | 109.5 | R110 | R110-R112 PolarHBondContact O-N 3.44Š| ||
| 113 | R | 88.3 | Confident | 80.8 | Confident | 236 Ų | 236 | 149.9 Ų | 149.9 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | trans | -67.4 | 134.3 | 169.3 | -65.4 | 179.1 | 70.1 | 175.5 | 0.9 | 109 | P111 | P111-R113 PolarHBondContact O-N 3.01Š| ||
| 114 | K | 86.2 | Confident | 78.5 | Confident | 171 Ų | 171 | 154.2 Ų | 154.2 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | -102.8 | 130.5 | 165.5 | -64.5 | -174.7 | 179.6 | -176 | 0 | 107 | K116 | K114-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact O-N 3.09Å | ||
| 115 | T | 84.5 | Confident | 76.2 | Confident | 134 Ų | 134 | 157.7 Ų | 157.7 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -64.5 | 109.9 | 171.1 | -50.7 | 0 | 0 | 0 | 0 | 107.4 | T117 | T115-T117 PolarHBondContact O-N 2.95Š| ||
| 116 | K | 79.3 | Confident | 74 | Confident | 194 Ų | 194 | 159.2 Ų | 159.2 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -80 | 102.6 | 167.5 | -63.7 | -175.3 | 75.9 | -177.9 | 0 | 105.5 | K114 L118 | K114-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact O-N 3.09Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.5Å | ||
| 117 | T | 74.6 | Confident | 71.8 | Confident | 111 Ų | 111 | 158 Ų | 158 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | -64.6 | 96.6 | 167 | 13 | 0 | 0 | 0 | 0 | 107.2 | T115 M119 | T115-T117 PolarHBondContact O-N 2.95Å; T117-M119 PolarHBondContact O-N 3.42Å | ||
| 118 | L | 67.8 | Low | 69.1 | Low | 168 Ų | 168 | 158.7 Ų | 158.7 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | -71.6 | 70.3 | 168.8 | -170.8 | 77.6 | 0 | 0 | 0 | 107.5 | K116 K120 | K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.5Å; L118-K120 PolarHBondContact O-N 2.9Å | ||
| 119 | M | 63.6 | Low | 67.1 | Low | 154 Ų | 154 | 154.4 Ų | 154.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -71.2 | 116.6 | 168 | 49.7 | -172.9 | 67.1 | 0 | 0 | 107.7 | T117 K121 | T117-M119 PolarHBondContact O-N 3.42Å; M119-K121 PolarHBondContact O-N 2.97Å | ||
| 120 | K | 56 | Low | 64.6 | Low | 189 Ų | 189 | 156.2 Ų | 156.2 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -36.8 | 104.4 | 174.4 | -77.2 | 155.1 | 169.4 | 172.4 | 0 | 111.1 | L118 D122 | L118-K120 PolarHBondContact O-N 2.9Å; K120-D122 PolarHBondContact O-N 3.14Å | ||
| 121 | K | 58.3 | Low | 62.1 | Low | 196 Ų | 196 | 153.9 Ų | 153.9 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 61 | 158.9 | -164.8 | 176.1 | -179.3 | 178.6 | 0 | 108.2 | M119 | M119-K121 PolarHBondContact O-N 2.97Š| ||
| 122 | D | 53.5 | Low | 59.7 | Low | 129 Ų | 129 | 154.6 Ų | 154.6 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | -108.7 | 74.2 | 163.1 | -63.5 | -43.7 | 0 | 0 | 0 | 107.2 | K120 | K120-D122 PolarHBondContact O-N 3.14Š| ||
| 123 | K | 47.6 | Very low | 57.8 | Low | 190 Ų | 190 | 151.3 Ų | 151.3 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -138.2 | 97 | 150.5 | -70.2 | -157.5 | -175.4 | -162.4 | 0 | 106.8 | T125 | K123-T125 PolarHBondContact O-N 3.05Š| ||
| 124 | Y | 49.6 | Very low | 55.3 | Low | 209 Ų | 209 | 144.1 Ų | 144.1 | 82% | 0.82 | 80% | 0.801 | S | S | * | * | trans | -17.6 | 119.5 | 161.6 | -70.2 | -99.3 | 0 | 0 | 0 | 113.7 | L126 | Y124-L126 HydrophobicContact CD1-CD1 4.46Š| ||
| 125 | T | 45.8 | Very low | 52.9 | Low | 139 Ų | 139 | 139.9 Ų | 139.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -131.1 | 85.1 | 149.6 | -48.9 | 0 | 0 | 0 | 0 | 105.9 | K123 | K123-T125 PolarHBondContact O-N 3.05Š| ||
| 126 | L | 47.7 | Very low | 50.9 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 71% | 0.712 | 81% | 0.812 | S | S | * | * | trans | -59.8 | 144 | 162.9 | -77.5 | 160.6 | 0 | 0 | 0 | 108.7 | Y124 G128 | Y124-L126 HydrophobicContact CD1-CD1 4.46Å; L126-G128 PolarHBondContact O-N 2.87Å | ||
| 127 | P | 46.4 | Very low | 48.9 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -79.6 | 107.8 | 173.7 | 32 | -27.8 | 0 | 0 | 0 | 108.2 | ||
| 128 | G | 39.4 | Very low | 47.1 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | -172.4 | 105.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L126 | L126-G128 PolarHBondContact O-N 2.87Š| ||
| 129 | G | 49.8 | Very low | 45.6 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -60.5 | 151.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 130 | L | 42.3 | Very low | 44.4 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | 163.1 | 112 | 146.1 | -84.6 | 172.2 | 0 | 0 | 0 | 107.1 | ||||
| 131 | L | 39.7 | Very low | 43.4 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | 57.3 | 125.9 | 142.8 | -46.5 | 160.6 | 0 | 0 | 0 | 116.7 | ||||
| 132 | A | 42.5 | Very low | 42.4 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | cis | -175.2 | 172.3 | 44.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 133 | P | 51 | Low | 41.6 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | trans | -100.6 | 159.1 | -158.7 | 38.4 | -31.8 | 0 | 0 | 0 | 114.5 | ||||
| 134 | G | 35.6 | Very low | 41 | Very low | 84 Ų | 84 | 123.3 Ų | 123.3 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | 137.6 | 130.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 135 | G | 36.6 | Very low | 40.3 | Very low | 82 Ų | 82 | 116.9 Ų | 116.9 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 132.3 | 82.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 136 | N | 42.5 | Very low | 39.7 | Very low | 177 Ų | 177 | 117.4 Ų | 117.4 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -64.8 | 159.3 | 161.8 | -84.4 | 4.6 | 0 | 0 | 0 | 112.2 | ||||
| 137 | G | 36 | Very low | 39 | Very low | 70 Ų | 70 | 114.6 Ų | 114.6 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | 126.5 | 97.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 138 | M | 37.3 | Very low | 38.5 | Very low | 202 Ų | 202 | 113.8 Ų | 113.8 | 100% | 0.995 | 84% | 0.838 | S | S | * | * | 61.3 | 118.4 | 83.6 | -158.8 | 96.9 | 95.7 | 0 | 0 | 112.7 | |||||
| 139 | G | 36.8 | Very low | 38.3 | Very low | 70 Ų | 70 | 114.1 Ų | 114.1 | 72% | 0.722 | 84% | 0.842 | S | S | * | * | trans | 160.9 | 91.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 140 | T | 37.8 | Very low | 37.5 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 94% | 0.939 | 85% | 0.852 | S | S | * | * | trans | -36.5 | 141.7 | 153.2 | 34 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 141 | G | 35.9 | Very low | 37 | Very low | 78 Ų | 78 | 115.9 Ų | 115.9 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | trans | -161.9 | 97.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 142 | V | 36.8 | Very low | 36.7 | Very low | 148 Ų | 148 | 112.5 Ų | 112.5 | 90% | 0.897 | 86% | 0.856 | S | S | * | * | trans | -67.9 | 134.1 | 169.4 | -153.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 143 | G | 36.1 | Very low | 36.4 | Very low | 75 Ų | 75 | 111.2 Ų | 111.2 | 77% | 0.773 | 85% | 0.852 | S | S | * | * | trans | -152.7 | 89.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 144 | V | 35.1 | Very low | 36 | Very low | 144 Ų | 144 | 111.2 Ų | 111.2 | 87% | 0.873 | 85% | 0.849 | S | S | * | * | trans | -66.9 | 130.5 | 163.7 | 172.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 145 | G | 34.5 | Very low | 36.1 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 76% | 0.763 | 85% | 0.85 | S | S | * | * | trans | -153.8 | 91.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 146 | V | 33.4 | Very low | 36.2 | Very low | 150 Ų | 150 | 118.9 Ų | 118.9 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | trans | -59.8 | 140.6 | 162.2 | -85.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 147 | G | 32.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -177.9 | 78 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 148 | A | 36.4 | Very low | 37.1 | Very low | 113 Ų | 113 | 126 Ų | 126 | 93% | 0.934 | 85% | 0.848 | S | S | * | * | trans | -71.3 | 131.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 149 | G | 34.7 | Very low | 37.3 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -159.7 | 108.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 150 | L | 33.1 | Very low | 37.8 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 98% | 0.984 | 85% | 0.847 | S | S | * | * | trans | -59.8 | 148.7 | 172.4 | -71.3 | 134.1 | 0 | 0 | 0 | 111.6 | ||||
| 151 | G | 33.2 | Very low | 38 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | 176.9 | 87.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 152 | G | 33.1 | Very low | 38.6 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 93% | 0.928 | 84% | 0.843 | S | S | * | * | trans | -68.7 | 140.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 153 | G | 34.8 | Very low | 39.1 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | trans | -157.6 | 95.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N155 | G153-N155 PolarHBondContact O-N 3.31Š| ||
| 154 | V | 44.1 | Very low | 39.9 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | trans | -39.9 | 126.4 | 161.3 | -94.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 155 | N | 38.1 | Very low | 40.2 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -149.7 | 107.7 | 149 | -86.4 | -56.8 | 0 | 0 | 0 | 109.6 | G153 | G153-N155 PolarHBondContact O-N 3.31Š| ||
| 156 | Q | 37 | Very low | 40.8 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 83% | 0.831 | S | S | * | * | trans | -79 | 133.1 | 172.1 | -63.7 | -165.5 | 54.4 | 0 | 0 | 109.7 | ||||
| 157 | R | 47.5 | Very low | 41 | Very low | 219 Ų | 219 | 131 Ų | 131 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 47.4 | 104.1 | 134.2 | -62.5 | 179.5 | 175.6 | -171.3 | -0.3 | 118 | ||||
| 158 | M | 50.4 | Low | 41.3 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -159 | 65.2 | 142.2 | -155.4 | 68.8 | 172.7 | 0 | 0 | 112.5 | ||||
| 159 | D | 42.7 | Very low | 41.5 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -143.6 | 31.8 | 172.6 | -72.4 | -59.1 | 0 | 0 | 0 | 113.6 | Y161 | D159-Y161 PolarHBondContact O-N 3.4Š| ||
| 160 | S | 46.1 | Very low | 41.9 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -89.6 | 26.7 | -179.6 | -58.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 161 | Y | 42.4 | Very low | 42.1 | Very low | 210 Ų | 210 | 139.3 Ų | 139.3 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -137.8 | 6.5 | -177.4 | -133.5 | -95.2 | 0 | 0 | 0 | 118 | D159 | D159-Y161 PolarHBondContact O-N 3.4Š|
| 162 | A | 48.5 | Very low | 42.2 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -113.9 | 23.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 163 | A | 47.2 | Very low | 42.5 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | -122.3 | 43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 164 | H | 53.9 | Low | 43.3 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 61% | 0.606 | 81% | 0.812 | S | S | * | * | trans | -112.4 | 104 | 158.5 | 85.4 | -85.7 | 0 | 0 | 0 | 107.5 | ||||
| 165 | M | 40.3 | Very low | 43.6 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 73% | 0.729 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 170 | 121.4 | 134.2 | -85.5 | -49.8 | 174.7 | 0 | 0 | 108.1 | ||
| 166 | N | 46.9 | Very low | 44.1 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | S | Bend | trans | 89.2 | 75.4 | 165.5 | -49.2 | -47.6 | 0 | 0 | 0 | 118.4 | ||
| 167 | G | 38.8 | Very low | 44.1 | Very low | 65 Ų | 65 | 150.8 Ų | 150.8 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | 89.8 | 104 | 124.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 168 | W | 37.9 | Very low | 43.6 | Very low | 258 Ų | 258 | 147.4 Ų | 147.4 | 98% | 0.977 | 82% | 0.822 | S | S | * | * | 167.5 | 94.8 | 118.5 | -86.6 | 37.4 | 0 | 0 | 0 | 105.9 | |||||
| 169 | T | 41.4 | Very low | 42.9 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -78.1 | 127.8 | 170.7 | 60.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 170 | N | 43.3 | Very low | 42.6 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -134.2 | 104.6 | 165.4 | -141 | -80.9 | 0 | 0 | 0 | 108.6 | ||||
| 171 | G | 36.4 | Very low | 41.9 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 68.6 | 65.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 172 | G | 35.7 | Very low | 41.7 | Very low | 82 Ų | 82 | 145 Ų | 145 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -85.4 | 95.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 173 | Y | 38.9 | Very low | 40.9 | Very low | 243 Ų | 243 | 148.1 Ų | 148.1 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | -92.3 | 95.5 | 153.7 | -81.6 | -80.9 | 0 | 0 | 0 | 107.2 | ||||
| 174 | G | 51.9 | Low | 40.3 | Very low | 58 Ų | 58 | 151.2 Ų | 151.2 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | trans | -165.6 | 86.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 175 | M | 51.2 | Low | 39.8 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | 170.4 | 83.2 | 158.4 | -81.6 | -28.3 | -160.9 | 0 | 0 | 107.9 | ||||
| 176 | M | 47.3 | Very low | 39.4 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -145.8 | 136.1 | 145.1 | -78 | -165.5 | -178 | 0 | 0 | 108.4 | ||||
| 177 | Q | 37.3 | Very low | 39.1 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 93.1 | 76 | 170.4 | -133.2 | 88.9 | 34.9 | 0 | 0 | 117.9 | ||||
| 178 | D | 37.2 | Very low | 38.9 | Very low | 148 Ų | 148 | 152 Ų | 152 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 164.4 | 140.8 | -156.8 | -70.2 | 0 | 0 | 0 | 109.6 | ||||
| 179 | Q | 35 | Very low | 38.9 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | trans | 90.4 | 76.5 | -170.9 | -59.1 | -81.1 | 5.5 | 0 | 0 | 115.3 | ||||
| 180 | L | 36.3 | Very low | 38.7 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | -174.5 | 118.1 | 110.7 | -95.2 | 147.9 | 0 | 0 | 0 | 111.5 | |||||
| 181 | S | 32 | Very low | 38.5 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | trans | -44.7 | 131.4 | 165 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 182 | Y | 38.7 | Very low | 39.3 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -140.5 | 105.8 | 144.1 | -97.9 | -77.8 | 0 | 0 | 0 | 110.8 | ||||
| 183 | Q | 32.1 | Very low | 39.1 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 130.1 | 165.7 | -171.3 | 94.5 | 61.1 | 0 | 0 | 108.6 | ||||
| 184 | H | 33 | Very low | 39.2 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -115.7 | 126.1 | 157.8 | -76.1 | -76.7 | 0 | 0 | 0 | 108.4 | ||||
| 185 | P | 44 | Very low | 38.4 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -126.6 | 153 | 143.8 | 27.9 | -10.3 | 0 | 0 | 0 | 111.2 | ||||
| 186 | G | 32.3 | Very low | 37.7 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -76.5 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 187 | L | 40.6 | Very low | 37.3 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | 41.7 | 102.8 | 148.1 | -54.3 | 173.7 | 0 | 0 | 0 | 117.1 | ||||
| 188 | N | 35.3 | Very low | 37.3 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | 179.8 | 156 | 105.8 | -132 | -0.6 | 0 | 0 | 0 | 111.2 | |||||
| 189 | A | 37.7 | Very low | 37.6 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 60% | 0.603 | 79% | 0.793 | S | S | * | * | trans | -55.6 | 157.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 190 | H | 37.5 | Very low | 37.8 | Very low | 181 Ų | 181 | 151 Ų | 151 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | 161.4 | 106.4 | 127.7 | -82.3 | 91.8 | 0 | 0 | 0 | 112.4 | |||||
| 191 | N | 37.9 | Very low | 37.8 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | 56.2 | 149.4 | 144.8 | -135.2 | 41.9 | 0 | 0 | 0 | 122.7 | ||||
| 192 | P | 53 | Low | 38.4 | Very low | 114 Ų | 114 | 156.2 Ų | 156.2 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -103.4 | 162.2 | -154.1 | 41.8 | -36.5 | 0 | 0 | 0 | 114.5 | ||||
| 193 | G | 33.1 | Very low | 38.9 | Very low | 69 Ų | 69 | 153.5 Ų | 153.5 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -177.1 | 115 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 194 | Q | 39.1 | Very low | 39.7 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | 76.8 | 109.1 | 151.9 | -62.4 | -80.3 | -3.2 | 0 | 0 | 118.7 | ||||
| 195 | M | 35.3 | Very low | 40.2 | Very low | 169 Ų | 169 | 146 Ų | 146 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 144.2 | 164.3 | -57.7 | -167.5 | 82.8 | 0 | 0 | 111.6 | ||||
| 196 | Q | 38.2 | Very low | 40.3 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -151.6 | 155.2 | 144 | -87.3 | -51.5 | -47.3 | 0 | 0 | 111.3 | ||||
| 197 | S | 38.9 | Very low | 40.7 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | -95 | 157.2 | -141.4 | -168.3 | 0 | 0 | 0 | 0 | 116.1 | H199 | S197-H199 PolarHBondContact O-N 3.04Š| ||
| 198 | M | 36.8 | Very low | 40.3 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | trans | -43.9 | 122.3 | 169.1 | -84.7 | -90 | -168.9 | 0 | 0 | 113.7 | R200 | M198-R200 PolarHBondContact O-N 3.32Š| ||
| 199 | H | 42.7 | Very low | 40.3 | Very low | 190 Ų | 190 | 156.2 Ų | 156.2 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -83 | 112.9 | 166.3 | -78.5 | -74.8 | 0 | 0 | 0 | 111.1 | S197 | S197-H199 PolarHBondContact O-N 3.04Š| ||
| 200 | R | 38.5 | Very low | 40 | Very low | 237 Ų | 237 | 157.4 Ų | 157.4 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -53.4 | 137 | 174.4 | -159.3 | -176.5 | -153.1 | 165.1 | 3 | 112.3 | M198 | M198-R200 PolarHBondContact O-N 3.32Š| ||
| 201 | Y | 37.6 | Very low | 39.9 | Very low | 225 Ų | 225 | 157.3 Ų | 157.3 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -58.2 | 135.9 | 167.8 | -80.1 | -96.5 | 0 | 0 | 0 | 111.6 | ||||
| 202 | D | 44.5 | Very low | 39.9 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -108.2 | 123.2 | 162.9 | -176.1 | 6.6 | 0 | 0 | 0 | 108.8 | S204 | D202-S204 PolarHBondContact OD1-OG 3.09Å; D202-S204 PolarHBondContact OD2-OG 3.22Å | ||
| 203 | M | 49.6 | Very low | 39.1 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -118.8 | 73.5 | -173.5 | -113.6 | -84.3 | 88.3 | 0 | 0 | 107.9 | ||||
| 204 | S | 48.2 | Very low | 39.6 | Very low | 91 Ų | 91 | 156.8 Ų | 156.8 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | trans | -140.8 | 44.5 | -175.1 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | D202 | D202-S204 PolarHBondContact OD1-OG 3.09Å; D202-S204 PolarHBondContact OD2-OG 3.22Å | ||
| 205 | A | 42.4 | Very low | 39.6 | Very low | 90 Ų | 90 | 155 Ų | 155 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -132 | 25.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 206 | L | 46.3 | Very low | 39.8 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -116.8 | 79.3 | 169.2 | -73.8 | 173 | 0 | 0 | 0 | 110.2 | ||||
| 207 | Q | 40.8 | Very low | 39.9 | Very low | 190 Ų | 190 | 152 Ų | 152 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -101.3 | 109 | 166.1 | -165.6 | 149.4 | 10.4 | 0 | 0 | 108.9 | ||||
| 208 | Y | 32.3 | Very low | 40 | Very low | 218 Ų | 218 | 155.7 Ų | 155.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -57.1 | 135.5 | 168.4 | -99.4 | -97.9 | 0 | 0 | 0 | 110.3 | ||||
| 209 | N | 35.1 | Very low | 40 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -117.9 | 107.7 | 154.8 | -118.6 | 24.9 | 0 | 0 | 0 | 109 | ||||
| 210 | S | 32.7 | Very low | 39.6 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 130.3 | 161.9 | 174.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 211 | M | 34.8 | Very low | 39.8 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -173.3 | 121.9 | 140.3 | -99.2 | 158.2 | -155.8 | 0 | 0 | 111.7 | ||||
| 212 | T | 39.3 | Very low | 40.5 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -46.1 | 137.6 | 158.1 | 177.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 213 | S | 34.8 | Very low | 40.2 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | 164.7 | 140.4 | 119.9 | 51 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 214 | S | 44.5 | Very low | 39.4 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -47.6 | 140.2 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 215 | Q | 38.2 | Very low | 38.8 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | -161.9 | 139 | 123.6 | -86.4 | -50.1 | -0.1 | 0 | 0 | 111.6 | |||||
| 216 | S | 40.8 | Very low | 38.8 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -105.6 | 110.1 | -174.2 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 217 | Y | 39.4 | Very low | 38.3 | Very low | 197 Ų | 197 | 142.7 Ų | 142.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -152.6 | 116.8 | 163 | -65.6 | -77.3 | 0 | 0 | 0 | 113.5 | ||||
| 218 | M | 40.3 | Very low | 38 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | trans | 59 | 112.6 | 148.2 | -66.1 | -78.6 | 144.6 | 0 | 0 | 119.6 | ||||
| 219 | N | 38.2 | Very low | 38.4 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | 67.3 | 115.3 | 86.7 | -161.6 | -26.9 | 0 | 0 | 0 | 114.4 | |||||
| 220 | G | 34.2 | Very low | 38.4 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 164.6 | 83.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 221 | S | 41.1 | Very low | 38.6 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 135.9 | 164.6 | -69.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 222 | P | 53.8 | Low | 38.6 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -92.8 | 108.6 | 165.8 | 20.7 | -6.1 | 0 | 0 | 0 | 110.3 | ||||
| 223 | T | 36.8 | Very low | 38.4 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -89.4 | 116.3 | 156.5 | 64.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 224 | Y | 32.9 | Very low | 39.1 | Very low | 216 Ų | 216 | 139 Ų | 139 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -111.1 | 121.5 | 169.6 | -136.7 | -93.6 | 0 | 0 | 0 | 110.3 | ||||
| 225 | S | 37.3 | Very low | 38.5 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -62.2 | 145.3 | 171.9 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 226 | M | 41.1 | Very low | 38.6 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -117.3 | 125.6 | 158.9 | -89 | -65 | 174.5 | 0 | 0 | 110.7 | ||||
| 227 | S | 36.7 | Very low | 38.5 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 139.9 | -176.1 | 41.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 228 | Y | 33.2 | Very low | 38.3 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 137.6 | 172.2 | 114.1 | -83.8 | 0 | 0 | 0 | 110.9 | ||
| 229 | S | 41.6 | Very low | 38.1 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 135.1 | 171.6 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 230 | Q | 35.8 | Very low | 37.9 | Very low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 145.5 | -177.6 | -58.7 | -161.9 | 81.7 | 0 | 0 | 114.7 | ||
| 231 | Q | 36.2 | Very low | 38 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -155.7 | 159 | 142.3 | -141.5 | 155.7 | 15.3 | 0 | 0 | 111.2 | ||||
| 232 | S | 34 | Very low | 37.9 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -100.5 | 140.3 | -140.4 | 43 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 233 | T | 36 | Very low | 37 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 48.5 | 163 | 140.4 | 62.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 234 | P | 50.2 | Low | 38.2 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -137.7 | 168.4 | -39.3 | 37 | -19.3 | 0 | 0 | 0 | 114.5 | ||||
| 235 | G | 31.4 | Very low | 38.3 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 120.5 | 116 | 145.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 236 | M | 39.4 | Very low | 38.4 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | 163.7 | 118.3 | 130.7 | -78.2 | -92 | 99.3 | 0 | 0 | 108.2 | ||||
| 237 | T | 39 | Very low | 38.4 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -71.2 | 144.8 | 172.2 | 39.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 238 | A | 34.5 | Very low | 38.6 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | 160.3 | 142.4 | 120.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 239 | L | 37.8 | Very low | 38.6 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | 83.3 | 103.2 | 147.9 | -147.2 | 66.6 | 0 | 0 | 0 | 118.7 | ||||
| 240 | G | 32 | Very low | 38.5 | Very low | 63 Ų | 63 | 128.5 Ų | 128.5 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -82.6 | 161.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 241 | S | 37.2 | Very low | 38.2 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | 175.4 | 122.3 | 147.6 | -115.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 242 | M | 39.3 | Very low | 38.2 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 65.3 | 115.3 | 143.1 | -38.7 | -55.4 | 148.2 | 0 | 0 | 119.9 | ||||
| 243 | G | 35.7 | Very low | 38.2 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -87.2 | -150.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 244 | P | 61.9 | Low | 38.3 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | -128.4 | 163.1 | -55.1 | 37.5 | -24.9 | 0 | 0 | 0 | 111.4 | |||||
| 245 | S | 33.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 168.3 | 151.7 | 161.7 | -87.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 246 | S | 39.8 | Very low | 37.9 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | cis | -167.9 | 166.6 | 4.4 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 247 | V | 41.8 | Very low | 38.3 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -44.4 | 157.4 | -178.3 | -73.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 248 | V | 40 | Very low | 39.1 | Very low | 135 Ų | 135 | 124 Ų | 124 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -40.4 | 152.8 | 169.2 | -64.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 249 | K | 32.9 | Very low | 39.3 | Very low | 194 Ų | 194 | 125.6 Ų | 125.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -146.5 | 127.7 | 156.2 | -167.9 | 148.8 | 170.2 | 171.4 | 0 | 111.2 | ||||
| 250 | S | 39.9 | Very low | 39.4 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -105.8 | 147.2 | 174.6 | -45.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 251 | E | 30.4 | Very low | 39.5 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -161.5 | 134.5 | 151.9 | -110.9 | 169.4 | 150.4 | 0 | 0 | 111.2 | ||||
| 252 | S | 35.5 | Very low | 39.5 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -94 | 153.9 | 178.1 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 253 | S | 33.9 | Very low | 39.2 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 169.2 | 128.1 | 131 | -72.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 254 | S | 37 | Very low | 39.2 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -17.2 | 145.2 | 154.9 | 54.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 255 | S | 36.3 | Very low | 38.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -168.2 | 133.8 | 135.7 | 173.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 256 | S | 37.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -118.8 | 170.6 | 175.3 | -96.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 257 | P | 48.5 | Very low | 37.8 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -96.7 | 175.8 | -145.4 | 39.7 | -36.5 | 0 | 0 | 0 | 114.8 | ||||
| 258 | P | 56.1 | Low | 37.4 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -100.7 | 154.7 | 171 | 36 | -28.7 | 0 | 0 | 0 | 114.7 | ||||
| 259 | V | 37.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -125.7 | 164.2 | 178 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 260 | V | 40.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 125 Ų | 125 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | 96.9 | 130.3 | 165.6 | -166.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 261 | T | 34.6 | Very low | 37.7 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -158.6 | 161.8 | 52.3 | 112.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 262 | S | 36 | Very low | 38.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 149.6 | -177.5 | -44.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 263 | S | 32.9 | Very low | 38.9 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -165.1 | 115.1 | 138.4 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 264 | S | 35.5 | Very low | 39.9 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | 39.5 | 105.9 | 127.4 | -63.8 | 0 | 0 | 0 | 0 | 125 | |||||
| 265 | H | 38.9 | Very low | 41.1 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 32.3 | 120.2 | 127.8 | 40.7 | -103.6 | 0 | 0 | 0 | 123.4 | |||||
| 266 | R | 33.4 | Very low | 42.6 | Very low | 257 Ų | 257 | 122.6 Ų | 122.6 | 97% | 0.97 | 77% | 0.768 | S | S | * | * | -159.4 | 146.8 | 127.6 | -112.7 | 179.1 | -178.5 | -145.9 | 0.6 | 112.8 | |||||
| 267 | A | 33.3 | Very low | 43.8 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -56.9 | 167.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 268 | A | 33.8 | Very low | 44.6 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | cis | -166.6 | -169.4 | 45 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 269 | P | 46.5 | Very low | 45.5 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | -120.3 | 163.7 | -108.9 | 34.7 | -15.1 | 0 | 0 | 0 | 115.3 | |||||
| 270 | G | 35.8 | Very low | 46.6 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | 135.7 | 70 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 271 | C | 36.8 | Very low | 47.8 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | -178.1 | 81.3 | 147.5 | 30.5 | 0 | 0 | 0 | 0 | 109.1 | S273 | C271-S273 PolarHBondContact O-N 3.33Å; C271-S273 VanDerWaalsContact O-N 3.14Å | ||
| 272 | Q | 42.3 | Very low | 49.6 | Very low | 190 Ų | 190 | 124 Ų | 124 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | trans | -76 | 102 | 168.2 | -71.3 | -165.4 | 38.8 | 0 | 0 | 108.8 | ||||
| 273 | S | 48.3 | Very low | 50.8 | Low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -52.4 | 138.9 | 154 | 44.6 | 0 | 0 | 0 | 0 | 110.5 | C271 D275 | C271-S273 PolarHBondContact O-N 3.33Å; C271-S273 VanDerWaalsContact O-N 3.14Å; S273-D275 PolarHBondContact O-N 3.31Å | ||
| 274 | G | 56.4 | Low | 52.2 | Low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | -40 | 118.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | L276 | G274-L276 PolarHBondContact O-N 3.09Š| ||
| 275 | D | 62.3 | Low | 52.9 | Low | 96 Ų | 96 | 130.3 Ų | 130.3 | 51% | 0.513 | 73% | 0.729 | S | S | . | * | trans | -65.2 | 126.1 | 176.3 | -165.6 | -8.3 | 0 | 0 | 0 | 108.8 | S273 R277 D278 | S273-D275 PolarHBondContact O-N 3.31Å; D275-R277 PolarHBondContact O-N 2.91Å; D275-R277 PolarHBondContact OD1-N 3.03Å; D275-D278 PolarHBondContact O-N 3.39Å; D275-D278 VanDerWaalsContact O-N 3.11Å | ||
| 276 | L | 67.4 | Low | 53.4 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 61% | 0.613 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -55.5 | -21.4 | 177.2 | -107.9 | 112.8 | 0 | 0 | 0 | 111.8 | G274 M279 I280 | G274-L276 PolarHBondContact O-N 3.09Å; L276-M279 PolarHBondContact O-N 3.3Å; L276-I280 HydrophobicContact CD2-CD1 4.32Å; L276-I280 WeakPolarHBondContact O-CB 3.2Å; L276-I280 WeakPolarHBondContact O-CD1 3.15Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.41Å |
| 277 | R | 62.2 | Low | 53.5 | Low | 192 Ų | 192 | 118 Ų | 118 | 73% | 0.725 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -64.9 | -38.2 | 177.9 | -129.6 | 161.7 | -176.7 | -110.4 | -2.8 | 113.8 | D275 S281 | D275-R277 PolarHBondContact O-N 2.91Å; D275-R277 PolarHBondContact OD1-N 3.03Å; R277-S281 WeakPolarHBondContact O-CB 3.46Å; R277-S281 PolarHBondContact O-N 2.88Å; R277-S281 PolarHBondContact O-OG 3.39Å |
| 278 | D | 65.4 | Low | 54 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.4 | -34.5 | 174.4 | -101.7 | 4.3 | 0 | 0 | 0 | 111.3 | D275 S281 M282 | D275-D278 PolarHBondContact O-N 3.39Å; D275-D278 VanDerWaalsContact O-N 3.11Å; D278-S281 PolarHBondContact O-N 3.26Å; D278-M282 PolarHBondContact O-N 3.49Å |
| 279 | M | 74.6 | Confident | 54.3 | Low | 114 Ų | 114 | 123.9 Ų | 123.9 | 56% | 0.562 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 177.5 | -160.7 | -173.6 | -44.5 | 0 | 0 | 112.1 | L276 Y283 | L276-M279 PolarHBondContact O-N 3.3Å; M279-Y283 WeakPolarHBondContact O-CD2 3.25Å |
| 280 | I | 62 | Low | 53.8 | Low | 96 Ų | 96 | 122.9 Ų | 122.9 | 49% | 0.492 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -75.3 | -32.3 | 177.5 | -66.3 | 162.7 | 0 | 0 | 0 | 111.2 | L276 M282 Y283 | L276-I280 HydrophobicContact CD2-CD1 4.32Å; L276-I280 WeakPolarHBondContact O-CB 3.2Å; L276-I280 WeakPolarHBondContact O-CD1 3.15Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.41Å; I280-M282 VanDerWaalsContact C-N 3.3Å; I280-M282 PolarHBondContact O-N 3.36Å; I280-Y283 PolarHBondContact O-N 2.8Å |
| 281 | S | 64.5 | Low | 53.7 | Low | 81 Ų | 81 | 126.4 Ų | 126.4 | 57% | 0.566 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.9 | -19.7 | -177.9 | -59.9 | 0 | 0 | 0 | 0 | 114.2 | R277 D278 Y283 | R277-S281 WeakPolarHBondContact O-CB 3.46Å; R277-S281 PolarHBondContact O-N 2.88Å; R277-S281 PolarHBondContact O-OG 3.39Å; D278-S281 PolarHBondContact O-N 3.26Å; S281-Y283 VanDerWaalsContact C-N 3.31Å |
| 282 | M | 72.2 | Confident | 53.5 | Low | 156 Ų | 156 | 129.4 Ų | 129.4 | 77% | 0.768 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -14.2 | 172.7 | -67.7 | -144.9 | -54.6 | 0 | 0 | 114.2 | D278 I280 | D278-M282 PolarHBondContact O-N 3.49Å; I280-M282 VanDerWaalsContact C-N 3.3Å; I280-M282 PolarHBondContact O-N 3.36Å |
| 283 | Y | 62.1 | Low | 53.1 | Low | 185 Ų | 185 | 125.1 Ų | 125.1 | 73% | 0.725 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -111.7 | 1.6 | -173.2 | -74.1 | -83.5 | 0 | 0 | 0 | 114.6 | M279 I280 S281 | M279-Y283 WeakPolarHBondContact O-CD2 3.25Å; I280-Y283 PolarHBondContact O-N 2.8Å; S281-Y283 VanDerWaalsContact C-N 3.31Å |
| 284 | L | 62.5 | Low | 52.4 | Low | 136 Ų | 136 | 124.2 Ų | 124.2 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | trans | -110.2 | 109.1 | 171.9 | -100.8 | 70.1 | 0 | 0 | 0 | 110.4 | ||||
| 285 | P | 49.3 | Very low | 51.4 | Low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | -82 | 119.8 | 174.1 | 30.8 | -28 | 0 | 0 | 0 | 110.2 | ||||
| 286 | G | 49.7 | Very low | 50.1 | Low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 56.2 | 90.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 287 | A | 37 | Very low | 48.5 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | trans | -129.3 | 88 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | V289 | A287-V289 PolarHBondContact O-N 3.42Š| ||
| 288 | E | 43.3 | Very low | 47.5 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -47 | 122.9 | 162.8 | -47.5 | -66.9 | 144 | 0 | 0 | 109.3 | ||||
| 289 | V | 40.3 | Very low | 46.1 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -123.4 | 102.2 | 162.1 | -169.9 | 0 | 0 | 0 | 0 | 107.4 | A287 | A287-V289 PolarHBondContact O-N 3.42Š| ||
| 290 | S | 35.7 | Very low | 44.1 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -70.4 | 134.6 | 168.9 | -46.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 291 | D | 32.8 | Very low | 42.8 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -159.9 | 106 | 138.3 | -142.1 | -17.2 | 0 | 0 | 0 | 111.3 | ||||
| 292 | Q | 32.8 | Very low | 41.3 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | -171.7 | 109.3 | 123.9 | -102.1 | 173.7 | 41.3 | 0 | 0 | 111 | A294 | Q292-A294 PolarHBondContact O-N 3.47Š| |||
| 293 | S | 34.1 | Very low | 39.8 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -31.4 | 120.7 | 158.2 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 294 | A | 34.5 | Very low | 38.4 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | 86.5 | 133.1 | 81 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q292 | Q292-A294 PolarHBondContact O-N 3.47Š| |||
| 295 | Q | 35.3 | Very low | 37.1 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 89 | 98 | 158.3 | -51.8 | -172 | -11.7 | 0 | 0 | 118.1 | ||||
| 296 | S | 34.7 | Very low | 36.7 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 160.1 | 138.8 | 90.7 | -83.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 297 | R | 33.2 | Very low | 36 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | 77.9 | 97.7 | 147.3 | -87.4 | -177 | 163.7 | -131.3 | -0.9 | 120.9 | ||||
| 298 | L | 41.6 | Very low | 36.1 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | -32.2 | 131.5 | 123.3 | -75.2 | 150.2 | 0 | 0 | 0 | 112.7 | |||||
| 299 | H | 35.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 179.3 | 131.4 | 125.3 | -144.2 | -162.6 | 0 | 0 | 0 | 113.6 | |||||
| 300 | M | 32.9 | Very low | 36.2 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 66% | 0.655 | 78% | 0.776 | S | S | * | * | trans | 79.7 | 118.1 | 139.5 | -77.5 | -74.8 | 100.3 | 0 | 0 | 124.2 | ||||
| 301 | S | 34.3 | Very low | 36.2 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 53 | 132.6 | 122.4 | -73 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 302 | G | 33.2 | Very low | 36.4 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 153.6 | 94.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 303 | H | 41.4 | Very low | 37.1 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -50.6 | 144.9 | 156.7 | -76.2 | -83.9 | 0 | 0 | 0 | 112.1 | ||||
| 304 | Y | 31.3 | Very low | 37.4 | Very low | 216 Ų | 216 | 137.6 Ų | 137.6 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | 163 | 134.5 | 144.4 | -92.1 | -71.7 | 0 | 0 | 0 | 105.7 | ||||
| 305 | Q | 36.3 | Very low | 38 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | cis | -164 | 140.7 | 7.5 | -169.9 | 168.5 | 38.3 | 0 | 0 | 108.1 | ||||
| 306 | S | 40.9 | Very low | 38.5 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -83.8 | 141.8 | 161.5 | 168.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 307 | T | 33.7 | Very low | 39.3 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -160 | 107.9 | 145.7 | 46.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 308 | V | 40 | Very low | 40.5 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -65.9 | 168.9 | 143 | -88.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 309 | P | 51.6 | Low | 40.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | cis | -152.1 | 173.6 | 34 | 39.7 | -16.8 | 0 | 0 | 0 | 118.5 | ||||
| 310 | G | 33.4 | Very low | 42.1 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 126.9 | 128.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 311 | T | 37.3 | Very low | 42.9 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 77.8 | 102.2 | 142.5 | 32 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 312 | T | 36.9 | Very low | 43.3 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | 71.7 | 148.5 | 124.8 | 58.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 313 | I | 46.6 | Very low | 43.8 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 93.8 | 97.8 | 155.5 | 79 | 157.2 | 0 | 0 | 0 | 119.6 | ||||
| 314 | N | 41.1 | Very low | 44 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | 64.9 | 102.8 | 124.1 | -65 | -35.9 | 0 | 0 | 0 | 119.2 | |||||
| 315 | G | 46.5 | Very low | 44.7 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -60.9 | 137.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 316 | T | 46 | Very low | 45.2 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -161.4 | 114.6 | 159.2 | -69.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 317 | L | 50.9 | Low | 45.4 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -60.8 | -177 | 159.7 | -59.1 | 163.8 | 0 | 0 | 0 | 109.4 | ||||
| 318 | P | 58.8 | Low | 46.2 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | cis | -128.7 | 176.8 | -17.8 | 36 | -18.1 | 0 | 0 | 0 | 111.9 | ||||
| 319 | L | 46.1 | Very low | 46.7 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -150.6 | 111.1 | 151.4 | -149.2 | 68.3 | 0 | 0 | 0 | 112.6 | ||||
| 320 | T | 64.6 | Low | 46.3 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.693 | 80% | 0.798 | S | S | * | * | trans | -65.3 | 147.6 | 163.8 | 50.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 321 | H | 49.6 | Very low | 47.4 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | trans | -160.9 | 120 | 138.2 | -107.7 | -79.1 | 0 | 0 | 0 | 111.2 | ||||
| 322 | M | 44.2 | Very low | 48.3 | Very low | 245 Ų | 245 | 143.2 Ų | 143.2 | 100% | 1.207 | 81% | 0.812 | S | S | * | * | trans | 66.6 | 0 | 146.8 | -45.5 | -158.5 | 73.5 | 0 | 0 | 120.4 |
Retrieved 322 of 322 residues in 52.5 ms
(Link to these results)