| 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 | 35 | Very low | 31.6 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 100% | 1.172 | 83% | 0.831 | S | S | * | * | 0 | 112.6 | 0 | -80.9 | -171.3 | 144.5 | 0 | 0 | 108 | |||||
| 2 | S | 28.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 157.8 Ų | 157.8 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -87 | 120.2 | 170.1 | -54.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | V | 32.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 164 Ų | 164 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | trans | -117.3 | 132.2 | 163.6 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 4 | S | 28.8 | Very low | 31.5 | Very low | 94 Ų | 94 | 164.5 Ų | 164.5 | 66% | 0.657 | 84% | 0.841 | S | S | * | * | trans | -77.5 | 169 | -169.2 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 5 | S | 31.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 170.1 Ų | 170.1 | 72% | 0.72 | 85% | 0.847 | S | S | * | * | trans | 60.5 | 126.9 | 152 | 62.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 6 | E | 33.7 | Very low | 32.1 | Very low | 186 Ų | 186 | 166.3 Ų | 166.3 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | -168 | 149 | 51 | -146.8 | 167.4 | -167.3 | 0 | 0 | 108.9 | N8 | E6-N8 PolarHBondContact O-N 3.49Š| |||
| 7 | R | 30.4 | Very low | 32 | Very low | 235 Ų | 235 | 166.7 Ų | 166.7 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | trans | -66.1 | 128.5 | 176.1 | -66.7 | 172.2 | 177 | 175.3 | -1.3 | 109.8 | ||||
| 8 | N | 32.5 | Very low | 32.2 | Very low | 160 Ų | 160 | 171.2 Ų | 171.2 | 86% | 0.856 | 85% | 0.851 | S | S | * | * | -155.1 | 116.7 | 129.5 | -121.4 | -30.4 | 0 | 0 | 0 | 112.2 | E6 | E6-N8 PolarHBondContact O-N 3.49Š| |||
| 9 | P | 32.9 | Very low | 32.7 | Very low | 104 Ų | 104 | 168 Ų | 168 | 68% | 0.675 | 85% | 0.847 | S | S | * | * | trans | -92.5 | 114.8 | 175.1 | 33.8 | -25.3 | 0 | 0 | 0 | 109.1 | ||||
| 10 | K | 33.3 | Very low | 33.5 | Very low | 218 Ų | 218 | 170.1 Ų | 170.1 | 95% | 0.948 | 85% | 0.85 | S | S | * | * | trans | 159.9 | 82.9 | 152.3 | -90.5 | 161.8 | -173.3 | -178.1 | 0 | 108.6 | ||||
| 11 | G | 28.5 | Very low | 34 | Very low | 59 Ų | 59 | 169.3 Ų | 169.3 | 61% | 0.608 | 85% | 0.849 | S | S | * | * | trans | -165.7 | 111.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 12 | Y | 32.6 | Very low | 33.8 | Very low | 229 Ų | 229 | 165.3 Ų | 165.3 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -176.4 | 84 | 132.6 | -94.8 | -68.4 | 0 | 0 | 0 | 106.8 | Q14 | Y12-Q14 PolarHBondContact O-N 3.25Š| ||
| 13 | Y | 29.3 | Very low | 34 | Very low | 238 Ų | 238 | 168.1 Ų | 168.1 | 93% | 0.933 | 82% | 0.823 | S | S | * | * | trans | -71.3 | 114.9 | 157.5 | -87.2 | -88.1 | 0 | 0 | 0 | 108 | ||||
| 14 | Q | 30.7 | Very low | 34.1 | Very low | 171 Ų | 171 | 170.1 Ų | 170.1 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -149.5 | 99.4 | 158.7 | -162.8 | 174.3 | 1.8 | 0 | 0 | 110.6 | Y12 | Y12-Q14 PolarHBondContact O-N 3.25Š| ||
| 15 | R | 36.9 | Very low | 34.1 | Very low | 248 Ų | 248 | 174.1 Ų | 174.1 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -151.5 | 121.3 | 131.1 | -104.9 | 173.9 | -159.4 | -176.8 | 5.9 | 108.3 | ||
| 16 | S | 35.7 | Very low | 34.1 | Very low | 110 Ų | 110 | 176.5 Ų | 176.5 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -73.5 | 137.1 | -155 | 49 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 17 | L | 31.7 | Very low | 34 | Very low | 173 Ų | 173 | 176.6 Ų | 176.6 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -77.7 | 113.2 | 158.1 | -70.6 | 160.3 | 0 | 0 | 0 | 110.3 | ||||
| 18 | R | 34.5 | Very low | 34.1 | Very low | 248 Ų | 248 | 169.3 Ų | 169.3 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -151.1 | 122.6 | 149.6 | -77.8 | -166.3 | 174.5 | -166.7 | -1.8 | 105.5 | ||||
| 19 | S | 41.7 | Very low | 34 | Very low | 110 Ų | 110 | 172.7 Ų | 172.7 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | cis | -150 | 142.1 | 33.4 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | N21 | S19-N21 VanDerWaalsContact C-N 3.33Å; S19-N21 PolarHBondContact O-N 3.37Å; S19-N21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | K | 49 | Very low | 34 | Very low | 210 Ų | 210 | 172.1 Ų | 172.1 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 14.4 | -171.7 | -90.3 | -179.3 | 175.3 | 178.3 | 0 | 118.3 | ||
| 21 | N | 44.1 | Very low | 34.2 | Very low | 154 Ų | 154 | 169.6 Ų | 169.6 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 26.8 | -168.8 | -81.8 | -29 | 0 | 0 | 0 | 118.5 | S19 K23 | S19-N21 VanDerWaalsContact C-N 3.33Å; S19-N21 PolarHBondContact O-N 3.37Å; S19-N21 VanDerWaalsContact O-N 3.08Å; N21-K23 PolarHBondContact O-N 2.8Å |
| 22 | H | 30.2 | Very low | 34.4 | Very low | 153 Ų | 153 | 173.5 Ų | 173.5 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | trans | -96.5 | 82.6 | 171.5 | -136.5 | 0.5 | 0 | 0 | 0 | 113.1 | F24 | H22-F24 AromaticContact CD2-CD2 3.93Å; H22-F24 AromaticContact CD2-CE2 3.95Å; H22-F24 AromaticContact CE1-CD2 3.61Å; H22-F24 AromaticContact CE1-CE2 3.43Å; H22-F24 VanDerWaalsContact CE1-CE2 3.43Å; H22-F24 WeakPolarHBondContact CE1-CE2 3.39Å; H22-F24 AromaticContact ND1-CD2 3.86Å; H22-F24 AromaticContact NE2-CD2 3.65Å; H22-F24 AromaticContact NE2-CE2 3.27Å; H22-F24 VanDerWaalsContact NE2-CE2 3.27Å; H22-F24 WeakPolarHBondContact NE2-CE2 3.49Å; H22-F24 PolarHBondContact O-N 3.48Å | ||
| 23 | K | 33.2 | Very low | 34.7 | Very low | 190 Ų | 190 | 171.3 Ų | 171.3 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -75 | 90.8 | 160.9 | -75.3 | -179.9 | -179.8 | 175.5 | 0 | 108.4 | N21 K25 | N21-K23 PolarHBondContact O-N 2.8Å; K23-K25 PolarHBondContact O-N 2.57Å | ||
| 24 | F | 34.6 | Very low | 35.3 | Very low | 180 Ų | 180 | 164.8 Ų | 164.8 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | trans | -74.4 | 97.2 | 165.3 | -114.5 | -82.4 | 0 | 0 | 0 | 109 | H22 | H22-F24 AromaticContact CD2-CD2 3.93Å; H22-F24 AromaticContact CD2-CE2 3.95Å; H22-F24 AromaticContact CE1-CD2 3.61Å; H22-F24 AromaticContact CE1-CE2 3.43Å; H22-F24 VanDerWaalsContact CE1-CE2 3.43Å; H22-F24 WeakPolarHBondContact CE1-CE2 3.39Å; H22-F24 AromaticContact ND1-CD2 3.86Å; H22-F24 AromaticContact NE2-CD2 3.65Å; H22-F24 AromaticContact NE2-CE2 3.27Å; H22-F24 VanDerWaalsContact NE2-CE2 3.27Å; H22-F24 WeakPolarHBondContact NE2-CE2 3.49Å; H22-F24 PolarHBondContact O-N 3.48Å | ||
| 25 | K | 28.6 | Very low | 35.8 | Very low | 177 Ų | 177 | 165.4 Ų | 165.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -75.9 | 137.3 | 163.3 | -92 | 178.7 | 172.6 | 176.4 | 0 | 108.9 | K23 | K23-K25 PolarHBondContact O-N 2.57Š| ||
| 26 | K | 32.8 | Very low | 35.9 | Very low | 153 Ų | 153 | 162.1 Ų | 162.1 | 67% | 0.665 | 79% | 0.791 | S | S | * | * | trans | 81.1 | 130.1 | 138.6 | -113.9 | 170.1 | 172.6 | -163.5 | 0 | 120.2 | ||||
| 27 | Y | 31.5 | Very low | 36.5 | Very low | 189 Ų | 189 | 161.8 Ų | 161.8 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 86.2 | 63.1 | 156.4 | -46 | -65.6 | 0 | 0 | 0 | 119.6 | ||||
| 28 | G | 31.2 | Very low | 37.5 | Very low | 82 Ų | 82 | 158.1 Ų | 158.1 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -92.4 | 98 | 149.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S30 | G28-S30 PolarHBondContact O-N 2.63Š| ||
| 29 | R | 32 | Very low | 38.8 | Very low | 230 Ų | 230 | 149.4 Ų | 149.4 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | -48.9 | 124 | 175.3 | -67.8 | 176.8 | 180 | -173.2 | -0.7 | 109.6 | L31 | R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.36Å | ||
| 30 | S | 32.3 | Very low | 39.4 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | trans | -63.9 | 101.8 | 164.7 | 67 | 0 | 0 | 0 | 0 | 107.3 | G28 L32 | G28-S30 PolarHBondContact O-N 2.63Å; S30-L32 PolarHBondContact O-N 2.96Å | ||
| 31 | L | 37 | Very low | 40.1 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -72.5 | 67.7 | 162.5 | -72.8 | 169.6 | 0 | 0 | 0 | 107.7 | R29 K33 | R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.36Å; L31-K33 PolarHBondContact O-N 3.37Å | ||
| 32 | L | 33.2 | Very low | 41 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -63.9 | 85.5 | 157.8 | -79.7 | 161.2 | 0 | 0 | 0 | 106.7 | S30 | S30-L32 PolarHBondContact O-N 2.96Š| ||
| 33 | K | 39.3 | Very low | 42.7 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | -85.9 | 110.4 | 142.5 | -74.4 | -173.8 | 178.3 | -178.7 | 0 | 104.5 | L31 K35 | L31-K33 PolarHBondContact O-N 3.37Å; K33-K35 PolarHBondContact O-N 3.47Å | ||
| 34 | P | 40.2 | Very low | 44.3 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | trans | -60.3 | 108.4 | 175.4 | 23.4 | -29 | 0 | 0 | 0 | 106.7 | F36 | P34-F36 VanDerWaalsContact C-N 3.28Å; P34-F36 PolarHBondContact O-N 2.86Å | ||
| 35 | K | 41.5 | Very low | 45.9 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | trans | -59.5 | 106.9 | 157.5 | -73.3 | -178 | 178.1 | 179.9 | 0 | 103.4 | K33 D37 | K33-K35 PolarHBondContact O-N 3.47Å; K35-D37 PolarHBondContact O-N 3Å | ||
| 36 | F | 40.6 | Very low | 47.2 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 79% | 0.789 | 66% | 0.663 | S | S | * | * | trans | -58.4 | 90.9 | 164.8 | -98.2 | -93.3 | 0 | 0 | 0 | 105.4 | P34 S38 | P34-F36 VanDerWaalsContact C-N 3.28Å; P34-F36 PolarHBondContact O-N 2.86Å; F36-S38 PolarHBondContact O-N 3.2Å | ||
| 37 | D | 46.5 | Very low | 48.6 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | trans | -60 | 117 | 178.9 | -78.1 | -33.2 | 0 | 0 | 0 | 106.7 | K35 S39 M40 | K35-D37 PolarHBondContact O-N 3Å; D37-S39 PolarHBondContact O-N 3.42Å; D37-M40 PolarHBondContact O-N 3.03Å | ||
| 38 | S | 52.9 | Low | 50 | Low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -45.9 | -31.1 | 168.9 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | F36 M40 K41 T42 | F36-S38 PolarHBondContact O-N 3.2Å; S38-M40 VanDerWaalsContact C-N 3.35Å; S38-M40 PolarHBondContact O-N 3.37Å; S38-K41 PolarHBondContact O-N 3.49Å; S38-K41 VanDerWaalsContact O-N 3.13Å; S38-T42 PolarHBondContact O-N 3.19Å; S38-T42 PolarHBondContact O-OG1 3.44Å; S38-T42 VanDerWaalsContact O-OG1 3.08Å |
| 39 | S | 62.1 | Low | 51.2 | Low | 65 Ų | 65 | 126.9 Ų | 126.9 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -47.2 | -47 | 170.5 | -173.3 | 0 | 0 | 0 | 0 | 113.9 | D37 K41 T42 E43 | D37-S39 PolarHBondContact O-N 3.42Å; S39-K41 PolarHBondContact O-N 3.4Å; S39-T42 VanDerWaalsContact CA-OG1 3.29Å; S39-T42 WeakPolarHBondContact CA-OG1 2.83Å; S39-T42 PolarHBondContact O-N 3.47Å; S39-T42 PolarHBondContact O-OG1 3.17Å; S39-E43 VanDerWaalsContact O-CB 3.26Å; S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 PolarHBondContact O-N 3.3Å |
| 40 | M | 55.3 | Low | 52.1 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 52% | 0.517 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.2 | -30.7 | -178.6 | -75.1 | -83.8 | 94.5 | 0 | 0 | 112.9 | D37 S38 E43 K44 | D37-M40 PolarHBondContact O-N 3.03Å; S38-M40 VanDerWaalsContact C-N 3.35Å; S38-M40 PolarHBondContact O-N 3.37Å; M40-E43 WeakPolarHBondContact CE-OE2 3.29Å; M40-K44 WeakPolarHBondContact O-CB 3.06Å; M40-K44 WeakPolarHBondContact O-CG 3.43Å; M40-K44 PolarHBondContact O-N 3.18Å; M40-K44 VanDerWaalsContact O-N 3.1Å |
| 41 | K | 62.8 | Low | 53 | Low | 150 Ų | 150 | 121.2 Ų | 121.2 | 65% | 0.652 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.9 | -42 | 174.5 | -74.5 | -176 | 179.5 | 178.4 | 0 | 110.9 | S38 S39 H45 | S38-K41 PolarHBondContact O-N 3.49Å; S38-K41 VanDerWaalsContact O-N 3.13Å; S39-K41 PolarHBondContact O-N 3.4Å; K41-H45 WeakPolarHBondContact O-CB 3.35Å; K41-H45 PolarHBondContact O-N 2.99Å |
| 42 | T | 64 | Low | 53.5 | Low | 74 Ų | 74 | 121 Ų | 121 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -40.8 | 175.8 | 45.9 | 0 | 0 | 0 | 0 | 111.6 | S38 S39 H45 W46 | S38-T42 PolarHBondContact O-N 3.19Å; S38-T42 PolarHBondContact O-OG1 3.44Å; S38-T42 VanDerWaalsContact O-OG1 3.08Å; S39-T42 VanDerWaalsContact CA-OG1 3.29Å; S39-T42 WeakPolarHBondContact CA-OG1 2.83Å; S39-T42 PolarHBondContact O-N 3.47Å; S39-T42 PolarHBondContact O-OG1 3.17Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.01Å; T42-W46 PolarHBondContact O-N 3.15Å |
| 43 | E | 64.2 | Low | 54.1 | Low | 93 Ų | 93 | 116.3 Ų | 116.3 | 44% | 0.435 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.7 | -41.8 | 178.5 | -172 | 178.4 | 167.9 | 0 | 0 | 111.9 | S39 M40 H45 W46 N47 | S39-E43 VanDerWaalsContact O-CB 3.26Å; S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 PolarHBondContact O-N 3.3Å; M40-E43 WeakPolarHBondContact CE-OE2 3.29Å; E43-H45 VanDerWaalsContact C-N 3.32Å; E43-H45 PolarHBondContact O-N 3.46Å; E43-W46 PolarHBondContact O-N 3.06Å; E43-N47 VanDerWaalsContact O-CB 3.31Å; E43-N47 WeakPolarHBondContact O-CB 2.96Å; E43-N47 PolarHBondContact O-N 3.42Å; E43-N47 PolarHBondContact O-ND2 2.97Å |
| 44 | K | 68.7 | Low | 54.7 | Low | 158 Ų | 158 | 117.6 Ų | 117.6 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.3 | -41.8 | 171.6 | -80 | -175.2 | 178.8 | -176.2 | 0 | 112.1 | M40 Q48 | M40-K44 WeakPolarHBondContact O-CB 3.06Å; M40-K44 WeakPolarHBondContact O-CG 3.43Å; M40-K44 PolarHBondContact O-N 3.18Å; M40-K44 VanDerWaalsContact O-N 3.1Å; K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.39Å; K44-Q48 PolarHBondContact O-N 3.3Å |
| 45 | H | 67.1 | Low | 55.3 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.3 | -46.3 | 177.2 | -177.6 | 63.3 | 0 | 0 | 0 | 111.9 | K41 T42 E43 Q48 I49 | K41-H45 WeakPolarHBondContact O-CB 3.35Å; K41-H45 PolarHBondContact O-N 2.99Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.01Å; E43-H45 VanDerWaalsContact C-N 3.32Å; E43-H45 PolarHBondContact O-N 3.46Å; H45-Q48 PolarHBondContact O-N 3.3Å; H45-I49 VanDerWaalsContact NE2-CD1 3.34Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.39Å; H45-I49 WeakPolarHBondContact O-CG1 3.24Å; H45-I49 PolarHBondContact O-N 3.43Å |
| 46 | W | 55.7 | Low | 55.6 | Low | 160 Ų | 160 | 120 Ų | 120 | 61% | 0.606 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -40.4 | 177.7 | -78.7 | 116.1 | 0 | 0 | 0 | 113.1 | T42 E43 Q48 I49 S50 | T42-W46 PolarHBondContact O-N 3.15Å; E43-W46 PolarHBondContact O-N 3.06Å; W46-Q48 VanDerWaalsContact C-N 3.3Å; W46-Q48 PolarHBondContact O-N 3.19Å; W46-I49 HydrophobicContact CE3-CD1 4.47Å; W46-I49 PolarHBondContact O-N 3.49Å; W46-S50 VanDerWaalsContact O-CB 3.26Å; W46-S50 WeakPolarHBondContact O-CB 3.16Å; W46-S50 PolarHBondContact O-N 3.47Å; W46-S50 PolarHBondContact O-OG 3.41Å |
| 47 | N | 62.3 | Low | 55.8 | Low | 82 Ų | 82 | 116.4 Ų | 116.4 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -36.5 | 175.1 | -76.4 | -23.8 | 0 | 0 | 0 | 111.4 | E43 S50 L51 | E43-N47 VanDerWaalsContact O-CB 3.31Å; E43-N47 WeakPolarHBondContact O-CB 2.96Å; E43-N47 PolarHBondContact O-N 3.42Å; E43-N47 PolarHBondContact O-ND2 2.97Å; N47-S50 PolarHBondContact O-N 3.12Å; N47-L51 VanDerWaalsContact O-CB 3.25Å; N47-L51 WeakPolarHBondContact O-CB 3.06Å; N47-L51 WeakPolarHBondContact O-CD1 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.24Å; N47-L51 PolarHBondContact O-N 3.11Å |
| 48 | Q | 61.1 | Low | 56 | Low | 124 Ų | 124 | 121.8 Ų | 121.8 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.5 | -39.4 | 176.7 | -158.7 | 169.7 | 19.3 | 0 | 0 | 112.2 | K44 H45 W46 H52 | K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.39Å; K44-Q48 PolarHBondContact O-N 3.3Å; H45-Q48 PolarHBondContact O-N 3.3Å; W46-Q48 VanDerWaalsContact C-N 3.3Å; W46-Q48 PolarHBondContact O-N 3.19Å; Q48-H52 PolarHBondContact O-CD2 3.31Å |
| 49 | I | 55.8 | Low | 56 | Low | 71 Ų | 71 | 124.3 Ų | 124.3 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.9 | -45 | 172.2 | -67.1 | 166.1 | 0 | 0 | 0 | 110.4 | H45 W46 H52 S53 | H45-I49 VanDerWaalsContact NE2-CD1 3.34Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.39Å; H45-I49 WeakPolarHBondContact O-CG1 3.24Å; H45-I49 PolarHBondContact O-N 3.43Å; W46-I49 HydrophobicContact CE3-CD1 4.47Å; W46-I49 PolarHBondContact O-N 3.49Å; I49-H52 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.33Å |
| 50 | S | 51.6 | Low | 55.4 | Low | 67 Ų | 67 | 126.6 Ų | 126.6 | 47% | 0.469 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.3 | -36.8 | -175.3 | -56.3 | 0 | 0 | 0 | 0 | 113 | W46 N47 H52 S53 | W46-S50 VanDerWaalsContact O-CB 3.26Å; W46-S50 WeakPolarHBondContact O-CB 3.16Å; W46-S50 PolarHBondContact O-N 3.47Å; W46-S50 PolarHBondContact O-OG 3.41Å; N47-S50 PolarHBondContact O-N 3.12Å; S50-H52 VanDerWaalsContact C-N 3.27Å; S50-H52 PolarHBondContact O-N 3.35Å; S50-S53 PolarHBondContact O-N 2.83Å |
| 51 | L | 50.3 | Low | 54.8 | Low | 137 Ų | 137 | 128.3 Ų | 128.3 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.6 | -29.4 | 177.4 | -86.5 | 158 | 0 | 0 | 0 | 112.6 | N47 | N47-L51 VanDerWaalsContact O-CB 3.25Å; N47-L51 WeakPolarHBondContact O-CB 3.06Å; N47-L51 WeakPolarHBondContact O-CD1 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.24Å; N47-L51 PolarHBondContact O-N 3.11Å |
| 52 | H | 48.6 | Very low | 53.8 | Low | 159 Ų | 159 | 125.9 Ų | 125.9 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -89.5 | -5.5 | 177.8 | -67.4 | -52.1 | 0 | 0 | 0 | 114 | Q48 I49 S50 | Q48-H52 PolarHBondContact O-CD2 3.31Å; I49-H52 PolarHBondContact O-N 3.41Å; S50-H52 VanDerWaalsContact C-N 3.27Å; S50-H52 PolarHBondContact O-N 3.35Å |
| 53 | S | 45.7 | Very low | 53.5 | Low | 44 Ų | 44 | 129.2 Ų | 129.2 | 31% | 0.308 | 64% | 0.641 | S | S | . | * | trans | -117.4 | 72 | 179.6 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | I49 S50 K55 | I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.33Å; S50-S53 PolarHBondContact O-N 2.83Å; S53-K55 WeakPolarHBondContact CB-O 3.31Å; S53-K55 PolarHBondContact O-N 2.8Å | ||
| 54 | K | 52.2 | Low | 52.5 | Low | 210 Ų | 210 | 133 Ų | 133 | 91% | 0.913 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -66.1 | 11.4 | 161.7 | -74.9 | -162.2 | 176.4 | -172.9 | 0 | 113.6 | ||
| 55 | K | 52.9 | Low | 51.4 | Low | 154 Ų | 154 | 131.5 Ų | 131.5 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -135.7 | 132.7 | 173.4 | -67.3 | -174.1 | 177.7 | -176.6 | 0 | 105.8 | S53 | S53-K55 WeakPolarHBondContact CB-O 3.31Å; S53-K55 PolarHBondContact O-N 2.8Å |
| 56 | E | 48.1 | Very low | 50.1 | Low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 68% | 0.68 | S | S | * | * | trans | -34.2 | 135.7 | -176.5 | -68.8 | 172.3 | 150.9 | 0 | 0 | 112.1 | R58 | E56-R58 VanDerWaalsContact C-N 3.28Å; E56-R58 PolarHBondContact O-N 3.07Å | ||
| 57 | P | 44.5 | Very low | 49.2 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -61.7 | 92.4 | -175 | 25.8 | -33.7 | 0 | 0 | 0 | 109.6 | I59 | P57-I59 VanDerWaalsContact C-N 3.35Å; P57-I59 PolarHBondContact O-N 3.48Å | ||
| 58 | R | 49.4 | Very low | 47.8 | Very low | 215 Ų | 215 | 134.8 Ų | 134.8 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | -80.3 | 89.9 | 176.7 | -167.5 | 178.1 | -173.7 | 168.1 | 4 | 107.2 | E56 T60 | E56-R58 VanDerWaalsContact C-N 3.28Å; E56-R58 PolarHBondContact O-N 3.07Å; R58-T60 HydrophobicContact CG-CG2 4.36Å; R58-T60 PolarHBondContact O-N 3.41Å | ||
| 59 | I | 52.7 | Low | 46.7 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -57 | 106.9 | 169.9 | -55.7 | 172 | 0 | 0 | 0 | 106.6 | P57 L61 | P57-I59 VanDerWaalsContact C-N 3.35Å; P57-I59 PolarHBondContact O-N 3.48Å; I59-L61 HydrophobicContact CG2-CD2 4.39Å; I59-L61 HydrophobicContact CG2-CG 4.33Å | ||
| 60 | T | 49.5 | Very low | 45.7 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | -102.8 | 98.2 | 174.8 | 29.4 | 0 | 0 | 0 | 0 | 107.1 | R58 | R58-T60 HydrophobicContact CG-CG2 4.36Å; R58-T60 PolarHBondContact O-N 3.41Å | ||
| 61 | L | 44.7 | Very low | 45.1 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -70.7 | 132 | 170.4 | -66.8 | 171.9 | 0 | 0 | 0 | 108.5 | I59 V63 | I59-L61 HydrophobicContact CG2-CD2 4.39Å; I59-L61 HydrophobicContact CG2-CG 4.33Å; L61-V63 PolarHBondContact O-N 2.98Å | ||
| 62 | P | 41.1 | Very low | 44.5 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | -64.9 | 126 | 175.3 | 25.3 | -31 | 0 | 0 | 0 | 109.6 | K64 | P62-K64 PolarHBondContact O-N 2.79Å; P62-K64 VanDerWaalsContact O-N 3.13Å | ||
| 63 | V | 57.3 | Low | 44 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -71.4 | -4.2 | -173.9 | 177 | 0 | 0 | 0 | 0 | 113.3 | L61 | L61-V63 PolarHBondContact O-N 2.98Š|
| 64 | K | 43.1 | Very low | 43.6 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -141 | 141.9 | 171.3 | -67.5 | -166 | 177.7 | -171.3 | 0 | 111.3 | P62 T66 | P62-K64 PolarHBondContact O-N 2.79Å; P62-K64 VanDerWaalsContact O-N 3.13Å; K64-T66 PolarHBondContact O-N 2.88Å |
| 65 | P | 45.4 | Very low | 42.8 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -60.5 | 136 | -176.4 | 24.8 | -33 | 0 | 0 | 0 | 110.7 | G67 | P65-G67 PolarHBondContact O-N 2.75Š| ||
| 66 | T | 40.4 | Very low | 42.1 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 97.5 | -175.1 | 38.9 | 0 | 0 | 0 | 0 | 112 | K64 | K64-T66 PolarHBondContact O-N 2.88Š| ||
| 67 | G | 36.2 | Very low | 41.6 | Very low | 59 Ų | 59 | 149.7 Ų | 149.7 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -143.8 | 86.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P65 | P65-G67 PolarHBondContact O-N 2.75Š| ||
| 68 | Y | 32.3 | Very low | 41.5 | Very low | 219 Ų | 219 | 152.6 Ų | 152.6 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 68.5 | 123.1 | 162.6 | -76 | -87.8 | 0 | 0 | 0 | 121.2 | ||
| 69 | K | 38.8 | Very low | 41.1 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 83.1 | 94.7 | 152.6 | -60.5 | 178.6 | -174.3 | -178.9 | 0 | 118.5 | ||
| 70 | S | 35.2 | Very low | 40.1 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 52.6 | 101.1 | 156 | 57.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 71 | S | 39.7 | Very low | 39.6 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -70.6 | 124.5 | 166.5 | 46.3 | 0 | 0 | 0 | 0 | 111.1 | L73 | S71-L73 PolarHBondContact O-N 3.34Š| ||
| 72 | I | 36.1 | Very low | 39 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -76.5 | 113.7 | 169.5 | -64.5 | 170.2 | 0 | 0 | 0 | 107.4 | I74 | I72-I74 PolarHBondContact O-N 3.46Š| ||
| 73 | L | 39.3 | Very low | 38.8 | Very low | 138 Ų | 138 | 154 Ų | 154 | 72% | 0.723 | 80% | 0.802 | S | S | * | * | trans | -82 | 95.2 | -176.2 | -151.8 | 142.9 | 0 | 0 | 0 | 109.3 | S71 Q75 | S71-L73 PolarHBondContact O-N 3.34Å; L73-Q75 HydrophobicContact CD2-CG 3.94Å; L73-Q75 PolarHBondContact O-N 3.44Å; L73-Q75 VanDerWaalsContact O-N 3.1Å | ||
| 74 | I | 37.1 | Very low | 37.7 | Very low | 144 Ų | 144 | 154 Ų | 154 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -74.7 | 100.4 | 179.4 | -58.1 | 174.3 | 0 | 0 | 0 | 109 | I72 R76 | I72-I74 PolarHBondContact O-N 3.46Å; I74-R76 PolarHBondContact O-N 3.43Å | ||
| 75 | Q | 34.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 106.7 | 171.7 | -63.9 | -171.9 | 12.6 | 0 | 0 | 109.7 | L73 K77 | L73-Q75 HydrophobicContact CD2-CG 3.94Å; L73-Q75 PolarHBondContact O-N 3.44Å; L73-Q75 VanDerWaalsContact O-N 3.1Å; Q75-K77 PolarHBondContact O-N 3.18Å | ||
| 76 | R | 39 | Very low | 36.6 | Very low | 227 Ų | 227 | 154.3 Ų | 154.3 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.8 | 168.7 | -68.3 | -176 | 172.5 | 179.4 | -2.3 | 109.1 | I74 K78 | I74-R76 PolarHBondContact O-N 3.43Å; R76-K78 PolarHBondContact O-N 2.87Å |
| 77 | K | 37.4 | Very low | 36.1 | Very low | 211 Ų | 211 | 154.4 Ų | 154.4 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 122.9 | 177 | -76.2 | -173.8 | 175.5 | -179.7 | 0 | 109.5 | Q75 | Q75-K77 PolarHBondContact O-N 3.18Š|
| 78 | K | 42 | Very low | 35.7 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.3 | 176.8 | -76.3 | 172.5 | 179.8 | 157.1 | 0 | 109.7 | R76 | R76-K78 PolarHBondContact O-N 2.87Š|
| 79 | P | 42.2 | Very low | 35.6 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138 | 171.7 | 26.3 | -31.1 | 0 | 0 | 0 | 110.1 | N81 | P79-N81 PolarHBondContact O-N 3.13Š|
| 80 | W | 30.3 | Very low | 35 | Very low | 252 Ų | 252 | 156.8 Ų | 156.8 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | trans | -71 | 92.4 | 177.7 | -64.5 | -20.6 | 0 | 0 | 0 | 110.4 | ||||
| 81 | N | 39.9 | Very low | 34.6 | Very low | 145 Ų | 145 | 155 Ų | 155 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -111.9 | 106.5 | 161.6 | -69.7 | -10.2 | 0 | 0 | 0 | 107.6 | P79 A83 | P79-N81 PolarHBondContact O-N 3.13Å; N81-A83 PolarHBondContact O-N 3.08Å | ||
| 82 | T | 30.9 | Very low | 34 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -64.5 | 97.5 | 173.4 | 7.7 | 0 | 0 | 0 | 0 | 108.9 | V84 | T82-V84 PolarHBondContact O-N 3.24Š| ||
| 83 | A | 37.9 | Very low | 33.5 | Very low | 94 Ų | 94 | 155.1 Ų | 155.1 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -73.5 | 115.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | N81 K85 | N81-A83 PolarHBondContact O-N 3.08Å; A83-K85 PolarHBondContact O-N 3.5Å | ||
| 84 | V | 33.5 | Very low | 33 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -59.8 | 128.9 | 172.7 | 175.9 | 0 | 0 | 0 | 0 | 109 | T82 | T82-V84 PolarHBondContact O-N 3.24Š| ||
| 85 | K | 30.7 | Very low | 32.5 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 128.4 | 177.2 | -65 | 179.5 | 176.6 | -179.2 | 0 | 109.6 | A83 | A83-K85 PolarHBondContact O-N 3.5Š| ||
| 86 | S | 34.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 155 Ų | 155 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -119.9 | 121.9 | 154.8 | 52.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 87 | D | 30.4 | Very low | 32 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -76.1 | 127.2 | -176.5 | -70.7 | -50 | 0 | 0 | 0 | 111.3 | ||||
| 88 | V | 28.2 | Very low | 31.3 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 71% | 0.709 | 82% | 0.816 | S | S | * | * | trans | 34 | 120.2 | 134.8 | -169.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 89 | K | 30 | Very low | 30.7 | Very low | 205 Ų | 205 | 151.1 Ų | 151.1 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | -158.6 | 116.5 | 108.5 | -80.9 | -132.3 | 175.6 | 175.7 | 0 | 112.2 | |||||
| 90 | E | 26.5 | Very low | 29.9 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -62 | 125.2 | 163.8 | -165.4 | 166.1 | -158.4 | 0 | 0 | 109.3 | ||||
| 91 | G | 27.2 | Very low | 30 | Very low | 78 Ų | 78 | 151.4 Ų | 151.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -136.4 | 112.5 | -180 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 92 | H | 25.4 | Very low | 29.3 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 75% | 0.745 | 82% | 0.824 | S | S | * | * | trans | -85 | 148.8 | -162.7 | -152.7 | 42.4 | 0 | 0 | 0 | 112.4 | ||||
| 93 | N | 26.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 61% | 0.61 | 82% | 0.815 | S | S | * | * | trans | 64.2 | 123.4 | 151 | -57.8 | -20 | 0 | 0 | 0 | 120.6 | ||||
| 94 | Q | 29.4 | Very low | 28.8 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | 174.9 | 145.9 | 85.7 | -84.6 | -165.2 | 17.3 | 0 | 0 | 110.7 | |||||
| 95 | V | 25 | Very low | 28.7 | Very low | 145 Ų | 145 | 157 Ų | 157 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -62.5 | 125.5 | 172.6 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 96 | S | 34.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 154.3 Ų | 154.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -137 | 148.5 | 155 | 70.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 97 | K | 29.1 | Very low | 29 | Very low | 199 Ų | 199 | 154.8 Ų | 154.8 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -61 | 150.4 | -155.6 | -70.3 | 159.1 | 175.6 | 174.6 | 0 | 114.9 | E99 | K97-E99 PolarHBondContact O-N 3.11Å; K97-E99 VanDerWaalsContact O-N 3.17Å | ||
| 98 | C | 23.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 153 Ų | 153 | 95% | 0.946 | 80% | 0.802 | S | S | * | * | trans | -45.7 | 115.1 | 161 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 99 | E | 28.7 | Very low | 29.5 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -122 | 124.9 | 161.2 | -159.5 | 163.9 | -157.8 | 0 | 0 | 108.4 | K97 L101 | K97-E99 PolarHBondContact O-N 3.11Å; K97-E99 VanDerWaalsContact O-N 3.17Å; E99-L101 PolarHBondContact O-N 2.69Å | ||
| 100 | K | 25 | Very low | 29.6 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | -60.7 | 124.1 | 179 | -79.3 | 165.1 | 168.5 | 173.8 | 0 | 110 | ||||
| 101 | L | 32.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -139.4 | 104 | 149 | -76.2 | 179.2 | 0 | 0 | 0 | 110.8 | E99 | E99-L101 PolarHBondContact O-N 2.69Š| ||
| 102 | S | 26 | Very low | 30.3 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 20 | 126.1 | 133.7 | -159.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 103 | S | 29.8 | Very low | 30.8 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 61.1 | 113.9 | 139.4 | 60.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 104 | R | 28.5 | Very low | 31.3 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 49.2 | 92.3 | 127.2 | -165.2 | 177.3 | 179.9 | -144.6 | 4.5 | 115.9 | E106 | R104-E106 HydrophobicContact CG-CG 4.04Å; R104-E106 IonicContact CZ-OE1 3.11Å; R104-E106 IonicContact CZ-OE2 3.6Å; R104-E106 VanDerWaalsContact NE-CD 3.26Å; R104-E106 IonicContact NE-OE1 2.83Å; R104-E106 PolarHBondContact NE-OE1 3.35Å; R104-E106 IonicContact NE-OE2 3.67Å; R104-E106 IonicContact NH2-OE1 2.64Å; R104-E106 PolarHBondContact NH2-OE1 2.98Å; R104-E106 IonicContact NH2-OE2 3.17Å; R104-E106 PolarHBondContact NH2-OE2 3.43Å | |||
| 105 | R | 31.8 | Very low | 32.2 | Very low | 244 Ų | 244 | 147.1 Ų | 147.1 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -103.4 | 100 | 145 | -78.6 | -171.6 | -169.2 | 160.9 | 4.1 | 108.1 | V107 | R105-V107 PolarHBondContact O-N 3.35Š| ||
| 106 | E | 33.9 | Very low | 33 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 61% | 0.607 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 117.4 | 157.6 | -72.7 | 174.2 | 167.7 | 0 | 0 | 107.2 | R104 S108 | R104-E106 HydrophobicContact CG-CG 4.04Å; R104-E106 IonicContact CZ-OE1 3.11Å; R104-E106 IonicContact CZ-OE2 3.6Å; R104-E106 VanDerWaalsContact NE-CD 3.26Å; R104-E106 IonicContact NE-OE1 2.83Å; R104-E106 PolarHBondContact NE-OE1 3.35Å; R104-E106 IonicContact NE-OE2 3.67Å; R104-E106 IonicContact NH2-OE1 2.64Å; R104-E106 PolarHBondContact NH2-OE1 2.98Å; R104-E106 IonicContact NH2-OE2 3.17Å; R104-E106 PolarHBondContact NH2-OE2 3.43Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.1Å | ||
| 107 | V | 37.4 | Very low | 33.4 | Very low | 128 Ų | 128 | 151 Ų | 151 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -81.1 | 92.5 | 165.4 | -180 | 0 | 0 | 0 | 0 | 105.5 | R105 L109 | R105-V107 PolarHBondContact O-N 3.35Å; V107-L109 PolarHBondContact O-N 3.2Å; V107-L109 VanDerWaalsContact O-N 3.16Å | ||
| 108 | S | 33 | Very low | 34.4 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -62 | 108.8 | 167.7 | 10.2 | 0 | 0 | 0 | 0 | 108.4 | E106 | E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.1Å | ||
| 109 | L | 34.6 | Very low | 36.1 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -66.3 | 126.6 | 160.8 | -98 | 86.5 | 0 | 0 | 0 | 107.6 | V107 I111 | V107-L109 PolarHBondContact O-N 3.2Å; V107-L109 VanDerWaalsContact O-N 3.16Å; L109-I111 PolarHBondContact O-N 3.5Å | ||
| 110 | P | 32.3 | Very low | 37.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | -67.3 | 109.7 | 176.3 | 26.3 | -31.2 | 0 | 0 | 0 | 109.3 | S112 | P110-S112 PolarHBondContact O-N 3.08Š| ||
| 111 | I | 37.1 | Very low | 39.3 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -69.1 | 100.9 | 165.9 | -60.6 | 168.5 | 0 | 0 | 0 | 105.5 | L109 T113 | L109-I111 PolarHBondContact O-N 3.5Å; I111-T113 PolarHBondContact O-N 3.33Å | ||
| 112 | S | 32.5 | Very low | 41.2 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -59.2 | 106.1 | 169.3 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | P110 D114 | P110-S112 PolarHBondContact O-N 3.08Å; S112-D114 PolarHBondContact O-N 3.05Å | ||
| 113 | T | 36.2 | Very low | 43.4 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | trans | -76.6 | 68.8 | 173.5 | 45.4 | 0 | 0 | 0 | 0 | 109.7 | I111 K115 | I111-T113 PolarHBondContact O-N 3.33Å; T113-K115 PolarHBondContact O-N 2.83Å | ||
| 114 | D | 36 | Very low | 45.7 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | -75.8 | 80 | 159.7 | -87 | -23.6 | 0 | 0 | 0 | 107.9 | S112 N116 | S112-D114 PolarHBondContact O-N 3.05Å; D114-N116 PolarHBondContact O-N 3.26Å | ||
| 115 | K | 48 | Very low | 48 | Very low | 181 Ų | 181 | 127 Ų | 127 | 79% | 0.787 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 5.6 | -178.4 | -83.2 | -81 | -175.7 | 175.3 | 0 | 115 | T113 | T113-K115 PolarHBondContact O-N 2.83Š|
| 116 | N | 41.8 | Very low | 50.2 | Low | 153 Ų | 153 | 121.2 Ų | 121.2 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 8.6 | -170 | -76.1 | -7.8 | 0 | 0 | 0 | 116.4 | D114 S118 | D114-N116 PolarHBondContact O-N 3.26Å; N116-S118 VanDerWaalsContact C-N 3.3Å; N116-S118 PolarHBondContact O-N 3.04Å |
| 117 | K | 43.9 | Very low | 52.7 | Low | 189 Ų | 189 | 123.4 Ų | 123.4 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | -89.4 | 73.7 | 163 | -70.8 | -178.1 | -177.3 | 174 | 0 | 109 | S119 | K117-S119 PolarHBondContact O-N 2.99Å; K117-S119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | S | 49.5 | Very low | 54.8 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 76% | 0.755 | 63% | 0.633 | S | S | * | * | trans | -54.4 | 122.5 | 159.4 | 51.3 | 0 | 0 | 0 | 0 | 106.6 | N116 D120 | N116-S118 VanDerWaalsContact C-N 3.3Å; N116-S118 PolarHBondContact O-N 3.04Å; S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 PolarHBondContact O-N 2.77Å | ||
| 119 | S | 60.3 | Low | 56.9 | Low | 92 Ų | 92 | 119.3 Ų | 119.3 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | trans | -59.7 | 101.6 | 176.5 | 45.6 | 0 | 0 | 0 | 0 | 107 | K117 L121 | K117-S119 PolarHBondContact O-N 2.99Å; K117-S119 VanDerWaalsContact O-N 3.14Å; S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 WeakPolarHBondContact O-CG 3.3Å; S119-L121 PolarHBondContact O-N 3.48Å | ||
| 120 | D | 58.5 | Low | 58.9 | Low | 70 Ų | 70 | 120 Ų | 120 | 37% | 0.374 | 61% | 0.61 | S | S | . | * | trans | -70.4 | 91 | -176.2 | -169.9 | 0.9 | 0 | 0 | 0 | 109.1 | S118 R122 | S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 PolarHBondContact O-N 2.77Å; D120-R122 PolarHBondContact O-N 3.33Å; D120-R122 VanDerWaalsContact O-N 3.07Å; D120-R122 WeakPolarHBondContact OD1-CB 3.45Å; D120-R122 WeakPolarHBondContact OD1-CD 2.95Å; D120-R122 WeakPolarHBondContact OD1-CG 3.37Å; D120-R122 IonicContact OD1-CZ 3.8Å; D120-R122 PolarHBondContact OD1-N 3.13Å; D120-R122 VanDerWaalsContact OD1-N 3.15Å; D120-R122 IonicContact OD1-NE 2.83Å; D120-R122 PolarHBondContact OD1-NE 2.95Å; D120-R122 IonicContact OD1-NH2 3.91Å; D120-R122 IonicContact OD2-CZ 3.14Å; D120-R122 IonicContact OD2-NE 2.84Å; D120-R122 PolarHBondContact OD2-NE 2.73Å; D120-R122 IonicContact OD2-NH2 2.68Å; D120-R122 PolarHBondContact OD2-NH2 2.74Å | ||
| 121 | L | 61.7 | Low | 60.9 | Low | 50 Ų | 50 | 117.2 Ų | 117.2 | 26% | 0.262 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -73 | 6.3 | 179.7 | -54.6 | 171.2 | 0 | 0 | 0 | 111.3 | S119 H123 I124 R129 Q136 | S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 WeakPolarHBondContact O-CG 3.3Å; S119-L121 PolarHBondContact O-N 3.48Å; L121-H123 PolarHBondContact O-N 3.33Å; L121-I124 HydrophobicContact CB-CD1 4.07Å; L121-I124 HydrophobicContact CB-CG1 4.45Å; L121-I124 HydrophobicContact CD2-CD1 3.39Å; L121-I124 HydrophobicContact CD2-CG1 4.47Å; L121-I124 HydrophobicContact CG-CD1 4.25Å; L121-I124 WeakPolarHBondContact O-CB 3.27Å; L121-I124 PolarHBondContact O-N 3.33Å; L121-R129 PolarHBondContact O-NE 2.66Å; L121-R129 PolarHBondContact O-NH2 2.94Å; L121-Q136 VanDerWaalsContact CD1-NE2 3.32Å |
| 122 | R | 71.9 | Confident | 62.9 | Low | 183 Ų | 183 | 112.8 Ų | 112.8 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -57 | -18.4 | 179 | -77.5 | -176.4 | -72.2 | -177.9 | -1 | 114.6 | D120 R129 | D120-R122 PolarHBondContact O-N 3.33Å; D120-R122 VanDerWaalsContact O-N 3.07Å; D120-R122 WeakPolarHBondContact OD1-CB 3.45Å; D120-R122 WeakPolarHBondContact OD1-CD 2.95Å; D120-R122 WeakPolarHBondContact OD1-CG 3.37Å; D120-R122 IonicContact OD1-CZ 3.8Å; D120-R122 PolarHBondContact OD1-N 3.13Å; D120-R122 VanDerWaalsContact OD1-N 3.15Å; D120-R122 IonicContact OD1-NE 2.83Å; D120-R122 PolarHBondContact OD1-NE 2.95Å; D120-R122 IonicContact OD1-NH2 3.91Å; D120-R122 IonicContact OD2-CZ 3.14Å; D120-R122 IonicContact OD2-NE 2.84Å; D120-R122 PolarHBondContact OD2-NE 2.73Å; D120-R122 IonicContact OD2-NH2 2.68Å; D120-R122 PolarHBondContact OD2-NH2 2.74Å; R122-R129 VanDerWaalsContact CA-NH2 3.26Å; R122-R129 PolarHBondContact O-NH2 3.12Å |
| 123 | H | 73.1 | Confident | 64.9 | Low | 171 Ų | 171 | 114.7 Ų | 114.7 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -89.5 | -9.8 | 175.2 | -58.7 | -61.8 | 0 | 0 | 0 | 114.4 | L121 | L121-H123 PolarHBondContact O-N 3.33Š|
| 124 | I | 76.8 | Confident | 66.6 | Low | 44 Ų | 44 | 116.8 Ų | 116.8 | 23% | 0.226 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -84.4 | 137.8 | -176.4 | -60.5 | -175.9 | 0 | 0 | 0 | 110.7 | L121 L128 R129 | L121-I124 HydrophobicContact CB-CD1 4.07Å; L121-I124 HydrophobicContact CB-CG1 4.45Å; L121-I124 HydrophobicContact CD2-CD1 3.39Å; L121-I124 HydrophobicContact CD2-CG1 4.47Å; L121-I124 HydrophobicContact CG-CD1 4.25Å; L121-I124 WeakPolarHBondContact O-CB 3.27Å; L121-I124 PolarHBondContact O-N 3.33Å; I124-L128 HydrophobicContact CG2-CB 3.73Å; I124-L128 HydrophobicContact CG2-CD2 3.7Å; I124-L128 HydrophobicContact CG2-CG 3.94Å; I124-R129 HydrophobicContact CB-CG 3.96Å; I124-R129 HydrophobicContact CG2-CG 3.9Å; I124-R129 PolarHBondContact O-NE 3.48Å; I124-R129 PolarHBondContact O-NH2 3.04Å |
| 125 | P | 77.5 | Confident | 68.3 | Low | 70 Ų | 70 | 114.1 Ų | 114.1 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | trans | -53 | 143.4 | 172.6 | -28 | 35.7 | 0 | 0 | 0 | 113.5 | W127 L128 R129 | P125-W127 VanDerWaalsContact C-N 3.26Å; P125-W127 HydrophobicContact CB-CG 4.49Å; P125-W127 PolarHBondContact O-N 3.17Å; P125-L128 PolarHBondContact O-N 3.49Å; P125-R129 PolarHBondContact O-N 3.2Å; P125-R129 VanDerWaalsContact O-N 3.08Å | ||
| 126 | I | 79 | Confident | 69.4 | Low | 122 Ų | 122 | 109 Ų | 109 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.6 | -39.2 | -174 | -62.3 | 168.7 | 0 | 0 | 0 | 112.1 | L128 R129 K130 | I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 2.94Å; I126-R129 PolarHBondContact O-N 2.94Å; I126-K130 HydrophobicContact CG2-CD 4.47Å; I126-K130 WeakPolarHBondContact O-CG 2.69Å; I126-K130 PolarHBondContact O-N 3.23Å |
| 127 | W | 85.7 | Confident | 70.8 | Confident | 176 Ų | 176 | 104.9 Ų | 104.9 | 67% | 0.667 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 179.8 | 70.7 | -97.5 | 0 | 0 | 0 | 111.9 | P125 K130 S131 | P125-W127 VanDerWaalsContact C-N 3.26Å; P125-W127 HydrophobicContact CB-CG 4.49Å; P125-W127 PolarHBondContact O-N 3.17Å; W127-K130 WeakPolarHBondContact O-CB 2.89Å; W127-K130 PolarHBondContact O-N 3Å; W127-S131 PolarHBondContact O-N 3.15Å; W127-S131 PolarHBondContact O-OG 3.3Å |
| 128 | L | 80.5 | Confident | 71.8 | Confident | 59 Ų | 59 | 99.3 Ų | 99.3 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.8 | -34.1 | -179.8 | -171.3 | 68.2 | 0 | 0 | 0 | 111 | I124 P125 I126 K130 S131 L132 | I124-L128 HydrophobicContact CG2-CB 3.73Å; I124-L128 HydrophobicContact CG2-CD2 3.7Å; I124-L128 HydrophobicContact CG2-CG 3.94Å; P125-L128 PolarHBondContact O-N 3.49Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 2.94Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-S131 WeakPolarHBondContact CA-OG 3.41Å; L128-S131 PolarHBondContact O-N 2.94Å; L128-S131 PolarHBondContact O-OG 2.92Å; L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 3.96Å; L128-L132 HydrophobicContact CG-CG 4.44Å; L128-L132 VanDerWaalsContact O-CB 3.29Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 VanDerWaalsContact O-CG 3.23Å; L128-L132 WeakPolarHBondContact O-CG 3.3Å; L128-L132 PolarHBondContact O-N 2.92Å |
| 129 | R | 76.9 | Confident | 72.7 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 34% | 0.34 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 168.8 | -65.3 | -170.4 | -147.1 | 175.2 | 6.8 | 111.8 | L121 R122 I124 P125 I126 L132 K133 | L121-R129 PolarHBondContact O-NE 2.66Å; L121-R129 PolarHBondContact O-NH2 2.94Å; R122-R129 VanDerWaalsContact CA-NH2 3.26Å; R122-R129 PolarHBondContact O-NH2 3.12Å; I124-R129 HydrophobicContact CB-CG 3.96Å; I124-R129 HydrophobicContact CG2-CG 3.9Å; I124-R129 PolarHBondContact O-NE 3.48Å; I124-R129 PolarHBondContact O-NH2 3.04Å; P125-R129 PolarHBondContact O-N 3.2Å; P125-R129 VanDerWaalsContact O-N 3.08Å; I126-R129 PolarHBondContact O-N 2.94Å; R129-L132 PolarHBondContact O-N 3.38Å; R129-K133 WeakPolarHBondContact O-CB 3.45Å; R129-K133 PolarHBondContact O-N 2.96Å |
| 130 | K | 76.9 | Confident | 73.3 | Confident | 159 Ų | 159 | 104.8 Ų | 104.8 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 177.3 | -76.8 | -178.6 | 178.1 | -176.1 | 0 | 111.7 | I126 W127 L128 K133 | I126-K130 HydrophobicContact CG2-CD 4.47Å; I126-K130 WeakPolarHBondContact O-CG 2.69Å; I126-K130 PolarHBondContact O-N 3.23Å; W127-K130 WeakPolarHBondContact O-CB 2.89Å; W127-K130 PolarHBondContact O-N 3Å; L128-K130 VanDerWaalsContact C-N 3.33Å; K130-K133 PolarHBondContact O-N 3.31Å |
| 131 | S | 75.8 | Confident | 73.8 | Confident | 64 Ų | 64 | 108 Ų | 108 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 178.2 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | W127 L128 K133 | W127-S131 PolarHBondContact O-N 3.15Å; W127-S131 PolarHBondContact O-OG 3.3Å; L128-S131 WeakPolarHBondContact CA-OG 3.41Å; L128-S131 PolarHBondContact O-N 2.94Å; L128-S131 PolarHBondContact O-OG 2.92Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 3.46Å |
| 132 | L | 77.4 | Confident | 74.2 | Confident | 60 Ų | 60 | 112.5 Ų | 112.5 | 31% | 0.314 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.9 | -21.8 | 178.1 | -72 | 170.8 | 0 | 0 | 0 | 113.2 | L128 R129 F134 V135 Q136 | L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 3.96Å; L128-L132 HydrophobicContact CG-CG 4.44Å; L128-L132 VanDerWaalsContact O-CB 3.29Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 VanDerWaalsContact O-CG 3.23Å; L128-L132 WeakPolarHBondContact O-CG 3.3Å; L128-L132 PolarHBondContact O-N 2.92Å; R129-L132 PolarHBondContact O-N 3.38Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.32Å; L132-V135 PolarHBondContact O-N 3.48Å; L132-Q136 WeakPolarHBondContact O-CB 3.27Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 2.92Å |
| 133 | K | 75.8 | Confident | 74.2 | Confident | 134 Ų | 134 | 108.8 Ų | 108.8 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.6 | -38.5 | -178.2 | -158.8 | 177 | -176 | -175.6 | 0 | 112.2 | R129 K130 S131 Q136 N137 | R129-K133 WeakPolarHBondContact O-CB 3.45Å; R129-K133 PolarHBondContact O-N 2.96Å; K130-K133 PolarHBondContact O-N 3.31Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 3.46Å; K133-Q136 PolarHBondContact O-N 3.21Å; K133-N137 WeakPolarHBondContact O-CB 3.18Å; K133-N137 PolarHBondContact O-N 2.75Å; K133-N137 PolarHBondContact O-OD1 3.48Å; K133-N137 VanDerWaalsContact O-OD1 3.11Å |
| 134 | F | 71.1 | Confident | 73.9 | Confident | 151 Ų | 151 | 106.3 Ų | 106.3 | 66% | 0.662 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 176.6 | -176 | -96.9 | 0 | 0 | 0 | 111.7 | L132 Q136 N137 C138 | L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.32Å; F134-Q136 PolarHBondContact O-N 3.43Å; F134-N137 WeakPolarHBondContact O-CB 3.18Å; F134-N137 PolarHBondContact O-N 2.88Å; F134-C138 PolarHBondContact O-N 3.11Å; F134-C138 VanDerWaalsContact O-N 3.16Å; F134-C138 PolarHBondContact O-SG 3.27Å; F134-C138 VanDerWaalsContact O-SG 3.32Å |
| 135 | V | 72.9 | Confident | 72.8 | Confident | 70 Ų | 70 | 113.2 Ų | 113.2 | 42% | 0.424 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -42.7 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | L132 N137 C138 F139 | L132-V135 PolarHBondContact O-N 3.48Å; V135-N137 VanDerWaalsContact C-N 3.35Å; V135-C138 WeakPolarHBondContact O-CB 3.21Å; V135-C138 PolarHBondContact O-N 2.94Å; V135-F139 HydrophobicContact CG1-CD2 4.14Å; V135-F139 HydrophobicContact CG1-CE2 3.65Å; V135-F139 WeakPolarHBondContact O-CD2 3.5Å; V135-F139 PolarHBondContact O-N 2.72Å |
| 136 | Q | 69.8 | Low | 72 | Confident | 73 Ų | 73 | 117.3 Ų | 117.3 | 34% | 0.341 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.8 | -38.8 | 175.6 | -76.9 | 179.7 | -14.7 | 0 | 0 | 112.4 | L121 L132 K133 F134 C138 F139 L140 | L121-Q136 VanDerWaalsContact CD1-NE2 3.32Å; L132-Q136 WeakPolarHBondContact O-CB 3.27Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 2.92Å; K133-Q136 PolarHBondContact O-N 3.21Å; F134-Q136 PolarHBondContact O-N 3.43Å; Q136-C138 VanDerWaalsContact C-N 3.28Å; Q136-C138 PolarHBondContact O-N 3.14Å; Q136-F139 PolarHBondContact O-N 3.17Å; Q136-F139 VanDerWaalsContact O-N 3.09Å; Q136-L140 WeakPolarHBondContact O-CG 3.37Å; Q136-L140 PolarHBondContact O-N 3Å |
| 137 | N | 72.4 | Confident | 70.4 | Confident | 67 Ų | 67 | 116.8 Ų | 116.8 | 36% | 0.358 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60 | -40 | 174.9 | -71.9 | -0.6 | 0 | 0 | 0 | 111.1 | K133 F134 V135 F139 L140 E141 | K133-N137 WeakPolarHBondContact O-CB 3.18Å; K133-N137 PolarHBondContact O-N 2.75Å; K133-N137 PolarHBondContact O-OD1 3.48Å; K133-N137 VanDerWaalsContact O-OD1 3.11Å; F134-N137 WeakPolarHBondContact O-CB 3.18Å; F134-N137 PolarHBondContact O-N 2.88Å; V135-N137 VanDerWaalsContact C-N 3.35Å; N137-F139 PolarHBondContact O-N 3.15Å; N137-L140 PolarHBondContact O-N 3.38Å; N137-L140 VanDerWaalsContact O-N 3.12Å; N137-E141 WeakPolarHBondContact O-CB 3.5Å; N137-E141 WeakPolarHBondContact O-CG 3.47Å; N137-E141 PolarHBondContact O-N 2.67Å |
| 138 | C | 63.4 | Low | 68.5 | Low | 72 Ų | 72 | 114.8 Ų | 114.8 | 49% | 0.486 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.1 | -23 | 176.2 | -61 | 0 | 0 | 0 | 0 | 114.2 | F134 V135 Q136 | F134-C138 PolarHBondContact O-N 3.11Å; F134-C138 VanDerWaalsContact O-N 3.16Å; F134-C138 PolarHBondContact O-SG 3.27Å; F134-C138 VanDerWaalsContact O-SG 3.32Å; V135-C138 WeakPolarHBondContact O-CB 3.21Å; V135-C138 PolarHBondContact O-N 2.94Å; Q136-C138 VanDerWaalsContact C-N 3.28Å; Q136-C138 PolarHBondContact O-N 3.14Å |
| 139 | F | 68.7 | Low | 66.8 | Low | 175 Ų | 175 | 118 Ų | 118 | 77% | 0.768 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -95.5 | -15.1 | 176 | -68.4 | -69.6 | 0 | 0 | 0 | 113.5 | V135 Q136 N137 | V135-F139 HydrophobicContact CG1-CD2 4.14Å; V135-F139 HydrophobicContact CG1-CE2 3.65Å; V135-F139 WeakPolarHBondContact O-CD2 3.5Å; V135-F139 PolarHBondContact O-N 2.72Å; Q136-F139 PolarHBondContact O-N 3.17Å; Q136-F139 VanDerWaalsContact O-N 3.09Å; N137-F139 PolarHBondContact O-N 3.15Å |
| 140 | L | 72.7 | Confident | 65.1 | Low | 141 Ų | 141 | 121.6 Ų | 121.6 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -91.3 | -32.2 | 174.7 | -72.4 | 170 | 0 | 0 | 0 | 111.9 | Q136 N137 | Q136-L140 WeakPolarHBondContact O-CG 3.37Å; Q136-L140 PolarHBondContact O-N 3Å; N137-L140 PolarHBondContact O-N 3.38Å; N137-L140 VanDerWaalsContact O-N 3.12Å |
| 141 | E | 70.1 | Confident | 63.4 | Low | 138 Ų | 138 | 118.5 Ų | 118.5 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -69 | 136.1 | 171.4 | -73.1 | 178.2 | -174 | 0 | 0 | 109.7 | N137 | N137-E141 WeakPolarHBondContact O-CB 3.5Å; N137-E141 WeakPolarHBondContact O-CG 3.47Å; N137-E141 PolarHBondContact O-N 2.67Å |
| 142 | D | 70.1 | Confident | 61.7 | Low | 143 Ų | 143 | 123.6 Ų | 123.6 | 77% | 0.765 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 138.1 | 173.6 | -75.8 | -34.4 | 0 | 0 | 0 | 109 | ||
| 143 | P | 71.8 | Confident | 59.7 | Low | 105 Ų | 105 | 127.3 Ų | 127.3 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 139.4 | 177.9 | 22.5 | -32.6 | 0 | 0 | 0 | 109.1 | K145 | P143-K145 PolarHBondContact O-N 2.95Š|
| 144 | P | 66.4 | Low | 58.3 | Low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 120.8 | 180 | 19.7 | -30.4 | 0 | 0 | 0 | 108.5 | L146 | P144-L146 PolarHBondContact O-N 3.17Š|
| 145 | K | 54.5 | Low | 56.8 | Low | 189 Ų | 189 | 125 Ų | 125 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | trans | -55.8 | 115.7 | 178.2 | -73.4 | 177.3 | -178.6 | 174.1 | 0 | 107.3 | P143 T147 | P143-K145 PolarHBondContact O-N 2.95Å; K145-T147 VanDerWaalsContact C-N 3.3Å; K145-T147 PolarHBondContact O-N 2.87Å | ||
| 146 | L | 61.3 | Low | 54.9 | Low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | trans | -64.7 | 96.4 | 168.7 | -60.9 | 173.3 | 0 | 0 | 0 | 106.1 | P144 D148 | P144-L146 PolarHBondContact O-N 3.17Å; L146-D148 PolarHBondContact O-N 3.3Å | ||
| 147 | T | 43.5 | Very low | 53.3 | Low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | -67.7 | 104.1 | 165.2 | 26.6 | 0 | 0 | 0 | 0 | 106.7 | K145 D149 | K145-T147 VanDerWaalsContact C-N 3.3Å; K145-T147 PolarHBondContact O-N 2.87Å; T147-D149 PolarHBondContact O-N 2.84Å | ||
| 148 | D | 46.2 | Very low | 51.5 | Low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -66 | 60.5 | 164.8 | -81.8 | -29.3 | 0 | 0 | 0 | 109.5 | L146 F150 | L146-D148 PolarHBondContact O-N 3.3Å; D148-F150 PolarHBondContact O-N 2.79Å | ||
| 149 | D | 45.4 | Very low | 50.1 | Low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | -72.8 | 1.4 | 165.8 | -73.5 | -26.4 | 0 | 0 | 0 | 111.3 | T147 P151 | T147-D149 PolarHBondContact O-N 2.84Å; D149-P151 WeakPolarHBondContact O-CD 3.36Å | ||
| 150 | F | 40.2 | Very low | 49.1 | Very low | 165 Ų | 165 | 140 Ų | 140 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -112.3 | 87 | 163.7 | -67.4 | -78.5 | 0 | 0 | 0 | 109 | D148 H152 | D148-F150 PolarHBondContact O-N 2.79Å; F150-H152 VanDerWaalsContact C-N 3.34Å; F150-H152 PolarHBondContact O-N 2.75Å |
| 151 | P | 41.3 | Very low | 47.7 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | trans | -61.1 | 104 | 168.6 | 25.6 | -31.7 | 0 | 0 | 0 | 107.3 | D149 N153 | D149-P151 WeakPolarHBondContact O-CD 3.36Å; P151-N153 PolarHBondContact O-N 3.2Å | ||
| 152 | H | 41 | Very low | 46.7 | Very low | 171 Ų | 171 | 136 Ų | 136 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -66.1 | 76.5 | 165.1 | -76.4 | -67 | 0 | 0 | 0 | 108 | F150 A154 | F150-H152 VanDerWaalsContact C-N 3.34Å; F150-H152 PolarHBondContact O-N 2.75Å; H152-A154 PolarHBondContact O-N 3.38Å | ||
| 153 | N | 35.2 | Very low | 46 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -67 | 77.8 | 159.2 | -83.2 | -32.8 | 0 | 0 | 0 | 107 | P151 N155 | P151-N153 PolarHBondContact O-N 3.2Å; N153-N155 PolarHBondContact O-N 3.09Å | ||
| 154 | A | 45.7 | Very low | 45.4 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | -66.9 | 6.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H152 | H152-A154 PolarHBondContact O-N 3.38Š| ||
| 155 | N | 40.1 | Very low | 45.7 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | -142.5 | 67.9 | 179.3 | -68.7 | -45.8 | 0 | 0 | 0 | 110.2 | N153 | N153-N155 PolarHBondContact O-N 3.09Š| ||
| 156 | K | 33.7 | Very low | 46.7 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | trans | -144.1 | 113.2 | 141.4 | -73.5 | -139.2 | 172.7 | -142.8 | 0 | 110 | D158 | K156-D158 PolarHBondContact O-N 2.89Š| ||
| 157 | E | 35 | Very low | 47.5 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -38.7 | 114.9 | 150.5 | -66.5 | 165.4 | 139.4 | 0 | 0 | 108.9 | ||||
| 158 | D | 35.3 | Very low | 49.2 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | trans | -174.4 | 134.1 | 138.5 | -85.9 | -32.2 | 0 | 0 | 0 | 108.4 | K156 | K156-D158 PolarHBondContact O-N 2.89Š| ||
| 159 | G | 34.4 | Very low | 50.8 | Low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | trans | -73.2 | 171 | -153.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 160 | N | 46.6 | Very low | 52.4 | Low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 69% | 0.69 | S | S | * | * | trans | 107.8 | 25.4 | 157.8 | -54.2 | -28.7 | 0 | 0 | 0 | 118.6 | ||||
| 161 | A | 44.2 | Very low | 54.4 | Low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | trans | -94.5 | 107.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 162 | P | 49.2 | Very low | 56.2 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | trans | -61 | 127.9 | -179.9 | 22 | -29.1 | 0 | 0 | 0 | 108.7 | N164 | P162-N164 PolarHBondContact O-N 3.03Š| ||
| 163 | P | 54.3 | Low | 58 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | trans | -56 | 137.3 | -176.8 | 20.9 | -31.3 | 0 | 0 | 0 | 109.1 | T165 | P163-T165 PolarHBondContact O-N 2.7Å; P163-T165 PolarHBondContact O-OG1 3.24Å | ||
| 164 | N | 60.5 | Low | 60.2 | Low | 136 Ų | 136 | 122.4 Ų | 122.4 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -61.2 | 71.6 | -178.3 | -156.6 | 7.2 | 0 | 0 | 0 | 110.3 | P162 V169 | P162-N164 PolarHBondContact O-N 3.03Å; N164-V169 VanDerWaalsContact OD1-CG2 3.27Å; N164-V169 WeakPolarHBondContact OD1-CG2 3.23Å | ||
| 165 | T | 71.9 | Confident | 61.7 | Low | 75 Ų | 75 | 121 Ų | 121 | 46% | 0.46 | 65% | 0.654 | S | S | . | * | trans | -83.4 | 149.3 | -176.5 | 17.1 | 0 | 0 | 0 | 0 | 107.4 | P163 K167 V168 V169 | P163-T165 PolarHBondContact O-N 2.7Å; P163-T165 PolarHBondContact O-OG1 3.24Å; T165-K167 PolarHBondContact O-N 2.98Å; T165-V168 WeakPolarHBondContact O-CA 3.19Å; T165-V168 WeakPolarHBondContact O-CB 3.42Å; T165-V168 PolarHBondContact O-N 3.37Å; T165-V169 PolarHBondContact O-N 3.05Å | ||
| 166 | F | 74.7 | Confident | 63.3 | Low | 165 Ų | 165 | 116.5 Ų | 116.5 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -46.8 | -34.2 | 175.4 | 179.5 | -99 | 0 | 0 | 0 | 112.8 | V168 V169 H170 | F166-V168 PolarHBondContact O-N 3.44Å; F166-V169 PolarHBondContact O-N 3.29Å; F166-H170 HydrophobicContact CE1-CB 4.37Å; F166-H170 WeakPolarHBondContact O-CB 3.35Å; F166-H170 PolarHBondContact O-N 2.85Å |
| 167 | K | 79.9 | Confident | 65.2 | Low | 166 Ų | 166 | 115.1 Ų | 115.1 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.1 | -37.8 | 174.6 | -70.2 | -176.9 | 179.4 | 178 | 0 | 113.9 | T165 K171 | T165-K167 PolarHBondContact O-N 2.98Å; K167-K171 WeakPolarHBondContact O-CB 3.34Å; K167-K171 VanDerWaalsContact O-CG 3.31Å; K167-K171 WeakPolarHBondContact O-CG 3.37Å; K167-K171 PolarHBondContact O-N 3.41Å |
| 168 | V | 78 | Confident | 67 | Low | 63 Ų | 63 | 110 Ų | 110 | 38% | 0.382 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.8 | -46.7 | 178.1 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | T165 F166 K171 S172 | T165-V168 WeakPolarHBondContact O-CA 3.19Å; T165-V168 WeakPolarHBondContact O-CB 3.42Å; T165-V168 PolarHBondContact O-N 3.37Å; F166-V168 PolarHBondContact O-N 3.44Å; V168-K171 PolarHBondContact O-N 3.27Å; V168-S172 PolarHBondContact O-N 2.98Å; V168-S172 PolarHBondContact O-OG 2.99Å |
| 169 | V | 79.6 | Confident | 68.7 | Low | 67 Ų | 67 | 108.2 Ų | 108.2 | 41% | 0.406 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -41.3 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | N164 T165 F166 S172 L173 | N164-V169 VanDerWaalsContact OD1-CG2 3.27Å; N164-V169 WeakPolarHBondContact OD1-CG2 3.23Å; T165-V169 PolarHBondContact O-N 3.05Å; F166-V169 PolarHBondContact O-N 3.29Å; V169-S172 WeakPolarHBondContact CA-OG 3.47Å; V169-S172 PolarHBondContact O-N 3.42Å; V169-S172 PolarHBondContact O-OG 3.38Å; V169-L173 WeakPolarHBondContact O-CB 3.45Å; V169-L173 PolarHBondContact O-N 3.24Å |
| 170 | H | 79.4 | Confident | 70.4 | Confident | 102 Ų | 102 | 109.1 Ų | 109.1 | 47% | 0.472 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.9 | -38.4 | 177.2 | -176.5 | -88.7 | 0 | 0 | 0 | 111.8 | F166 K174 | F166-H170 HydrophobicContact CE1-CB 4.37Å; F166-H170 WeakPolarHBondContact O-CB 3.35Å; F166-H170 PolarHBondContact O-N 2.85Å; H170-K174 WeakPolarHBondContact O-CB 3.44Å; H170-K174 PolarHBondContact O-N 3.06Å |
| 171 | K | 81.6 | Confident | 71.2 | Confident | 158 Ų | 158 | 106.9 Ų | 106.9 | 69% | 0.687 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.1 | -41.8 | 172.8 | -80.3 | -176.8 | 178.1 | -173 | 0 | 111.7 | K167 V168 K174 S175 | K167-K171 WeakPolarHBondContact O-CB 3.34Å; K167-K171 VanDerWaalsContact O-CG 3.31Å; K167-K171 WeakPolarHBondContact O-CG 3.37Å; K167-K171 PolarHBondContact O-N 3.41Å; V168-K171 PolarHBondContact O-N 3.27Å; K171-K174 PolarHBondContact O-N 3.34Å; K171-S175 PolarHBondContact O-N 3.47Å; K171-S175 PolarHBondContact O-OG 3.39Å |
| 172 | S | 78.9 | Confident | 72.1 | Confident | 64 Ų | 64 | 105.4 Ų | 105.4 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.6 | -39.4 | 177.7 | 69.2 | 0 | 0 | 0 | 0 | 112 | V168 V169 S175 A176 | V168-S172 PolarHBondContact O-N 2.98Å; V168-S172 PolarHBondContact O-OG 2.99Å; V169-S172 WeakPolarHBondContact CA-OG 3.47Å; V169-S172 PolarHBondContact O-N 3.42Å; V169-S172 PolarHBondContact O-OG 3.38Å; S172-S175 VanDerWaalsContact CA-OG 3.3Å; S172-S175 WeakPolarHBondContact CA-OG 3.32Å; S172-S175 PolarHBondContact O-N 3.1Å; S172-S175 PolarHBondContact O-OG 3.14Å; S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 3.38Å |
| 173 | L | 80.4 | Confident | 72.9 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 63% | 0.628 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.9 | -40.6 | 174.8 | -160.3 | 105 | 0 | 0 | 0 | 111.6 | V169 A176 K177 | V169-L173 WeakPolarHBondContact O-CB 3.45Å; V169-L173 PolarHBondContact O-N 3.24Å; L173-A176 PolarHBondContact O-N 3.23Å; L173-K177 WeakPolarHBondContact O-CB 3.25Å; L173-K177 PolarHBondContact O-N 3.35Å |
| 174 | K | 81.1 | Confident | 73.6 | Confident | 150 Ų | 150 | 105.3 Ų | 105.3 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -39.2 | 175.9 | -167.7 | 175.7 | -178.3 | 179.7 | 0 | 111.7 | H170 K171 A178 | H170-K174 WeakPolarHBondContact O-CB 3.44Å; H170-K174 PolarHBondContact O-N 3.06Å; K171-K174 PolarHBondContact O-N 3.34Å; K174-A178 PolarHBondContact O-N 3.31Å; K174-A178 VanDerWaalsContact O-N 3.08Å |
| 175 | S | 76.3 | Confident | 73.8 | Confident | 59 Ų | 59 | 104.9 Ų | 104.9 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.4 | -37.2 | 172.2 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | K171 S172 A178 N179 | K171-S175 PolarHBondContact O-N 3.47Å; K171-S175 PolarHBondContact O-OG 3.39Å; S172-S175 VanDerWaalsContact CA-OG 3.3Å; S172-S175 WeakPolarHBondContact CA-OG 3.32Å; S172-S175 PolarHBondContact O-N 3.1Å; S172-S175 PolarHBondContact O-OG 3.14Å; S175-A178 PolarHBondContact O-N 2.9Å; S175-N179 WeakPolarHBondContact O-CB 3.49Å; S175-N179 PolarHBondContact O-N 3.29Å; S175-N179 PolarHBondContact O-ND2 3.04Å; S175-N179 PolarHBondContact O-OD1 3.46Å |
| 176 | A | 75.4 | Confident | 73.7 | Confident | 56 Ų | 56 | 105.9 Ų | 105.9 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S172 L173 N179 I180 | S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 3.38Å; L173-A176 PolarHBondContact O-N 3.23Å; A176-N179 PolarHBondContact O-N 3.34Å; A176-I180 PolarHBondContact O-N 3.34Å |
| 177 | K | 72.3 | Confident | 73.4 | Confident | 163 Ų | 163 | 100.8 Ų | 100.8 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -39.6 | 173 | -174.5 | 176.5 | 179.2 | 177.4 | 0 | 112.2 | L173 N179 I180 | L173-K177 WeakPolarHBondContact O-CB 3.25Å; L173-K177 PolarHBondContact O-N 3.35Å; K177-N179 VanDerWaalsContact C-N 3.27Å; K177-N179 PolarHBondContact O-N 3.26Å; K177-I180 PolarHBondContact O-N 3.14Å |
| 178 | A | 73.7 | Confident | 73 | Confident | 80 Ų | 80 | 97.7 Ų | 97.7 | 66% | 0.661 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.6 | -23.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K174 S175 | K174-A178 PolarHBondContact O-N 3.31Å; K174-A178 VanDerWaalsContact O-N 3.08Å; S175-A178 PolarHBondContact O-N 2.9Å |
| 179 | N | 71.3 | Confident | 72.6 | Confident | 126 Ų | 126 | 97.6 Ų | 97.6 | 67% | 0.674 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.2 | 177.5 | -73 | -11.6 | 0 | 0 | 0 | 113.7 | S175 A176 K177 P181 | S175-N179 WeakPolarHBondContact O-CB 3.49Å; S175-N179 PolarHBondContact O-N 3.29Å; S175-N179 PolarHBondContact O-ND2 3.04Å; S175-N179 PolarHBondContact O-OD1 3.46Å; A176-N179 PolarHBondContact O-N 3.34Å; K177-N179 VanDerWaalsContact C-N 3.27Å; K177-N179 PolarHBondContact O-N 3.26Å; N179-P181 WeakPolarHBondContact O-CD 3.41Å |
| 180 | I | 68.7 | Low | 72.3 | Confident | 83 Ų | 83 | 100.7 Ų | 100.7 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | trans | -73 | 104.6 | 167.7 | -59.1 | 173.8 | 0 | 0 | 0 | 105.4 | A176 K177 D182 I187 | A176-I180 PolarHBondContact O-N 3.34Å; K177-I180 PolarHBondContact O-N 3.14Å; I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 PolarHBondContact O-N 3.12Å; I180-I187 HydrophobicContact CG2-CD1 4.28Å | ||
| 181 | P | 64.2 | Low | 72.1 | Confident | 118 Ų | 118 | 101.3 Ų | 101.3 | 77% | 0.766 | 54% | 0.538 | S | S | * | . | trans | -80 | -15.6 | -169 | 32.1 | -28.9 | 0 | 0 | 0 | 112.4 | N179 | N179-P181 WeakPolarHBondContact O-CD 3.41Š| ||
| 182 | D | 62.5 | Low | 71.5 | Confident | 62 Ų | 62 | 95.4 Ų | 95.4 | 33% | 0.332 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -102.2 | 127.8 | -174.4 | -65.9 | 0.1 | 0 | 0 | 0 | 108.3 | I180 L184 I187 K190 | I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 PolarHBondContact O-N 3.12Å; D182-L184 PolarHBondContact O-N 3.41Å; D182-L184 VanDerWaalsContact O-N 3.15Å; D182-I187 HydrophobicContact CB-CD1 3.97Å; D182-I187 HydrophobicContact CB-CG1 3.7Å; D182-K190 IonicContact OD2-NZ 3.9Å |
| 183 | N | 67 | Low | 71.1 | Confident | 97 Ų | 97 | 95.5 Ų | 95.5 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | trans | -47.9 | 127.1 | 168.8 | -172.3 | 7.6 | 0 | 0 | 0 | 107 | E185 E186 I187 | N183-E185 PolarHBondContact ND2-OE2 2.91Å; N183-E185 PolarHBondContact O-N 3.48Å; N183-E186 HydrophobicContact CB-CB 4.45Å; N183-E186 WeakPolarHBondContact O-CA 3.23Å; N183-E186 WeakPolarHBondContact O-CB 3.42Å; N183-E186 PolarHBondContact O-N 2.98Å; N183-I187 PolarHBondContact O-N 3.47Å | ||
| 184 | L | 67.9 | Low | 70.6 | Confident | 101 Ų | 101 | 95 Ų | 95 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -52.4 | -36.1 | -176 | -75.3 | 168.3 | 0 | 0 | 0 | 110.4 | D182 E186 I187 F188 | D182-L184 PolarHBondContact O-N 3.41Å; D182-L184 VanDerWaalsContact O-N 3.15Å; L184-E186 PolarHBondContact O-N 3.2Å; L184-I187 WeakPolarHBondContact O-CB 3.49Å; L184-I187 PolarHBondContact O-N 2.79Å; L184-I187 VanDerWaalsContact O-N 3.17Å; L184-F188 HydrophobicContact CB-CD2 4.3Å; L184-F188 HydrophobicContact CB-CE2 4.08Å; L184-F188 WeakPolarHBondContact O-CD2 3.35Å; L184-F188 PolarHBondContact O-N 3Å |
| 185 | E | 65.5 | Low | 70.2 | Confident | 127 Ų | 127 | 94 Ų | 94 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.5 | -42.7 | 173 | -73 | 155.6 | 175.1 | 0 | 0 | 112.8 | N183 I187 F188 S189 | N183-E185 PolarHBondContact ND2-OE2 2.91Å; N183-E185 PolarHBondContact O-N 3.48Å; E185-I187 VanDerWaalsContact C-N 3.34Å; E185-I187 PolarHBondContact O-N 2.89Å; E185-F188 PolarHBondContact O-N 3.26Å; E185-S189 PolarHBondContact O-N 3.31Å; E185-S189 PolarHBondContact O-OG 3.49Å |
| 186 | E | 69 | Low | 70.1 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 177.1 | -160.9 | -170.7 | 148.6 | 0 | 0 | 111.9 | N183 L184 S189 K190 | N183-E186 HydrophobicContact CB-CB 4.45Å; N183-E186 WeakPolarHBondContact O-CA 3.23Å; N183-E186 WeakPolarHBondContact O-CB 3.42Å; N183-E186 PolarHBondContact O-N 2.98Å; L184-E186 PolarHBondContact O-N 3.2Å; E186-S189 PolarHBondContact O-N 3.36Å; E186-K190 WeakPolarHBondContact O-CB 3.34Å; E186-K190 VanDerWaalsContact O-CG 3.32Å; E186-K190 WeakPolarHBondContact O-CG 3.5Å; E186-K190 PolarHBondContact O-N 3.39Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å; E186-K190 IonicContact OE1-NZ 3.61Å; E186-K190 PolarHBondContact OE1-NZ 2.75Å |
| 187 | I | 69.7 | Low | 69.9 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 30% | 0.297 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 171.9 | -56.7 | 177.6 | 0 | 0 | 0 | 109.8 | I180 D182 N183 L184 E185 K190 L191 | I180-I187 HydrophobicContact CG2-CD1 4.28Å; D182-I187 HydrophobicContact CB-CD1 3.97Å; D182-I187 HydrophobicContact CB-CG1 3.7Å; N183-I187 PolarHBondContact O-N 3.47Å; L184-I187 WeakPolarHBondContact O-CB 3.49Å; L184-I187 PolarHBondContact O-N 2.79Å; L184-I187 VanDerWaalsContact O-N 3.17Å; E185-I187 VanDerWaalsContact C-N 3.34Å; E185-I187 PolarHBondContact O-N 2.89Å; I187-K190 PolarHBondContact O-N 3.33Å; I187-L191 HydrophobicContact CG2-CD1 3.91Å; I187-L191 HydrophobicContact CG2-CG 4.41Å; I187-L191 WeakPolarHBondContact O-CB 3.45Å; I187-L191 VanDerWaalsContact O-CG 3.25Å; I187-L191 WeakPolarHBondContact O-CG 3.47Å; I187-L191 PolarHBondContact O-N 3.21Å |
| 188 | F | 69.7 | Low | 69.9 | Low | 102 Ų | 102 | 99.2 Ų | 99.2 | 45% | 0.447 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.8 | -75.2 | -65.7 | 0 | 0 | 0 | 112.2 | L184 E185 L191 G192 L193 | L184-F188 HydrophobicContact CB-CD2 4.3Å; L184-F188 HydrophobicContact CB-CE2 4.08Å; L184-F188 WeakPolarHBondContact O-CD2 3.35Å; L184-F188 PolarHBondContact O-N 3Å; E185-F188 PolarHBondContact O-N 3.26Å; F188-L191 PolarHBondContact O-N 2.84Å; F188-G192 PolarHBondContact O-N 3.22Å; F188-L193 HydrophobicContact CD1-CD1 3.57Å; F188-L193 HydrophobicContact CE1-CD1 4.02Å; F188-L193 PolarHBondContact O-N 3.07Å |
| 189 | S | 70.1 | Confident | 69.8 | Low | 61 Ų | 61 | 100.8 Ų | 100.8 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 174.5 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | E185 E186 L191 G192 E194 | E185-S189 PolarHBondContact O-N 3.31Å; E185-S189 PolarHBondContact O-OG 3.49Å; E186-S189 PolarHBondContact O-N 3.36Å; S189-L191 VanDerWaalsContact C-N 3.28Å; S189-L191 PolarHBondContact O-N 2.87Å; S189-G192 PolarHBondContact O-N 2.83Å; S189-G192 VanDerWaalsContact O-N 3.12Å; S189-E194 PolarHBondContact OG-OE1 2.83Å |
| 190 | K | 73.7 | Confident | 69.7 | Low | 131 Ų | 131 | 101.7 Ų | 101.7 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -32.3 | 174.3 | -79.2 | 173.4 | -172.5 | 159.5 | 0 | 112.8 | D182 E186 I187 G192 | D182-K190 IonicContact OD2-NZ 3.9Å; E186-K190 WeakPolarHBondContact O-CB 3.34Å; E186-K190 VanDerWaalsContact O-CG 3.32Å; E186-K190 WeakPolarHBondContact O-CG 3.5Å; E186-K190 PolarHBondContact O-N 3.39Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å; E186-K190 IonicContact OE1-NZ 3.61Å; E186-K190 PolarHBondContact OE1-NZ 2.75Å; I187-K190 PolarHBondContact O-N 3.33Å; K190-G192 VanDerWaalsContact C-N 3.26Å; K190-G192 PolarHBondContact O-N 2.92Å |
| 191 | L | 74.6 | Confident | 69.9 | Low | 115 Ų | 115 | 103.4 Ų | 103.4 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.6 | 177.1 | -71.4 | 170.6 | 0 | 0 | 0 | 113.4 | I187 F188 S189 L193 | I187-L191 HydrophobicContact CG2-CD1 3.91Å; I187-L191 HydrophobicContact CG2-CG 4.41Å; I187-L191 WeakPolarHBondContact O-CB 3.45Å; I187-L191 VanDerWaalsContact O-CG 3.25Å; I187-L191 WeakPolarHBondContact O-CG 3.47Å; I187-L191 PolarHBondContact O-N 3.21Å; F188-L191 PolarHBondContact O-N 2.84Å; S189-L191 VanDerWaalsContact C-N 3.28Å; S189-L191 PolarHBondContact O-N 2.87Å; L191-L193 HydrophobicContact CB-CD1 3.88Å; L191-L193 HydrophobicContact CB-CG 3.92Å; L191-L193 HydrophobicContact CD1-CD1 3.97Å; L191-L193 PolarHBondContact O-N 3.35Å |
| 192 | G | 68.9 | Low | 70.1 | Confident | 35 Ų | 35 | 102.6 Ų | 102.6 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 17.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F188 S189 K190 E194 Q195 W196 | F188-G192 PolarHBondContact O-N 3.22Å; S189-G192 PolarHBondContact O-N 2.83Å; S189-G192 VanDerWaalsContact O-N 3.12Å; K190-G192 VanDerWaalsContact C-N 3.26Å; K190-G192 PolarHBondContact O-N 2.92Å; G192-E194 VanDerWaalsContact C-N 3.26Å; G192-E194 PolarHBondContact O-N 2.98Å; G192-Q195 PolarHBondContact O-N 3.26Å; G192-Q195 VanDerWaalsContact O-N 3.14Å; G192-W196 PolarHBondContact O-N 3.28Å |
| 193 | L | 71.3 | Confident | 70.3 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -28.7 | -175.7 | -73.9 | 167.3 | 0 | 0 | 0 | 112 | F188 L191 Q195 W196 I197 | F188-L193 HydrophobicContact CD1-CD1 3.57Å; F188-L193 HydrophobicContact CE1-CD1 4.02Å; F188-L193 PolarHBondContact O-N 3.07Å; L191-L193 HydrophobicContact CB-CD1 3.88Å; L191-L193 HydrophobicContact CB-CG 3.92Å; L191-L193 HydrophobicContact CD1-CD1 3.97Å; L191-L193 PolarHBondContact O-N 3.35Å; L193-Q195 VanDerWaalsContact C-N 3.28Å; L193-Q195 PolarHBondContact O-N 3.36Å; L193-W196 PolarHBondContact O-N 3.13Å; L193-I197 WeakPolarHBondContact O-CD1 3.45Å; L193-I197 VanDerWaalsContact O-CG1 3.23Å; L193-I197 WeakPolarHBondContact O-CG1 3.41Å; L193-I197 PolarHBondContact O-N 3.45Å |
| 194 | E | 69.6 | Low | 69.6 | Low | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 173.1 | -70 | 167.1 | -152 | 0 | 0 | 112.6 | S189 G192 K198 | S189-E194 PolarHBondContact OG-OE1 2.83Å; G192-E194 VanDerWaalsContact C-N 3.26Å; G192-E194 PolarHBondContact O-N 2.98Å; E194-K198 PolarHBondContact O-N 3.08Å; E194-K198 VanDerWaalsContact O-N 3.1Å |
| 195 | Q | 72.2 | Confident | 69 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.6 | -39.5 | 178.3 | -170.5 | 157.8 | -6.3 | 0 | 0 | 111.1 | G192 L193 K198 E199 | G192-Q195 PolarHBondContact O-N 3.26Å; G192-Q195 VanDerWaalsContact O-N 3.14Å; L193-Q195 VanDerWaalsContact C-N 3.28Å; L193-Q195 PolarHBondContact O-N 3.36Å; Q195-K198 PolarHBondContact O-N 3.1Å; Q195-E199 WeakPolarHBondContact O-CG 3.31Å; Q195-E199 PolarHBondContact O-N 2.82Å |
| 196 | W | 74.8 | Confident | 68.2 | Low | 157 Ų | 157 | 109.8 Ų | 109.8 | 60% | 0.595 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 175 | -167.8 | 77.6 | 0 | 0 | 0 | 112.4 | G192 L193 E199 Y200 | G192-W196 PolarHBondContact O-N 3.28Å; L193-W196 PolarHBondContact O-N 3.13Å; W196-E199 PolarHBondContact O-N 3.37Å; W196-Y200 HydrophobicContact CH2-CD2 4.43Å; W196-Y200 WeakPolarHBondContact O-CB 3.29Å; W196-Y200 PolarHBondContact O-N 2.88Å |
| 197 | I | 70.9 | Confident | 67.3 | Low | 89 Ų | 89 | 109.7 Ų | 109.7 | 46% | 0.456 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.2 | -67.4 | 163.9 | 0 | 0 | 0 | 110.5 | L193 Y200 E201 | L193-I197 WeakPolarHBondContact O-CD1 3.45Å; L193-I197 VanDerWaalsContact O-CG1 3.23Å; L193-I197 WeakPolarHBondContact O-CG1 3.41Å; L193-I197 PolarHBondContact O-N 3.45Å; I197-Y200 PolarHBondContact O-N 2.9Å; I197-E201 WeakPolarHBondContact O-CG 2.97Å; I197-E201 PolarHBondContact O-N 3.37Å |
| 198 | K | 73.1 | Confident | 66.3 | Low | 142 Ų | 142 | 112.7 Ų | 112.7 | 62% | 0.617 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.9 | -43.2 | 174.9 | -83 | -177.1 | 178.9 | 176.7 | 0 | 113 | E194 Q195 Y200 E201 N202 | E194-K198 PolarHBondContact O-N 3.08Å; E194-K198 VanDerWaalsContact O-N 3.1Å; Q195-K198 PolarHBondContact O-N 3.1Å; K198-Y200 VanDerWaalsContact C-N 3.33Å; K198-E201 PolarHBondContact O-N 2.75Å; K198-N202 VanDerWaalsContact O-CB 3.3Å; K198-N202 WeakPolarHBondContact O-CB 3.41Å; K198-N202 PolarHBondContact O-N 3.47Å; K198-N202 PolarHBondContact O-ND2 2.85Å |
| 199 | E | 70.3 | Confident | 65 | Low | 113 Ų | 113 | 114.6 Ų | 114.6 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63 | -41.4 | 176.3 | -75.4 | 175.5 | -167.2 | 0 | 0 | 111.3 | Q195 W196 N202 A203 | Q195-E199 WeakPolarHBondContact O-CG 3.31Å; Q195-E199 PolarHBondContact O-N 2.82Å; W196-E199 PolarHBondContact O-N 3.37Å; E199-N202 PolarHBondContact O-N 3.03Å; E199-A203 WeakPolarHBondContact O-CB 3.26Å; E199-A203 PolarHBondContact O-N 3.15Å |
| 200 | Y | 71.1 | Confident | 63.4 | Low | 144 Ų | 144 | 120.2 Ų | 120.2 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.9 | -40.6 | 178 | -169.6 | -97.1 | 0 | 0 | 0 | 112.8 | W196 I197 K198 | W196-Y200 HydrophobicContact CH2-CD2 4.43Å; W196-Y200 WeakPolarHBondContact O-CB 3.29Å; W196-Y200 PolarHBondContact O-N 2.88Å; I197-Y200 PolarHBondContact O-N 2.9Å; K198-Y200 VanDerWaalsContact C-N 3.33Å |
| 201 | E | 71.6 | Confident | 61.7 | Low | 119 Ų | 119 | 121 Ų | 121 | 56% | 0.556 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.8 | -40.3 | 176 | -73.1 | -174.7 | 165.6 | 0 | 0 | 112.5 | I197 K198 R204 N205 | I197-E201 WeakPolarHBondContact O-CG 2.97Å; I197-E201 PolarHBondContact O-N 3.37Å; K198-E201 PolarHBondContact O-N 2.75Å; E201-R204 WeakPolarHBondContact O-CB 3.37Å; E201-R204 PolarHBondContact O-N 2.85Å; E201-R204 VanDerWaalsContact O-N 3.17Å; E201-N205 PolarHBondContact O-N 2.71Å |
| 202 | N | 69.3 | Low | 59.9 | Low | 102 Ų | 102 | 120.9 Ų | 120.9 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.9 | -40.4 | 178.3 | -74.4 | -18.9 | 0 | 0 | 0 | 112.5 | K198 E199 R204 N205 E206 | K198-N202 VanDerWaalsContact O-CB 3.3Å; K198-N202 WeakPolarHBondContact O-CB 3.41Å; K198-N202 PolarHBondContact O-N 3.47Å; K198-N202 PolarHBondContact O-ND2 2.85Å; E199-N202 PolarHBondContact O-N 3.03Å; N202-R204 PolarHBondContact O-N 3.4Å; N202-R204 VanDerWaalsContact O-N 3.15Å; N202-N205 PolarHBondContact O-N 3.35Å; N202-E206 PolarHBondContact O-N 3.37Å; N202-E206 VanDerWaalsContact O-N 3.08Å |
| 203 | A | 65.7 | Low | 59 | Low | 65 Ų | 65 | 123.8 Ų | 123.8 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.9 | -25.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E199 | E199-A203 WeakPolarHBondContact O-CB 3.26Å; E199-A203 PolarHBondContact O-N 3.15Å |
| 204 | R | 53.8 | Low | 57.5 | Low | 181 Ų | 181 | 128.5 Ų | 128.5 | 68% | 0.683 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.4 | -35.3 | 175.6 | -127.9 | 179.4 | -177.9 | -167.9 | 1.4 | 112.4 | E201 N202 S207 | E201-R204 WeakPolarHBondContact O-CB 3.37Å; E201-R204 PolarHBondContact O-N 2.85Å; E201-R204 VanDerWaalsContact O-N 3.17Å; N202-R204 PolarHBondContact O-N 3.4Å; N202-R204 VanDerWaalsContact O-N 3.15Å; R204-S207 PolarHBondContact O-OG 3.49Å |
| 205 | N | 53.5 | Low | 56.3 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.5 | -28.6 | -177.7 | -67.7 | -24.1 | 0 | 0 | 0 | 113.5 | E201 N202 S207 V208 | E201-N205 PolarHBondContact O-N 2.71Å; N202-N205 PolarHBondContact O-N 3.35Å; N205-S207 PolarHBondContact O-N 3.21Å; N205-V208 PolarHBondContact O-N 3.31Å |
| 206 | E | 49.4 | Very low | 55.1 | Low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -66.4 | -22.4 | 174.2 | -102.8 | 177.9 | 173.3 | 0 | 0 | 113.1 | N202 V208 | N202-E206 PolarHBondContact O-N 3.37Å; N202-E206 VanDerWaalsContact O-N 3.08Å; E206-V208 PolarHBondContact O-N 3.2Å |
| 207 | S | 50.2 | Low | 53.6 | Low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -79.6 | 6 | -179 | 69.8 | 0 | 0 | 0 | 0 | 115.5 | R204 N205 | R204-S207 PolarHBondContact O-OG 3.49Å; N205-S207 PolarHBondContact O-N 3.21Å |
| 208 | V | 47.9 | Very low | 52.4 | Low | 121 Ų | 121 | 130.6 Ų | 130.6 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -116 | 6.7 | -175 | -172.3 | 0 | 0 | 0 | 0 | 113.7 | N205 E206 | N205-V208 PolarHBondContact O-N 3.31Å; E206-V208 PolarHBondContact O-N 3.2Å |
| 209 | N | 42.5 | Very low | 51.2 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -128.1 | 66.9 | 176 | -164.3 | 23.7 | 0 | 0 | 0 | 113.4 | ||
| 210 | E | 37.6 | Very low | 50.1 | Low | 179 Ų | 179 | 126.7 Ų | 126.7 | 84% | 0.836 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -160.2 | 131.3 | 151.8 | -106.3 | 169.7 | -153 | 0 | 0 | 107.2 | ||
| 211 | N | 36.6 | Very low | 48.9 | Very low | 148 Ų | 148 | 123.4 Ų | 123.4 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | trans | 95.1 | 47.5 | -175.9 | -47.1 | -24.5 | 0 | 0 | 0 | 116.8 | S213 | N211-S213 PolarHBondContact O-N 3.01Š| ||
| 212 | S | 37.2 | Very low | 47.4 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | trans | -73.5 | 102.1 | 140.6 | 70 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 213 | S | 50.8 | Low | 46.3 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 167.2 | -16.1 | 131.3 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | N211 | N211-S213 PolarHBondContact O-N 3.01Š|
| 214 | E | 40.5 | Very low | 45.2 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -101.6 | -19.2 | -176.3 | -87.4 | 170.9 | 152.8 | 0 | 0 | 116.1 | ||
| 215 | D | 42.5 | Very low | 44.6 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.7 | -10.5 | 178.6 | -81.3 | -21.9 | 0 | 0 | 0 | 115.1 | H217 I218 I219 | D215-H217 VanDerWaalsContact C-N 3.3Å; D215-H217 PolarHBondContact O-N 2.99Å; D215-I218 PolarHBondContact O-N 2.99Å; D215-I219 WeakPolarHBondContact O-CG1 2.91Å; D215-I219 PolarHBondContact O-N 2.93Å |
| 216 | Q | 48.7 | Very low | 44.2 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 77% | 0.766 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.3 | -23.3 | 174.5 | -76.7 | -169 | -2.2 | 0 | 0 | 113.3 | S220 | Q216-S220 WeakPolarHBondContact O-CB 3.26Å; Q216-S220 PolarHBondContact O-N 3.06Å |
| 217 | H | 42.7 | Very low | 43.9 | Very low | 144 Ų | 144 | 116.2 Ų | 116.2 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.6 | -30.1 | 177.3 | -95.9 | -79.3 | 0 | 0 | 0 | 113.3 | D215 S221 | D215-H217 VanDerWaalsContact C-N 3.3Å; D215-H217 PolarHBondContact O-N 2.99Å; H217-S221 PolarHBondContact O-N 3.24Å; H217-S221 PolarHBondContact O-OG 2.85Å |
| 218 | I | 46.3 | Very low | 43.4 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.2 | -39.5 | 177.6 | -57.8 | 178.7 | 0 | 0 | 0 | 110.2 | D215 C222 | D215-I218 PolarHBondContact O-N 2.99Å; I218-C222 WeakPolarHBondContact O-CB 3.46Å; I218-C222 PolarHBondContact O-N 3.15Å; I218-C222 VanDerWaalsContact O-N 3.11Å |
| 219 | I | 47.2 | Very low | 43 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.7 | -37.2 | -179.9 | -58.7 | 174.2 | 0 | 0 | 0 | 111.7 | D215 S221 C222 S223 | D215-I219 WeakPolarHBondContact O-CG1 2.91Å; D215-I219 PolarHBondContact O-N 2.93Å; I219-S221 PolarHBondContact O-N 3.02Å; I219-C222 PolarHBondContact O-N 2.88Å; I219-S223 WeakPolarHBondContact O-CB 3.36Å; I219-S223 PolarHBondContact O-N 2.96Å |
| 220 | S | 46.8 | Very low | 42.8 | Very low | 55 Ų | 55 | 119.8 Ų | 119.8 | 39% | 0.385 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.7 | -31 | 178.1 | 92.9 | 0 | 0 | 0 | 0 | 113.1 | Q216 K224 | Q216-S220 WeakPolarHBondContact O-CB 3.26Å; Q216-S220 PolarHBondContact O-N 3.06Å; S220-K224 PolarHBondContact O-N 2.75Å |
| 221 | S | 46 | Very low | 43 | Very low | 74 Ų | 74 | 116.4 Ų | 116.4 | 52% | 0.517 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73 | -37.1 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | H217 I219 Q225 | H217-S221 PolarHBondContact O-N 3.24Å; H217-S221 PolarHBondContact O-OG 2.85Å; I219-S221 PolarHBondContact O-N 3.02Å; S221-Q225 PolarHBondContact O-N 3.45Å |
| 222 | C | 40 | Very low | 42.9 | Very low | 69 Ų | 69 | 117.2 Ų | 117.2 | 47% | 0.466 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.7 | -35 | 178.3 | -144.3 | 0 | 0 | 0 | 0 | 112.3 | I218 I219 Q225 I226 | I218-C222 WeakPolarHBondContact O-CB 3.46Å; I218-C222 PolarHBondContact O-N 3.15Å; I218-C222 VanDerWaalsContact O-N 3.11Å; I219-C222 PolarHBondContact O-N 2.88Å; C222-Q225 PolarHBondContact O-N 3.25Å; C222-I226 VanDerWaalsContact O-CG1 3.31Å; C222-I226 WeakPolarHBondContact O-CG1 3.32Å; C222-I226 PolarHBondContact O-N 2.78Å; C222-I226 VanDerWaalsContact O-N 3.12Å |
| 223 | S | 46.8 | Very low | 42.5 | Very low | 73 Ų | 73 | 116.4 Ų | 116.4 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.8 | -43.2 | 175.8 | -178 | 0 | 0 | 0 | 0 | 112.4 | I219 Q225 I226 T227 | I219-S223 WeakPolarHBondContact O-CB 3.36Å; I219-S223 PolarHBondContact O-N 2.96Å; S223-Q225 PolarHBondContact O-N 3.17Å; S223-I226 PolarHBondContact O-N 3.45Å; S223-T227 PolarHBondContact O-N 3.17Å; S223-T227 PolarHBondContact O-OG1 3.04Å |
| 224 | K | 42.6 | Very low | 41.5 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.6 | -35.5 | 178.1 | -70.3 | -179.1 | -177 | 177.8 | 0 | 113 | S220 T227 Q228 | S220-K224 PolarHBondContact O-N 2.75Å; K224-T227 WeakPolarHBondContact CA-OG1 2.94Å; K224-T227 PolarHBondContact O-OG1 2.87Å; K224-Q228 PolarHBondContact O-N 3.32Å |
| 225 | Q | 41.7 | Very low | 41.5 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 59% | 0.593 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.4 | -33.8 | 176.2 | -103.2 | -177.7 | 19.1 | 0 | 0 | 113.4 | S221 C222 S223 K229 | S221-Q225 PolarHBondContact O-N 3.45Å; C222-Q225 PolarHBondContact O-N 3.25Å; S223-Q225 PolarHBondContact O-N 3.17Å; Q225-K229 PolarHBondContact O-N 3.12Å |
| 226 | I | 43.3 | Very low | 40.8 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 51% | 0.513 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.1 | -40.4 | 176.7 | -66.4 | 165.4 | 0 | 0 | 0 | 110.3 | C222 S223 Q228 K229 L230 | C222-I226 VanDerWaalsContact O-CG1 3.31Å; C222-I226 WeakPolarHBondContact O-CG1 3.32Å; C222-I226 PolarHBondContact O-N 2.78Å; C222-I226 VanDerWaalsContact O-N 3.12Å; S223-I226 PolarHBondContact O-N 3.45Å; I226-Q228 PolarHBondContact O-N 3.38Å; I226-K229 PolarHBondContact O-N 3.5Å; I226-L230 HydrophobicContact CG2-CD1 4.03Å; I226-L230 PolarHBondContact O-N 3.48Å |
| 227 | T | 43.2 | Very low | 39.9 | Very low | 85 Ų | 85 | 117.3 Ų | 117.3 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.8 | -34.8 | 175.5 | 32 | 0 | 0 | 0 | 0 | 113.7 | S223 K224 L230 T231 | S223-T227 PolarHBondContact O-N 3.17Å; S223-T227 PolarHBondContact O-OG1 3.04Å; K224-T227 WeakPolarHBondContact CA-OG1 2.94Å; K224-T227 PolarHBondContact O-OG1 2.87Å; T227-L230 PolarHBondContact O-N 2.98Å; T227-T231 PolarHBondContact O-OG1 2.81Å |
| 228 | Q | 40.1 | Very low | 38.9 | Very low | 137 Ų | 137 | 117.3 Ų | 117.3 | 64% | 0.64 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.2 | -31.2 | 175.4 | -78.2 | -173.2 | -10.8 | 0 | 0 | 113 | K224 I226 L230 T231 | K224-Q228 PolarHBondContact O-N 3.32Å; I226-Q228 PolarHBondContact O-N 3.38Å; Q228-L230 VanDerWaalsContact C-N 3.28Å; Q228-L230 PolarHBondContact O-N 2.89Å; Q228-T231 PolarHBondContact O-OG1 3.36Å |
| 229 | K | 40.1 | Very low | 37.9 | Very low | 172 Ų | 172 | 114.8 Ų | 114.8 | 75% | 0.748 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.6 | -12.8 | 174.8 | -71.2 | -167.4 | -179.2 | -176.8 | 0 | 113.8 | Q225 I226 | Q225-K229 PolarHBondContact O-N 3.12Å; I226-K229 PolarHBondContact O-N 3.5Å |
| 230 | L | 38.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -85.1 | -16.3 | 174.2 | -91.9 | 152.6 | 0 | 0 | 0 | 113.9 | I226 T227 Q228 | I226-L230 HydrophobicContact CG2-CD1 4.03Å; I226-L230 PolarHBondContact O-N 3.48Å; T227-L230 PolarHBondContact O-N 2.98Å; Q228-L230 VanDerWaalsContact C-N 3.28Å; Q228-L230 PolarHBondContact O-N 2.89Å |
| 231 | T | 41 | Very low | 35.6 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 66% | 0.656 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -97.4 | 8.8 | 178.3 | 36.8 | 0 | 0 | 0 | 0 | 115.3 | T227 Q228 | T227-T231 PolarHBondContact O-OG1 2.81Å; Q228-T231 PolarHBondContact O-OG1 3.36Å |
| 232 | H | 34.1 | Very low | 34.5 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 76% | 0.764 | 66% | 0.66 | S | S | * | * | trans | -121.5 | 54.2 | 172.5 | -59.2 | -47.6 | 0 | 0 | 0 | 112.2 | ||||
| 233 | S | 29.5 | Very low | 33.6 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | trans | -118.4 | 87.9 | 157.9 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 234 | N | 29.9 | Very low | 32.8 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -66.9 | 119.8 | 156.9 | -174.2 | -11.6 | 0 | 0 | 0 | 106.9 | N236 | N234-N236 VanDerWaalsContact C-N 3.3Å; N234-N236 PolarHBondContact O-N 2.95Å | ||
| 235 | P | 40.7 | Very low | 31.8 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -85.1 | 72.8 | -170.3 | 34.7 | -34 | 0 | 0 | 0 | 109.6 | ||
| 236 | N | 27.7 | Very low | 31.1 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -157 | 144.1 | 164 | -89.3 | -37.6 | 0 | 0 | 0 | 110 | N234 | N234-N236 VanDerWaalsContact C-N 3.3Å; N234-N236 PolarHBondContact O-N 2.95Å | ||
| 237 | E | 28.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 78.9 | 64.4 | 168 | -58.4 | -155.6 | 102.6 | 0 | 0 | 117.7 | S239 | E237-S239 WeakPolarHBondContact CB-OG 3.45Å; E237-S239 VanDerWaalsContact CG-OG 3.29Å; E237-S239 WeakPolarHBondContact CG-OG 3.25Å; E237-S239 PolarHBondContact O-N 3.34Å; E237-S239 PolarHBondContact OE1-OG 3.41Å | ||
| 238 | C | 22.7 | Very low | 29.3 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 97% | 0.966 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 68.1 | 132.6 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 239 | S | 24.5 | Very low | 28.4 | Very low | 63 Ų | 63 | 142.8 Ų | 142.8 | 44% | 0.441 | 71% | 0.71 | S | S | . | * | trans | -106.1 | 96.9 | 178 | -61.3 | 0 | 0 | 0 | 0 | 109 | E237 | E237-S239 WeakPolarHBondContact CB-OG 3.45Å; E237-S239 VanDerWaalsContact CG-OG 3.29Å; E237-S239 WeakPolarHBondContact CG-OG 3.25Å; E237-S239 PolarHBondContact O-N 3.34Å; E237-S239 PolarHBondContact OE1-OG 3.41Å | ||
| 240 | L | 22.8 | Very low | 27.7 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | 51.3 | 124.6 | 128.7 | -69.7 | 165.8 | 0 | 0 | 0 | 119.3 | |||||
| 241 | K | 22.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | 90.4 | 128.6 | 123.8 | -80.8 | 170.7 | 176.9 | 160 | 0 | 118.8 | |||||
| 242 | K | 24 | Very low | 26.5 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | trans | 79.8 | 104.9 | 137 | -71.2 | 171.2 | 179.6 | -175.9 | 0 | 115 | ||||
| 243 | R | 21.6 | Very low | 26.4 | Very low | 223 Ų | 223 | 137.4 Ų | 137.4 | 84% | 0.842 | 68% | 0.681 | S | S | * | * | 74 | 112.1 | 78.4 | -167.1 | -172.9 | -148.9 | 179.5 | 6.6 | 109.6 | |||||
| 244 | L | 29 | Very low | 26.5 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | trans | 155.9 | 99.7 | 141.8 | -81.8 | 161.8 | 0 | 0 | 0 | 106.5 | ||||
| 245 | R | 22.1 | Very low | 26.4 | Very low | 211 Ų | 211 | 142.2 Ų | 142.2 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | 73.6 | 136.2 | 71.8 | -153.4 | -170 | -160.2 | 177.4 | 5.4 | 112.1 | |||||
| 246 | K | 25.7 | Very low | 25.9 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | 102 | 108.5 | 163.2 | -66.6 | -169.7 | 166.9 | -174.4 | 0 | 114.7 | ||||
| 247 | E | 23.7 | Very low | 25.8 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | 68.5 | 129.6 | 83 | -75.5 | 167.1 | -171.4 | 0 | 0 | 109 | |||||
| 248 | S | 25.4 | Very low | 25.8 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | cis | 173 | 176 | 17.8 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 249 | Y | 22 | Very low | 25.9 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | trans | 101.8 | 130.8 | 144.2 | -84.9 | -138 | 0 | 0 | 0 | 121.4 | K448 H449 | Y249-K448 HydrophobicContact CD1-CB 4.07Å; Y249-K448 HydrophobicContact CD1-CD 4.44Å; Y249-K448 HydrophobicContact CD1-CG 4.37Å; Y249-H449 WeakPolarHBondContact CB-CD2 3.43Å; Y249-H449 HydrophobicContact CD1-CB 3.65Å; Y249-H449 AromaticContact CD1-CD2 2.83Å; Y249-H449 WeakPolarHBondContact CD1-CD2 3.16Å; Y249-H449 AromaticContact CD1-CG 3.36Å; Y249-H449 AromaticContact CD1-NE2 3.59Å; Y249-H449 AromaticContact CD2-CD2 3.24Å; Y249-H449 WeakPolarHBondContact CD2-CD2 3.4Å; Y249-H449 AromaticContact CD2-CE1 3.86Å; Y249-H449 AromaticContact CD2-NE2 2.96Å; Y249-H449 WeakPolarHBondContact CD2-NE2 3.27Å; Y249-H449 HydrophobicContact CE1-CB 3.33Å; Y249-H449 AromaticContact CE1-CD2 3.06Å; Y249-H449 WeakPolarHBondContact CE1-CD2 3.42Å; Y249-H449 AromaticContact CE1-CG 3.1Å; Y249-H449 AromaticContact CE1-ND1 3.81Å; Y249-H449 AromaticContact CE1-NE2 3.7Å; Y249-H449 AromaticContact CE2-CD2 3.5Å; Y249-H449 AromaticContact CE2-CE1 3.58Å; Y249-H449 AromaticContact CE2-CG 3.98Å; Y249-H449 AromaticContact CE2-NE2 3.16Å; Y249-H449 WeakPolarHBondContact CE2-NE2 3.45Å; Y249-H449 AromaticContact CG-CD2 2.88Å; Y249-H449 AromaticContact CG-CG 3.86Å; Y249-H449 AromaticContact CG-NE2 3.19Å; Y249-H449 AromaticContact CZ-CD2 3.37Å; Y249-H449 AromaticContact CZ-CE1 3.64Å; Y249-H449 AromaticContact CZ-CG 3.41Å; Y249-H449 VanDerWaalsContact CZ-CG 3.41Å; Y249-H449 AromaticContact CZ-ND1 3.62Å; Y249-H449 AromaticContact CZ-NE2 3.46Å | ||
| 250 | E | 24.7 | Very low | 25.9 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 48% | 0.477 | 71% | 0.709 | S | S | . | * | trans | -51.8 | -176.5 | -174 | -75.7 | 178.2 | -178.5 | 0 | 0 | 121.2 | R447 K448 H449 | E250-R447 CarbonylContact O-C 2.92Å; E250-R447 WeakPolarHBondContact O-CA 3.47Å; E250-R447 PolarHBondContact O-N 3.24Å; E250-K448 WeakPolarHBondContact O-CA 3.43Å; E250-K448 PolarHBondContact O-N 3.4Å; E250-H449 WeakPolarHBondContact CB-CD2 3.44Å; E250-H449 VanDerWaalsContact CD-ND1 3.25Å; E250-H449 VanDerWaalsContact CG-CE1 3.48Å; E250-H449 WeakPolarHBondContact CG-CE1 3.23Å; E250-H449 WeakPolarHBondContact CG-NE2 3.29Å; E250-H449 PolarHBondContact N-CD2 3.49Å; E250-H449 VanDerWaalsContact N-CD2 3.3Å; E250-H449 PolarHBondContact N-NE2 2.93Å; E250-H449 IonicContact OE1-CE1 3.15Å; E250-H449 PolarHBondContact OE1-CE1 3.25Å; E250-H449 IonicContact OE1-ND1 3.53Å; E250-H449 IonicContact OE1-NE2 3.8Å; E250-H449 IonicContact OE2-CD2 3.7Å; E250-H449 IonicContact OE2-CE1 3.43Å; E250-H449 PolarHBondContact OE2-CE1 2.9Å; E250-H449 IonicContact OE2-CG 3.3Å; E250-H449 VanDerWaalsContact OE2-CG 3.3Å; E250-H449 IonicContact OE2-ND1 3.06Å; E250-H449 PolarHBondContact OE2-ND1 3.11Å; E250-H449 IonicContact OE2-NE2 3.85Å | ||
| 251 | E | 27.8 | Very low | 26.5 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 31% | 0.313 | 70% | 0.704 | S | S | . | * | 141.4 | 145.5 | 110.8 | -139.2 | 177.1 | -174.8 | 0 | 0 | 114.3 | R447 H449 T450 | E251-R447 WeakPolarHBondContact CB-O 3.43Å; E251-H449 VanDerWaalsContact CD-N 3.33Å; E251-H449 PolarHBondContact OE2-N 3.16Å; E251-T450 VanDerWaalsContact CD-N 3.3Å; E251-T450 PolarHBondContact OE1-N 3.49Å | |||
| 252 | D | 26.9 | Very low | 26.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | trans | -65.1 | 157.7 | -170.3 | -68.7 | -53.4 | 0 | 0 | 0 | 116.2 | ||||
| 253 | H | 31.4 | Very low | 26.9 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | 160.4 | 127 | 119.8 | -82.7 | -46.3 | 0 | 0 | 0 | 114.9 | |||||
| 254 | L | 32.9 | Very low | 27.4 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | 86.3 | 114.8 | 136.9 | -64.8 | 167 | 0 | 0 | 0 | 122.5 | G256 | L254-G256 PolarHBondContact O-N 3Š| ||
| 255 | Q | 27.1 | Very low | 27.1 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -47.9 | 116.9 | 150.6 | -169.9 | 78.8 | -3.3 | 0 | 0 | 112 | ||||
| 256 | G | 30.4 | Very low | 27.2 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | trans | -124.3 | 95.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L254 L258 | L254-G256 PolarHBondContact O-N 3Å; G256-L258 PolarHBondContact O-N 3.15Å | ||
| 257 | Q | 25.2 | Very low | 27.2 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | -66.4 | 108.9 | 169.5 | -163.9 | 176.4 | 30.2 | 0 | 0 | 108.1 | ||||
| 258 | L | 29.1 | Very low | 27.3 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | -108.2 | 101.2 | 167.9 | -78.6 | 173.9 | 0 | 0 | 0 | 109 | G256 S260 | G256-L258 PolarHBondContact O-N 3.15Å; L258-S260 PolarHBondContact O-N 3.25Å | ||
| 259 | V | 24.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 127.3 | 158.8 | 169.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 260 | S | 25.8 | Very low | 27.2 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 132.3 | 150.7 | -65.1 | 0 | 0 | 0 | 0 | 108.2 | L258 | L258-S260 PolarHBondContact O-N 3.25Š|
| 261 | P | 33.7 | Very low | 27 | Very low | 92 Ų | 92 | 134 Ų | 134 | 60% | 0.597 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 153.9 | -172.3 | 36.6 | -33.8 | 0 | 0 | 0 | 111.9 | ||
| 262 | N | 30.1 | Very low | 26.9 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -174.7 | 85.2 | 146.8 | -85.4 | -24.8 | 0 | 0 | 0 | 105 | ||||
| 263 | T | 25 | Very low | 26.7 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 48.9 | 92.9 | 89.4 | -44.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 264 | V | 32.8 | Very low | 26.2 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | -151.7 | 117.7 | 108.9 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 265 | E | 22.6 | Very low | 26 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 150.6 | 173.4 | -111.7 | -177.2 | 126.2 | 0 | 0 | 112.9 | ||||
| 266 | N | 25.2 | Very low | 25.8 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | trans | 69.4 | 142.9 | 141.8 | -60.7 | -29.2 | 0 | 0 | 0 | 118 | ||||
| 267 | Q | 25.1 | Very low | 25.8 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | cis | -172.8 | 159.4 | 0 | -109.4 | 171.9 | 51.8 | 0 | 0 | 106.5 | ||||
| 268 | S | 25.1 | Very low | 25.7 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 64.6 | 108.2 | 148.6 | 47.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 269 | K | 22.5 | Very low | 25.6 | Very low | 206 Ų | 206 | 131.7 Ų | 131.7 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | 33.4 | 113.2 | 123.5 | -66.3 | 175.6 | 178.2 | 176.3 | 0 | 118.4 | |||||
| 270 | S | 23.2 | Very low | 25.5 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 171.2 | 135.4 | 112.9 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 271 | C | 19.7 | Very low | 25.5 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -61.3 | 151.7 | 158.5 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 272 | P | 27.3 | Very low | 25.4 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -144.2 | 151.5 | 85.4 | 35.3 | -17.6 | 0 | 0 | 0 | 116.1 | |||||
| 273 | S | 21 | Very low | 25 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 40.8 | 130.9 | 130 | -50.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 274 | D | 21.4 | Very low | 25.1 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 64.2 | 102.4 | 135.2 | -59 | -27.2 | 0 | 0 | 0 | 119.6 | ||||
| 275 | S | 28.7 | Very low | 24.9 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | -150 | 120.8 | 125.1 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 276 | V | 22.3 | Very low | 24.9 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 128.6 | 169.6 | 170 | 0 | 0 | 0 | 0 | 110.1 | Q278 | V276-Q278 HydrophobicContact CG1-CG 4.17Š| ||
| 277 | K | 30.9 | Very low | 24.7 | Very low | 212 Ų | 212 | 140.9 Ų | 140.9 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -136.7 | 104 | 143.6 | -80 | -163.1 | 176.8 | 178.3 | 0 | 110.2 | ||||
| 278 | Q | 23 | Very low | 24.8 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 137.3 | 163.7 | -64.1 | -173.3 | -3.2 | 0 | 0 | 110 | V276 | V276-Q278 HydrophobicContact CG1-CG 4.17Š| ||
| 279 | G | 26.8 | Very low | 24.7 | Very low | 81 Ų | 81 | 143 Ų | 143 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -135.7 | 97.8 | 159 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 280 | K | 23.7 | Very low | 24.8 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -92.2 | 158.7 | 175.1 | -80.9 | -165.6 | 174.9 | -176.1 | 0 | 110.8 | ||||
| 281 | D | 26.3 | Very low | 25.1 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 81.6 | 132.3 | 158.7 | -50.2 | -35.2 | 0 | 0 | 0 | 115.3 | ||||
| 282 | K | 30.7 | Very low | 25.5 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | cis | -154 | 155.8 | 34 | -73.6 | -179.8 | 173 | 175.8 | 0 | 112.7 | ||||
| 283 | K | 22.7 | Very low | 25.5 | Very low | 197 Ų | 197 | 145.9 Ų | 145.9 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -83.2 | 142.9 | 168.4 | -72.7 | 173.9 | 172.4 | 177.4 | 0 | 112.5 | ||||
| 284 | T | 26.4 | Very low | 26 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | 37.4 | 135.1 | 137.9 | -27 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 285 | P | 28.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -139.8 | 145.3 | 75.7 | 28.2 | -5.9 | 0 | 0 | 0 | 114.7 | |||||
| 286 | L | 22.2 | Very low | 26.5 | Very low | 157 Ų | 157 | 149 Ų | 149 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | 78.8 | 118.1 | 80.2 | -133.3 | 104.3 | 0 | 0 | 0 | 116.6 | |||||
| 287 | S | 21.2 | Very low | 26.6 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 68.5 | 117 | 147.6 | -170.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 288 | S | 28.1 | Very low | 26.4 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | -170.9 | 124.1 | 111.7 | -71.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 289 | Q | 21.7 | Very low | 26.6 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -59.8 | 135.5 | 159 | -69.7 | 164.5 | -62.6 | 0 | 0 | 109.1 | ||||
| 290 | D | 25.1 | Very low | 26.6 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | -176.2 | 145.8 | 128.3 | -105.8 | -19.2 | 0 | 0 | 0 | 113.3 | |||||
| 291 | K | 29.5 | Very low | 26.9 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 84.5 | 84.9 | 162.8 | -66.8 | 171 | -177.5 | 179.6 | 0 | 119.1 | ||||
| 292 | L | 28.3 | Very low | 27.1 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | 37.3 | 125.7 | 108.9 | -72.8 | 160.7 | 0 | 0 | 0 | 119 | |||||
| 293 | N | 27.8 | Very low | 27.2 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 81.6 | 76.9 | 141.3 | -59.1 | -13.1 | 0 | 0 | 0 | 118.9 | ||||
| 294 | T | 30.4 | Very low | 27.7 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -154.9 | 121.9 | 131.9 | -18.3 | 0 | 0 | 0 | 0 | 108.1 | F296 | T294-F296 PolarHBondContact O-N 2.83Å; T294-F296 VanDerWaalsContact O-N 3.08Å | ||
| 295 | P | 33 | Very low | 28 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 115.9 | 169.7 | 26.5 | -28.9 | 0 | 0 | 0 | 106.8 | L297 | P295-L297 PolarHBondContact O-N 2.91Å; P295-L297 VanDerWaalsContact O-N 3.13Å | ||
| 296 | F | 28.3 | Very low | 28.2 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -48 | 119.5 | 174.8 | -85.9 | -98.2 | 0 | 0 | 0 | 109.8 | T294 L298 | T294-F296 PolarHBondContact O-N 2.83Å; T294-F296 VanDerWaalsContact O-N 3.08Å; F296-L298 VanDerWaalsContact C-N 3.3Å; F296-L298 HydrophobicContact CB-CD1 4.41Å; F296-L298 PolarHBondContact O-N 2.78Å | ||
| 297 | L | 24.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -58.5 | 96 | 154.5 | -83.4 | 159.5 | 0 | 0 | 0 | 107.2 | P295 T299 | P295-L297 PolarHBondContact O-N 2.91Å; P295-L297 VanDerWaalsContact O-N 3.13Å; L297-T299 PolarHBondContact O-N 3.37Å | ||
| 298 | L | 27.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -90 | 89.2 | 161 | -116.4 | 106 | 0 | 0 | 0 | 108 | F296 S300 | F296-L298 VanDerWaalsContact C-N 3.3Å; F296-L298 HydrophobicContact CB-CD1 4.41Å; F296-L298 PolarHBondContact O-N 2.78Å; L298-S300 PolarHBondContact O-N 3.25Å | ||
| 299 | T | 25.2 | Very low | 30.1 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -64.4 | 107.9 | 153 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | L297 | L297-T299 PolarHBondContact O-N 3.37Š| ||
| 300 | S | 28.5 | Very low | 31.3 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | trans | -169.4 | 125.9 | 145 | 43.6 | 0 | 0 | 0 | 0 | 108.8 | L298 D302 | L298-S300 PolarHBondContact O-N 3.25Å; S300-D302 VanDerWaalsContact C-N 3.27Å; S300-D302 PolarHBondContact O-N 2.94Å | ||
| 301 | N | 29.7 | Very low | 32.2 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | -52.1 | 85.8 | 170.7 | -74.8 | -37.8 | 0 | 0 | 0 | 111.1 | ||||
| 302 | D | 29.9 | Very low | 32.9 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -113.1 | 117.3 | 157.7 | -83.5 | -33.9 | 0 | 0 | 0 | 107.5 | S300 I304 | S300-D302 VanDerWaalsContact C-N 3.27Å; S300-D302 PolarHBondContact O-N 2.94Å; D302-I304 PolarHBondContact O-N 3Å | ||
| 303 | K | 32.7 | Very low | 33.9 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -45 | 105.9 | 173.3 | -72.6 | 167.8 | 177.5 | 174.3 | 0 | 108 | H305 | K303-H305 PolarHBondContact O-N 3.49Š| ||
| 304 | I | 34 | Very low | 34.6 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -64.3 | 87.8 | 166.4 | -58.8 | 172.4 | 0 | 0 | 0 | 104.9 | D302 H306 | D302-I304 PolarHBondContact O-N 3Å; I304-H306 PolarHBondContact O-N 3.2Å; I304-H306 VanDerWaalsContact O-N 3.11Å | ||
| 305 | H | 32.7 | Very low | 35.2 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | -59.3 | 115.4 | 160 | -79.6 | -79.7 | 0 | 0 | 0 | 105.1 | K303 Q307 | K303-H305 PolarHBondContact O-N 3.49Å; H305-Q307 PolarHBondContact O-N 3.22Å | ||
| 306 | H | 31.7 | Very low | 36.1 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | trans | -54 | 87.7 | 164.3 | -65.9 | -83.3 | 0 | 0 | 0 | 107.6 | I304 S308 | I304-H306 PolarHBondContact O-N 3.2Å; I304-H306 VanDerWaalsContact O-N 3.11Å; H306-S308 PolarHBondContact O-N 3.08Å | ||
| 307 | Q | 36 | Very low | 36.9 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | trans | -61 | 110.7 | 158.6 | -94.8 | -178.3 | -11.1 | 0 | 0 | 104.1 | H305 L309 | H305-Q307 PolarHBondContact O-N 3.22Å; Q307-L309 PolarHBondContact O-N 3.36Å | ||
| 308 | S | 37.4 | Very low | 37.7 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -32.7 | 112.3 | 164.1 | 47.7 | 0 | 0 | 0 | 0 | 108.8 | H306 D310 | H306-S308 PolarHBondContact O-N 3.08Å; S308-D310 PolarHBondContact O-N 2.94Å | ||
| 309 | L | 38.4 | Very low | 38.5 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 62% | 0.623 | 67% | 0.669 | S | S | * | * | trans | -55.6 | 110.9 | 175.8 | -75.7 | 165.5 | 0 | 0 | 0 | 107 | Q307 L311 L314 | Q307-L309 PolarHBondContact O-N 3.36Å; L309-L311 PolarHBondContact O-N 2.95Å; L309-L314 HydrophobicContact CB-CD1 4.07Å; L309-L314 HydrophobicContact CD1-CD1 4.14Å | ||
| 310 | D | 46.8 | Very low | 39.5 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 60% | 0.599 | 66% | 0.663 | S | S | * | * | trans | -55.9 | 138.8 | 173.8 | -154.8 | 0.4 | 0 | 0 | 0 | 107.6 | S308 L312 S313 | S308-D310 PolarHBondContact O-N 2.94Å; D310-L312 PolarHBondContact O-N 3.47Å; D310-S313 WeakPolarHBondContact O-CB 3.44Å; D310-S313 PolarHBondContact O-N 3.07Å | ||
| 311 | L | 44.7 | Very low | 40.3 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -52.4 | -26.3 | -170 | -81.3 | 160.2 | 0 | 0 | 0 | 113.4 | L309 S313 L314 D315 | L309-L311 PolarHBondContact O-N 2.95Å; L311-S313 VanDerWaalsContact C-N 3.33Å; L311-S313 PolarHBondContact O-N 3.02Å; L311-L314 PolarHBondContact O-N 3.27Å; L311-D315 PolarHBondContact O-N 2.76Å |
| 312 | L | 42.6 | Very low | 40.6 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.3 | -33.3 | 174.3 | -68.1 | 166.8 | 0 | 0 | 0 | 113.3 | D310 V316 | D310-L312 PolarHBondContact O-N 3.47Å; L312-V316 WeakPolarHBondContact O-CG2 3.46Å; L312-V316 PolarHBondContact O-N 3.03Å |
| 313 | S | 50.3 | Low | 40.9 | Very low | 54 Ų | 54 | 127.7 Ų | 127.7 | 38% | 0.378 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.6 | -32.4 | 176.8 | -57 | 0 | 0 | 0 | 0 | 111.7 | D310 L311 V316 F317 | D310-S313 WeakPolarHBondContact O-CB 3.44Å; D310-S313 PolarHBondContact O-N 3.07Å; L311-S313 VanDerWaalsContact C-N 3.33Å; L311-S313 PolarHBondContact O-N 3.02Å; S313-V316 PolarHBondContact O-N 2.86Å; S313-F317 WeakPolarHBondContact O-CB 3.02Å; S313-F317 PolarHBondContact O-N 2.81Å |
| 314 | L | 42.2 | Very low | 40.7 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 42% | 0.424 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.6 | -41.3 | 175.4 | -124.6 | 85.5 | 0 | 0 | 0 | 111.6 | L309 L311 V316 F317 N318 | L309-L314 HydrophobicContact CB-CD1 4.07Å; L309-L314 HydrophobicContact CD1-CD1 4.14Å; L311-L314 PolarHBondContact O-N 3.27Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.68Å; L314-F317 WeakPolarHBondContact O-CB 3.08Å; L314-F317 PolarHBondContact O-N 2.82Å; L314-N318 PolarHBondContact O-N 3.04Å; L314-N318 PolarHBondContact O-ND2 3.47Å |
| 315 | D | 42.1 | Very low | 40.5 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.6 | -34.7 | 177.2 | -110.7 | 9.8 | 0 | 0 | 0 | 112.2 | L311 R319 | L311-D315 PolarHBondContact O-N 2.76Å; D315-R319 WeakPolarHBondContact O-CB 3.09Å; D315-R319 WeakPolarHBondContact O-CG 3.37Å; D315-R319 PolarHBondContact O-N 3.15Å; D315-R319 VanDerWaalsContact O-N 3.12Å |
| 316 | V | 52.9 | Low | 40.1 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 52% | 0.521 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.6 | -39.7 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | L312 S313 L314 R319 L320 | L312-V316 WeakPolarHBondContact O-CG2 3.46Å; L312-V316 PolarHBondContact O-N 3.03Å; S313-V316 PolarHBondContact O-N 2.86Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.68Å; V316-R319 PolarHBondContact O-N 3.15Å; V316-L320 HydrophobicContact CG1-CD1 3.91Å; V316-L320 WeakPolarHBondContact O-CG 3.45Å; V316-L320 PolarHBondContact O-N 2.85Å |
| 317 | F | 43.9 | Very low | 40 | Very low | 132 Ų | 132 | 121 Ų | 121 | 58% | 0.579 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.1 | -43.8 | 177.3 | -136.1 | -89.8 | 0 | 0 | 0 | 112.1 | S313 L314 R319 L320 Q321 | S313-F317 WeakPolarHBondContact O-CB 3.02Å; S313-F317 PolarHBondContact O-N 2.81Å; L314-F317 WeakPolarHBondContact O-CB 3.08Å; L314-F317 PolarHBondContact O-N 2.82Å; F317-R319 VanDerWaalsContact C-N 3.34Å; F317-R319 PolarHBondContact O-N 3.07Å; F317-L320 PolarHBondContact O-N 2.68Å; F317-Q321 PolarHBondContact O-N 2.84Å; F317-Q321 VanDerWaalsContact O-N 3.14Å |
| 318 | N | 41.1 | Very low | 39.4 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 52% | 0.524 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65 | -36 | 176.7 | -73.2 | -25.2 | 0 | 0 | 0 | 112.2 | L314 G322 | L314-N318 PolarHBondContact O-N 3.04Å; L314-N318 PolarHBondContact O-ND2 3.47Å; N318-G322 PolarHBondContact O-N 2.82Å |
| 319 | R | 45.3 | Very low | 38.8 | Very low | 194 Ų | 194 | 120.5 Ų | 120.5 | 73% | 0.732 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.4 | -31.6 | 175.2 | -77.9 | 178.6 | 179.5 | -105.1 | 0.2 | 113.3 | D315 V316 F317 | D315-R319 WeakPolarHBondContact O-CB 3.09Å; D315-R319 WeakPolarHBondContact O-CG 3.37Å; D315-R319 PolarHBondContact O-N 3.15Å; D315-R319 VanDerWaalsContact O-N 3.12Å; V316-R319 PolarHBondContact O-N 3.15Å; F317-R319 VanDerWaalsContact C-N 3.34Å; F317-R319 PolarHBondContact O-N 3.07Å |
| 320 | L | 47.5 | Very low | 38.1 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 67% | 0.665 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.8 | -33.6 | 179.3 | -77.6 | 164.9 | 0 | 0 | 0 | 112.6 | V316 F317 | V316-L320 HydrophobicContact CG1-CD1 3.91Å; V316-L320 WeakPolarHBondContact O-CG 3.45Å; V316-L320 PolarHBondContact O-N 2.85Å; F317-L320 PolarHBondContact O-N 2.68Å |
| 321 | Q | 43.5 | Very low | 37.8 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.4 | -31 | 173.5 | -85 | -173.3 | -0.1 | 0 | 0 | 113.2 | F317 N323 | F317-Q321 PolarHBondContact O-N 2.84Å; F317-Q321 VanDerWaalsContact O-N 3.14Å; Q321-N323 VanDerWaalsContact C-N 3.26Å; Q321-N323 PolarHBondContact O-N 2.83Å |
| 322 | G | 37.9 | Very low | 36.7 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 62% | 0.619 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -14.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N318 | N318-G322 PolarHBondContact O-N 2.82Š|
| 323 | N | 35.7 | Very low | 35.8 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 55 | -175.2 | -68.8 | -14.2 | 0 | 0 | 0 | 112.1 | Q321 | Q321-N323 VanDerWaalsContact C-N 3.26Å; Q321-N323 PolarHBondContact O-N 2.83Å |
| 324 | S | 27.2 | Very low | 34.5 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 69% | 0.685 | S | S | * | * | trans | -132 | 58.1 | 169 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 325 | S | 30.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -109.3 | 95.9 | 155.6 | 67.6 | 0 | 0 | 0 | 0 | 109.3 | N327 | S325-N327 PolarHBondContact O-N 3.04Å; S325-N327 VanDerWaalsContact O-N 3.15Å | ||
| 326 | I | 25.2 | Very low | 32.8 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | -63.7 | 105.2 | 169.7 | -62.6 | 156 | 0 | 0 | 0 | 106.6 | ||||
| 327 | N | 29.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 134 Ų | 134 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | -120.2 | 110 | 154.6 | -101 | -21.2 | 0 | 0 | 0 | 108.8 | S325 | S325-N327 PolarHBondContact O-N 3.04Å; S325-N327 VanDerWaalsContact O-N 3.15Å | ||
| 328 | S | 22.8 | Very low | 30.6 | Very low | 83 Ų | 83 | 138.8 Ų | 138.8 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | trans | -74.7 | 149.5 | -176.3 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 329 | K | 24.3 | Very low | 30 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 70.7 | 135 | 158.8 | -62.3 | 168.3 | 178.3 | 177.2 | 0 | 114.4 | ||||
| 330 | S | 24.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -176.4 | 169.1 | 15 | 24.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 331 | P | 40 | Very low | 28 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -105.5 | 153.5 | -150.8 | 39.3 | -32.2 | 0 | 0 | 0 | 114.8 | ||||
| 332 | S | 22 | Very low | 26.9 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 175.4 | 150.1 | 153.6 | 102.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 333 | L | 22.9 | Very low | 26.3 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | cis | -170.7 | 148.9 | 5.7 | -114.3 | 152.4 | 0 | 0 | 0 | 104.7 | ||||
| 334 | V | 23.7 | Very low | 25.8 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | 77.5 | 104.3 | 141.2 | 179.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 335 | N | 27.1 | Very low | 25.7 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | -177 | 121 | 87.9 | -114.4 | -30.2 | 0 | 0 | 0 | 112.3 | |||||
| 336 | D | 21.8 | Very low | 25.6 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -67.9 | 128.5 | 162.4 | -81.6 | -52.3 | 0 | 0 | 0 | 111 | ||||
| 337 | K | 28.4 | Very low | 25.6 | Very low | 205 Ų | 205 | 153.6 Ų | 153.6 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -156.4 | 98.1 | 144.3 | -108.8 | 168.3 | -170.1 | -179.9 | 0 | 110 | ||||
| 338 | R | 22.6 | Very low | 25.5 | Very low | 232 Ų | 232 | 151.3 Ų | 151.3 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -1.4 | 114.1 | 152.8 | -60.3 | -179.7 | -176.2 | -172.8 | 0.5 | 115.5 | ||||
| 339 | F | 27.3 | Very low | 25.8 | Very low | 200 Ų | 200 | 154 Ų | 154 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | -151.6 | 95.8 | 129.6 | -101.3 | -77.6 | 0 | 0 | 0 | 108.4 | |||||
| 340 | S | 23.1 | Very low | 26.2 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -81.4 | 105.7 | 159.8 | -51.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 341 | Q | 27.2 | Very low | 26.4 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -143.5 | 116.4 | 155.1 | -143.6 | 167.5 | 18.6 | 0 | 0 | 109.6 | ||||
| 342 | I | 22.1 | Very low | 25.8 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -70.6 | 127.9 | 177.9 | -70.6 | 153.1 | 0 | 0 | 0 | 108.4 | ||||
| 343 | G | 23.7 | Very low | 26.4 | Very low | 69 Ų | 69 | 157.2 Ų | 157.2 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -169.4 | 74.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 344 | I | 26.7 | Very low | 26.7 | Very low | 145 Ų | 145 | 156.9 Ų | 156.9 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | 16.8 | 120.5 | 148.6 | -50.5 | 177.7 | 0 | 0 | 0 | 118.6 | ||||
| 345 | H | 24.4 | Very low | 27 | Very low | 183 Ų | 183 | 160.2 Ų | 160.2 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | 51.3 | 86.9 | 157 | -65.9 | -60.6 | 0 | 0 | 0 | 119.7 | ||||
| 346 | V | 28.3 | Very low | 27.3 | Very low | 142 Ų | 142 | 161.4 Ų | 161.4 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | -130.7 | 124.4 | 143.9 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 347 | R | 24.8 | Very low | 27.7 | Very low | 228 Ų | 228 | 162.8 Ų | 162.8 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130.7 | -179.9 | -169.3 | 178.1 | -167.7 | 167.2 | 3.1 | 110.5 | T349 | R347-T349 PolarHBondContact O-N 3.49Š|
| 348 | P | 27.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 163.3 Ų | 163.3 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 117.9 | -176.5 | 20.3 | -24.7 | 0 | 0 | 0 | 111.5 | V350 | P348-V350 PolarHBondContact O-N 3.46Š|
| 349 | T | 28.8 | Very low | 28 | Very low | 139 Ų | 139 | 158 Ų | 158 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 116.1 | 165.3 | -42.5 | 0 | 0 | 0 | 0 | 107.9 | R347 L351 | R347-T349 PolarHBondContact O-N 3.49Å; T349-L351 PolarHBondContact O-N 2.92Å |
| 350 | V | 33 | Very low | 28.1 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 121.4 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | P348 | P348-V350 PolarHBondContact O-N 3.46Š|
| 351 | L | 29.6 | Very low | 28.3 | Very low | 143 Ų | 143 | 159.9 Ų | 159.9 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 128.7 | 178.3 | -165.7 | 77.9 | 0 | 0 | 0 | 111 | T349 | T349-L351 PolarHBondContact O-N 2.92Š|
| 352 | E | 27.4 | Very low | 28.4 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 126.3 | 168.9 | -78.9 | -175.5 | 144.2 | 0 | 0 | 110.3 | ||
| 353 | N | 33.1 | Very low | 28.5 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | -116.8 | 103.5 | 170.4 | -87.6 | -16.6 | 0 | 0 | 0 | 110.6 | ||||
| 354 | N | 31.1 | Very low | 28.7 | Very low | 142 Ų | 142 | 161 Ų | 161 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | 11.9 | 129.3 | 149.6 | -60.3 | -39.6 | 0 | 0 | 0 | 121.3 | ||||
| 355 | H | 29.7 | Very low | 28.7 | Very low | 175 Ų | 175 | 160.1 Ų | 160.1 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -61.8 | 139.1 | 165.6 | -64.4 | -91.9 | 0 | 0 | 0 | 113.3 | ||||
| 356 | H | 33.2 | Very low | 28.9 | Very low | 176 Ų | 176 | 163.3 Ų | 163.3 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | trans | -114.5 | 102.7 | 155.6 | -73.8 | -59.6 | 0 | 0 | 0 | 108.7 | ||||
| 357 | E | 29.5 | Very low | 28.8 | Very low | 186 Ų | 186 | 162 Ų | 162 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 129.6 | 171 | -89.9 | 179.2 | 151.8 | 0 | 0 | 110.7 | ||
| 358 | Y | 25.7 | Very low | 29.1 | Very low | 215 Ų | 215 | 156 Ų | 156 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 131.4 | 169.8 | -74.3 | -89.4 | 0 | 0 | 0 | 110.4 | ||
| 359 | P | 31.5 | Very low | 29.7 | Very low | 122 Ų | 122 | 156 Ų | 156 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 122.6 | -178.3 | 26.8 | -31 | 0 | 0 | 0 | 113 | K361 | P359-K361 PolarHBondContact O-N 3.21Š|
| 360 | I | 30.2 | Very low | 29.9 | Very low | 167 Ų | 167 | 159 Ų | 159 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -80.5 | 107.8 | 174.1 | -57.7 | 169.9 | 0 | 0 | 0 | 108.8 | S362 | I360-S362 PolarHBondContact O-N 3.26Š| ||
| 361 | K | 27.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 157.7 Ų | 157.7 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -72.7 | 116.8 | 171.2 | -79.2 | 179.2 | 176.4 | 176.8 | 0 | 110 | P359 | P359-K361 PolarHBondContact O-N 3.21Š| ||
| 362 | S | 29.2 | Very low | 29.9 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -82 | 121.6 | 170.1 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | I360 | I360-S362 PolarHBondContact O-N 3.26Š| ||
| 363 | C | 24.2 | Very low | 30.2 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -97 | 85.1 | 174.4 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 364 | Y | 25.9 | Very low | 29.9 | Very low | 218 Ų | 218 | 154.7 Ų | 154.7 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -139.7 | 117 | 156.2 | -78.3 | -75.8 | 0 | 0 | 0 | 109.5 | R366 | Y364-R366 PolarHBondContact O-N 3.08Š| ||
| 365 | P | 27.9 | Very low | 29.9 | Very low | 127 Ų | 127 | 155.4 Ų | 155.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -71 | 118.4 | 178.9 | 25.6 | -29.1 | 0 | 0 | 0 | 110.9 | S367 | P365-S367 PolarHBondContact O-N 3.43Š| ||
| 366 | R | 27.8 | Very low | 30.1 | Very low | 249 Ų | 249 | 154.4 Ų | 154.4 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | -83.8 | 85.7 | -178.1 | -173.6 | -179.9 | -176.6 | 169.8 | 0.8 | 110.1 | Y364 | Y364-R366 PolarHBondContact O-N 3.08Š| ||
| 367 | S | 26.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -169 | 92.5 | 159.2 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | P365 | P365-S367 PolarHBondContact O-N 3.43Š| ||
| 368 | S | 31.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 153.7 Ų | 153.7 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -133.5 | 119.3 | 144.8 | 87.1 | 0 | 0 | 0 | 0 | 107.5 | K370 | S368-K370 PolarHBondContact O-N 3.35Š| ||
| 369 | S | 39.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 31.8 | -164.4 | 48.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 370 | K | 33.9 | Very low | 29.2 | Very low | 201 Ų | 201 | 151.6 Ų | 151.6 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 3.5 | 177.1 | -70 | -171.7 | 179.1 | -179 | 0 | 115.4 | S368 | S368-K370 PolarHBondContact O-N 3.35Š|
| 371 | C | 28.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -105.5 | 23.2 | 176.3 | -120.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 372 | S | 34.2 | Very low | 29.1 | Very low | 94 Ų | 94 | 148.7 Ų | 148.7 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 19.8 | -176 | 67 | 0 | 0 | 0 | 0 | 115.1 | ||
| 373 | K | 32.9 | Very low | 29.1 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -0.1 | 178.3 | -81.7 | -173.9 | 176.8 | -177.4 | 0 | 116.3 | ||
| 374 | C | 28 | Very low | 29.2 | Very low | 117 Ų | 117 | 155.6 Ų | 155.6 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -121 | 13 | -176.7 | -61.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 375 | L | 31.3 | Very low | 29.3 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -131.6 | 15.3 | 179 | -80.2 | 174 | 0 | 0 | 0 | 115.2 | ||
| 376 | N | 33.9 | Very low | 29.4 | Very low | 154 Ų | 154 | 154.7 Ų | 154.7 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -104.3 | 11.8 | 174.3 | -77.8 | -5.7 | 0 | 0 | 0 | 114.2 | ||
| 377 | E | 24.6 | Very low | 29.7 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -127.7 | 60.8 | 172.7 | -69.9 | -164.1 | 174.6 | 0 | 0 | 111.9 | ||||
| 378 | L | 27.5 | Very low | 30 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -139.4 | 132.6 | 147 | -79.7 | 177.9 | 0 | 0 | 0 | 108.2 | ||
| 379 | P | 25 | Very low | 30.1 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -71.1 | 137.4 | -163.9 | -10.3 | 25.8 | 0 | 0 | 0 | 111.5 | V381 | P379-V381 PolarHBondContact O-N 2.94Š| ||
| 380 | M | 23.7 | Very low | 29.6 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -53.9 | 102.3 | 163.3 | -76.6 | -172.7 | 62.7 | 0 | 0 | 109.7 | E382 | M380-E382 PolarHBondContact O-N 3.37Š| ||
| 381 | V | 29.2 | Very low | 29.5 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -87.5 | 104.8 | 151.4 | 179.8 | 0 | 0 | 0 | 0 | 106.5 | P379 | P379-V381 PolarHBondContact O-N 2.94Š| ||
| 382 | E | 26.9 | Very low | 29.6 | Very low | 157 Ų | 157 | 156.2 Ų | 156.2 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -46.7 | 142.9 | 176.1 | -164.5 | 169.3 | -172.5 | 0 | 0 | 113.4 | M380 Q384 | M380-E382 PolarHBondContact O-N 3.37Å; E382-Q384 PolarHBondContact O-N 3.32Å | ||
| 383 | K | 28.6 | Very low | 29.5 | Very low | 206 Ų | 206 | 159.1 Ų | 159.1 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -59.4 | 100.5 | 178.1 | -64.5 | 172.4 | 174.8 | 179.8 | 0 | 111.1 | ||||
| 384 | Q | 26 | Very low | 29.3 | Very low | 164 Ų | 164 | 156 Ų | 156 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -141.4 | 129.7 | 157 | -72.7 | -167.5 | -6.9 | 0 | 0 | 111.4 | E382 | E382-Q384 PolarHBondContact O-N 3.32Š| ||
| 385 | N | 29.2 | Very low | 29.4 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | trans | 82.6 | 61.6 | 165.3 | -50.4 | -32.1 | 0 | 0 | 0 | 117.6 | D387 | N385-D387 PolarHBondContact O-N 2.96Š| ||
| 386 | H | 29.9 | Very low | 29.1 | Very low | 199 Ų | 199 | 157.9 Ų | 157.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 6.3 | 162.6 | -106.6 | -76.5 | 0 | 0 | 0 | 114.6 | ||
| 387 | D | 33.9 | Very low | 29 | Very low | 164 Ų | 164 | 162.1 Ų | 162.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 3.4 | -176.9 | -86.8 | -19.9 | 0 | 0 | 0 | 116.1 | N385 | N385-D387 PolarHBondContact O-N 2.96Š|
| 388 | S | 32.8 | Very low | 29.3 | Very low | 93 Ų | 93 | 159.9 Ų | 159.9 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -117.1 | 4 | -172.2 | 57.3 | 0 | 0 | 0 | 0 | 117.6 | ||
| 389 | V | 33.2 | Very low | 29.6 | Very low | 133 Ų | 133 | 157.5 Ų | 157.5 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -116.9 | 2 | -177.4 | -170.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 390 | L | 29.3 | Very low | 30 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -124.3 | 47.9 | 174 | -80.1 | 165.3 | 0 | 0 | 0 | 113 | ||||
| 391 | K | 31.5 | Very low | 30.3 | Very low | 196 Ų | 196 | 155.3 Ų | 155.3 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -91 | 113.3 | 154.5 | -87.4 | -175.9 | 178.1 | 177.8 | 0 | 109.7 | N393 | K391-N393 PolarHBondContact O-N 2.88Š| ||
| 392 | Q | 30.4 | Very low | 30.3 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -54.4 | 123.7 | 177.8 | -65.6 | 166.3 | -11.2 | 0 | 0 | 111.3 | I394 | Q392-I394 VanDerWaalsContact C-N 3.29Å; Q392-I394 PolarHBondContact O-N 2.84Å | ||
| 393 | N | 30.8 | Very low | 30.4 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -72.5 | 86.2 | 164.1 | -73.3 | -32.3 | 0 | 0 | 0 | 109 | K391 I395 | K391-N393 PolarHBondContact O-N 2.88Å; N393-I395 VanDerWaalsContact C-N 3.32Å; N393-I395 PolarHBondContact O-N 3.26Å; N393-I395 VanDerWaalsContact O-N 3.07Å | ||
| 394 | I | 29.9 | Very low | 30.3 | Very low | 131 Ų | 131 | 158.6 Ų | 158.6 | 67% | 0.672 | 77% | 0.769 | S | S | * | * | trans | -69.9 | 93.6 | 162.4 | -61.2 | 171.9 | 0 | 0 | 0 | 106.5 | Q392 R396 | Q392-I394 VanDerWaalsContact C-N 3.29Å; Q392-I394 PolarHBondContact O-N 2.84Å; I394-R396 PolarHBondContact O-N 2.89Å | ||
| 395 | I | 29 | Very low | 30.6 | Very low | 127 Ų | 127 | 158.5 Ų | 158.5 | 65% | 0.651 | 77% | 0.772 | S | S | * | * | trans | -68.7 | 116.3 | 169.8 | -60 | 173.3 | 0 | 0 | 0 | 106.7 | N393 D399 | N393-I395 VanDerWaalsContact C-N 3.32Å; N393-I395 PolarHBondContact O-N 3.26Å; N393-I395 VanDerWaalsContact O-N 3.07Å; I395-D399 HydrophobicContact CG2-CB 4.25Å | ||
| 396 | R | 26.3 | Very low | 30.5 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | -78.7 | 148.1 | 178.9 | -66.8 | -180 | -173.7 | 160.2 | 2.5 | 108.4 | I394 N398 D399 | I394-R396 PolarHBondContact O-N 2.89Å; R396-N398 PolarHBondContact O-N 3.05Å; R396-D399 PolarHBondContact N-OD2 3.31Å; R396-D399 PolarHBondContact O-N 2.8Å | ||
| 397 | R | 31.9 | Very low | 30.6 | Very low | 242 Ų | 242 | 160.9 Ų | 160.9 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -14.8 | -179.9 | -100.3 | -177.9 | 176.8 | 158.7 | -1.2 | 115 | ||
| 398 | N | 30.7 | Very low | 30.4 | Very low | 140 Ų | 140 | 159.2 Ų | 159.2 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -9.4 | -178.2 | -60.4 | -0.9 | 0 | 0 | 0 | 113.2 | R396 I400 | R396-N398 PolarHBondContact O-N 3.05Å; N398-I400 VanDerWaalsContact C-N 3.32Å; N398-I400 PolarHBondContact O-N 3.31Å |
| 399 | D | 33.4 | Very low | 30.2 | Very low | 111 Ų | 111 | 163.8 Ų | 163.8 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -88.2 | 2.6 | -173.8 | -57.8 | -32.7 | 0 | 0 | 0 | 113.3 | I395 R396 | I395-D399 HydrophobicContact CG2-CB 4.25Å; R396-D399 PolarHBondContact N-OD2 3.31Å; R396-D399 PolarHBondContact O-N 2.8Å |
| 400 | I | 34.2 | Very low | 30.3 | Very low | 111 Ų | 111 | 167.8 Ų | 167.8 | 57% | 0.569 | 78% | 0.778 | S | S | * | * | trans | -110.7 | 87.4 | 176.5 | -49.5 | 174.1 | 0 | 0 | 0 | 108.1 | N398 F402 | N398-I400 VanDerWaalsContact C-N 3.32Å; N398-I400 PolarHBondContact O-N 3.31Å; I400-F402 HydrophobicContact CG2-CE2 4.48Å; I400-F402 PolarHBondContact O-N 2.84Å; I400-F402 VanDerWaalsContact O-N 3.15Å | ||
| 401 | N | 28.6 | Very low | 30.3 | Very low | 137 Ų | 137 | 169.1 Ų | 169.1 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -63.9 | 111 | 165.9 | -81.6 | -23.1 | 0 | 0 | 0 | 108.6 | D403 | N401-D403 PolarHBondContact O-N 3.46Š| ||
| 402 | F | 30.9 | Very low | 30.6 | Very low | 195 Ų | 195 | 163.2 Ų | 163.2 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -74.8 | 81.6 | 162.1 | -76 | -86 | 0 | 0 | 0 | 107.9 | I400 R404 | I400-F402 HydrophobicContact CG2-CE2 4.48Å; I400-F402 PolarHBondContact O-N 2.84Å; I400-F402 VanDerWaalsContact O-N 3.15Å; F402-R404 PolarHBondContact O-N 3.45Å; F402-R404 VanDerWaalsContact O-N 3.15Å | ||
| 403 | D | 28.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 157 Ų | 157 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -63.8 | 117.5 | 163.4 | -79.1 | -27 | 0 | 0 | 0 | 107.8 | N401 I405 | N401-D403 PolarHBondContact O-N 3.46Å; D403-I405 PolarHBondContact O-N 3.46Å | ||
| 404 | R | 25.5 | Very low | 31.1 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | -44.6 | 107 | 171.1 | -89.9 | 172.2 | 154.9 | -177.4 | -6.8 | 109.5 | F402 | F402-R404 PolarHBondContact O-N 3.45Å; F402-R404 VanDerWaalsContact O-N 3.15Å | ||
| 405 | I | 32.1 | Very low | 31.5 | Very low | 162 Ų | 162 | 156.5 Ų | 156.5 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | -87.4 | 112.8 | 161.7 | -60.8 | 175.4 | 0 | 0 | 0 | 106.5 | D403 | D403-I405 PolarHBondContact O-N 3.46Š| ||
| 406 | D | 27 | Very low | 31.8 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -51.6 | 134.4 | 174.6 | -93.4 | -37.3 | 0 | 0 | 0 | 111.6 | N408 | D406-N408 VanDerWaalsContact C-N 3.3Å; D406-N408 PolarHBondContact O-N 3.43Å | ||
| 407 | R | 33.2 | Very low | 32.1 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | trans | -75.9 | 78.5 | 174.5 | -70.5 | -178.5 | 175 | -172.8 | -2 | 109.8 | ||||
| 408 | N | 29.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | trans | -107.4 | 94.2 | 163.4 | -73.1 | -13 | 0 | 0 | 0 | 109.6 | D406 | D406-N408 VanDerWaalsContact C-N 3.3Å; D406-N408 PolarHBondContact O-N 3.43Å | ||
| 409 | E | 29.1 | Very low | 33.3 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | 18 | 100.6 | 144.4 | -61.7 | 174.4 | 172.9 | 0 | 0 | 117.7 | ||||
| 410 | Y | 34 | Very low | 33.2 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 85% | 0.847 | 69% | 0.69 | S | S | * | * | trans | -107.4 | 116 | 147.4 | -81.9 | -82.6 | 0 | 0 | 0 | 107.9 | V412 | Y410-V412 WeakPolarHBondContact O-CG2 3.5Å; Y410-V412 PolarHBondContact O-N 2.96Å | ||
| 411 | E | 29.7 | Very low | 33.4 | Very low | 201 Ų | 201 | 145.1 Ų | 145.1 | 94% | 0.939 | 69% | 0.689 | S | S | * | * | trans | -51.6 | 107.4 | 173.6 | -79.5 | -178.8 | 137.5 | 0 | 0 | 110.4 | G413 | E411-G413 PolarHBondContact O-N 3.07Š| ||
| 412 | V | 38.3 | Very low | 33.8 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 44% | 0.442 | 69% | 0.686 | S | S | . | * | trans | -78.9 | 104.5 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | Y410 S416 | Y410-V412 WeakPolarHBondContact O-CG2 3.5Å; Y410-V412 PolarHBondContact O-N 2.96Å; V412-S416 WeakPolarHBondContact CG1-OG 3.37Å | ||
| 413 | G | 29.1 | Very low | 34.3 | Very low | 35 Ų | 35 | 141.6 Ų | 141.6 | 36% | 0.361 | 67% | 0.666 | S | S | . | * | trans | -52.8 | 164.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E411 E415 S416 Q417 | E411-G413 PolarHBondContact O-N 3.07Å; G413-E415 PolarHBondContact O-N 3.43Å; G413-S416 PolarHBondContact O-N 3.29Å; G413-S416 PolarHBondContact O-OG 3.18Å; G413-Q417 PolarHBondContact O-N 3.31Å | ||
| 414 | P | 42.6 | Very low | 34.7 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.2 | -21.6 | -167 | 22.2 | -33 | 0 | 0 | 0 | 114.9 | ||
| 415 | E | 37.2 | Very low | 35.3 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.3 | -40.1 | 175 | -80.1 | -158.2 | 145 | 0 | 0 | 112.9 | G413 Q417 K418 | G413-E415 PolarHBondContact O-N 3.43Å; E415-Q417 VanDerWaalsContact C-N 3.34Å; E415-K418 PolarHBondContact O-N 2.84Å |
| 416 | S | 35.3 | Very low | 35.4 | Very low | 41 Ų | 41 | 127.7 Ų | 127.7 | 29% | 0.287 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -75.9 | -23.4 | 178.1 | 29.4 | 0 | 0 | 0 | 0 | 112 | V412 G413 K418 I419 H420 | V412-S416 WeakPolarHBondContact CG1-OG 3.37Å; G413-S416 PolarHBondContact O-N 3.29Å; G413-S416 PolarHBondContact O-OG 3.18Å; S416-K418 VanDerWaalsContact C-N 3.27Å; S416-K418 PolarHBondContact O-N 3.46Å; S416-I419 PolarHBondContact O-N 3.48Å; S416-H420 WeakPolarHBondContact O-CB 3.15Å; S416-H420 PolarHBondContact O-CD2 3.14Å; S416-H420 PolarHBondContact O-N 2.98Å |
| 417 | Q | 33.9 | Very low | 36 | Very low | 126 Ų | 126 | 125 Ų | 125 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.7 | -32.1 | 167.6 | -104.8 | -179 | 7.3 | 0 | 0 | 113.4 | G413 E415 R421 | G413-Q417 PolarHBondContact O-N 3.31Å; E415-Q417 VanDerWaalsContact C-N 3.34Å; Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.24Å |
| 418 | K | 42.5 | Very low | 35.9 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 68% | 0.683 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.8 | -39.1 | 174.9 | -76.6 | 180 | -178.5 | 169.8 | 0 | 111.9 | E415 S416 W422 | E415-K418 PolarHBondContact O-N 2.84Å; S416-K418 VanDerWaalsContact C-N 3.27Å; S416-K418 PolarHBondContact O-N 3.46Å; K418-W422 WeakPolarHBondContact O-CB 3.44Å; K418-W422 PolarHBondContact O-N 2.98Å; K418-W422 VanDerWaalsContact O-N 3.09Å |
| 419 | I | 44.3 | Very low | 36.1 | Very low | 107 Ų | 107 | 123 Ų | 123 | 55% | 0.549 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.7 | -43.7 | 179.3 | -55.5 | 173.8 | 0 | 0 | 0 | 109.7 | S416 W422 L423 | S416-I419 PolarHBondContact O-N 3.48Å; I419-W422 PolarHBondContact O-N 3.06Å; I419-L423 HydrophobicContact CG2-CD1 4.15Å; I419-L423 PolarHBondContact O-N 3.34Å |
| 420 | H | 32.2 | Very low | 36.2 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 46% | 0.458 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.7 | -39.9 | 175.8 | -78.2 | -69.7 | 0 | 0 | 0 | 112.3 | S416 W422 L423 D424 | S416-H420 WeakPolarHBondContact O-CB 3.15Å; S416-H420 PolarHBondContact O-CD2 3.14Å; S416-H420 PolarHBondContact O-N 2.98Å; H420-W422 VanDerWaalsContact C-N 3.29Å; H420-W422 PolarHBondContact O-N 3.06Å; H420-L423 PolarHBondContact O-N 3.21Å; H420-D424 VanDerWaalsContact O-CB 3.23Å; H420-D424 WeakPolarHBondContact O-CB 3.46Å; H420-D424 PolarHBondContact O-N 3.16Å |
| 421 | R | 38.6 | Very low | 35.9 | Very low | 148 Ų | 148 | 115.9 Ų | 115.9 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.9 | -36.6 | 171.7 | -91.7 | -171.5 | 61.6 | -113.6 | -3.5 | 112.7 | Q417 E425 | Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.24Å; R421-E425 IonicContact CZ-OE1 2.66Å; R421-E425 IonicContact NE-OE1 3.9Å; R421-E425 PolarHBondContact NE-OE1 3.48Å; R421-E425 IonicContact NH2-OE1 3.48Å; R421-E425 PolarHBondContact NH2-OE1 3.44Å; R421-E425 IonicContact NH2-OE2 3.39Å; R421-E425 WeakPolarHBondContact O-CB 3.43Å; R421-E425 WeakPolarHBondContact O-CG 3.07Å; R421-E425 PolarHBondContact O-N 3.43Å |
| 422 | W | 36.5 | Very low | 35.7 | Very low | 172 Ų | 172 | 109.7 Ų | 109.7 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.3 | -35.7 | 178.9 | -163.2 | 80.2 | 0 | 0 | 0 | 112.5 | K418 I419 H420 N426 | K418-W422 WeakPolarHBondContact O-CB 3.44Å; K418-W422 PolarHBondContact O-N 2.98Å; K418-W422 VanDerWaalsContact O-N 3.09Å; I419-W422 PolarHBondContact O-N 3.06Å; H420-W422 VanDerWaalsContact C-N 3.29Å; H420-W422 PolarHBondContact O-N 3.06Å; W422-N426 PolarHBondContact O-N 2.96Å; W422-N426 PolarHBondContact O-ND2 2.89Å |
| 423 | L | 40.4 | Very low | 35.3 | Very low | 86 Ų | 86 | 114.7 Ų | 114.7 | 45% | 0.45 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.3 | -40.4 | 173.7 | -72.8 | 171.1 | 0 | 0 | 0 | 112 | I419 H420 N426 T427 | I419-L423 HydrophobicContact CG2-CD1 4.15Å; I419-L423 PolarHBondContact O-N 3.34Å; H420-L423 PolarHBondContact O-N 3.21Å; L423-N426 CarbonylContact O-C 3.6Å; L423-N426 PolarHBondContact O-N 3.14Å; L423-T427 WeakPolarHBondContact O-CB 3.46Å; L423-T427 PolarHBondContact O-N 3.5Å; L423-T427 PolarHBondContact O-OG1 2.94Å |
| 424 | D | 37.3 | Very low | 35.1 | Very low | 77 Ų | 77 | 125 Ų | 125 | 41% | 0.412 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.4 | -43.7 | 176 | -82.7 | -5.8 | 0 | 0 | 0 | 111.1 | H420 N426 T427 Y428 | H420-D424 VanDerWaalsContact O-CB 3.23Å; H420-D424 WeakPolarHBondContact O-CB 3.46Å; H420-D424 PolarHBondContact O-N 3.16Å; D424-N426 PolarHBondContact O-N 2.75Å; D424-N426 VanDerWaalsContact O-N 3.17Å; D424-T427 PolarHBondContact O-N 2.77Å; D424-Y428 HydrophobicContact CB-CD2 4Å; D424-Y428 HydrophobicContact CB-CE2 3.95Å; D424-Y428 WeakPolarHBondContact O-CD2 3.36Å; D424-Y428 PolarHBondContact O-N 3.17Å |
| 425 | E | 38.2 | Very low | 34.5 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 45% | 0.453 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.8 | -29.2 | 175.6 | -78.6 | 174.5 | -176.3 | 0 | 0 | 112.1 | R421 L429 | R421-E425 IonicContact CZ-OE1 2.66Å; R421-E425 IonicContact NE-OE1 3.9Å; R421-E425 PolarHBondContact NE-OE1 3.48Å; R421-E425 IonicContact NH2-OE1 3.48Å; R421-E425 PolarHBondContact NH2-OE1 3.44Å; R421-E425 IonicContact NH2-OE2 3.39Å; R421-E425 WeakPolarHBondContact O-CB 3.43Å; R421-E425 WeakPolarHBondContact O-CG 3.07Å; R421-E425 PolarHBondContact O-N 3.43Å; E425-L429 WeakPolarHBondContact O-CD1 3.31Å |
| 426 | N | 34.5 | Very low | 34.2 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 40% | 0.401 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -84.2 | -24.6 | 172.9 | -73.5 | -37.8 | 0 | 0 | 0 | 113.6 | W422 L423 D424 | W422-N426 PolarHBondContact O-N 2.96Å; W422-N426 PolarHBondContact O-ND2 2.89Å; L423-N426 CarbonylContact O-C 3.6Å; L423-N426 PolarHBondContact O-N 3.14Å; D424-N426 PolarHBondContact O-N 2.75Å; D424-N426 VanDerWaalsContact O-N 3.17Å |
| 427 | T | 39.6 | Very low | 34 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -86.6 | -35.5 | 180 | -47.4 | 0 | 0 | 0 | 0 | 112 | L423 D424 L429 M430 | L423-T427 WeakPolarHBondContact O-CB 3.46Å; L423-T427 PolarHBondContact O-N 3.5Å; L423-T427 PolarHBondContact O-OG1 2.94Å; D424-T427 PolarHBondContact O-N 2.77Å; T427-L429 PolarHBondContact O-N 2.81Å; T427-M430 PolarHBondContact O-N 3.25Å |
| 428 | Y | 31 | Very low | 34 | Very low | 183 Ų | 183 | 120.8 Ų | 120.8 | 72% | 0.718 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -19.8 | 172.3 | -80.9 | -74.1 | 0 | 0 | 0 | 112.8 | D424 M430 | D424-Y428 HydrophobicContact CB-CD2 4Å; D424-Y428 HydrophobicContact CB-CE2 3.95Å; D424-Y428 WeakPolarHBondContact O-CD2 3.36Å; D424-Y428 PolarHBondContact O-N 3.17Å; Y428-M430 VanDerWaalsContact C-N 3.29Å |
| 429 | L | 35.1 | Very low | 33.2 | Very low | 144 Ų | 144 | 115.6 Ų | 115.6 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -14.3 | 171.2 | -79 | 166.5 | 0 | 0 | 0 | 113.7 | E425 T427 | E425-L429 WeakPolarHBondContact O-CD1 3.31Å; T427-L429 PolarHBondContact O-N 2.81Å |
| 430 | M | 31.1 | Very low | 32.5 | Very low | 172 Ų | 172 | 118.4 Ų | 118.4 | 85% | 0.847 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -111 | 2.2 | -174.2 | -89.5 | -74.6 | 165.7 | 0 | 0 | 115.2 | T427 Y428 | T427-M430 PolarHBondContact O-N 3.25Å; Y428-M430 VanDerWaalsContact C-N 3.29Å |
| 431 | S | 27.1 | Very low | 32.3 | Very low | 83 Ų | 83 | 119.4 Ų | 119.4 | 58% | 0.58 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -138.7 | 88.5 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 432 | G | 25.5 | Very low | 31.9 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | trans | 72 | 104.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | R434 | G432-R434 PolarHBondContact O-N 2.62Š| ||
| 433 | L | 29 | Very low | 31.4 | Very low | 179 Ų | 179 | 114.6 Ų | 114.6 | 94% | 0.937 | 63% | 0.626 | S | S | * | * | 28.9 | 87.7 | 125.8 | -67.5 | 165.3 | 0 | 0 | 0 | 116.7 | |||||
| 434 | R | 25.6 | Very low | 30.8 | Very low | 250 Ų | 250 | 118.5 Ų | 118.5 | 94% | 0.943 | 64% | 0.64 | S | S | * | * | -172.6 | 96.9 | 126.6 | -105.2 | -177.2 | 175.9 | -162.7 | -0.5 | 109.2 | G432 | G432-R434 PolarHBondContact O-N 2.62Š| |||
| 435 | Q | 30 | Very low | 30.3 | Very low | 167 Ų | 167 | 121.2 Ų | 121.2 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | trans | -117.5 | 135.1 | 165.7 | -85.1 | -171.9 | -28.8 | 0 | 0 | 109.7 | ||||
| 436 | P | 31.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | trans | -105 | 127.2 | 178 | 35.7 | -26.5 | 0 | 0 | 0 | 114.4 | E462 | P436-E462 VanDerWaalsContact C-CB 3.5Å; P436-E462 VanDerWaalsContact C-CG 3.46Å; P436-E462 VanDerWaalsContact O-CG 3.27Å; P436-E462 WeakPolarHBondContact O-CG 3.47Å | ||
| 437 | A | 30.7 | Very low | 29.2 | Very low | 30 Ų | 30 | 131.6 Ų | 131.6 | 25% | 0.248 | 69% | 0.688 | C | S | . | * | trans | 81.2 | 0 | 131.2 | 0 | 0 | 0 | 0 | 0 | 129.6 | V460 N461 E462 | A437-V460 CarbonylContact O-C 3.26Å; A437-V460 VanDerWaalsContact O-C 3.26Å; A437-V460 WeakPolarHBondContact O-CA 3.48Å; A437-V460 PolarHBondContact O-N 3.5Å; A437-N461 PolarHBondContact O-N 3.21Å; A437-E462 VanDerWaalsContact N-CG 3.31Å | ||
| 438 | L | 33.6 | Very low | 28.7 | Very low | 54 Ų | 54 | 134.2 Ų | 134.2 | 28% | 0.283 | 69% | 0.693 | S | S | . | * | 0 | 140.6 | 0 | -48.2 | 126 | 0 | 0 | 0 | 122.5 | V460 N461 E462 E464 N465 | L438-V460 CarbonylContact C-O 2.82Å; L438-V460 CarbonylContact O-C 3.37Å; L438-N461 VanDerWaalsContact C-C 3.41Å; L438-N461 CarbonylContact C-O 3Å; L438-N461 VanDerWaalsContact CA-O 3.3Å; L438-N461 WeakPolarHBondContact CA-O 3.4Å; L438-N461 WeakPolarHBondContact CB-O 3.27Å; L438-N461 VanDerWaalsContact CD1-O 3.27Å; L438-N461 WeakPolarHBondContact CD1-O 3.43Å; L438-N461 PolarHBondContact N-O 3.09Å; L438-N461 CarbonylContact O-C 2.94Å; L438-N461 WeakPolarHBondContact O-CA 3.3Å; L438-N461 WeakPolarHBondContact O-CB 3.37Å; L438-N461 PolarHBondContact O-N 3.32Å; L438-E462 VanDerWaalsContact CG-CA 3.41Å; L438-E462 HydrophobicContact CG-CB 4.31Å; L438-E464 HydrophobicContact CD1-CB 3.98Å; L438-N465 HydrophobicContact CD1-CB 4.34Å; L438-N465 HydrophobicContact CD2-CB 4.21Å | |||
| 439 | G | 26.1 | Very low | 28.5 | Very low | 49 Ų | 49 | 127.7 Ų | 127.7 | 51% | 0.505 | 67% | 0.669 | S | S | . | * | trans | -178.4 | 146.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108 | V460 | G439-V460 WeakPolarHBondContact CA-O 3.41Å; G439-V460 PolarHBondContact N-O 3.45Å | ||
| 440 | D | 29.3 | Very low | 28 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 88% | 0.882 | 67% | 0.667 | S | S | * | * | cis | -158.3 | 155.8 | 14.2 | -102 | -38.1 | 0 | 0 | 0 | 110 | ||||
| 441 | T | 28.3 | Very low | 27.8 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | trans | -66.6 | 157.9 | 167.8 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 442 | C | 28.5 | Very low | 27.7 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | 174.7 | 142.5 | 82.9 | -132.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 443 | N | 27.9 | Very low | 27.7 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | trans | 60.9 | 115.9 | 136.1 | -79.8 | -30 | 0 | 0 | 0 | 126 | ||||
| 444 | K | 27.4 | Very low | 27.6 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 74% | 0.735 | 66% | 0.661 | S | S | * | * | 59.8 | 118.9 | 117.4 | -64.4 | 178 | -174.6 | 174.3 | 0 | 121.8 | |||||
| 445 | N | 25.4 | Very low | 27.7 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | trans | 103.2 | 106.7 | 135.9 | -66 | -26.4 | 0 | 0 | 0 | 119.9 | ||||
| 446 | K | 26.1 | Very low | 27.6 | Very low | 183 Ų | 183 | 125.3 Ų | 125.3 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | trans | 88.5 | 96.4 | 140.5 | -61.9 | 173.3 | -178.7 | 178.7 | 0 | 118.8 | ||||
| 447 | R | 25.3 | Very low | 27.7 | Very low | 206 Ų | 206 | 126.7 Ų | 126.7 | 78% | 0.777 | 66% | 0.664 | S | S | * | * | 134.8 | 110.8 | 115.3 | -89.5 | -179.2 | 162.2 | 162 | -5.4 | 114.4 | E250 E251 | E250-R447 CarbonylContact O-C 2.92Å; E250-R447 WeakPolarHBondContact O-CA 3.47Å; E250-R447 PolarHBondContact O-N 3.24Å; E251-R447 WeakPolarHBondContact CB-O 3.43Å | |||
| 448 | K | 28.2 | Very low | 27.5 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 60% | 0.596 | 69% | 0.691 | S | S | * | * | trans | 35.7 | 92.7 | 148.2 | -57.2 | -158.9 | 166.3 | 178.9 | 0 | 121.9 | Y249 E250 | Y249-K448 HydrophobicContact CD1-CB 4.07Å; Y249-K448 HydrophobicContact CD1-CD 4.44Å; Y249-K448 HydrophobicContact CD1-CG 4.37Å; E250-K448 WeakPolarHBondContact O-CA 3.43Å; E250-K448 PolarHBondContact O-N 3.4Å | ||
| 449 | H | 26.2 | Very low | 27.3 | Very low | 45 Ų | 45 | 141.3 Ų | 141.3 | 21% | 0.208 | 72% | 0.716 | C | S | . | * | trans | 36 | 124 | 152.6 | -71.1 | -106.8 | 0 | 0 | 0 | 119.9 | Y249 E250 E251 | Y249-H449 WeakPolarHBondContact CB-CD2 3.43Å; Y249-H449 HydrophobicContact CD1-CB 3.65Å; Y249-H449 AromaticContact CD1-CD2 2.83Å; Y249-H449 WeakPolarHBondContact CD1-CD2 3.16Å; Y249-H449 AromaticContact CD1-CG 3.36Å; Y249-H449 AromaticContact CD1-NE2 3.59Å; Y249-H449 AromaticContact CD2-CD2 3.24Å; Y249-H449 WeakPolarHBondContact CD2-CD2 3.4Å; Y249-H449 AromaticContact CD2-CE1 3.86Å; Y249-H449 AromaticContact CD2-NE2 2.96Å; Y249-H449 WeakPolarHBondContact CD2-NE2 3.27Å; Y249-H449 HydrophobicContact CE1-CB 3.33Å; Y249-H449 AromaticContact CE1-CD2 3.06Å; Y249-H449 WeakPolarHBondContact CE1-CD2 3.42Å; Y249-H449 AromaticContact CE1-CG 3.1Å; Y249-H449 AromaticContact CE1-ND1 3.81Å; Y249-H449 AromaticContact CE1-NE2 3.7Å; Y249-H449 AromaticContact CE2-CD2 3.5Å; Y249-H449 AromaticContact CE2-CE1 3.58Å; Y249-H449 AromaticContact CE2-CG 3.98Å; Y249-H449 AromaticContact CE2-NE2 3.16Å; Y249-H449 WeakPolarHBondContact CE2-NE2 3.45Å; Y249-H449 AromaticContact CG-CD2 2.88Å; Y249-H449 AromaticContact CG-CG 3.86Å; Y249-H449 AromaticContact CG-NE2 3.19Å; Y249-H449 AromaticContact CZ-CD2 3.37Å; Y249-H449 AromaticContact CZ-CE1 3.64Å; Y249-H449 AromaticContact CZ-CG 3.41Å; Y249-H449 VanDerWaalsContact CZ-CG 3.41Å; Y249-H449 AromaticContact CZ-ND1 3.62Å; Y249-H449 AromaticContact CZ-NE2 3.46Å; E250-H449 WeakPolarHBondContact CB-CD2 3.44Å; E250-H449 VanDerWaalsContact CD-ND1 3.25Å; E250-H449 VanDerWaalsContact CG-CE1 3.48Å; E250-H449 WeakPolarHBondContact CG-CE1 3.23Å; E250-H449 WeakPolarHBondContact CG-NE2 3.29Å; E250-H449 PolarHBondContact N-CD2 3.49Å; E250-H449 VanDerWaalsContact N-CD2 3.3Å; E250-H449 PolarHBondContact N-NE2 2.93Å; E250-H449 IonicContact OE1-CE1 3.15Å; E250-H449 PolarHBondContact OE1-CE1 3.25Å; E250-H449 IonicContact OE1-ND1 3.53Å; E250-H449 IonicContact OE1-NE2 3.8Å; E250-H449 IonicContact OE2-CD2 3.7Å; E250-H449 IonicContact OE2-CE1 3.43Å; E250-H449 PolarHBondContact OE2-CE1 2.9Å; E250-H449 IonicContact OE2-CG 3.3Å; E250-H449 VanDerWaalsContact OE2-CG 3.3Å; E250-H449 IonicContact OE2-ND1 3.06Å; E250-H449 PolarHBondContact OE2-ND1 3.11Å; E250-H449 IonicContact OE2-NE2 3.85Å; E251-H449 VanDerWaalsContact CD-N 3.33Å; E251-H449 PolarHBondContact OE2-N 3.16Å | ||
| 450 | T | 25.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | -155.2 | 141.1 | 128.1 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | E251 | E251-T450 VanDerWaalsContact CD-N 3.3Å; E251-T450 PolarHBondContact OE1-N 3.49Å | |||
| 451 | I | 26 | Very low | 28 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 68% | 0.677 | 71% | 0.705 | S | S | * | * | trans | -84.1 | 151.8 | -169.5 | -64.3 | 159.1 | 0 | 0 | 0 | 112 | ||||
| 452 | L | 25.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | trans | 99.8 | 106.8 | 142.5 | -133.5 | 74.5 | 0 | 0 | 0 | 117.3 | ||||
| 453 | H | 25.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | 175.3 | 145.8 | 97.2 | -108.1 | -87.1 | 0 | 0 | 0 | 112.6 | |||||
| 454 | K | 27.5 | Very low | 30.3 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | trans | -60.2 | 132.2 | 170.1 | -68.4 | 173.1 | 173.7 | -178.7 | 0 | 111.4 | ||||
| 455 | C | 26.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 86% | 0.858 | 69% | 0.689 | S | S | * | * | trans | -131 | 128 | 146.5 | -74.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 456 | D | 27.6 | Very low | 31.7 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -58.2 | 148.6 | 170.1 | -61.5 | -61.5 | 0 | 0 | 0 | 111.3 | ||||
| 457 | V | 33.2 | Very low | 32.3 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | trans | 167.9 | 112.8 | 131.4 | 162.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 458 | K | 27.6 | Very low | 33 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 81% | 0.809 | 68% | 0.675 | S | S | * | * | trans | 48.6 | 110.6 | 142.5 | -65.7 | -177.9 | 175.6 | 179.7 | 0 | 123.9 | ||||
| 459 | Y | 29.9 | Very low | 33.6 | Very low | 206 Ų | 206 | 137.1 Ų | 137.1 | 81% | 0.808 | 68% | 0.681 | S | S | * | * | trans | -13.7 | 122.6 | 139 | -61.6 | -95.5 | 0 | 0 | 0 | 119.2 | ||||
| 460 | V | 31.2 | Very low | 34.2 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 65% | 0.648 | 71% | 0.705 | S | S | * | * | trans | -159.4 | 118.6 | 150.5 | -179.2 | 0 | 0 | 0 | 0 | 113.5 | A437 L438 G439 | A437-V460 CarbonylContact O-C 3.26Å; A437-V460 VanDerWaalsContact O-C 3.26Å; A437-V460 WeakPolarHBondContact O-CA 3.48Å; A437-V460 PolarHBondContact O-N 3.5Å; L438-V460 CarbonylContact C-O 2.82Å; L438-V460 CarbonylContact O-C 3.37Å; G439-V460 WeakPolarHBondContact CA-O 3.41Å; G439-V460 PolarHBondContact N-O 3.45Å | ||
| 461 | N | 37.4 | Very low | 35.2 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 51% | 0.508 | 70% | 0.703 | S | S | . | * | trans | 112.8 | 72.9 | 156.4 | -130.7 | -3 | 0 | 0 | 0 | 130.9 | A437 L438 Q463 | A437-N461 PolarHBondContact O-N 3.21Å; L438-N461 VanDerWaalsContact C-C 3.41Å; L438-N461 CarbonylContact C-O 3Å; L438-N461 VanDerWaalsContact CA-O 3.3Å; L438-N461 WeakPolarHBondContact CA-O 3.4Å; L438-N461 WeakPolarHBondContact CB-O 3.27Å; L438-N461 VanDerWaalsContact CD1-O 3.27Å; L438-N461 WeakPolarHBondContact CD1-O 3.43Å; L438-N461 PolarHBondContact N-O 3.09Å; L438-N461 CarbonylContact O-C 2.94Å; L438-N461 WeakPolarHBondContact O-CA 3.3Å; L438-N461 WeakPolarHBondContact O-CB 3.37Å; L438-N461 PolarHBondContact O-N 3.32Å; N461-Q463 PolarHBondContact O-N 3.01Å | ||
| 462 | E | 44.4 | Very low | 36 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 38% | 0.383 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | 19.5 | -146.8 | -83.1 | -178.5 | 157.1 | 0 | 0 | 110.8 | P436 A437 L438 | P436-E462 VanDerWaalsContact C-CB 3.5Å; P436-E462 VanDerWaalsContact C-CG 3.46Å; P436-E462 VanDerWaalsContact O-CG 3.27Å; P436-E462 WeakPolarHBondContact O-CG 3.47Å; A437-E462 VanDerWaalsContact N-CG 3.31Å; L438-E462 VanDerWaalsContact CG-CA 3.41Å; L438-E462 HydrophobicContact CG-CB 4.31Å |
| 463 | Q | 44 | Very low | 36.8 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -11.5 | -162.1 | -139.8 | 167.2 | 2.3 | 0 | 0 | 115.2 | N461 T466 | N461-Q463 PolarHBondContact O-N 3.01Å; Q463-T466 PolarHBondContact O-OG1 2.96Å |
| 464 | E | 45.7 | Very low | 37.7 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -103.1 | -14 | -178 | -128.9 | 178.6 | -177.8 | 0 | 0 | 116.6 | L438 T466 R467 | L438-E464 HydrophobicContact CD1-CB 3.98Å; E464-T466 PolarHBondContact O-N 3.12Å; E464-R467 PolarHBondContact O-N 3.17Å |
| 465 | N | 37.8 | Very low | 38.3 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -3.1 | 176.7 | -100 | -8.4 | 0 | 0 | 0 | 114.2 | L438 | L438-N465 HydrophobicContact CD1-CB 4.34Å; L438-N465 HydrophobicContact CD2-CB 4.21Å |
| 466 | T | 44.4 | Very low | 39.1 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 54% | 0.54 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -15.7 | 175.2 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | Q463 E464 H468 | Q463-T466 PolarHBondContact O-OG1 2.96Å; E464-T466 PolarHBondContact O-N 3.12Å; T466-H468 PolarHBondContact O-N 2.83Å |
| 467 | R | 39.1 | Very low | 40.1 | Very low | 200 Ų | 200 | 130.5 Ų | 130.5 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -77.9 | -16.8 | -175.9 | -78.6 | -169.9 | 176.4 | -165.9 | 0.9 | 115.7 | E464 | E464-R467 PolarHBondContact O-N 3.17Š|
| 468 | H | 38.6 | Very low | 41.2 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -104.7 | -3.2 | -177.9 | -75.6 | -60.6 | 0 | 0 | 0 | 115.9 | T466 S471 | T466-H468 PolarHBondContact O-N 2.83Å; H468-S471 PolarHBondContact O-OG 2.96Å |
| 469 | M | 40.4 | Very low | 42.5 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 72% | 0.719 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -78.5 | -21.2 | 174.6 | -69.2 | -64.3 | 164.2 | 0 | 0 | 112.9 | S471 A472 | M469-S471 VanDerWaalsContact C-N 3.31Å; M469-S471 PolarHBondContact O-N 2.64Å; M469-A472 PolarHBondContact O-N 3.43Å |
| 470 | N | 39.6 | Very low | 43.8 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -73.6 | -15.9 | -178.9 | -70.8 | -10.5 | 0 | 0 | 0 | 114.4 | ||
| 471 | S | 46.3 | Very low | 44.8 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -91.4 | -1.4 | 177.8 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | H468 M469 | H468-S471 PolarHBondContact O-OG 2.96Å; M469-S471 VanDerWaalsContact C-N 3.31Å; M469-S471 PolarHBondContact O-N 2.64Å |
| 472 | A | 42.8 | Very low | 46 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 50% | 0.504 | 67% | 0.665 | S | S | . | * | trans | -114.5 | 18.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M469 N474 | M469-A472 PolarHBondContact O-N 3.43Å; A472-N474 PolarHBondContact O-N 3.06Å | ||
| 473 | L | 43.9 | Very low | 47.1 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 80% | 0.801 | 67% | 0.671 | S | S | * | * | trans | -66 | 63.8 | 145.3 | -71.7 | 173.6 | 0 | 0 | 0 | 107.6 | T475 | L473-T475 PolarHBondContact O-N 3.42Š| ||
| 474 | N | 42.6 | Very low | 47.8 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | trans | -47.4 | 111.8 | 157.2 | -75.9 | -49.4 | 0 | 0 | 0 | 104.2 | A472 V476 | A472-N474 PolarHBondContact O-N 3.06Å; N474-V476 VanDerWaalsContact C-N 3.25Å; N474-V476 PolarHBondContact O-N 3.2Å | ||
| 475 | T | 40 | Very low | 48.7 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | trans | -35.2 | 97.3 | 160.1 | 29.3 | 0 | 0 | 0 | 0 | 108 | L473 S477 | L473-T475 PolarHBondContact O-N 3.42Å; T475-S477 PolarHBondContact O-N 3.38Å | ||
| 476 | V | 45.3 | Very low | 50 | Low | 136 Ų | 136 | 116.8 Ų | 116.8 | 82% | 0.824 | 64% | 0.642 | S | S | * | * | trans | -67.7 | 90.2 | 166.6 | 178.3 | 0 | 0 | 0 | 0 | 102.8 | N474 | N474-V476 VanDerWaalsContact C-N 3.25Å; N474-V476 PolarHBondContact O-N 3.2Å | ||
| 477 | S | 47.4 | Very low | 50.5 | Low | 93 Ų | 93 | 116.4 Ų | 116.4 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.1 | 174 | -64.4 | 0 | 0 | 0 | 0 | 106 | T475 | T475-S477 PolarHBondContact O-N 3.38Š|
| 478 | P | 57.7 | Low | 51.7 | Low | 105 Ų | 105 | 113.7 Ų | 113.7 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 147.9 | 179.5 | 21.6 | -31.1 | 0 | 0 | 0 | 109.4 | V480 | P478-V480 PolarHBondContact O-N 3.37Š|
| 479 | P | 53.5 | Low | 52.9 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 79% | 0.792 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 125.8 | 179.3 | 23 | -31.9 | 0 | 0 | 0 | 109.6 | H481 | P479-H481 PolarHBondContact O-N 2.86Å; P479-H481 VanDerWaalsContact O-N 3.15Å |
| 480 | V | 57.2 | Low | 53.7 | Low | 113 Ų | 113 | 111.1 Ų | 111.1 | 69% | 0.685 | 63% | 0.63 | S | S | * | * | trans | -60 | 114.9 | 177.6 | 178 | 0 | 0 | 0 | 0 | 108.6 | P478 D485 | P478-V480 PolarHBondContact O-N 3.37Å; V480-D485 WeakPolarHBondContact CA-OD2 3.48Å; V480-D485 HydrophobicContact CG1-CB 3.48Å; V480-D485 VanDerWaalsContact CG1-CB 3.48Å | ||
| 481 | H | 53.4 | Low | 54.5 | Low | 86 Ų | 86 | 109.7 Ų | 109.7 | 40% | 0.398 | 62% | 0.615 | S | S | . | * | trans | -85.9 | 122.9 | 177.6 | -166.5 | -67.5 | 0 | 0 | 0 | 109.2 | P479 I483 W484 D485 | P479-H481 PolarHBondContact O-N 2.86Å; P479-H481 VanDerWaalsContact O-N 3.15Å; H481-I483 PolarHBondContact ND1-N 3.48Å; H481-I483 PolarHBondContact O-N 3.27Å; H481-W484 HydrophobicContact CB-CB 4.44Å; H481-W484 HydrophobicContact CB-CG 4.49Å; H481-W484 AromaticContact CD2-CD1 3.9Å; H481-W484 AromaticContact CE1-CD1 3.82Å; H481-W484 AromaticContact CE1-NE1 3.77Å; H481-W484 AromaticContact CG-CD1 3.39Å; H481-W484 AromaticContact ND1-CD1 3.34Å; H481-W484 VanDerWaalsContact ND1-CD1 3.34Å; H481-W484 AromaticContact ND1-NE1 3.76Å; H481-W484 PolarHBondContact O-N 2.91Å; H481-D485 PolarHBondContact N-OD2 3Å; H481-D485 PolarHBondContact O-N 3.01Å | ||
| 482 | P | 62.6 | Low | 55 | Low | 99 Ų | 99 | 109.9 Ų | 109.9 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 8 | -171.4 | 28.4 | -36.7 | 0 | 0 | 0 | 115.5 | T486 | P482-T486 VanDerWaalsContact C-OG1 3.28Å; P482-T486 PolarHBondContact O-OG1 3.28Å |
| 483 | I | 66.1 | Low | 55.3 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.4 | -50.4 | 174.7 | -62.4 | 178.7 | 0 | 0 | 0 | 107.9 | H481 R491 | H481-I483 PolarHBondContact ND1-N 3.48Å; H481-I483 PolarHBondContact O-N 3.27Å; I483-R491 PolarHBondContact O-NE 2.76Å; I483-R491 PolarHBondContact O-NH2 3.06Å |
| 484 | W | 60.3 | Low | 55.5 | Low | 186 Ų | 186 | 106.2 Ų | 106.2 | 71% | 0.705 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -31.7 | -174.3 | -51.6 | 113.9 | 0 | 0 | 0 | 113.6 | H481 R491 | H481-W484 HydrophobicContact CB-CB 4.44Å; H481-W484 HydrophobicContact CB-CG 4.49Å; H481-W484 AromaticContact CD2-CD1 3.9Å; H481-W484 AromaticContact CE1-CD1 3.82Å; H481-W484 AromaticContact CE1-NE1 3.77Å; H481-W484 AromaticContact CG-CD1 3.39Å; H481-W484 AromaticContact ND1-CD1 3.34Å; H481-W484 VanDerWaalsContact ND1-CD1 3.34Å; H481-W484 AromaticContact ND1-NE1 3.76Å; H481-W484 PolarHBondContact O-N 2.91Å; W484-R491 VanDerWaalsContact C-NH2 3.31Å; W484-R491 PolarHBondContact O-NH2 2.8Å |
| 485 | D | 64.5 | Low | 55.5 | Low | 96 Ų | 96 | 106.5 Ų | 106.5 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -102.8 | -0.5 | -174.1 | -59.7 | -42 | 0 | 0 | 0 | 113.7 | V480 H481 | V480-D485 WeakPolarHBondContact CA-OD2 3.48Å; V480-D485 HydrophobicContact CG1-CB 3.48Å; V480-D485 VanDerWaalsContact CG1-CB 3.48Å; H481-D485 PolarHBondContact N-OD2 3Å; H481-D485 PolarHBondContact O-N 3.01Å |
| 486 | T | 63.5 | Low | 55.9 | Low | 37 Ų | 37 | 105 Ų | 105 | 23% | 0.227 | 59% | 0.588 | C | S | . | * | S | Bend | trans | -80.9 | 126 | 172.9 | -45.7 | 0 | 0 | 0 | 0 | 108.9 | P482 L490 R491 | P482-T486 VanDerWaalsContact C-OG1 3.28Å; P482-T486 PolarHBondContact O-OG1 3.28Å; T486-L490 HydrophobicContact CG2-CB 3.66Å; T486-L490 HydrophobicContact CG2-CD1 4.44Å; T486-R491 PolarHBondContact O-NE 2.82Å; T486-R491 PolarHBondContact O-NH2 3.08Å |
| 487 | P | 56.6 | Low | 55.9 | Low | 80 Ų | 80 | 104.9 Ų | 104.9 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | trans | -52.7 | 143.3 | 174.2 | -23.4 | 31.5 | 0 | 0 | 0 | 111.1 | D489 L490 R491 | P487-D489 PolarHBondContact O-N 3.23Å; P487-D489 VanDerWaalsContact O-N 3.14Å; P487-L490 PolarHBondContact O-N 2.79Å; P487-R491 PolarHBondContact O-N 3.05Å | ||
| 488 | E | 64.3 | Low | 55.8 | Low | 143 Ų | 143 | 109.3 Ų | 109.3 | 67% | 0.668 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -53.2 | -38.3 | -175.2 | -76.8 | -177.7 | 156.2 | 0 | 0 | 113.1 | L490 R491 | E488-L490 PolarHBondContact O-N 3.21Å; E488-L490 VanDerWaalsContact O-N 3.11Å; E488-R491 WeakPolarHBondContact O-CB 3.38Å; E488-R491 PolarHBondContact O-N 2.96Å; E488-R491 IonicContact OE1-NH1 2.78Å |
| 489 | D | 62.7 | Low | 55.2 | Low | 141 Ų | 141 | 111 Ų | 111 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -56.3 | -30.2 | 177.8 | -60.5 | -25.6 | 0 | 0 | 0 | 113.4 | P487 | P487-D489 PolarHBondContact O-N 3.23Å; P487-D489 VanDerWaalsContact O-N 3.14Å |
| 490 | L | 57.3 | Low | 54.4 | Low | 102 Ų | 102 | 113.2 Ų | 113.2 | 53% | 0.534 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -94.5 | -17.3 | 178.7 | -71.2 | 174.1 | 0 | 0 | 0 | 113.1 | T486 P487 E488 T492 S493 | T486-L490 HydrophobicContact CG2-CB 3.66Å; T486-L490 HydrophobicContact CG2-CD1 4.44Å; P487-L490 PolarHBondContact O-N 2.79Å; E488-L490 PolarHBondContact O-N 3.21Å; E488-L490 VanDerWaalsContact O-N 3.11Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 2.98Å; L490-S493 PolarHBondContact O-OG 3.47Å |
| 491 | R | 56.3 | Low | 53.6 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 39% | 0.389 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.6 | -33.4 | 174.3 | -69.1 | -176.7 | 177.8 | 144.5 | 2.9 | 111.4 | I483 W484 T486 P487 E488 | I483-R491 PolarHBondContact O-NE 2.76Å; I483-R491 PolarHBondContact O-NH2 3.06Å; W484-R491 VanDerWaalsContact C-NH2 3.31Å; W484-R491 PolarHBondContact O-NH2 2.8Å; T486-R491 PolarHBondContact O-NE 2.82Å; T486-R491 PolarHBondContact O-NH2 3.08Å; P487-R491 PolarHBondContact O-N 3.05Å; E488-R491 WeakPolarHBondContact O-CB 3.38Å; E488-R491 PolarHBondContact O-N 2.96Å; E488-R491 IonicContact OE1-NH1 2.78Å |
| 492 | T | 56.3 | Low | 53.6 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -96 | -15 | -177.1 | 51.9 | 0 | 0 | 0 | 0 | 114 | L490 S494 L495 | L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 2.98Å; T492-S494 VanDerWaalsContact C-N 3.3Å; T492-S494 PolarHBondContact O-N 3.49Å; T492-L495 PolarHBondContact O-N 2.94Å |
| 493 | S | 49.8 | Very low | 53.1 | Low | 58 Ų | 58 | 122.3 Ų | 122.3 | 41% | 0.406 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | -12.9 | -172.9 | 67.7 | 0 | 0 | 0 | 0 | 114.7 | L490 | L490-S493 PolarHBondContact O-OG 3.47Š|
| 494 | S | 48.4 | Very low | 52.4 | Low | 80 Ų | 80 | 123.5 Ų | 123.5 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -7.8 | 178.6 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | T492 | T492-S494 VanDerWaalsContact C-N 3.3Å; T492-S494 PolarHBondContact O-N 3.49Å |
| 495 | L | 43.1 | Very low | 51.9 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -16.6 | -178.1 | -124.1 | 151.2 | 0 | 0 | 0 | 113.5 | T492 | T492-L495 PolarHBondContact O-N 2.94Š|
| 496 | T | 48.6 | Very low | 51.1 | Low | 96 Ų | 96 | 121.3 Ų | 121.3 | 59% | 0.589 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -83.5 | -25 | 178.5 | 37.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 497 | D | 45.5 | Very low | 50.3 | Low | 133 Ų | 133 | 126.9 Ų | 126.9 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -86.3 | -14.6 | -176.9 | -74.1 | -0.2 | 0 | 0 | 0 | 113.8 | L499 | D497-L499 VanDerWaalsContact C-N 3.31Å; D497-L499 PolarHBondContact O-N 3.49Å |
| 498 | F | 43.3 | Very low | 49.9 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 82% | 0.82 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -79.9 | -8.9 | 174.6 | -90.1 | -79.3 | 0 | 0 | 0 | 114.3 | ||
| 499 | L | 45.7 | Very low | 48.8 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -102.9 | 10.1 | 178.9 | -70.7 | 173.5 | 0 | 0 | 0 | 114.1 | D497 | D497-L499 VanDerWaalsContact C-N 3.31Å; D497-L499 PolarHBondContact O-N 3.49Å |
| 500 | H | 36.6 | Very low | 47.6 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 78% | 0.778 | 67% | 0.674 | S | S | * | * | trans | -127.7 | 73.7 | 167.5 | -85.1 | -68.9 | 0 | 0 | 0 | 111.5 | ||||
| 501 | L | 40.3 | Very low | 46.7 | Very low | 244 Ų | 244 | 130.7 Ų | 130.7 | 100% | 1.277 | 69% | 0.686 | S | S | * | * | trans | -157.8 | 0 | 149.3 | -107.3 | 155 | 0 | 0 | 0 | 111.4 |
Retrieved 501 of 501 residues in 522.7 ms
(Link to these results)