| 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 | 41.3 | Very low | 34.5 | Very low | 250 Ų | 250 | 161.2 Ų | 161.2 | 100% | 1.232 | 88% | 0.88 | S | S | * | * | 0 | 100.6 | 0 | -80.4 | -177.6 | 176.6 | 0 | 0 | 108.8 | |||||
| 2 | S | 37.2 | Very low | 33.9 | Very low | 127 Ų | 127 | 160.7 Ų | 160.7 | 89% | 0.888 | 88% | 0.875 | S | S | * | * | trans | -156.6 | 126.9 | 152 | -152.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | Q | 36.2 | Very low | 33.7 | Very low | 180 Ų | 180 | 162.4 Ų | 162.4 | 84% | 0.841 | 87% | 0.874 | S | S | * | * | trans | -77.5 | 126.7 | -166.2 | -69 | 164 | -24.4 | 0 | 0 | 110.4 | ||||
| 4 | V | 34.5 | Very low | 33.4 | Very low | 139 Ų | 139 | 161.5 Ų | 161.5 | 84% | 0.842 | 87% | 0.869 | S | S | * | * | 49.7 | 93.7 | 96.3 | -170.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 5 | L | 39.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 161.9 Ų | 161.9 | 94% | 0.937 | 87% | 0.87 | S | S | * | * | trans | -95.4 | 133.4 | 158.5 | -126.4 | 88.7 | 0 | 0 | 0 | 107.9 | ||||
| 6 | G | 31.6 | Very low | 33 | Very low | 63 Ų | 63 | 158.3 Ų | 158.3 | 65% | 0.649 | 87% | 0.87 | S | S | * | * | trans | -118.2 | 165.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 7 | K | 31.8 | Very low | 32.8 | Very low | 206 Ų | 206 | 159.7 Ų | 159.7 | 90% | 0.896 | 87% | 0.869 | S | S | * | * | trans | 93.8 | 153.2 | 163.3 | -64 | -168 | 176.6 | -173.2 | 0 | 117.6 | ||||
| 8 | P | 33.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 161.6 Ų | 161.6 | 79% | 0.792 | 87% | 0.871 | S | S | * | * | cis | -130.6 | -175.7 | -12.7 | 27 | -2.6 | 0 | 0 | 0 | 114.7 | ||||
| 9 | Q | 31.2 | Very low | 32.5 | Very low | 185 Ų | 185 | 163.1 Ų | 163.1 | 86% | 0.864 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 156.3 | -175.7 | -69.6 | 160.3 | -46.3 | 0 | 0 | 117.5 | ||
| 10 | P | 32.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 164.1 Ų | 164.1 | 82% | 0.818 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 145.6 | 170.6 | 33.5 | -27.8 | 0 | 0 | 0 | 112.6 | ||
| 11 | Q | 30.7 | Very low | 32.2 | Very low | 196 Ų | 196 | 165.3 Ų | 165.3 | 92% | 0.916 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 145.1 | 168 | -85.1 | 176.7 | -41.9 | 0 | 0 | 109.7 | ||
| 12 | D | 27.8 | Very low | 31.6 | Very low | 155 Ų | 155 | 161.7 Ų | 161.7 | 83% | 0.829 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 165.5 | 178.2 | -54.9 | -64.2 | 0 | 0 | 0 | 114.4 | ||
| 13 | E | 30.6 | Very low | 31.2 | Very low | 183 Ų | 183 | 163.6 Ų | 163.6 | 86% | 0.855 | 85% | 0.852 | S | S | * | * | trans | 127.2 | 126.3 | 166.1 | -76 | 176.5 | -168.1 | 0 | 0 | 110.1 | ||||
| 14 | D | 29.7 | Very low | 30.8 | Very low | 150 Ų | 150 | 163.6 Ų | 163.6 | 80% | 0.802 | 85% | 0.852 | S | S | * | * | cis | -166.5 | 117.4 | -10.7 | -100.1 | -25.9 | 0 | 0 | 0 | 103.7 | ||||
| 15 | D | 30.1 | Very low | 30.4 | Very low | 167 Ų | 167 | 165.4 Ų | 165.4 | 89% | 0.893 | 86% | 0.856 | S | S | * | * | trans | -94.9 | 121.2 | 171.5 | -83.9 | -38.6 | 0 | 0 | 0 | 108.6 | E17 | D15-E17 PolarHBondContact O-N 3.44Š| ||
| 16 | A | 31 | Very low | 29.9 | Very low | 104 Ų | 104 | 163.1 Ų | 163.1 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | -87.5 | 100.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 17 | E | 29.6 | Very low | 29.6 | Very low | 183 Ų | 183 | 163.1 Ų | 163.1 | 86% | 0.855 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 123.9 | 165.9 | -66.9 | -179.7 | 163.3 | 0 | 0 | 108.9 | D15 | D15-E17 PolarHBondContact O-N 3.44Š|
| 18 | E | 30.5 | Very low | 29.3 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 91% | 0.907 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 124.3 | 169 | -77.4 | -175.2 | 166.9 | 0 | 0 | 109.2 | ||
| 19 | E | 28.9 | Very low | 29.1 | Very low | 190 Ų | 190 | 160.5 Ų | 160.5 | 89% | 0.888 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 133.3 | -172.5 | -63.5 | 174 | 153.9 | 0 | 0 | 113.2 | ||
| 20 | E | 28.4 | Very low | 28.8 | Very low | 183 Ų | 183 | 158.3 Ų | 158.3 | 86% | 0.855 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 119.7 | 163.8 | -66.5 | -171.9 | 157.1 | 0 | 0 | 109.2 | E22 | E20-E22 PolarHBondContact O-N 3.24Š|
| 21 | E | 29.5 | Very low | 28.7 | Very low | 189 Ų | 189 | 163.7 Ų | 163.7 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -80.9 | 104.7 | 170.8 | -74.9 | -175.9 | 162.4 | 0 | 0 | 110.3 | ||||
| 22 | E | 28.3 | Very low | 28.6 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 120.5 | 160.4 | -66.7 | -173.9 | 153.4 | 0 | 0 | 109.3 | E20 | E20-E22 PolarHBondContact O-N 3.24Š|
| 23 | D | 29.2 | Very low | 28.6 | Very low | 167 Ų | 167 | 158.1 Ų | 158.1 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 119.7 | 170.5 | -101.3 | -22.4 | 0 | 0 | 0 | 110.8 | ||
| 24 | E | 28 | Very low | 28.3 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143.8 | -169.9 | -68.2 | 176.9 | 134.9 | 0 | 0 | 115.6 | ||
| 25 | L | 25.8 | Very low | 29 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -87.7 | 112.1 | 169.4 | -147.7 | 116.9 | 0 | 0 | 0 | 109.1 | G27 | L25-G27 PolarHBondContact O-N 3.16Š| ||
| 26 | V | 30.1 | Very low | 28.9 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -82.9 | 112.4 | 177 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 27 | G | 23.9 | Very low | 28.7 | Very low | 63 Ų | 63 | 150.3 Ų | 150.3 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | trans | -80.8 | 154.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L25 | L25-G27 PolarHBondContact O-N 3.16Š| ||
| 28 | L | 27 | Very low | 28.6 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -129.5 | 129.3 | 159.4 | -103 | 132.3 | 0 | 0 | 0 | 108.3 | ||||
| 29 | A | 27.9 | Very low | 28.4 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -85.3 | 141 | -166 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 30 | D | 25.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | 42.4 | 126.8 | 125.9 | -157.6 | 16.3 | 0 | 0 | 0 | 121.5 | |||||
| 31 | Y | 31 | Very low | 28.4 | Very low | 239 Ų | 239 | 139 Ų | 139 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -160.6 | 109.6 | 135 | -100.2 | -74.4 | 0 | 0 | 0 | 110.8 | ||||
| 32 | G | 28 | Very low | 28.7 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | 76.5 | 95.1 | 120.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 33 | D | 27.4 | Very low | 28.5 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | 34.2 | 124.7 | 127.9 | -147.1 | 28.1 | 0 | 0 | 0 | 123.6 | |||||
| 34 | G | 24 | Very low | 28.6 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 96.8 | 155.2 | 132 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 35 | P | 45.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -116.8 | 156.2 | -130.7 | 38.4 | -27.5 | 0 | 0 | 0 | 115.4 | ||||
| 36 | D | 26.9 | Very low | 28.6 | Very low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -171 | 159.5 | 140.2 | -124.3 | -35.8 | 0 | 0 | 0 | 115.5 | ||||
| 37 | S | 28.1 | Very low | 28.5 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -53.9 | 163.1 | -172.2 | 48.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 38 | S | 27.6 | Very low | 28.6 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | 105.5 | 113 | 140.4 | 69.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 39 | D | 26.2 | Very low | 28.5 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 57.1 | 112.5 | 132.6 | -55.3 | -30.6 | 0 | 0 | 0 | 121.4 | ||||
| 40 | A | 29.5 | Very low | 28.5 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | 166.1 | 114.3 | 108 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 41 | D | 27.3 | Very low | 28.8 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 147.3 | 150.3 | -75.5 | -44.1 | 0 | 0 | 0 | 108.6 | ||||
| 42 | P | 34.7 | Very low | 28.6 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -151.1 | 145.5 | 94.4 | 36.6 | -17.2 | 0 | 0 | 0 | 116.9 | |||||
| 43 | D | 25.5 | Very low | 28.9 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 84.8 | 140.6 | 135.1 | -144.3 | 15.9 | 0 | 0 | 0 | 122.3 | ||||
| 44 | S | 31.6 | Very low | 29 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -64.9 | 141.1 | -170.4 | 56.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 45 | G | 25 | Very low | 29.2 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | trans | -157.7 | 110.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E47 | G45-E47 PolarHBondContact O-N 3.35Š| ||
| 46 | T | 28.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -48.4 | 113.7 | 171.5 | 34.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 47 | E | 27.6 | Very low | 28.8 | Very low | 192 Ų | 192 | 124.8 Ų | 124.8 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -93.1 | 107.8 | 164.7 | -68.7 | -164.3 | 160.4 | 0 | 0 | 109.6 | G45 G49 | G45-E47 PolarHBondContact O-N 3.35Å; E47-G49 PolarHBondContact O-N 3.18Å | ||
| 48 | E | 26.3 | Very low | 29.1 | Very low | 182 Ų | 182 | 123.2 Ų | 123.2 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | trans | -55.7 | 117.4 | 164 | -69.1 | -174.3 | 149.8 | 0 | 0 | 109 | V50 | E48-V50 VanDerWaalsContact C-N 3.33Å; E48-V50 PolarHBondContact O-N 3.03Å | ||
| 49 | G | 25.3 | Very low | 29.5 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -66.7 | 89.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E47 L51 | E47-G49 PolarHBondContact O-N 3.18Å; G49-L51 PolarHBondContact O-N 3.47Å | ||
| 50 | V | 28.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 120 Ų | 120 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | trans | -61.2 | 116.2 | 161.7 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | E48 D52 | E48-V50 VanDerWaalsContact C-N 3.33Å; E48-V50 PolarHBondContact O-N 3.03Å; V50-D52 PolarHBondContact O-N 3.33Å | ||
| 51 | L | 31.7 | Very low | 31.7 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | trans | -62 | 98.2 | 176.4 | -68.4 | 167.2 | 0 | 0 | 0 | 109.1 | G49 F53 | G49-L51 PolarHBondContact O-N 3.47Å; L51-F53 HydrophobicContact CB-CD2 4.19Å; L51-F53 HydrophobicContact CB-CE2 4.15Å; L51-F53 PolarHBondContact O-N 3.17Å | ||
| 52 | D | 25.5 | Very low | 33.5 | Very low | 122 Ų | 122 | 116 Ų | 116 | 65% | 0.652 | 67% | 0.673 | S | S | * | * | trans | -70.6 | 99.6 | 174.7 | -166.7 | -0.2 | 0 | 0 | 0 | 109.9 | V50 S54 | V50-D52 PolarHBondContact O-N 3.33Å; D52-S54 PolarHBondContact O-N 3.37Å; D52-S54 WeakPolarHBondContact OD1-CB 3.27Å; D52-S54 PolarHBondContact OD1-N 3.46Å; D52-S54 PolarHBondContact OD1-OG 3.24Å | ||
| 53 | F | 35 | Very low | 35.2 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 50% | 0.5 | 65% | 0.648 | S | S | . | * | trans | -88 | 34.9 | 169.7 | -86.8 | -83.6 | 0 | 0 | 0 | 111.8 | L51 | L51-F53 HydrophobicContact CB-CD2 4.19Å; L51-F53 HydrophobicContact CB-CE2 4.15Å; L51-F53 PolarHBondContact O-N 3.17Å | ||
| 54 | S | 28.8 | Very low | 38 | Very low | 74 Ų | 74 | 107.7 Ų | 107.7 | 52% | 0.517 | 62% | 0.62 | S | S | . | * | trans | -126.1 | 84.2 | 175 | 71.2 | 0 | 0 | 0 | 0 | 113 | D52 P56 | D52-S54 PolarHBondContact O-N 3.37Å; D52-S54 WeakPolarHBondContact OD1-CB 3.27Å; D52-S54 PolarHBondContact OD1-N 3.46Å; D52-S54 PolarHBondContact OD1-OG 3.24Å; S54-P56 WeakPolarHBondContact O-CD 3.24Å | ||
| 55 | D | 28.3 | Very low | 40.8 | Very low | 127 Ų | 127 | 102.6 Ų | 102.6 | 68% | 0.679 | 58% | 0.584 | S | S | * | * | trans | -109.4 | 92.6 | 152.1 | -161.3 | -6.7 | 0 | 0 | 0 | 109.1 | F57 | D55-F57 PolarHBondContact O-N 2.98Š| ||
| 56 | P | 32.9 | Very low | 43.9 | Very low | 95 Ų | 95 | 99.4 Ų | 99.4 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 3.6 | -172 | -12.5 | 29.4 | 0 | 0 | 0 | 114.4 | S54 | S54-P56 WeakPolarHBondContact O-CD 3.24Š|
| 57 | F | 31.1 | Very low | 46.8 | Very low | 181 Ų | 181 | 92.4 Ų | 92.4 | 79% | 0.794 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -4.3 | -169.1 | -77.8 | -80.1 | 0 | 0 | 0 | 116.9 | D55 T59 | D55-F57 PolarHBondContact O-N 2.98Å; F57-T59 VanDerWaalsContact C-N 3.35Å; F57-T59 PolarHBondContact O-N 3.38Å; F57-T59 VanDerWaalsContact O-N 3.14Å |
| 58 | S | 35.5 | Very low | 49.8 | Very low | 61 Ų | 61 | 83.3 Ų | 83.3 | 43% | 0.427 | 47% | 0.466 | S | S | . | . | trans | -89.3 | 64.3 | 170.7 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | E60 | S58-E60 PolarHBondContact O-N 2.99Š| ||
| 59 | T | 35.7 | Very low | 52.7 | Low | 106 Ų | 106 | 75.2 Ų | 75.2 | 65% | 0.65 | 43% | 0.431 | S | S | * | . | trans | -78.7 | 41.1 | 163.8 | 30.4 | 0 | 0 | 0 | 0 | 111.9 | F57 | F57-T59 VanDerWaalsContact C-N 3.35Å; F57-T59 PolarHBondContact O-N 3.38Å; F57-T59 VanDerWaalsContact O-N 3.14Å | ||
| 60 | E | 47.2 | Very low | 55.7 | Low | 84 Ų | 84 | 73.7 Ų | 73.7 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | trans | -106.9 | 111.4 | 161.6 | -61 | -162 | 152.2 | 0 | 0 | 105.7 | S58 K62 K379 | S58-E60 PolarHBondContact O-N 2.99Å; E60-K62 HydrophobicContact CB-CG 4.01Å; E60-K62 PolarHBondContact O-N 3.24Å; E60-K379 IonicContact OE1-NZ 3.9Å; E60-K379 PolarHBondContact OE1-NZ 3.06Å | ||
| 61 | V | 54.5 | Low | 58.4 | Low | 139 Ų | 139 | 73.7 Ų | 73.7 | 84% | 0.842 | 39% | 0.39 | S | S | * | . | trans | -72.3 | 73.9 | 168.6 | -174.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 62 | K | 64.1 | Low | 61 | Low | 33 Ų | 33 | 77.7 Ų | 77.7 | 14% | 0.143 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 127.3 | 168 | -65.5 | -175.1 | -173.5 | -180 | 0 | 105.9 | E60 R64 D104 N112 Q114 | E60-K62 HydrophobicContact CB-CG 4.01Å; E60-K62 PolarHBondContact O-N 3.24Å; K62-R64 PolarHBondContact O-N 3.41Å; K62-D104 IonicContact NZ-OD1 3.88Å; K62-D104 PolarHBondContact NZ-OD1 2.94Å; K62-N112 WeakPolarHBondContact CB-O 3.27Å; K62-N112 HydrophobicContact CD-CB 4.28Å; K62-N112 HydrophobicContact CG-CB 4.26Å; K62-Q114 HydrophobicContact CD-CG 4.31Å |
| 63 | P | 71.4 | Confident | 63.9 | Low | 39 Ų | 39 | 72 Ų | 72 | 25% | 0.253 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 128.9 | 171.6 | 19.5 | -31 | 0 | 0 | 0 | 109 | N112 F113 Q114 | P63-N112 VanDerWaalsContact CD-O 3.3Å; P63-N112 WeakPolarHBondContact CD-O 3.45Å; P63-F113 HydrophobicContact CG-CB 4.27Å; P63-F113 WeakPolarHBondContact O-CA 3.39Å; P63-F113 WeakPolarHBondContact O-CB 3.42Å; P63-Q114 PolarHBondContact O-N 3.18Å |
| 64 | R | 84.9 | Confident | 66.4 | Low | 59 Ų | 59 | 67 Ų | 67 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.2 | 176.4 | -54.6 | -179.2 | 178.2 | 151.3 | 1.8 | 109.5 | K62 Q114 G137 G139 A140 | K62-R64 PolarHBondContact O-N 3.41Å; R64-Q114 WeakPolarHBondContact CA-O 3.46Å; R64-Q114 HydrophobicContact CG-CB 4.27Å; R64-G137 WeakPolarHBondContact CG-O 3.2Å; R64-G139 PolarHBondContact O-N 2.87Å; R64-A140 PolarHBondContact O-N 3.04Å |
| 65 | I | 89.3 | Confident | 69.3 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.7 | 172.1 | -56.8 | -178.6 | 0 | 0 | 0 | 106.9 | F113 Q114 I115 W116 A140 I142 V234 L237 | I65-F113 HydrophobicContact CD1-CB 4.48Å; I65-F113 HydrophobicContact CD1-CD1 3.94Å; I65-F113 HydrophobicContact CD1-CD2 3.99Å; I65-F113 HydrophobicContact CD1-CE1 4.06Å; I65-F113 HydrophobicContact CD1-CE2 4.14Å; I65-F113 HydrophobicContact CD1-CG 3.92Å; I65-F113 HydrophobicContact CD1-CZ 4.19Å; I65-F113 HydrophobicContact CG1-CB 4.47Å; I65-F113 HydrophobicContact CG1-CD2 4.47Å; I65-F113 HydrophobicContact CG1-CG 4.37Å; I65-Q114 PolarHBondContact N-O 2.93Å; I65-I115 WeakPolarHBondContact O-CA 3.06Å; I65-W116 PolarHBondContact O-N 3.12Å; I65-A140 WeakPolarHBondContact CA-O 3.45Å; I65-I142 HydrophobicContact CG2-CD1 3.5Å; I65-I142 HydrophobicContact CG2-CG1 3.97Å; I65-V234 HydrophobicContact CD1-CG2 4.3Å; I65-L237 HydrophobicContact CD1-CD1 3.71Å; I65-L237 HydrophobicContact CG1-CD1 3.65Å |
| 66 | L | 89.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.9 | 176.1 | -53 | -177.2 | 0 | 0 | 0 | 109.3 | M68 W116 F118 I134 F135 T138 A140 I142 | L66-M68 HydrophobicContact CB-CG 4.21Å; L66-M68 HydrophobicContact CB-SD 4.38Å; L66-M68 HydrophobicContact CD1-SD 4.44Å; L66-W116 HydrophobicContact CD2-CB 3.77Å; L66-W116 HydrophobicContact CD2-CD2 4.21Å; L66-W116 HydrophobicContact CD2-CE3 4.28Å; L66-W116 HydrophobicContact CD2-CG 4.03Å; L66-F118 HydrophobicContact CD2-CE2 4Å; L66-I134 HydrophobicContact CD1-CG2 4.07Å; L66-I134 HydrophobicContact CD2-CG2 4.19Å; L66-F135 HydrophobicContact CD1-CD1 3.64Å; L66-F135 HydrophobicContact CD1-CE1 3.61Å; L66-T138 HydrophobicContact CD1-CG2 3.8Å; L66-T138 VanDerWaalsContact CD1-OG1 3.26Å; L66-T138 WeakPolarHBondContact CD1-OG1 3.44Å; L66-T138 HydrophobicContact CG-CG2 3.64Å; L66-T138 WeakPolarHBondContact CG-OG1 3.06Å; L66-A140 PolarHBondContact N-O 2.85Å; L66-I142 PolarHBondContact O-N 2.79Å |
| 67 | L | 90.5 | Very high | 74.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112.4 | 169.3 | -72.2 | 169.3 | 0 | 0 | 0 | 108.8 | Q79 I115 W116 F118 I142 V144 F230 | L67-Q79 HydrophobicContact CD1-CB 4.2Å; L67-I115 HydrophobicContact CD1-CG2 3.5Å; L67-I115 HydrophobicContact CG-CG2 4.03Å; L67-W116 PolarHBondContact N-O 2.72Å; L67-F118 PolarHBondContact O-N 3.19Å; L67-I142 HydrophobicContact CD2-CB 3.83Å; L67-I142 HydrophobicContact CD2-CD1 4.06Å; L67-I142 HydrophobicContact CD2-CG2 3.79Å; L67-V144 HydrophobicContact CD2-CG2 4.43Å; L67-F230 HydrophobicContact CD2-CZ 4.1Å |
| 68 | M | 89.6 | Confident | 77.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 159.4 | -177 | -55.6 | -174 | 81.9 | 0 | 0 | 110.6 | L66 F118 F124 F135 L141 I142 F143 V144 T161 | L66-M68 HydrophobicContact CB-CG 4.21Å; L66-M68 HydrophobicContact CB-SD 4.38Å; L66-M68 HydrophobicContact CD1-SD 4.44Å; M68-F118 HydrophobicContact CG-CD2 4.37Å; M68-F124 HydrophobicContact CE-CD1 3.87Å; M68-F124 HydrophobicContact CE-CE1 3.02Å; M68-F124 HydrophobicContact CE-CZ 3.43Å; M68-F124 VanDerWaalsContact CE-CZ 3.43Å; M68-F135 HydrophobicContact CE-CZ 4.3Å; M68-F135 HydrophobicContact SD-CE1 4.13Å; M68-F135 HydrophobicContact SD-CZ 4.46Å; M68-L141 HydrophobicContact SD-CD1 3.62Å; M68-L141 HydrophobicContact SD-CD2 4.32Å; M68-L141 HydrophobicContact SD-CG 3.92Å; M68-I142 PolarHBondContact N-O 2.95Å; M68-F143 HydrophobicContact CB-CD2 4.08Å; M68-F143 CarbonylContact O-C 3.56Å; M68-F143 WeakPolarHBondContact O-CA 3.34Å; M68-V144 PolarHBondContact O-N 2.94Å; M68-T161 HydrophobicContact CE-CG2 3.82Å; M68-T161 HydrophobicContact SD-CG2 3.7Å |
| 69 | G | 87.4 | Confident | 80.2 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | 175 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K75 | G69-K75 PolarHBondContact O-NZ 3.47Å |
| 70 | L | 87.8 | Confident | 82.5 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -64.8 | 156.6 | -175.9 | -64.4 | -173.8 | 0 | 0 | 0 | 114.4 | R72 S73 K75 E153 A154 R157 | L70-R72 PolarHBondContact O-N 3.34Å; L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 3.15Å; L70-S73 PolarHBondContact O-N 3.18Å; L70-S73 VanDerWaalsContact O-N 3.12Å; L70-S73 PolarHBondContact O-OG 2.87Å; L70-S73 VanDerWaalsContact O-OG 3.09Å; L70-K75 PolarHBondContact O-NZ 3.14Å; L70-E153 HydrophobicContact CD1-CB 4.35Å; L70-E153 HydrophobicContact CD1-CG 4.43Å; L70-E153 HydrophobicContact CD2-CG 4.4Å; L70-A154 HydrophobicContact CD1-CB 3.64Å; L70-A154 HydrophobicContact CG-CB 3.99Å; L70-R157 HydrophobicContact CD2-CB 4.34Å; L70-R157 HydrophobicContact CD2-CG 3.92Å |
| 71 | R | 86.2 | Confident | 84.4 | Confident | 134 Ų | 134 | 39.6 Ų | 39.6 | 51% | 0.506 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 138.3 | 174 | -162.8 | -166.4 | 171.6 | 177.7 | -4.1 | 109.9 | S73 S96 Q121 | R71-S73 PolarHBondContact O-N 3.31Å; R71-S96 PolarHBondContact NH2-OG 3.39Å; R71-Q121 HydrophobicContact CG-CG 4.28Å; R71-Q121 VanDerWaalsContact NE-NE2 3.18Å; R71-Q121 VanDerWaalsContact NH1-NE2 3.2Å |
| 72 | R | 85.1 | Confident | 85.8 | Confident | 207 Ų | 207 | 33 Ų | 33 | 78% | 0.781 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 8.7 | -178.8 | -52.1 | 174.8 | 65.8 | -168.2 | -1.4 | 116.2 | L70 G74 K180 | L70-R72 PolarHBondContact O-N 3.34Å; R72-G74 PolarHBondContact O-N 2.74Å; R72-K180 PolarHBondContact O-NZ 3.02Å |
| 73 | S | 87.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -68.3 | -9.8 | 175.6 | 75.4 | 0 | 0 | 0 | 0 | 115.2 | L70 R71 K75 V144 H179 | L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 3.15Å; L70-S73 PolarHBondContact O-N 3.18Å; L70-S73 VanDerWaalsContact O-N 3.12Å; L70-S73 PolarHBondContact O-OG 2.87Å; L70-S73 VanDerWaalsContact O-OG 3.09Å; R71-S73 PolarHBondContact O-N 3.31Å; S73-K75 PolarHBondContact OG-NZ 2.86Å; S73-V144 WeakPolarHBondContact CB-O 3.41Å; S73-V144 WeakPolarHBondContact O-CG1 3.29Å; S73-V144 PolarHBondContact OG-O 2.86Å; S73-H179 PolarHBondContact O-CD2 3.4Å |
| 74 | G | 86.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 103.7 | 5.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | R72 S76 S77 I78 | R72-G74 PolarHBondContact O-N 2.74Å; G74-S76 PolarHBondContact O-N 3.28Å; G74-S77 WeakPolarHBondContact O-CB 3.49Å; G74-S77 PolarHBondContact O-N 2.97Å; G74-S77 VanDerWaalsContact O-N 3.13Å; G74-I78 WeakPolarHBondContact O-CG1 3.36Å; G74-I78 PolarHBondContact O-N 3.13Å |
| 75 | K | 89.8 | Confident | 86.5 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -49.2 | -51.7 | -179.5 | -62.9 | 166.4 | -75.9 | -71.3 | 0 | 114.6 | G69 L70 S73 S77 I78 Q79 D117 F118 V144 | G69-K75 PolarHBondContact O-NZ 3.47Å; L70-K75 PolarHBondContact O-NZ 3.14Å; S73-K75 PolarHBondContact OG-NZ 2.86Å; K75-S77 VanDerWaalsContact C-N 3.32Å; K75-S77 PolarHBondContact O-N 3.09Å; K75-I78 WeakPolarHBondContact O-CB 3.49Å; K75-I78 PolarHBondContact O-N 3.35Å; K75-Q79 PolarHBondContact O-N 3.34Å; K75-D117 VanDerWaalsContact CB-OD1 3.3Å; K75-D117 WeakPolarHBondContact CB-OD1 3.47Å; K75-F118 WeakPolarHBondContact CE-O 3.46Å; K75-V144 HydrophobicContact CG-CB 4.07Å; K75-V144 HydrophobicContact CG-CG2 3.91Å |
| 76 | S | 88.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 17% | 0.168 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.4 | -32 | -177.4 | -41.5 | 0 | 0 | 0 | 0 | 112.1 | G74 K80 T97 D117 | G74-S76 PolarHBondContact O-N 3.28Å; S76-K80 WeakPolarHBondContact O-CG 3.43Å; S76-K80 PolarHBondContact O-N 3.47Å; S76-K80 VanDerWaalsContact O-N 3.11Å; S76-T97 PolarHBondContact OG-OG1 2.93Å; S76-D117 WeakPolarHBondContact CB-OD2 3.45Å; S76-D117 PolarHBondContact OG-OD2 3.32Å |
| 77 | S | 90.1 | Very high | 85.7 | Confident | 22 Ų | 22 | 43 Ų | 43 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 172.5 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | G74 K75 Q79 K80 V81 | G74-S77 WeakPolarHBondContact O-CB 3.49Å; G74-S77 PolarHBondContact O-N 2.97Å; G74-S77 VanDerWaalsContact O-N 3.13Å; K75-S77 VanDerWaalsContact C-N 3.32Å; K75-S77 PolarHBondContact O-N 3.09Å; S77-Q79 VanDerWaalsContact C-N 3.35Å; S77-Q79 PolarHBondContact O-N 3.11Å; S77-K80 PolarHBondContact O-N 3.18Å; S77-V81 WeakPolarHBondContact O-CB 3.48Å; S77-V81 VanDerWaalsContact O-CG2 3.24Å; S77-V81 WeakPolarHBondContact O-CG2 3.48Å; S77-V81 PolarHBondContact O-N 2.7Å |
| 78 | I | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.2 | -50.6 | 175.7 | -71.4 | 168.7 | 0 | 0 | 0 | 110.7 | G74 K75 K80 V81 V82 V144 I221 I226 F230 | G74-I78 WeakPolarHBondContact O-CG1 3.36Å; G74-I78 PolarHBondContact O-N 3.13Å; K75-I78 WeakPolarHBondContact O-CB 3.49Å; K75-I78 PolarHBondContact O-N 3.35Å; I78-K80 PolarHBondContact O-N 2.99Å; I78-V81 PolarHBondContact O-N 2.84Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.21Å; I78-V144 HydrophobicContact CD1-CG1 3.92Å; I78-V144 HydrophobicContact CD1-CG2 4.01Å; I78-I221 HydrophobicContact CG1-CG2 4.02Å; I78-I226 HydrophobicContact CD1-CD1 4.23Å; I78-I226 HydrophobicContact CG1-CD1 4.13Å; I78-I226 HydrophobicContact CG1-CG1 4.47Å; I78-I226 HydrophobicContact CG2-CD1 3.76Å; I78-I226 HydrophobicContact CG2-CG1 3.97Å; I78-F230 HydrophobicContact CG2-CD2 4.48Å; I78-F230 HydrophobicContact CG2-CE2 3.37Å; I78-F230 HydrophobicContact CG2-CZ 3.89Å |
| 79 | Q | 88.1 | Confident | 84.8 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | -179.9 | -177.9 | -175 | 1.6 | 0 | 0 | 111.9 | L67 K75 S77 F83 E103 | L67-Q79 HydrophobicContact CD1-CB 4.2Å; K75-Q79 PolarHBondContact O-N 3.34Å; S77-Q79 VanDerWaalsContact C-N 3.35Å; S77-Q79 PolarHBondContact O-N 3.11Å; Q79-F83 WeakPolarHBondContact O-CD2 3.33Å; Q79-F83 PolarHBondContact O-N 2.93Å; Q79-E103 WeakPolarHBondContact CG-OE2 3.22Å; Q79-E103 PolarHBondContact NE2-OE2 3.07Å |
| 80 | K | 85.1 | Confident | 84.5 | Confident | 74 Ų | 74 | 54 Ų | 54 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.5 | -36.7 | -178.2 | -71 | -169.7 | -180 | -165.7 | 0 | 113.4 | S76 S77 I78 H84 K85 M86 L94 | S76-K80 WeakPolarHBondContact O-CG 3.43Å; S76-K80 PolarHBondContact O-N 3.47Å; S76-K80 VanDerWaalsContact O-N 3.11Å; S77-K80 PolarHBondContact O-N 3.18Å; I78-K80 PolarHBondContact O-N 2.99Å; K80-H84 CarbonylContact O-C 3.46Å; K80-H84 WeakPolarHBondContact O-CA 3.45Å; K80-H84 VanDerWaalsContact O-CB 3.27Å; K80-H84 WeakPolarHBondContact O-CB 3.43Å; K80-H84 PolarHBondContact O-N 2.75Å; K80-K85 PolarHBondContact O-N 2.85Å; K80-M86 HydrophobicContact CB-CB 4.05Å; K80-M86 HydrophobicContact CB-SD 3.97Å; K80-M86 HydrophobicContact CD-CE 4Å; K80-M86 HydrophobicContact CD-SD 3.74Å; K80-M86 PolarHBondContact O-N 3.36Å; K80-L94 HydrophobicContact CD-CD1 4Å; K80-L94 HydrophobicContact CD-CD2 3.51Å; K80-L94 HydrophobicContact CD-CG 4.43Å |
| 81 | V | 86.4 | Confident | 84.2 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 178 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | S77 I78 T91 I221 F227 | S77-V81 WeakPolarHBondContact O-CB 3.48Å; S77-V81 VanDerWaalsContact O-CG2 3.24Å; S77-V81 WeakPolarHBondContact O-CG2 3.48Å; S77-V81 PolarHBondContact O-N 2.7Å; I78-V81 PolarHBondContact O-N 2.84Å; V81-T91 HydrophobicContact CG2-CG2 3.53Å; V81-I221 HydrophobicContact CG2-CB 4.29Å; V81-I221 HydrophobicContact CG2-CG2 4.36Å; V81-F227 HydrophobicContact CG1-CE2 4.48Å; V81-F227 HydrophobicContact CG1-CZ 4.27Å |
| 82 | V | 83.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.3 | -42.6 | -175 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | I78 I226 F227 F230 I269 | I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.21Å; V82-I226 HydrophobicContact CG2-CG1 3.9Å; V82-I226 HydrophobicContact CG2-CG2 4.28Å; V82-F227 HydrophobicContact CB-CE1 4.17Å; V82-F227 HydrophobicContact CG1-CD1 4.07Å; V82-F227 HydrophobicContact CG1-CE1 4.04Å; V82-F227 HydrophobicContact CG2-CD1 4.29Å; V82-F227 HydrophobicContact CG2-CE1 4.12Å; V82-F227 HydrophobicContact CG2-CZ 4.44Å; V82-F230 HydrophobicContact CG2-CD2 4.16Å; V82-F230 HydrophobicContact CG2-CE2 4.28Å; V82-I269 HydrophobicContact CG1-CD1 4.13Å |
| 83 | F | 80.4 | Confident | 83.6 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -105.4 | -26.1 | -169.6 | -61.9 | -76.3 | 0 | 0 | 0 | 114.7 | Q79 E103 V105 F113 I115 F230 I269 | Q79-F83 WeakPolarHBondContact O-CD2 3.33Å; Q79-F83 PolarHBondContact O-N 2.93Å; F83-E103 VanDerWaalsContact CB-OE1 3.28Å; F83-E103 WeakPolarHBondContact CB-OE1 3.4Å; F83-V105 HydrophobicContact CD1-CG1 4.2Å; F83-V105 HydrophobicContact CD1-CG2 3.6Å; F83-V105 HydrophobicContact CE1-CG1 4.35Å; F83-V105 HydrophobicContact CE1-CG2 3.96Å; F83-V105 HydrophobicContact CG-CG2 4.17Å; F83-F113 AromaticContact CE1-CE2 3.67Å; F83-F113 HydrophobicContact CE1-CE2 3.67Å; F83-F113 AromaticContact CE1-CZ 3.47Å; F83-F113 HydrophobicContact CE1-CZ 3.47Å; F83-F113 VanDerWaalsContact CE1-CZ 3.47Å; F83-F113 AromaticContact CZ-CE2 3.72Å; F83-F113 HydrophobicContact CZ-CE2 3.72Å; F83-F113 AromaticContact CZ-CZ 3.58Å; F83-F113 HydrophobicContact CZ-CZ 3.58Å; F83-I115 HydrophobicContact CD1-CD1 4.1Å; F83-I115 HydrophobicContact CD2-CD1 3.18Å; F83-I115 HydrophobicContact CE1-CD1 3.96Å; F83-I115 HydrophobicContact CE2-CD1 3.01Å; F83-I115 HydrophobicContact CE2-CG1 4.39Å; F83-I115 HydrophobicContact CG-CD1 3.75Å; F83-I115 HydrophobicContact CZ-CD1 3.42Å; F83-I115 VanDerWaalsContact CZ-CD1 3.42Å; F83-F230 HydrophobicContact CE2-CD1 4.47Å; F83-F230 HydrophobicContact CE2-CE1 4.09Å; F83-F230 HydrophobicContact CE2-CZ 4.33Å; F83-F230 HydrophobicContact CZ-CD1 4.25Å; F83-F230 HydrophobicContact CZ-CE1 4.23Å; F83-I269 HydrophobicContact CE1-CD1 3.98Å; F83-I269 HydrophobicContact CZ-CD1 3.97Å |
| 84 | H | 79.2 | Confident | 83.3 | Confident | 112 Ų | 112 | 52.4 Ų | 52.4 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -103 | 0.6 | 178.4 | -63.5 | 74.2 | 0 | 0 | 0 | 113.1 | K80 M86 E103 | K80-H84 CarbonylContact O-C 3.46Å; K80-H84 WeakPolarHBondContact O-CA 3.45Å; K80-H84 VanDerWaalsContact O-CB 3.27Å; K80-H84 WeakPolarHBondContact O-CB 3.43Å; K80-H84 PolarHBondContact O-N 2.75Å; H84-M86 PolarHBondContact O-N 3.27Å; H84-M86 VanDerWaalsContact O-N 3.14Å; H84-E103 IonicContact CE1-OE1 3.95Å; H84-E103 PolarHBondContact CE1-OE1 3.45Å; H84-E103 IonicContact CE1-OE2 3.04Å; H84-E103 PolarHBondContact CE1-OE2 3.33Å; H84-E103 IonicContact ND1-OE1 3.12Å; H84-E103 PolarHBondContact ND1-OE1 2.91Å; H84-E103 IonicContact ND1-OE2 3.45Å; H84-E103 IonicContact NE2-OE1 2.68Å |
| 85 | K | 76.9 | Confident | 83 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | trans | 52.1 | 31.3 | -174.2 | -58.2 | -173.3 | 174.9 | -168.7 | 0 | 112.9 | K80 V266 | K80-K85 PolarHBondContact O-N 2.85Å; K85-V266 WeakPolarHBondContact CE-O 3.41Å | ||
| 86 | M | 79.2 | Confident | 82.5 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | trans | -67.8 | 138.6 | 176.1 | 179.2 | 171.4 | -86.3 | 0 | 0 | 109.7 | K80 H84 E90 T91 L94 | K80-M86 HydrophobicContact CB-CB 4.05Å; K80-M86 HydrophobicContact CB-SD 3.97Å; K80-M86 HydrophobicContact CD-CE 4Å; K80-M86 HydrophobicContact CD-SD 3.74Å; K80-M86 PolarHBondContact O-N 3.36Å; H84-M86 PolarHBondContact O-N 3.27Å; H84-M86 VanDerWaalsContact O-N 3.14Å; M86-E90 HydrophobicContact CG-CB 3.87Å; M86-E90 HydrophobicContact SD-CB 4.3Å; M86-T91 HydrophobicContact CG-CG2 4.28Å; M86-T91 HydrophobicContact SD-CG2 4.19Å; M86-L94 HydrophobicContact SD-CD2 4.13Å | ||
| 87 | S | 81.8 | Confident | 82 | Confident | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | trans | -65.3 | 138.4 | 177 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | N89 E90 T91 | S87-N89 PolarHBondContact O-N 2.78Å; S87-N89 VanDerWaalsContact O-N 3.1Å; S87-E90 PolarHBondContact N-OE2 3.25Å; S87-E90 WeakPolarHBondContact O-CB 3.46Å; S87-E90 PolarHBondContact O-N 3.01Å; S87-T91 PolarHBondContact O-N 3.49Å | ||
| 88 | P | 81.1 | Confident | 81.1 | Confident | 32 Ų | 32 | 68 Ų | 68 | 21% | 0.208 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33.8 | 177.9 | -28.3 | 36.3 | 0 | 0 | 0 | 113.4 | E90 T91 I221 Y222 | P88-E90 VanDerWaalsContact C-N 3.34Å; P88-E90 PolarHBondContact O-N 2.97Å; P88-T91 WeakPolarHBondContact O-CB 3.38Å; P88-T91 PolarHBondContact O-N 3.01Å; P88-T91 PolarHBondContact O-OG1 3Å; P88-I221 HydrophobicContact CB-CD1 4.34Å; P88-I221 HydrophobicContact CB-CG1 4.36Å; P88-I221 WeakPolarHBondContact CG-O 3.27Å; P88-Y222 HydrophobicContact CB-CD1 3.67Å; P88-Y222 HydrophobicContact CB-CE1 3.75Å |
| 89 | N | 80.8 | Confident | 80.4 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -29.9 | 178.3 | -66.9 | -30.9 | 0 | 0 | 0 | 113.2 | S87 T91 | S87-N89 PolarHBondContact O-N 2.78Å; S87-N89 VanDerWaalsContact O-N 3.1Å; N89-T91 VanDerWaalsContact C-N 3.26Å; N89-T91 PolarHBondContact O-N 3.43Å |
| 90 | E | 80.6 | Confident | 79.9 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -72.9 | -24.2 | 176.6 | -66.2 | 172.6 | 169.1 | 0 | 0 | 111.4 | M86 S87 P88 L92 F93 | M86-E90 HydrophobicContact CG-CB 3.87Å; M86-E90 HydrophobicContact SD-CB 4.3Å; S87-E90 PolarHBondContact N-OE2 3.25Å; S87-E90 WeakPolarHBondContact O-CB 3.46Å; S87-E90 PolarHBondContact O-N 3.01Å; P88-E90 VanDerWaalsContact C-N 3.34Å; P88-E90 PolarHBondContact O-N 2.97Å; E90-L92 PolarHBondContact O-N 3.42Å; E90-L92 VanDerWaalsContact O-N 3.16Å; E90-F93 PolarHBondContact O-N 3.08Å; E90-F93 VanDerWaalsContact O-N 3.13Å |
| 91 | T | 82.4 | Confident | 79.4 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -65.5 | -19.2 | -179.2 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | V81 M86 S87 P88 N89 F93 L94 I221 | V81-T91 HydrophobicContact CG2-CG2 3.53Å; M86-T91 HydrophobicContact CG-CG2 4.28Å; M86-T91 HydrophobicContact SD-CG2 4.19Å; S87-T91 PolarHBondContact O-N 3.49Å; P88-T91 WeakPolarHBondContact O-CB 3.38Å; P88-T91 PolarHBondContact O-N 3.01Å; P88-T91 PolarHBondContact O-OG1 3Å; N89-T91 VanDerWaalsContact C-N 3.26Å; N89-T91 PolarHBondContact O-N 3.43Å; T91-F93 PolarHBondContact O-N 3.46Å; T91-L94 HydrophobicContact CG2-CD1 4.26Å; T91-L94 WeakPolarHBondContact O-CB 3.26Å; T91-L94 VanDerWaalsContact O-CG 3.28Å; T91-L94 WeakPolarHBondContact O-CG 3.27Å; T91-L94 PolarHBondContact O-N 2.86Å; T91-L94 VanDerWaalsContact O-N 3.16Å; T91-I221 HydrophobicContact CG2-CD1 4.48Å; T91-I221 WeakPolarHBondContact OG1-CD1 3.46Å |
| 92 | L | 76.3 | Confident | 79.1 | Confident | 124 Ų | 124 | 82.7 Ų | 82.7 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -62 | -25.1 | 175.1 | -68.2 | 172.1 | 0 | 0 | 0 | 112.6 | E90 L94 | E90-L92 PolarHBondContact O-N 3.42Å; E90-L92 VanDerWaalsContact O-N 3.16Å; L92-L94 VanDerWaalsContact C-N 3.34Å |
| 93 | F | 81.4 | Confident | 78.8 | Confident | 176 Ų | 176 | 84.1 Ų | 84.1 | 77% | 0.772 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -92.9 | 7.8 | -179.4 | -55.5 | -70.9 | 0 | 0 | 0 | 113.1 | E90 T91 E95 | E90-F93 PolarHBondContact O-N 3.08Å; E90-F93 VanDerWaalsContact O-N 3.13Å; T91-F93 PolarHBondContact O-N 3.46Å; F93-E95 PolarHBondContact O-N 3.29Å |
| 94 | L | 81.9 | Confident | 78.3 | Confident | 45 Ų | 45 | 86.7 Ų | 86.7 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 129.2 | 177.9 | -67.1 | 174.7 | 0 | 0 | 0 | 111.4 | K80 M86 T91 L92 | K80-L94 HydrophobicContact CD-CD1 4Å; K80-L94 HydrophobicContact CD-CD2 3.51Å; K80-L94 HydrophobicContact CD-CG 4.43Å; M86-L94 HydrophobicContact SD-CD2 4.13Å; T91-L94 HydrophobicContact CG2-CD1 4.26Å; T91-L94 WeakPolarHBondContact O-CB 3.26Å; T91-L94 VanDerWaalsContact O-CG 3.28Å; T91-L94 WeakPolarHBondContact O-CG 3.27Å; T91-L94 PolarHBondContact O-N 2.86Å; T91-L94 VanDerWaalsContact O-N 3.16Å; L92-L94 VanDerWaalsContact C-N 3.34Å |
| 95 | E | 80.1 | Confident | 77.8 | Confident | 178 Ų | 178 | 82.2 Ų | 82.2 | 83% | 0.832 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 158.6 | 172.7 | -63.1 | -172.8 | 168.3 | 0 | 0 | 111.6 | F93 T97 | F93-E95 PolarHBondContact O-N 3.29Å; E95-T97 PolarHBondContact O-N 3.35Å |
| 96 | S | 78.7 | Confident | 76.9 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 124.2 | 175.5 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | R71 N98 | R71-S96 PolarHBondContact NH2-OG 3.39Å; S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact O-OD1 3.18Å |
| 97 | T | 77.4 | Confident | 75.6 | Confident | 35 Ų | 35 | 83 Ų | 83 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 117 | 173.6 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | S76 E95 K99 P119 | S76-T97 PolarHBondContact OG-OG1 2.93Å; E95-T97 PolarHBondContact O-N 3.35Å; T97-K99 WeakPolarHBondContact CG2-O 3.2Å; T97-P119 WeakPolarHBondContact O-CB 3.3Å |
| 98 | N | 72.6 | Confident | 74.2 | Confident | 127 Ų | 127 | 80.8 Ų | 80.8 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | trans | -105.8 | -12.8 | -179.5 | -64.4 | -35.8 | 0 | 0 | 0 | 113.2 | S96 | S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact O-OD1 3.18Å | ||
| 99 | K | 75.4 | Confident | 72.7 | Confident | 173 Ų | 173 | 83.3 Ų | 83.3 | 75% | 0.752 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -133.2 | 155.7 | 179.9 | -66.5 | -173.7 | 178.7 | -177.7 | 0 | 109.7 | T97 C101 | T97-K99 WeakPolarHBondContact CG2-O 3.2Å; K99-C101 PolarHBondContact O-N 3.24Å |
| 100 | I | 76.4 | Confident | 71.3 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 118.1 | 174.9 | -60.4 | 171.9 | 0 | 0 | 0 | 108.5 | R102 W116 D117 F118 I122 F129 | I100-R102 HydrophobicContact CG2-CG 4.37Å; I100-W116 HydrophobicContact CG2-CE3 4.36Å; I100-D117 WeakPolarHBondContact CA-O 3.41Å; I100-F118 HydrophobicContact CD1-CD1 3.96Å; I100-F118 HydrophobicContact CD1-CE1 3.53Å; I100-F118 HydrophobicContact CD1-CZ 4.04Å; I100-F118 HydrophobicContact CG1-CD1 4.09Å; I100-F118 HydrophobicContact CG1-CE1 4.14Å; I100-F118 HydrophobicContact CG2-CE2 4.49Å; I100-I122 HydrophobicContact CD1-CD1 4.25Å; I100-I122 HydrophobicContact CG1-CD1 3.99Å; I100-F129 HydrophobicContact CD1-CD1 4.15Å; I100-F129 HydrophobicContact CD1-CE1 3.59Å; I100-F129 HydrophobicContact CD1-CZ 4.45Å |
| 101 | C | 75.8 | Confident | 70.2 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.9 | 174.9 | -69 | 0 | 0 | 0 | 0 | 108.6 | K99 W116 D117 | K99-C101 PolarHBondContact O-N 3.24Å; C101-W116 WeakPolarHBondContact O-CA 3.45Å; C101-D117 HydrophobicContact CB-CB 4.28Å; C101-D117 PolarHBondContact N-O 2.74Å; C101-D117 VanDerWaalsContact N-O 3.15Å; C101-D117 PolarHBondContact O-N 2.86Å |
| 102 | R | 80.2 | Confident | 69.4 | Low | 139 Ų | 139 | 75.8 Ų | 75.8 | 53% | 0.525 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125 | 175.4 | -60.7 | 179.3 | -173.6 | 159.9 | 4.3 | 108.5 | I100 W116 | I100-R102 HydrophobicContact CG2-CG 4.37Å; R102-W116 HydrophobicContact CG-CD2 4.2Å; R102-W116 HydrophobicContact CG-CG 4.29Å |
| 103 | E | 75.3 | Confident | 69.3 | Low | 31 Ų | 31 | 70.1 Ų | 70.1 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.5 | 174.8 | -175.8 | 178.2 | 179.7 | 0 | 0 | 109.6 | Q79 F83 H84 V105 Q114 I115 | Q79-E103 WeakPolarHBondContact CG-OE2 3.22Å; Q79-E103 PolarHBondContact NE2-OE2 3.07Å; F83-E103 VanDerWaalsContact CB-OE1 3.28Å; F83-E103 WeakPolarHBondContact CB-OE1 3.4Å; H84-E103 IonicContact CE1-OE1 3.95Å; H84-E103 PolarHBondContact CE1-OE1 3.45Å; H84-E103 IonicContact CE1-OE2 3.04Å; H84-E103 PolarHBondContact CE1-OE2 3.33Å; H84-E103 IonicContact ND1-OE1 3.12Å; H84-E103 PolarHBondContact ND1-OE1 2.91Å; H84-E103 IonicContact ND1-OE2 3.45Å; H84-E103 IonicContact NE2-OE1 2.68Å; E103-V105 HydrophobicContact CG-CG2 4.39Å; E103-Q114 CarbonylContact O-C 3.58Å; E103-Q114 VanDerWaalsContact O-CA 3.32Å; E103-Q114 WeakPolarHBondContact O-CA 3.42Å; E103-I115 HydrophobicContact CB-CB 4.49Å; E103-I115 PolarHBondContact N-O 3.46Å; E103-I115 PolarHBondContact O-N 3.2Å |
| 104 | D | 71.7 | Confident | 69.3 | Low | 78 Ų | 78 | 62.7 Ų | 62.7 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 104.4 | 171.4 | -93.6 | -71.1 | 0 | 0 | 0 | 108.9 | K62 S106 Q114 | K62-D104 IonicContact NZ-OD1 3.88Å; K62-D104 PolarHBondContact NZ-OD1 2.94Å; D104-S106 VanDerWaalsContact C-N 3.31Å; D104-S106 PolarHBondContact O-N 2.78Å; D104-S106 VanDerWaalsContact O-N 3.1Å; D104-Q114 WeakPolarHBondContact OD1-CG 3.32Å; D104-Q114 PolarHBondContact OD1-NE2 2.66Å; D104-Q114 PolarHBondContact OD2-NE2 2.91Å |
| 105 | V | 67.5 | Low | 69.4 | Low | 19 Ų | 19 | 60.5 Ų | 60.5 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 85.7 | 167.6 | -175.1 | 0 | 0 | 0 | 0 | 106.5 | F83 E103 V111 N112 F113 I115 | F83-V105 HydrophobicContact CD1-CG1 4.2Å; F83-V105 HydrophobicContact CD1-CG2 3.6Å; F83-V105 HydrophobicContact CE1-CG1 4.35Å; F83-V105 HydrophobicContact CE1-CG2 3.96Å; F83-V105 HydrophobicContact CG-CG2 4.17Å; E103-V105 HydrophobicContact CG-CG2 4.39Å; V105-V111 VanDerWaalsContact O-O 3.07Å; V105-N112 WeakPolarHBondContact O-CA 3.39Å; V105-F113 HydrophobicContact CB-CD2 4.01Å; V105-F113 HydrophobicContact CB-CE2 3.84Å; V105-F113 HydrophobicContact CB-CZ 4.45Å; V105-F113 HydrophobicContact CG1-CE2 4.3Å; V105-F113 HydrophobicContact CG1-CZ 4.44Å; V105-F113 HydrophobicContact CG2-CD2 4.08Å; V105-F113 HydrophobicContact CG2-CE2 3.64Å; V105-F113 HydrophobicContact CG2-CZ 4.46Å; V105-F113 PolarHBondContact N-O 2.53Å; V105-F113 PolarHBondContact O-N 3.44Å; V105-I115 HydrophobicContact CG2-CD1 4.01Å; V105-I115 HydrophobicContact CG2-CG1 4.21Å |
| 106 | S | 57.8 | Low | 69.6 | Low | 58 Ų | 58 | 52.6 Ų | 52.6 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | trans | -111.9 | 5.8 | 178 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | D104 S108 N112 | D104-S106 VanDerWaalsContact C-N 3.31Å; D104-S106 PolarHBondContact O-N 2.78Å; D104-S106 VanDerWaalsContact O-N 3.1Å; S106-S108 PolarHBondContact O-N 2.82Å; S106-N112 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 107 | N | 52.4 | Low | 69.9 | Low | 114 Ų | 114 | 50 Ų | 50 | 61% | 0.61 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -79.1 | 5.8 | -176.9 | -71.1 | -7.7 | 0 | 0 | 0 | 113.2 | F335 | N107-F335 WeakPolarHBondContact O-CD1 3.07Å; N107-F335 WeakPolarHBondContact O-CE1 3.25Å; N107-F335 VanDerWaalsContact O-CG 3.29Å; N107-F335 WeakPolarHBondContact O-CG 3.5Å; N107-F335 VanDerWaalsContact O-CZ 3.23Å; N107-F335 WeakPolarHBondContact O-CZ 3.48Å |
| 108 | S | 52.5 | Low | 70 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -133.9 | 121.2 | 176 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | S106 F110 V111 N112 D264 F335 | S106-S108 PolarHBondContact O-N 2.82Å; S108-F110 PolarHBondContact O-N 3.14Å; S108-V111 PolarHBondContact O-N 3.15Å; S108-V111 VanDerWaalsContact O-N 3.13Å; S108-N112 PolarHBondContact O-OD1 3.1Å; S108-D264 WeakPolarHBondContact CB-OD1 3.47Å; S108-D264 PolarHBondContact OG-OD1 3.41Å; S108-F335 WeakPolarHBondContact OG-CB 3.18Å |
| 109 | S | 49.1 | Very low | 70.2 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 59% | 0.587 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15.6 | -179.6 | -44.6 | 0 | 0 | 0 | 0 | 113.7 | F335 | S109-F335 WeakPolarHBondContact OG-CE2 3.22Š|
| 110 | F | 51.3 | Low | 69.7 | Low | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.022 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -32.8 | -179.1 | -163.2 | -100.2 | 0 | 0 | 0 | 113.5 | S108 I238 L244 I271 L336 F368 R371 | S108-F110 PolarHBondContact O-N 3.14Å; F110-I238 HydrophobicContact CD1-CD1 4.43Å; F110-I238 HydrophobicContact CE1-CD1 3.6Å; F110-I238 HydrophobicContact CE1-CG1 3.99Å; F110-I238 HydrophobicContact CE1-CG2 3.98Å; F110-I238 HydrophobicContact CZ-CD1 4.43Å; F110-I238 HydrophobicContact CZ-CG2 3.69Å; F110-L244 HydrophobicContact CE1-CD1 4.16Å; F110-L244 HydrophobicContact CE2-CD1 4.24Å; F110-L244 HydrophobicContact CZ-CD1 3.51Å; F110-I271 HydrophobicContact CB-CD1 4.27Å; F110-I271 HydrophobicContact CD1-CB 4.22Å; F110-I271 HydrophobicContact CD1-CD1 3.44Å; F110-I271 VanDerWaalsContact CD1-CD1 3.44Å; F110-I271 HydrophobicContact CD1-CG1 3.71Å; F110-I271 HydrophobicContact CD1-CG2 3.52Å; F110-I271 HydrophobicContact CE1-CB 4.2Å; F110-I271 HydrophobicContact CE1-CD1 4.24Å; F110-I271 HydrophobicContact CE1-CG1 4.09Å; F110-I271 HydrophobicContact CE1-CG2 3.1Å; F110-I271 HydrophobicContact CG-CD1 4.14Å; F110-I271 HydrophobicContact CZ-CG2 3.93Å; F110-L336 HydrophobicContact CB-CD1 4.07Å; F110-L336 HydrophobicContact CB-CD2 4.37Å; F110-L336 HydrophobicContact CG-CD1 4.19Å; F110-F368 AromaticContact CD2-CD1 3.54Å; F110-F368 HydrophobicContact CD2-CD1 3.54Å; F110-F368 AromaticContact CD2-CE1 3Å; F110-F368 HydrophobicContact CD2-CE1 3Å; F110-F368 AromaticContact CD2-CZ 3.53Å; F110-F368 HydrophobicContact CD2-CZ 3.53Å; F110-F368 AromaticContact CE2-CD1 3.6Å; F110-F368 HydrophobicContact CE2-CD1 3.6Å; F110-F368 AromaticContact CE2-CE1 3.04Å; F110-F368 HydrophobicContact CE2-CE1 3.04Å; F110-F368 AromaticContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CG-CE1 4.13Å; F110-F368 HydrophobicContact CG-CZ 4.31Å; F110-F368 HydrophobicContact CZ-CE1 4.17Å; F110-R371 PolarHBondContact O-NH1 3.24Å |
| 111 | V | 57.2 | Low | 68.8 | Low | 15 Ų | 15 | 40 Ų | 40 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -127 | 75.5 | -168.7 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | V105 S108 F113 V234 I271 | V105-V111 VanDerWaalsContact O-O 3.07Å; S108-V111 PolarHBondContact O-N 3.15Å; S108-V111 VanDerWaalsContact O-N 3.13Å; V111-F113 HydrophobicContact CB-CE1 4.46Å; V111-F113 HydrophobicContact CG1-CD1 3.13Å; V111-F113 HydrophobicContact CG1-CE1 3.01Å; V111-F113 HydrophobicContact CG1-CG 4.3Å; V111-F113 HydrophobicContact CG1-CZ 4.09Å; V111-F113 PolarHBondContact O-N 3.15Å; V111-V234 HydrophobicContact CG1-CG1 3.97Å; V111-V234 HydrophobicContact CG2-CG1 4.37Å; V111-I271 HydrophobicContact CG2-CD1 3.72Å; V111-I271 HydrophobicContact CG2-CG1 3.77Å | ||
| 112 | N | 67.1 | Low | 68 | Low | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | trans | -91.1 | 91.8 | 170.6 | -75.1 | -15.7 | 0 | 0 | 0 | 108.8 | K62 P63 V105 S106 S108 | K62-N112 WeakPolarHBondContact CB-O 3.27Å; K62-N112 HydrophobicContact CD-CB 4.28Å; K62-N112 HydrophobicContact CG-CB 4.26Å; P63-N112 VanDerWaalsContact CD-O 3.3Å; P63-N112 WeakPolarHBondContact CD-O 3.45Å; V105-N112 WeakPolarHBondContact O-CA 3.39Å; S106-N112 WeakPolarHBondContact CA-OD1 3.29Å; S108-N112 PolarHBondContact O-OD1 3.1Å | ||
| 113 | F | 73.7 | Confident | 66.8 | Low | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 157.8 | 169.5 | 57.7 | -115.8 | 0 | 0 | 0 | 111.6 | P63 I65 F83 V105 V111 I115 V234 | P63-F113 HydrophobicContact CG-CB 4.27Å; P63-F113 WeakPolarHBondContact O-CA 3.39Å; P63-F113 WeakPolarHBondContact O-CB 3.42Å; I65-F113 HydrophobicContact CD1-CB 4.48Å; I65-F113 HydrophobicContact CD1-CD1 3.94Å; I65-F113 HydrophobicContact CD1-CD2 3.99Å; I65-F113 HydrophobicContact CD1-CE1 4.06Å; I65-F113 HydrophobicContact CD1-CE2 4.14Å; I65-F113 HydrophobicContact CD1-CG 3.92Å; I65-F113 HydrophobicContact CD1-CZ 4.19Å; I65-F113 HydrophobicContact CG1-CB 4.47Å; I65-F113 HydrophobicContact CG1-CD2 4.47Å; I65-F113 HydrophobicContact CG1-CG 4.37Å; F83-F113 AromaticContact CE1-CE2 3.67Å; F83-F113 HydrophobicContact CE1-CE2 3.67Å; F83-F113 AromaticContact CE1-CZ 3.47Å; F83-F113 HydrophobicContact CE1-CZ 3.47Å; F83-F113 VanDerWaalsContact CE1-CZ 3.47Å; F83-F113 AromaticContact CZ-CE2 3.72Å; F83-F113 HydrophobicContact CZ-CE2 3.72Å; F83-F113 AromaticContact CZ-CZ 3.58Å; F83-F113 HydrophobicContact CZ-CZ 3.58Å; V105-F113 HydrophobicContact CB-CD2 4.01Å; V105-F113 HydrophobicContact CB-CE2 3.84Å; V105-F113 HydrophobicContact CB-CZ 4.45Å; V105-F113 HydrophobicContact CG1-CE2 4.3Å; V105-F113 HydrophobicContact CG1-CZ 4.44Å; V105-F113 HydrophobicContact CG2-CD2 4.08Å; V105-F113 HydrophobicContact CG2-CE2 3.64Å; V105-F113 HydrophobicContact CG2-CZ 4.46Å; V105-F113 PolarHBondContact N-O 2.53Å; V105-F113 PolarHBondContact O-N 3.44Å; V111-F113 HydrophobicContact CB-CE1 4.46Å; V111-F113 HydrophobicContact CG1-CD1 3.13Å; V111-F113 HydrophobicContact CG1-CE1 3.01Å; V111-F113 HydrophobicContact CG1-CG 4.3Å; V111-F113 HydrophobicContact CG1-CZ 4.09Å; V111-F113 PolarHBondContact O-N 3.15Å; F113-I115 HydrophobicContact CD2-CD1 4.39Å; F113-I115 HydrophobicContact CD2-CG1 3.65Å; F113-I115 HydrophobicContact CE2-CD1 3.71Å; F113-I115 HydrophobicContact CE2-CG1 3.47Å; F113-I115 VanDerWaalsContact CE2-CG1 3.47Å; F113-V234 HydrophobicContact CD1-CG2 4.36Å; F113-V234 HydrophobicContact CE1-CG1 4.38Å; F113-V234 HydrophobicContact CE1-CG2 3.58Å; F113-V234 HydrophobicContact CZ-CG2 4.24Å |
| 114 | Q | 80.7 | Confident | 65.8 | Low | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.6 | 169.7 | -72.6 | 178.5 | -13.6 | 0 | 0 | 108.9 | K62 P63 R64 I65 E103 D104 | K62-Q114 HydrophobicContact CD-CG 4.31Å; P63-Q114 PolarHBondContact O-N 3.18Å; R64-Q114 WeakPolarHBondContact CA-O 3.46Å; R64-Q114 HydrophobicContact CG-CB 4.27Å; I65-Q114 PolarHBondContact N-O 2.93Å; E103-Q114 CarbonylContact O-C 3.58Å; E103-Q114 VanDerWaalsContact O-CA 3.32Å; E103-Q114 WeakPolarHBondContact O-CA 3.42Å; D104-Q114 WeakPolarHBondContact OD1-CG 3.32Å; D104-Q114 PolarHBondContact OD1-NE2 2.66Å; D104-Q114 PolarHBondContact OD2-NE2 2.91Å |
| 115 | I | 83.8 | Confident | 64.9 | Low | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.3 | 171.3 | -48.1 | 177.6 | 0 | 0 | 0 | 108 | I65 L67 F83 E103 V105 F113 | I65-I115 WeakPolarHBondContact O-CA 3.06Å; L67-I115 HydrophobicContact CD1-CG2 3.5Å; L67-I115 HydrophobicContact CG-CG2 4.03Å; F83-I115 HydrophobicContact CD1-CD1 4.1Å; F83-I115 HydrophobicContact CD2-CD1 3.18Å; F83-I115 HydrophobicContact CE1-CD1 3.96Å; F83-I115 HydrophobicContact CE2-CD1 3.01Å; F83-I115 HydrophobicContact CE2-CG1 4.39Å; F83-I115 HydrophobicContact CG-CD1 3.75Å; F83-I115 HydrophobicContact CZ-CD1 3.42Å; F83-I115 VanDerWaalsContact CZ-CD1 3.42Å; E103-I115 HydrophobicContact CB-CB 4.49Å; E103-I115 PolarHBondContact N-O 3.46Å; E103-I115 PolarHBondContact O-N 3.2Å; V105-I115 HydrophobicContact CG2-CD1 4.01Å; V105-I115 HydrophobicContact CG2-CG1 4.21Å; F113-I115 HydrophobicContact CD2-CD1 4.39Å; F113-I115 HydrophobicContact CD2-CG1 3.65Å; F113-I115 HydrophobicContact CE2-CD1 3.71Å; F113-I115 HydrophobicContact CE2-CG1 3.47Å; F113-I115 VanDerWaalsContact CE2-CG1 3.47Å |
| 116 | W | 85.8 | Confident | 64.4 | Low | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.3 | 175.3 | -67.3 | 27 | 0 | 0 | 0 | 108.3 | I65 L66 L67 I100 C101 R102 F118 I134 | I65-W116 PolarHBondContact O-N 3.12Å; L66-W116 HydrophobicContact CD2-CB 3.77Å; L66-W116 HydrophobicContact CD2-CD2 4.21Å; L66-W116 HydrophobicContact CD2-CE3 4.28Å; L66-W116 HydrophobicContact CD2-CG 4.03Å; L67-W116 PolarHBondContact N-O 2.72Å; I100-W116 HydrophobicContact CG2-CE3 4.36Å; C101-W116 WeakPolarHBondContact O-CA 3.45Å; R102-W116 HydrophobicContact CG-CD2 4.2Å; R102-W116 HydrophobicContact CG-CG 4.29Å; W116-F118 HydrophobicContact CB-CD2 4.33Å; W116-F118 HydrophobicContact CB-CE2 3.78Å; W116-F118 HydrophobicContact CE3-CE2 4.04Å; W116-F118 AromaticContact CE3-CZ 3.95Å; W116-F118 HydrophobicContact CE3-CZ 3.95Å; W116-I134 HydrophobicContact CE3-CG2 4.02Å; W116-I134 HydrophobicContact CH2-CG1 4.38Å; W116-I134 HydrophobicContact CZ3-CB 4.34Å; W116-I134 HydrophobicContact CZ3-CD1 4Å; W116-I134 HydrophobicContact CZ3-CG1 3.78Å; W116-I134 HydrophobicContact CZ3-CG2 3.78Å |
| 117 | D | 83.4 | Confident | 64.3 | Low | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.9 | 173.2 | -179.8 | 26.8 | 0 | 0 | 0 | 109.9 | K75 S76 I100 C101 | K75-D117 VanDerWaalsContact CB-OD1 3.3Å; K75-D117 WeakPolarHBondContact CB-OD1 3.47Å; S76-D117 WeakPolarHBondContact CB-OD2 3.45Å; S76-D117 PolarHBondContact OG-OD2 3.32Å; I100-D117 WeakPolarHBondContact CA-O 3.41Å; C101-D117 HydrophobicContact CB-CB 4.28Å; C101-D117 PolarHBondContact N-O 2.74Å; C101-D117 VanDerWaalsContact N-O 3.15Å; C101-D117 PolarHBondContact O-N 2.86Å |
| 118 | F | 80.4 | Confident | 64.6 | Low | 13 Ų | 13 | 42 Ų | 42 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -93.7 | 132.7 | -179.3 | -81.2 | -102.7 | 0 | 0 | 0 | 111.3 | L66 L67 M68 K75 I100 W116 G120 I122 I134 | L66-F118 HydrophobicContact CD2-CE2 4Å; L67-F118 PolarHBondContact O-N 3.19Å; M68-F118 HydrophobicContact CG-CD2 4.37Å; K75-F118 WeakPolarHBondContact CE-O 3.46Å; I100-F118 HydrophobicContact CD1-CD1 3.96Å; I100-F118 HydrophobicContact CD1-CE1 3.53Å; I100-F118 HydrophobicContact CD1-CZ 4.04Å; I100-F118 HydrophobicContact CG1-CD1 4.09Å; I100-F118 HydrophobicContact CG1-CE1 4.14Å; I100-F118 HydrophobicContact CG2-CE2 4.49Å; W116-F118 HydrophobicContact CB-CD2 4.33Å; W116-F118 HydrophobicContact CB-CE2 3.78Å; W116-F118 HydrophobicContact CE3-CE2 4.04Å; W116-F118 AromaticContact CE3-CZ 3.95Å; W116-F118 HydrophobicContact CE3-CZ 3.95Å; F118-G120 PolarHBondContact O-N 2.83Å; F118-I122 HydrophobicContact CD1-CD1 4.43Å; F118-I134 HydrophobicContact CZ-CD1 4.27Å; F118-I134 HydrophobicContact CZ-CG2 4.1Å |
| 119 | P | 75.9 | Confident | 65 | Low | 7 Ų | 7 | 44.5 Ų | 44.5 | 5% | 0.045 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 130.2 | 170.7 | -13.5 | 22.1 | 0 | 0 | 0 | 110.3 | T97 Q121 I122 | T97-P119 WeakPolarHBondContact O-CB 3.3Å; P119-Q121 PolarHBondContact O-N 2.88Å; P119-I122 HydrophobicContact CB-CD1 4.3Å; P119-I122 HydrophobicContact CB-CG1 3.89Å; P119-I122 VanDerWaalsContact CD-CD1 3.47Å; P119-I122 HydrophobicContact CG-CD1 3.61Å; P119-I122 HydrophobicContact CG-CG1 3.75Å; P119-I122 PolarHBondContact O-N 2.84Å; P119-I122 VanDerWaalsContact O-N 3.09Å |
| 120 | G | 65.1 | Low | 65.9 | Low | 28 Ų | 28 | 44.7 Ų | 44.7 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F118 | F118-G120 PolarHBondContact O-N 2.83Š|
| 121 | Q | 58.9 | Low | 66.8 | Low | 112 Ų | 112 | 49.1 Ų | 49.1 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -8.3 | 175.1 | -62 | 178.6 | 26.3 | 0 | 0 | 113.1 | R71 P119 D123 | R71-Q121 HydrophobicContact CG-CG 4.28Å; R71-Q121 VanDerWaalsContact NE-NE2 3.18Å; R71-Q121 VanDerWaalsContact NH1-NE2 3.2Å; P119-Q121 PolarHBondContact O-N 2.88Å; Q121-D123 PolarHBondContact O-N 2.81Å |
| 122 | I | 57.8 | Low | 67.6 | Low | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | trans | -65.3 | 117.2 | 178.1 | -67.7 | -172.8 | 0 | 0 | 0 | 107.6 | I100 F118 P119 F124 F129 | I100-I122 HydrophobicContact CD1-CD1 4.25Å; I100-I122 HydrophobicContact CG1-CD1 3.99Å; F118-I122 HydrophobicContact CD1-CD1 4.43Å; P119-I122 HydrophobicContact CB-CD1 4.3Å; P119-I122 HydrophobicContact CB-CG1 3.89Å; P119-I122 VanDerWaalsContact CD-CD1 3.47Å; P119-I122 HydrophobicContact CG-CD1 3.61Å; P119-I122 HydrophobicContact CG-CG1 3.75Å; P119-I122 PolarHBondContact O-N 2.84Å; P119-I122 VanDerWaalsContact O-N 3.09Å; I122-F124 PolarHBondContact O-N 3.35Å; I122-F129 HydrophobicContact CD1-CE1 4.39Å; I122-F129 HydrophobicContact CD1-CE2 4.29Å; I122-F129 HydrophobicContact CD1-CZ 3.93Å; I122-F129 HydrophobicContact CG2-CD2 4.45Å; I122-F129 HydrophobicContact CG2-CE2 4.38Å | ||
| 123 | D | 56 | Low | 67.9 | Low | 80 Ų | 80 | 56.6 Ų | 56.6 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | trans | -75.4 | 112 | 167.4 | -152.2 | 25.4 | 0 | 0 | 0 | 107.5 | Q121 F125 D126 R157 | Q121-D123 PolarHBondContact O-N 2.81Å; D123-F125 PolarHBondContact O-N 2.84Å; D123-F125 VanDerWaalsContact OD1-CD2 3.24Å; D123-F125 WeakPolarHBondContact OD1-CD2 3.16Å; D123-D126 PolarHBondContact O-N 3.24Å; D123-D126 VanDerWaalsContact O-N 3.07Å; D123-R157 IonicContact OD1-CZ 2.73Å; D123-R157 IonicContact OD1-NH1 2.85Å; D123-R157 PolarHBondContact OD1-NH1 3.49Å; D123-R157 VanDerWaalsContact OD1-NH1 3.12Å; D123-R157 IonicContact OD1-NH2 3.83Å | ||
| 124 | F | 54.1 | Low | 68.1 | Low | 41 Ų | 41 | 56.9 Ų | 56.9 | 18% | 0.18 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 2.2 | 179.6 | -57.8 | -67.9 | 0 | 0 | 0 | 114.1 | M68 I122 R164 | M68-F124 HydrophobicContact CE-CD1 3.87Å; M68-F124 HydrophobicContact CE-CE1 3.02Å; M68-F124 HydrophobicContact CE-CZ 3.43Å; M68-F124 VanDerWaalsContact CE-CZ 3.43Å; I122-F124 PolarHBondContact O-N 3.35Å; F124-R164 PolarHBondContact O-NH1 2.78Å |
| 125 | F | 52.2 | Low | 68.1 | Low | 101 Ų | 101 | 56.6 Ų | 56.6 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -4.2 | -178.1 | -58.8 | -95.9 | 0 | 0 | 0 | 112.5 | D123 P127 L160 | D123-F125 PolarHBondContact O-N 2.84Å; D123-F125 VanDerWaalsContact OD1-CD2 3.24Å; D123-F125 WeakPolarHBondContact OD1-CD2 3.16Å; F125-P127 VanDerWaalsContact O-CD 3.23Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å; F125-L160 HydrophobicContact CE1-CD1 4.44Å; F125-L160 HydrophobicContact CE1-CD2 4.35Å; F125-L160 HydrophobicContact CE2-CD2 3.49Å; F125-L160 VanDerWaalsContact CE2-CD2 3.49Å; F125-L160 HydrophobicContact CZ-CD1 4Å; F125-L160 HydrophobicContact CZ-CD2 3.27Å; F125-L160 HydrophobicContact CZ-CG 4.24Å |
| 126 | D | 57.8 | Low | 68 | Low | 72 Ų | 72 | 64.8 Ų | 64.8 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | trans | -71.9 | 115.5 | 175.4 | -162.8 | -31.9 | 0 | 0 | 0 | 109.8 | D123 T128 F129 | D123-D126 PolarHBondContact O-N 3.24Å; D123-D126 VanDerWaalsContact O-N 3.07Å; D126-T128 PolarHBondContact O-N 3.44Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 VanDerWaalsContact OD1-CG2 3.26Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.46Å; D126-T128 PolarHBondContact OD1-N 3.09Å; D126-T128 PolarHBondContact OD1-OG1 3.05Å; D126-T128 PolarHBondContact OD2-OG1 2.91Å; D126-F129 PolarHBondContact O-N 3.16Å | ||
| 127 | P | 55.3 | Low | 67.5 | Low | 119 Ų | 119 | 65.2 Ų | 65.2 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -5.3 | -179.8 | 27.5 | -34.7 | 0 | 0 | 0 | 113.7 | F125 F129 | F125-P127 VanDerWaalsContact O-CD 3.23Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-F129 VanDerWaalsContact C-N 3.29Å |
| 128 | T | 57.6 | Low | 67.6 | Low | 95 Ų | 95 | 65.4 Ų | 65.4 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -19.1 | 174.2 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | D126 | D126-T128 PolarHBondContact O-N 3.44Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 VanDerWaalsContact OD1-CG2 3.26Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.46Å; D126-T128 PolarHBondContact OD1-N 3.09Å; D126-T128 PolarHBondContact OD1-OG1 3.05Å; D126-T128 PolarHBondContact OD2-OG1 2.91Å |
| 129 | F | 62.1 | Low | 67.8 | Low | 55 Ų | 55 | 65.6 Ų | 65.6 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -97 | 122.1 | 176.4 | -78.5 | -82.7 | 0 | 0 | 0 | 111.5 | I100 I122 D126 P127 Y131 | I100-F129 HydrophobicContact CD1-CD1 4.15Å; I100-F129 HydrophobicContact CD1-CE1 3.59Å; I100-F129 HydrophobicContact CD1-CZ 4.45Å; I122-F129 HydrophobicContact CD1-CE1 4.39Å; I122-F129 HydrophobicContact CD1-CE2 4.29Å; I122-F129 HydrophobicContact CD1-CZ 3.93Å; I122-F129 HydrophobicContact CG2-CD2 4.45Å; I122-F129 HydrophobicContact CG2-CE2 4.38Å; D126-F129 PolarHBondContact O-N 3.16Å; P127-F129 VanDerWaalsContact C-N 3.29Å; F129-Y131 WeakPolarHBondContact O-CD1 3.31Å; F129-Y131 PolarHBondContact O-N 2.98Å |
| 130 | D | 67.2 | Low | 68.5 | Low | 89 Ų | 89 | 65.2 Ų | 65.2 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | trans | -78.8 | 68.3 | 176.7 | -158.4 | -12.3 | 0 | 0 | 0 | 111.3 | E132 M133 I134 | D130-E132 PolarHBondContact O-N 3.27Å; D130-M133 HydrophobicContact CB-CB 4.33Å; D130-M133 PolarHBondContact O-N 3.39Å; D130-M133 VanDerWaalsContact O-N 3.13Å; D130-I134 WeakPolarHBondContact O-CG1 3.42Å; D130-I134 PolarHBondContact O-N 3.25Å | ||
| 131 | Y | 71.6 | Confident | 69.8 | Low | 97 Ų | 97 | 64 Ų | 64 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.8 | -28.8 | -176.1 | 50.1 | -96.8 | 0 | 0 | 0 | 112.8 | F129 I134 F135 | F129-Y131 WeakPolarHBondContact O-CD1 3.31Å; F129-Y131 PolarHBondContact O-N 2.98Å; Y131-I134 PolarHBondContact O-N 2.92Å; Y131-F135 WeakPolarHBondContact O-CD2 3.28Å; Y131-F135 WeakPolarHBondContact O-CG 3.5Å; Y131-F135 PolarHBondContact O-N 3.44Å |
| 132 | E | 72.3 | Confident | 71.5 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 41% | 0.407 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.1 | -68.7 | -163.7 | -178.9 | 0 | 0 | 111.5 | D130 I134 R136 V168 | D130-E132 PolarHBondContact O-N 3.27Å; E132-I134 VanDerWaalsContact C-N 3.3Å; E132-I134 PolarHBondContact O-N 3.43Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.24Å; E132-R136 WeakPolarHBondContact O-CG 3.44Å; E132-R136 PolarHBondContact O-N 3.22Å; E132-R136 VanDerWaalsContact O-N 3.11Å; E132-R136 IonicContact OE2-NH2 3.28Å; E132-V168 HydrophobicContact CB-CG1 4.46Å; E132-V168 HydrophobicContact CG-CG2 4.13Å; E132-V168 WeakPolarHBondContact O-CG1 3.3Å |
| 133 | M | 73.6 | Confident | 73.3 | Confident | 126 Ų | 126 | 57.3 Ų | 57.3 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.9 | -34.3 | 177.8 | -170.4 | 175.8 | -176.4 | 0 | 0 | 112 | D130 | D130-M133 HydrophobicContact CB-CB 4.33Å; D130-M133 PolarHBondContact O-N 3.39Å; D130-M133 VanDerWaalsContact O-N 3.13Å |
| 134 | I | 78.8 | Confident | 75.1 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -55.4 | 178 | -61.7 | 174.9 | 0 | 0 | 0 | 110 | L66 W116 F118 D130 Y131 E132 R136 G137 T138 | L66-I134 HydrophobicContact CD1-CG2 4.07Å; L66-I134 HydrophobicContact CD2-CG2 4.19Å; W116-I134 HydrophobicContact CE3-CG2 4.02Å; W116-I134 HydrophobicContact CH2-CG1 4.38Å; W116-I134 HydrophobicContact CZ3-CB 4.34Å; W116-I134 HydrophobicContact CZ3-CD1 4Å; W116-I134 HydrophobicContact CZ3-CG1 3.78Å; W116-I134 HydrophobicContact CZ3-CG2 3.78Å; F118-I134 HydrophobicContact CZ-CD1 4.27Å; F118-I134 HydrophobicContact CZ-CG2 4.1Å; D130-I134 WeakPolarHBondContact O-CG1 3.42Å; D130-I134 PolarHBondContact O-N 3.25Å; Y131-I134 PolarHBondContact O-N 2.92Å; E132-I134 VanDerWaalsContact C-N 3.3Å; E132-I134 PolarHBondContact O-N 3.43Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.38Å; I134-G137 PolarHBondContact O-N 3.11Å; I134-T138 PolarHBondContact O-OG1 3.04Å; I134-T138 VanDerWaalsContact O-OG1 3.1Å |
| 135 | F | 80.9 | Confident | 77.1 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.3 | -28.1 | -175.5 | -66.2 | -50.1 | 0 | 0 | 0 | 113.6 | L66 M68 Y131 G137 T138 L141 A165 V168 N169 I172 | L66-F135 HydrophobicContact CD1-CD1 3.64Å; L66-F135 HydrophobicContact CD1-CE1 3.61Å; M68-F135 HydrophobicContact CE-CZ 4.3Å; M68-F135 HydrophobicContact SD-CE1 4.13Å; M68-F135 HydrophobicContact SD-CZ 4.46Å; Y131-F135 WeakPolarHBondContact O-CD2 3.28Å; Y131-F135 WeakPolarHBondContact O-CG 3.5Å; Y131-F135 PolarHBondContact O-N 3.44Å; F135-G137 PolarHBondContact O-N 3.06Å; F135-T138 PolarHBondContact O-N 3.16Å; F135-L141 HydrophobicContact CE1-CD1 3.96Å; F135-A165 HydrophobicContact CD1-CB 4.1Å; F135-A165 HydrophobicContact CE1-CB 4.21Å; F135-A165 HydrophobicContact CG-CB 4.28Å; F135-A165 HydrophobicContact CZ-CB 4.47Å; F135-V168 HydrophobicContact CB-CB 4.11Å; F135-V168 HydrophobicContact CB-CG1 3.92Å; F135-N169 PolarHBondContact O-ND2 2.63Å; F135-I172 HydrophobicContact CB-CD1 4.26Å |
| 136 | R | 80.8 | Confident | 79 | Confident | 172 Ų | 172 | 47.9 Ų | 47.9 | 65% | 0.649 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61 | -30.2 | 174.2 | -81 | -179.4 | -171 | -177.9 | 10.8 | 113.7 | E132 I134 V168 | E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.24Å; E132-R136 WeakPolarHBondContact O-CG 3.44Å; E132-R136 PolarHBondContact O-N 3.22Å; E132-R136 VanDerWaalsContact O-N 3.11Å; E132-R136 IonicContact OE2-NH2 3.28Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.38Å; R136-V168 HydrophobicContact CG-CG1 3.69Å |
| 137 | G | 76.4 | Confident | 80.6 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 22% | 0.216 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 0.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R64 I134 F135 | R64-G137 WeakPolarHBondContact CG-O 3.2Å; I134-G137 PolarHBondContact O-N 3.11Å; F135-G137 PolarHBondContact O-N 3.06Å |
| 138 | T | 84.3 | Confident | 82.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133 | -174.6 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | L66 I134 F135 A140 N169 I172 | L66-T138 HydrophobicContact CD1-CG2 3.8Å; L66-T138 VanDerWaalsContact CD1-OG1 3.26Å; L66-T138 WeakPolarHBondContact CD1-OG1 3.44Å; L66-T138 HydrophobicContact CG-CG2 3.64Å; L66-T138 WeakPolarHBondContact CG-OG1 3.06Å; I134-T138 PolarHBondContact O-OG1 3.04Å; I134-T138 VanDerWaalsContact O-OG1 3.1Å; F135-T138 PolarHBondContact O-N 3.16Å; T138-A140 WeakPolarHBondContact CG2-O 3.03Å; T138-N169 PolarHBondContact O-ND2 3.09Å; T138-I172 HydrophobicContact CG2-CG2 4.37Å |
| 139 | G | 85.5 | Confident | 83.7 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -35.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R64 N173 L237 | R64-G139 PolarHBondContact O-N 2.87Å; G139-N173 PolarHBondContact O-N 3.48Å; G139-L237 WeakPolarHBondContact O-CD2 3.38Å |
| 140 | A | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R64 I65 L66 T138 N173 V233 L237 | R64-A140 PolarHBondContact O-N 3.04Å; I65-A140 WeakPolarHBondContact CA-O 3.45Å; L66-A140 PolarHBondContact N-O 2.85Å; T138-A140 WeakPolarHBondContact CG2-O 3.03Å; A140-N173 CarbonylContact C-O 3.59Å; A140-N173 WeakPolarHBondContact CA-O 3.5Å; A140-N173 HydrophobicContact CB-CB 4.19Å; A140-V233 HydrophobicContact CB-CG1 3.81Å; A140-L237 HydrophobicContact CB-CD1 4.09Å; A140-L237 HydrophobicContact CB-CD2 3.88Å; A140-L237 HydrophobicContact CB-CG 4.25Å |
| 141 | L | 92.6 | Very high | 86 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.2 | 173.3 | -172.7 | 156.5 | 0 | 0 | 0 | 108 | M68 F135 F143 T161 A165 I172 N173 F174 E175 | M68-L141 HydrophobicContact SD-CD1 3.62Å; M68-L141 HydrophobicContact SD-CD2 4.32Å; M68-L141 HydrophobicContact SD-CG 3.92Å; F135-L141 HydrophobicContact CE1-CD1 3.96Å; L141-F143 HydrophobicContact CD2-CB 4.19Å; L141-T161 HydrophobicContact CD1-CG2 3.95Å; L141-T161 HydrophobicContact CD2-CG2 4.47Å; L141-A165 HydrophobicContact CD1-CB 4.05Å; L141-I172 HydrophobicContact CB-CG2 3.92Å; L141-N173 PolarHBondContact N-O 3.07Å; L141-F174 HydrophobicContact CB-CD1 4.19Å; L141-F174 HydrophobicContact CB-CE1 4.43Å; L141-F174 HydrophobicContact CD1-CE1 4.29Å; L141-F174 HydrophobicContact CD2-CD1 4.43Å; L141-E175 PolarHBondContact O-N 3.07Å |
| 142 | I | 94.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.9 | 175.3 | -59.2 | 173.9 | 0 | 0 | 0 | 107.9 | I65 L66 L67 M68 V144 E175 F177 F230 V233 | I65-I142 HydrophobicContact CG2-CD1 3.5Å; I65-I142 HydrophobicContact CG2-CG1 3.97Å; L66-I142 PolarHBondContact O-N 2.79Å; L67-I142 HydrophobicContact CD2-CB 3.83Å; L67-I142 HydrophobicContact CD2-CD1 4.06Å; L67-I142 HydrophobicContact CD2-CG2 3.79Å; M68-I142 PolarHBondContact N-O 2.95Å; I142-V144 HydrophobicContact CG2-CG2 4.28Å; I142-E175 CarbonylContact C-O 3.49Å; I142-E175 VanDerWaalsContact CA-O 3.28Å; I142-E175 WeakPolarHBondContact CA-O 3.48Å; I142-E175 HydrophobicContact CG1-CB 4.28Å; I142-F177 HydrophobicContact CD1-CE2 4.18Å; I142-F177 HydrophobicContact CD1-CZ 3.98Å; I142-F177 HydrophobicContact CG1-CZ 4.46Å; I142-F177 HydrophobicContact CG2-CB 4.41Å; I142-F177 HydrophobicContact CG2-CD1 3.93Å; I142-F177 HydrophobicContact CG2-CD2 3.54Å; I142-F177 HydrophobicContact CG2-CE1 4.02Å; I142-F177 HydrophobicContact CG2-CE2 3.64Å; I142-F177 HydrophobicContact CG2-CG 3.69Å; I142-F177 HydrophobicContact CG2-CZ 3.89Å; I142-F230 HydrophobicContact CD1-CD1 4.3Å; I142-F230 HydrophobicContact CD1-CE1 3.69Å; I142-F230 HydrophobicContact CD1-CZ 3.92Å; I142-V233 HydrophobicContact CD1-CG1 4.1Å; I142-V233 HydrophobicContact CD1-CG2 4.35Å; I142-V233 HydrophobicContact CG1-CG1 4.24Å; I142-V233 HydrophobicContact CG1-CG2 4.46Å |
| 143 | F | 94.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.5 | 174.7 | -163.5 | -85.5 | 0 | 0 | 0 | 110.5 | M68 L141 I145 A154 R157 L158 E175 V176 F177 | M68-F143 HydrophobicContact CB-CD2 4.08Å; M68-F143 CarbonylContact O-C 3.56Å; M68-F143 WeakPolarHBondContact O-CA 3.34Å; L141-F143 HydrophobicContact CD2-CB 4.19Å; F143-I145 HydrophobicContact CD1-CD1 4.4Å; F143-I145 HydrophobicContact CD1-CG1 3.75Å; F143-I145 HydrophobicContact CE1-CG1 3.92Å; F143-A154 HydrophobicContact CE1-CB 4.49Å; F143-A154 WeakPolarHBondContact CE1-O 3.4Å; F143-A154 WeakPolarHBondContact CZ-O 3.5Å; F143-R157 HydrophobicContact CZ-CB 4.06Å; F143-L158 HydrophobicContact CB-CD1 3.57Å; F143-L158 HydrophobicContact CD1-CB 3.96Å; F143-L158 HydrophobicContact CD1-CD1 3.78Å; F143-L158 HydrophobicContact CD1-CG 4.37Å; F143-L158 HydrophobicContact CD2-CB 4.48Å; F143-L158 HydrophobicContact CD2-CD1 3.97Å; F143-L158 HydrophobicContact CE1-CB 3.78Å; F143-L158 HydrophobicContact CE1-CD1 4.46Å; F143-L158 HydrophobicContact CE2-CB 4.32Å; F143-L158 HydrophobicContact CG-CB 4.3Å; F143-L158 HydrophobicContact CG-CD1 3.5Å; F143-L158 VanDerWaalsContact CG-CD1 3.5Å; F143-L158 HydrophobicContact CG-CG 4.48Å; F143-L158 HydrophobicContact CZ-CB 3.97Å; F143-E175 PolarHBondContact N-O 3.08Å; F143-V176 CarbonylContact O-C 3.54Å; F143-V176 WeakPolarHBondContact O-CA 3.34Å; F143-F177 PolarHBondContact O-N 3.45Å |
| 144 | V | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.7 | -175.3 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | L67 M68 S73 K75 I78 I142 F177 H179 | L67-V144 HydrophobicContact CD2-CG2 4.43Å; M68-V144 PolarHBondContact O-N 2.94Å; S73-V144 WeakPolarHBondContact CB-O 3.41Å; S73-V144 WeakPolarHBondContact O-CG1 3.29Å; S73-V144 PolarHBondContact OG-O 2.86Å; K75-V144 HydrophobicContact CG-CB 4.07Å; K75-V144 HydrophobicContact CG-CG2 3.91Å; I78-V144 HydrophobicContact CD1-CG1 3.92Å; I78-V144 HydrophobicContact CD1-CG2 4.01Å; I142-V144 HydrophobicContact CG2-CG2 4.28Å; V144-F177 HydrophobicContact CG2-CB 4.43Å; V144-H179 HydrophobicContact CG1-CB 3.66Å |
| 145 | I | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.3 | 175.6 | -57.7 | -178.1 | 0 | 0 | 0 | 108.5 | F143 A154 L155 L158 V176 F177 H179 I196 | F143-I145 HydrophobicContact CD1-CD1 4.4Å; F143-I145 HydrophobicContact CD1-CG1 3.75Å; F143-I145 HydrophobicContact CE1-CG1 3.92Å; I145-A154 HydrophobicContact CG1-CB 4.31Å; I145-A154 HydrophobicContact CG2-CB 4.04Å; I145-L155 HydrophobicContact CD1-CD2 4.14Å; I145-L158 HydrophobicContact CD1-CD2 4.36Å; I145-V176 HydrophobicContact CD1-CG1 3.6Å; I145-V176 HydrophobicContact CG1-CG1 4.07Å; I145-F177 PolarHBondContact N-O 2.96Å; I145-H179 WeakPolarHBondContact O-CB 3.25Å; I145-H179 PolarHBondContact O-N 3.07Å; I145-I196 HydrophobicContact CD1-CG2 4.1Å; I145-I196 HydrophobicContact CG2-CD1 4.24Å |
| 146 | D | 93.4 | Very high | 89.6 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.6 | 171.8 | -165.3 | -20.9 | 0 | 0 | 0 | 109.4 | Q148 D149 K180 | D146-Q148 PolarHBondContact OD1-N 3.27Å; D146-D149 HydrophobicContact CB-CB 4.33Å; D146-K180 WeakPolarHBondContact OD1-CD 3.45Å; D146-K180 WeakPolarHBondContact OD2-CE 3.36Å; D146-K180 IonicContact OD2-NZ 2.63Å; D146-K180 PolarHBondContact OD2-NZ 3.34Å |
| 147 | S | 91.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -83.4 | -10.9 | 179.7 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | H179 K180 L184 | S147-H179 WeakPolarHBondContact CB-O 3.46Å; S147-H179 PolarHBondContact N-O 3.43Å; S147-H179 PolarHBondContact OG-O 3.31Å; S147-K180 PolarHBondContact OG-O 3.47Å; S147-L184 WeakPolarHBondContact OG-CD1 3.37Å |
| 148 | Q | 89.4 | Confident | 90.7 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -92.5 | -13.1 | 178.7 | -60.4 | -174.9 | 3.7 | 0 | 0 | 113.1 | D146 K180 | D146-Q148 PolarHBondContact OD1-N 3.27Å; Q148-K180 HydrophobicContact CG-CB 4.08Å; Q148-K180 WeakPolarHBondContact CG-O 3.1Å; Q148-K180 PolarHBondContact NE2-O 3.16Å |
| 149 | D | 88.7 | Confident | 90.9 | Very high | 118 Ų | 118 | 40.1 Ų | 40.1 | 63% | 0.631 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -110.4 | 172.4 | 178.9 | -156.7 | -2.2 | 0 | 0 | 0 | 110.9 | D146 Y151 | D146-D149 HydrophobicContact CB-CB 4.33Å; D149-Y151 PolarHBondContact O-N 2.94Å; D149-Y151 VanDerWaalsContact O-N 3.09Å |
| 150 | D | 88.6 | Confident | 91.1 | Very high | 107 Ų | 107 | 41.5 Ų | 41.5 | 57% | 0.572 | 21% | 0.212 | S | C | * | . | trans | -66.6 | 108.4 | 174.2 | -174 | 4.7 | 0 | 0 | 0 | 110.9 | M152 | D150-M152 VanDerWaalsContact C-N 3.32Å; D150-M152 PolarHBondContact O-N 3.46Å; D150-M152 WeakPolarHBondContact OD1-CB 3.28Å; D150-M152 WeakPolarHBondContact OD1-CG 3.48Å; D150-M152 PolarHBondContact OD1-N 3.3Å; D150-M152 VanDerWaalsContact OD1-N 3.11Å | ||
| 151 | Y | 89.4 | Confident | 90.9 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 18% | 0.18 | 21% | 0.213 | C | C | . | . | trans | -83.5 | -0 | -177 | 52.5 | -100.4 | 0 | 0 | 0 | 113.9 | D149 E153 A154 L155 T192 D195 I196 | D149-Y151 PolarHBondContact O-N 2.94Å; D149-Y151 VanDerWaalsContact O-N 3.09Å; Y151-E153 PolarHBondContact O-N 3.07Å; Y151-A154 WeakPolarHBondContact O-CB 3.41Å; Y151-A154 PolarHBondContact O-N 3.48Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; Y151-L155 HydrophobicContact CD2-CD1 3.77Å; Y151-L155 HydrophobicContact CD2-CG 4.32Å; Y151-L155 HydrophobicContact CE2-CD1 4.23Å; Y151-L155 WeakPolarHBondContact O-CG 3.32Å; Y151-L155 PolarHBondContact O-N 3.28Å; Y151-T192 HydrophobicContact CE1-CG2 4.32Å; Y151-D195 PolarHBondContact OH-OD2 3.1Å; Y151-I196 HydrophobicContact CD1-CD1 4.37Å; Y151-I196 HydrophobicContact CD2-CD1 4.44Å; Y151-I196 HydrophobicContact CD2-CG1 3.97Å; Y151-I196 HydrophobicContact CE2-CG1 4.06Å; Y151-I196 HydrophobicContact CG-CD1 4.23Å; Y151-I196 HydrophobicContact CG-CG1 4.25Å | ||
| 152 | M | 89.8 | Confident | 90.8 | Very high | 96 Ų | 96 | 41.8 Ų | 41.8 | 47% | 0.473 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.7 | -43.4 | -179.9 | -69.5 | -72.5 | -95.8 | 0 | 0 | 112.3 | D150 A154 L155 A156 | D150-M152 VanDerWaalsContact C-N 3.32Å; D150-M152 PolarHBondContact O-N 3.46Å; D150-M152 WeakPolarHBondContact OD1-CB 3.28Å; D150-M152 WeakPolarHBondContact OD1-CG 3.48Å; D150-M152 PolarHBondContact OD1-N 3.3Å; D150-M152 VanDerWaalsContact OD1-N 3.11Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 2.77Å; M152-L155 PolarHBondContact O-N 3.47Å; M152-A156 PolarHBondContact O-N 3.38Å |
| 153 | E | 89.8 | Confident | 90.5 | Very high | 121 Ų | 121 | 42.7 Ų | 42.7 | 57% | 0.565 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.8 | -33.9 | 174.6 | -176 | 167.4 | 177.5 | 0 | 0 | 111.7 | L70 Y151 A156 R157 | L70-E153 HydrophobicContact CD1-CB 4.35Å; L70-E153 HydrophobicContact CD1-CG 4.43Å; L70-E153 HydrophobicContact CD2-CG 4.4Å; Y151-E153 PolarHBondContact O-N 3.07Å; E153-A156 PolarHBondContact O-N 3.08Å; E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 3.21Å |
| 154 | A | 90.9 | Very high | 90 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L70 F143 I145 Y151 M152 R157 L158 | L70-A154 HydrophobicContact CD1-CB 3.64Å; L70-A154 HydrophobicContact CG-CB 3.99Å; F143-A154 HydrophobicContact CE1-CB 4.49Å; F143-A154 WeakPolarHBondContact CE1-O 3.4Å; F143-A154 WeakPolarHBondContact CZ-O 3.5Å; I145-A154 HydrophobicContact CG1-CB 4.31Å; I145-A154 HydrophobicContact CG2-CB 4.04Å; Y151-A154 WeakPolarHBondContact O-CB 3.41Å; Y151-A154 PolarHBondContact O-N 3.48Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 2.77Å; A154-R157 PolarHBondContact O-N 3.31Å; A154-L158 WeakPolarHBondContact O-CB 3.3Å; A154-L158 PolarHBondContact O-N 3.05Å |
| 155 | L | 91.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 175.9 | -73.7 | 175.7 | 0 | 0 | 0 | 112 | I145 Y151 M152 R157 L158 H159 I196 R199 A200 | I145-L155 HydrophobicContact CD1-CD2 4.14Å; Y151-L155 HydrophobicContact CD2-CD1 3.77Å; Y151-L155 HydrophobicContact CD2-CG 4.32Å; Y151-L155 HydrophobicContact CE2-CD1 4.23Å; Y151-L155 WeakPolarHBondContact O-CG 3.32Å; Y151-L155 PolarHBondContact O-N 3.28Å; M152-L155 PolarHBondContact O-N 3.47Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.95Å; L155-L158 HydrophobicContact CD2-CD2 4.29Å; L155-L158 WeakPolarHBondContact O-CB 3.22Å; L155-L158 PolarHBondContact O-N 3.47Å; L155-H159 PolarHBondContact O-N 3.18Å; L155-I196 HydrophobicContact CD2-CG2 4.15Å; L155-R199 HydrophobicContact CD1-CB 3.89Å; L155-A200 HydrophobicContact CD2-CB 4.09Å |
| 156 | A | 89.5 | Confident | 89.4 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | M152 E153 L160 | M152-A156 PolarHBondContact O-N 3.38Å; E153-A156 PolarHBondContact O-N 3.08Å; A156-L160 PolarHBondContact O-N 3.2Å |
| 157 | R | 88.3 | Confident | 89.1 | Confident | 71 Ų | 71 | 55 Ų | 55 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 175.5 | -72.5 | -75.8 | -171.2 | 162.5 | -3.4 | 112.4 | L70 D123 F143 E153 A154 L155 T161 | L70-R157 HydrophobicContact CD2-CB 4.34Å; L70-R157 HydrophobicContact CD2-CG 3.92Å; D123-R157 IonicContact OD1-CZ 2.73Å; D123-R157 IonicContact OD1-NH1 2.85Å; D123-R157 PolarHBondContact OD1-NH1 3.49Å; D123-R157 VanDerWaalsContact OD1-NH1 3.12Å; D123-R157 IonicContact OD1-NH2 3.83Å; F143-R157 HydrophobicContact CZ-CB 4.06Å; E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 3.21Å; A154-R157 PolarHBondContact O-N 3.31Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.95Å; R157-T161 WeakPolarHBondContact O-CB 3.41Å; R157-T161 PolarHBondContact O-N 3.15Å; R157-T161 PolarHBondContact O-OG1 3.04Å |
| 158 | L | 91.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -53.3 | 173.5 | 171.2 | 67.8 | 0 | 0 | 0 | 109.7 | F143 I145 A154 L155 L160 T161 V162 V176 A200 | F143-L158 HydrophobicContact CB-CD1 3.57Å; F143-L158 HydrophobicContact CD1-CB 3.96Å; F143-L158 HydrophobicContact CD1-CD1 3.78Å; F143-L158 HydrophobicContact CD1-CG 4.37Å; F143-L158 HydrophobicContact CD2-CB 4.48Å; F143-L158 HydrophobicContact CD2-CD1 3.97Å; F143-L158 HydrophobicContact CE1-CB 3.78Å; F143-L158 HydrophobicContact CE1-CD1 4.46Å; F143-L158 HydrophobicContact CE2-CB 4.32Å; F143-L158 HydrophobicContact CG-CB 4.3Å; F143-L158 HydrophobicContact CG-CD1 3.5Å; F143-L158 VanDerWaalsContact CG-CD1 3.5Å; F143-L158 HydrophobicContact CG-CG 4.48Å; F143-L158 HydrophobicContact CZ-CB 3.97Å; I145-L158 HydrophobicContact CD1-CD2 4.36Å; A154-L158 WeakPolarHBondContact O-CB 3.3Å; A154-L158 PolarHBondContact O-N 3.05Å; L155-L158 HydrophobicContact CD2-CD2 4.29Å; L155-L158 WeakPolarHBondContact O-CB 3.22Å; L155-L158 PolarHBondContact O-N 3.47Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 3.32Å; L158-T161 PolarHBondContact O-N 3.32Å; L158-T161 VanDerWaalsContact O-N 3.09Å; L158-V162 HydrophobicContact CD1-CG2 3.68Å; L158-V162 HydrophobicContact CG-CG2 4.21Å; L158-V162 WeakPolarHBondContact O-CG2 3.13Å; L158-V162 PolarHBondContact O-N 3.2Å; L158-V176 HydrophobicContact CD1-CG2 4.03Å; L158-V176 HydrophobicContact CD2-CG2 4.01Å; L158-A200 HydrophobicContact CD2-CB 4.18Å |
| 159 | H | 90 | Very high | 88.6 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.8 | -47.1 | -179 | 179.2 | 77.6 | 0 | 0 | 0 | 112.3 | L155 T161 T163 D203 | L155-H159 PolarHBondContact O-N 3.18Å; H159-T161 PolarHBondContact O-N 3.16Å; H159-T163 VanDerWaalsContact O-CB 3.29Å; H159-T163 WeakPolarHBondContact O-CB 3.33Å; H159-T163 PolarHBondContact O-N 2.7Å; H159-T163 PolarHBondContact O-OG1 3.28Å; H159-D203 PolarHBondContact CE1-O 2.89Å; H159-D203 PolarHBondContact ND1-O 3.04Å |
| 160 | L | 88.2 | Confident | 88.4 | Confident | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 176.3 | 177.1 | 71.1 | 0 | 0 | 0 | 112.2 | F125 A156 L158 R164 | F125-L160 HydrophobicContact CE1-CD1 4.44Å; F125-L160 HydrophobicContact CE1-CD2 4.35Å; F125-L160 HydrophobicContact CE2-CD2 3.49Å; F125-L160 VanDerWaalsContact CE2-CD2 3.49Å; F125-L160 HydrophobicContact CZ-CD1 4Å; F125-L160 HydrophobicContact CZ-CD2 3.27Å; F125-L160 HydrophobicContact CZ-CG 4.24Å; A156-L160 PolarHBondContact O-N 3.2Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 3.32Å; L160-R164 WeakPolarHBondContact O-CG 3.02Å; L160-R164 PolarHBondContact O-N 3.27Å |
| 161 | T | 88.4 | Confident | 88.3 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -48.2 | -177.2 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | M68 L141 R157 L158 H159 R164 A165 | M68-T161 HydrophobicContact CE-CG2 3.82Å; M68-T161 HydrophobicContact SD-CG2 3.7Å; L141-T161 HydrophobicContact CD1-CG2 3.95Å; L141-T161 HydrophobicContact CD2-CG2 4.47Å; R157-T161 WeakPolarHBondContact O-CB 3.41Å; R157-T161 PolarHBondContact O-N 3.15Å; R157-T161 PolarHBondContact O-OG1 3.04Å; L158-T161 PolarHBondContact O-N 3.32Å; L158-T161 VanDerWaalsContact O-N 3.09Å; H159-T161 PolarHBondContact O-N 3.16Å; T161-R164 PolarHBondContact O-N 3.02Å; T161-A165 WeakPolarHBondContact O-CB 3.23Å; T161-A165 PolarHBondContact O-N 2.87Å |
| 162 | V | 89.7 | Confident | 88.3 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 179 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L158 R164 A165 Y166 F174 L204 I212 L214 | L158-V162 HydrophobicContact CD1-CG2 3.68Å; L158-V162 HydrophobicContact CG-CG2 4.21Å; L158-V162 WeakPolarHBondContact O-CG2 3.13Å; L158-V162 PolarHBondContact O-N 3.2Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 2.9Å; V162-A165 PolarHBondContact O-N 2.79Å; V162-Y166 VanDerWaalsContact O-CB 3.27Å; V162-Y166 WeakPolarHBondContact O-CB 3.35Å; V162-Y166 PolarHBondContact O-N 2.88Å; V162-F174 HydrophobicContact CB-CD1 4.36Å; V162-F174 HydrophobicContact CB-CE1 4.26Å; V162-F174 HydrophobicContact CG1-CD1 4.12Å; V162-F174 HydrophobicContact CG1-CD2 4.43Å; V162-F174 HydrophobicContact CG1-CE1 4.05Å; V162-F174 HydrophobicContact CG1-CE2 4.37Å; V162-F174 HydrophobicContact CG1-CG 4.3Å; V162-F174 HydrophobicContact CG1-CZ 4.17Å; V162-F174 HydrophobicContact CG2-CD1 3.85Å; V162-F174 HydrophobicContact CG2-CE1 4.18Å; V162-F174 HydrophobicContact CG2-CG 4.47Å; V162-L204 HydrophobicContact CG1-CD2 4.03Å; V162-I212 HydrophobicContact CG1-CD1 3.82Å; V162-I212 HydrophobicContact CG1-CG2 3.9Å; V162-L214 HydrophobicContact CG1-CD2 4.43Å; V162-L214 HydrophobicContact CG2-CD2 4.22Å |
| 163 | T | 88 | Confident | 88.4 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -39.1 | 179.7 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | H159 K167 L209 | H159-T163 VanDerWaalsContact O-CB 3.29Å; H159-T163 WeakPolarHBondContact O-CB 3.33Å; H159-T163 PolarHBondContact O-N 2.7Å; H159-T163 PolarHBondContact O-OG1 3.28Å; T163-K167 VanDerWaalsContact O-CG 3.25Å; T163-K167 WeakPolarHBondContact O-CG 3.25Å; T163-K167 PolarHBondContact O-N 2.86Å; T163-L209 HydrophobicContact CG2-CD1 3.99Å |
| 164 | R | 85.4 | Confident | 88.5 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.9 | -46.4 | 178.4 | -74.3 | 178.7 | 171.8 | -160.6 | -5.1 | 112.5 | F124 L160 T161 V162 Y166 K167 V168 | F124-R164 PolarHBondContact O-NH1 2.78Å; L160-R164 WeakPolarHBondContact O-CG 3.02Å; L160-R164 PolarHBondContact O-N 3.27Å; T161-R164 PolarHBondContact O-N 3.02Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 2.9Å; R164-Y166 VanDerWaalsContact C-N 3.3Å; R164-Y166 PolarHBondContact O-N 3.47Å; R164-K167 WeakPolarHBondContact O-CB 3.3Å; R164-K167 PolarHBondContact O-N 2.99Å; R164-V168 PolarHBondContact O-N 3.28Å |
| 165 | A | 87.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F135 L141 T161 V162 K167 V168 N169 I172 F174 | F135-A165 HydrophobicContact CD1-CB 4.1Å; F135-A165 HydrophobicContact CE1-CB 4.21Å; F135-A165 HydrophobicContact CG-CB 4.28Å; F135-A165 HydrophobicContact CZ-CB 4.47Å; L141-A165 HydrophobicContact CD1-CB 4.05Å; T161-A165 WeakPolarHBondContact O-CB 3.23Å; T161-A165 PolarHBondContact O-N 2.87Å; V162-A165 PolarHBondContact O-N 2.79Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.28Å; A165-V168 PolarHBondContact O-N 3.19Å; A165-V168 VanDerWaalsContact O-N 3.09Å; A165-N169 PolarHBondContact O-N 3.14Å; A165-I172 HydrophobicContact CB-CD1 4.11Å; A165-F174 HydrophobicContact CB-CE1 3.74Å; A165-F174 HydrophobicContact CB-CZ 3.92Å |
| 166 | Y | 88.6 | Confident | 89 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -33.4 | 178.6 | -169.6 | -105.7 | 0 | 0 | 0 | 113.4 | V162 R164 V168 T170 F174 L209 I212 | V162-Y166 VanDerWaalsContact O-CB 3.27Å; V162-Y166 WeakPolarHBondContact O-CB 3.35Å; V162-Y166 PolarHBondContact O-N 2.88Å; R164-Y166 VanDerWaalsContact C-N 3.3Å; R164-Y166 PolarHBondContact O-N 3.47Å; Y166-V168 VanDerWaalsContact C-N 3.27Å; Y166-V168 PolarHBondContact O-N 2.95Å; Y166-T170 HydrophobicContact CD2-CG2 4.48Å; Y166-T170 HydrophobicContact CE1-CG2 4.31Å; Y166-T170 HydrophobicContact CE2-CG2 4.09Å; Y166-F174 HydrophobicContact CD2-CE2 4.04Å; Y166-L209 HydrophobicContact CD1-CD2 4.09Å; Y166-L209 HydrophobicContact CE1-CD2 4.27Å; Y166-I212 HydrophobicContact CD1-CD1 3.77Å; Y166-I212 HydrophobicContact CD1-CG1 4.13Å; Y166-I212 HydrophobicContact CD2-CD1 3.85Å; Y166-I212 HydrophobicContact CD2-CG1 3.79Å; Y166-I212 HydrophobicContact CE1-CD1 4.32Å; Y166-I212 HydrophobicContact CE1-CG1 4.2Å; Y166-I212 HydrophobicContact CE2-CD1 4.38Å; Y166-I212 HydrophobicContact CE2-CG1 3.86Å; Y166-I212 HydrophobicContact CG-CD1 3.5Å; Y166-I212 VanDerWaalsContact CG-CD1 3.5Å; Y166-I212 HydrophobicContact CG-CG1 3.91Å |
| 167 | K | 86.7 | Confident | 89.3 | Confident | 167 Ų | 167 | 39.8 Ų | 39.8 | 73% | 0.726 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.2 | -32.5 | 173.4 | -78.4 | 172.7 | -177 | -178.4 | 0 | 112.7 | T163 R164 A165 | T163-K167 VanDerWaalsContact O-CG 3.25Å; T163-K167 WeakPolarHBondContact O-CG 3.25Å; T163-K167 PolarHBondContact O-N 2.86Å; R164-K167 WeakPolarHBondContact O-CB 3.3Å; R164-K167 PolarHBondContact O-N 2.99Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.28Å |
| 168 | V | 85.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 36.4 Ų | 36.4 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -85.2 | -44.3 | -179 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | E132 F135 R136 R164 A165 Y166 | E132-V168 HydrophobicContact CB-CG1 4.46Å; E132-V168 HydrophobicContact CG-CG2 4.13Å; E132-V168 WeakPolarHBondContact O-CG1 3.3Å; F135-V168 HydrophobicContact CB-CB 4.11Å; F135-V168 HydrophobicContact CB-CG1 3.92Å; R136-V168 HydrophobicContact CG-CG1 3.69Å; R164-V168 PolarHBondContact O-N 3.28Å; A165-V168 PolarHBondContact O-N 3.19Å; A165-V168 VanDerWaalsContact O-N 3.09Å; Y166-V168 VanDerWaalsContact C-N 3.27Å; Y166-V168 PolarHBondContact O-N 2.95Å |
| 169 | N | 83.6 | Confident | 89.8 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | trans | -144.9 | 116.1 | -177.9 | 179.9 | 8.6 | 0 | 0 | 0 | 109.9 | F135 T138 A165 D171 I172 | F135-N169 PolarHBondContact O-ND2 2.63Å; T138-N169 PolarHBondContact O-ND2 3.09Å; A165-N169 PolarHBondContact O-N 3.14Å; N169-D171 VanDerWaalsContact C-N 3.3Å; N169-D171 PolarHBondContact OD1-N 3.29Å; N169-I172 HydrophobicContact CB-CD1 3.8Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 WeakPolarHBondContact ND2-CG1 3.34Å | ||
| 170 | T | 85.2 | Confident | 89.9 | Confident | 83 Ų | 83 | 36.5 Ų | 36.5 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -15.4 | -179.2 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | Y166 I172 | Y166-T170 HydrophobicContact CD2-CG2 4.48Å; Y166-T170 HydrophobicContact CE1-CG2 4.31Å; Y166-T170 HydrophobicContact CE2-CG2 4.09Å; T170-I172 VanDerWaalsContact C-N 3.34Å |
| 171 | D | 85.6 | Confident | 90.1 | Very high | 131 Ų | 131 | 34.5 Ų | 34.5 | 70% | 0.701 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 9.7 | -173.4 | -58.8 | -14.7 | 0 | 0 | 0 | 112.3 | N169 | N169-D171 VanDerWaalsContact C-N 3.3Å; N169-D171 PolarHBondContact OD1-N 3.29Å |
| 172 | I | 89.8 | Confident | 90.1 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 130.5 | 176.3 | -61.8 | 176.7 | 0 | 0 | 0 | 109.6 | F135 T138 L141 A165 N169 T170 F174 | F135-I172 HydrophobicContact CB-CD1 4.26Å; T138-I172 HydrophobicContact CG2-CG2 4.37Å; L141-I172 HydrophobicContact CB-CG2 3.92Å; A165-I172 HydrophobicContact CB-CD1 4.11Å; N169-I172 HydrophobicContact CB-CD1 3.8Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 WeakPolarHBondContact ND2-CG1 3.34Å; T170-I172 VanDerWaalsContact C-N 3.34Å; I172-F174 HydrophobicContact CB-CE2 4.25Å; I172-F174 HydrophobicContact CB-CZ 4.08Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 4.05Å; I172-F174 HydrophobicContact CG2-CE2 4.44Å; I172-F174 HydrophobicContact CG2-CZ 4.1Å; I172-F174 WeakPolarHBondContact O-CD2 3.44Å; I172-F174 WeakPolarHBondContact O-CE2 3.35Å |
| 173 | N | 91.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 28% | 0.283 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124 | 167.3 | -66.3 | -40.1 | 0 | 0 | 0 | 110.3 | G139 A140 L141 | G139-N173 PolarHBondContact O-N 3.48Å; A140-N173 CarbonylContact C-O 3.59Å; A140-N173 WeakPolarHBondContact CA-O 3.5Å; A140-N173 HydrophobicContact CB-CB 4.19Å; L141-N173 PolarHBondContact N-O 3.07Å |
| 174 | F | 93.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.8 | 178.7 | -65.3 | -77.3 | 0 | 0 | 0 | 110.9 | L141 V162 A165 Y166 I172 I212 L214 S215 | L141-F174 HydrophobicContact CB-CD1 4.19Å; L141-F174 HydrophobicContact CB-CE1 4.43Å; L141-F174 HydrophobicContact CD1-CE1 4.29Å; L141-F174 HydrophobicContact CD2-CD1 4.43Å; V162-F174 HydrophobicContact CB-CD1 4.36Å; V162-F174 HydrophobicContact CB-CE1 4.26Å; V162-F174 HydrophobicContact CG1-CD1 4.12Å; V162-F174 HydrophobicContact CG1-CD2 4.43Å; V162-F174 HydrophobicContact CG1-CE1 4.05Å; V162-F174 HydrophobicContact CG1-CE2 4.37Å; V162-F174 HydrophobicContact CG1-CG 4.3Å; V162-F174 HydrophobicContact CG1-CZ 4.17Å; V162-F174 HydrophobicContact CG2-CD1 3.85Å; V162-F174 HydrophobicContact CG2-CE1 4.18Å; V162-F174 HydrophobicContact CG2-CG 4.47Å; A165-F174 HydrophobicContact CB-CE1 3.74Å; A165-F174 HydrophobicContact CB-CZ 3.92Å; Y166-F174 HydrophobicContact CD2-CE2 4.04Å; I172-F174 HydrophobicContact CB-CE2 4.25Å; I172-F174 HydrophobicContact CB-CZ 4.08Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 4.05Å; I172-F174 HydrophobicContact CG2-CE2 4.44Å; I172-F174 HydrophobicContact CG2-CZ 4.1Å; I172-F174 WeakPolarHBondContact O-CD2 3.44Å; I172-F174 WeakPolarHBondContact O-CE2 3.35Å; F174-I212 HydrophobicContact CD2-CG2 3.65Å; F174-I212 HydrophobicContact CE2-CG2 4.07Å; F174-I212 HydrophobicContact CG-CG2 4.35Å; F174-L214 HydrophobicContact CB-CD2 3.51Å; F174-L214 HydrophobicContact CG-CD2 4.27Å; F174-S215 PolarHBondContact O-N 2.91Å; F174-S215 VanDerWaalsContact O-N 3.12Å |
| 175 | E | 95.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.9 | -173.8 | -48.2 | -70.5 | 146.6 | 0 | 0 | 108.3 | L141 I142 F143 S215 Y217 V233 K236 | L141-E175 PolarHBondContact O-N 3.07Å; I142-E175 CarbonylContact C-O 3.49Å; I142-E175 VanDerWaalsContact CA-O 3.28Å; I142-E175 WeakPolarHBondContact CA-O 3.48Å; I142-E175 HydrophobicContact CG1-CB 4.28Å; F143-E175 PolarHBondContact N-O 3.08Å; E175-S215 CarbonylContact C-O 3.58Å; E175-S215 WeakPolarHBondContact CA-O 3.14Å; E175-S215 WeakPolarHBondContact OE2-CB 3.45Å; E175-Y217 HydrophobicContact CB-CE2 4.15Å; E175-Y217 WeakPolarHBondContact OE2-CE2 3.45Å; E175-Y217 VanDerWaalsContact OE2-CZ 3.22Å; E175-Y217 PolarHBondContact OE2-OH 2.92Å; E175-V233 HydrophobicContact CB-CG2 4Å; E175-V233 HydrophobicContact CG-CG1 4.17Å; E175-V233 HydrophobicContact CG-CG2 3.72Å; E175-K236 VanDerWaalsContact OE1-CD 3.27Å; E175-K236 WeakPolarHBondContact OE1-CD 3.38Å; E175-K236 IonicContact OE1-NZ 2.73Å; E175-K236 PolarHBondContact OE1-NZ 3.28Å; E175-K236 IonicContact OE2-NZ 2.78Å; E175-K236 PolarHBondContact OE2-NZ 3.35Å |
| 176 | V | 95.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.6 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | F143 I145 L158 S215 F216 Y217 | F143-V176 CarbonylContact O-C 3.54Å; F143-V176 WeakPolarHBondContact O-CA 3.34Å; I145-V176 HydrophobicContact CD1-CG1 3.6Å; I145-V176 HydrophobicContact CG1-CG1 4.07Å; L158-V176 HydrophobicContact CD1-CG2 4.03Å; L158-V176 HydrophobicContact CD2-CG2 4.01Å; V176-S215 PolarHBondContact N-O 3.34Å; V176-F216 HydrophobicContact CB-CD1 3.72Å; V176-F216 HydrophobicContact CB-CE1 3.98Å; V176-F216 HydrophobicContact CB-CG 4.42Å; V176-F216 HydrophobicContact CG1-CD1 3.88Å; V176-F216 HydrophobicContact CG1-CE1 4.07Å; V176-F216 HydrophobicContact CG2-CD1 4.29Å; V176-F216 HydrophobicContact CG2-CE1 4.07Å; V176-F216 WeakPolarHBondContact O-CA 3.49Å; V176-Y217 PolarHBondContact O-N 2.89Å |
| 177 | F | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 110.6 | 175.4 | -73.5 | 5.6 | 0 | 0 | 0 | 108.6 | I142 F143 V144 I145 H179 Y217 T219 I226 A229 F230 V233 | I142-F177 HydrophobicContact CD1-CE2 4.18Å; I142-F177 HydrophobicContact CD1-CZ 3.98Å; I142-F177 HydrophobicContact CG1-CZ 4.46Å; I142-F177 HydrophobicContact CG2-CB 4.41Å; I142-F177 HydrophobicContact CG2-CD1 3.93Å; I142-F177 HydrophobicContact CG2-CD2 3.54Å; I142-F177 HydrophobicContact CG2-CE1 4.02Å; I142-F177 HydrophobicContact CG2-CE2 3.64Å; I142-F177 HydrophobicContact CG2-CG 3.69Å; I142-F177 HydrophobicContact CG2-CZ 3.89Å; F143-F177 PolarHBondContact O-N 3.45Å; V144-F177 HydrophobicContact CG2-CB 4.43Å; I145-F177 PolarHBondContact N-O 2.96Å; F177-H179 PolarHBondContact O-N 2.93Å; F177-Y217 AromaticContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CG 4.29Å; F177-Y217 AromaticContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CE2 4.16Å; F177-Y217 HydrophobicContact CE1-CG 4.13Å; F177-T219 HydrophobicContact CB-CG2 4.29Å; F177-T219 HydrophobicContact CD1-CG2 4.23Å; F177-T219 HydrophobicContact CD2-CG2 4.07Å; F177-T219 HydrophobicContact CE2-CG2 4.47Å; F177-T219 HydrophobicContact CG-CG2 3.94Å; F177-I226 HydrophobicContact CD2-CD1 3.8Å; F177-I226 HydrophobicContact CE2-CD1 3.63Å; F177-A229 HydrophobicContact CE1-CB 3.81Å; F177-A229 HydrophobicContact CE2-CB 4.42Å; F177-A229 HydrophobicContact CZ-CB 3.76Å; F177-F230 AromaticContact CE2-CD2 3.9Å; F177-F230 HydrophobicContact CE2-CD2 3.9Å; F177-F230 AromaticContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CZ 4.27Å; F177-F230 HydrophobicContact CZ-CD2 4.26Å; F177-F230 HydrophobicContact CZ-CE2 4.35Å; F177-V233 HydrophobicContact CE1-CG2 4.08Å; F177-V233 HydrophobicContact CZ-CG2 4.1Å |
| 178 | I | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 101.2 | 167 | -57.7 | 173.5 | 0 | 0 | 0 | 105.3 | V181 T192 Q193 I196 F216 Y217 L218 T219 | I178-V181 HydrophobicContact CG2-CG1 4.16Å; I178-V181 WeakPolarHBondContact O-CG1 3.14Å; I178-T192 HydrophobicContact CG2-CG2 4.47Å; I178-Q193 HydrophobicContact CD1-CB 4.16Å; I178-Q193 HydrophobicContact CD1-CG 3.97Å; I178-I196 HydrophobicContact CD1-CB 4.23Å; I178-I196 HydrophobicContact CD1-CD1 4.06Å; I178-I196 HydrophobicContact CD1-CG2 4.09Å; I178-I196 HydrophobicContact CG1-CD1 4.03Å; I178-I196 HydrophobicContact CG1-CG2 4.28Å; I178-I196 HydrophobicContact CG2-CD1 4.13Å; I178-F216 HydrophobicContact CD1-CD1 4.48Å; I178-Y217 PolarHBondContact N-O 3.2Å; I178-L218 HydrophobicContact CB-CD2 4.03Å; I178-L218 HydrophobicContact CD1-CD2 4.25Å; I178-L218 HydrophobicContact CG2-CD2 3.94Å; I178-T219 PolarHBondContact O-N 2.69Å; I178-T219 PolarHBondContact O-OG1 2.88Å |
| 179 | H | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 161 | -165.1 | -162 | 56.5 | 0 | 0 | 0 | 112.4 | S73 V144 I145 S147 F177 T219 | S73-H179 PolarHBondContact O-CD2 3.4Å; V144-H179 HydrophobicContact CG1-CB 3.66Å; I145-H179 WeakPolarHBondContact O-CB 3.25Å; I145-H179 PolarHBondContact O-N 3.07Å; S147-H179 WeakPolarHBondContact CB-O 3.46Å; S147-H179 PolarHBondContact N-O 3.43Å; S147-H179 PolarHBondContact OG-O 3.31Å; F177-H179 PolarHBondContact O-N 2.93Å; H179-T219 CarbonylContact C-O 3.55Å; H179-T219 WeakPolarHBondContact CA-O 3.45Å; H179-T219 PolarHBondContact ND1-O 3Å; H179-T219 PolarHBondContact ND1-OG1 3.19Å |
| 180 | K | 92.8 | Very high | 91.3 | Very high | 55 Ų | 55 | 51 Ų | 51 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | trans | 62.6 | 38.6 | -177.1 | -49.5 | -169.5 | -167.7 | 161.4 | 0 | 114.4 | R72 D146 S147 Q148 D182 T219 | R72-K180 PolarHBondContact O-NZ 3.02Å; D146-K180 WeakPolarHBondContact OD1-CD 3.45Å; D146-K180 WeakPolarHBondContact OD2-CE 3.36Å; D146-K180 IonicContact OD2-NZ 2.63Å; D146-K180 PolarHBondContact OD2-NZ 3.34Å; S147-K180 PolarHBondContact OG-O 3.47Å; Q148-K180 HydrophobicContact CG-CB 4.08Å; Q148-K180 WeakPolarHBondContact CG-O 3.1Å; Q148-K180 PolarHBondContact NE2-O 3.16Å; K180-D182 WeakPolarHBondContact CA-OD1 3.47Å; K180-D182 PolarHBondContact O-N 3.48Å; K180-T219 PolarHBondContact N-O 3.01Å; K180-T219 VanDerWaalsContact N-O 3.12Å | ||
| 181 | V | 91.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -74.9 | -3.4 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | I178 G183 L184 K189 L218 | I178-V181 HydrophobicContact CG2-CG1 4.16Å; I178-V181 WeakPolarHBondContact O-CG1 3.14Å; V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 2.97Å; V181-L184 PolarHBondContact O-N 3.41Å; V181-K189 HydrophobicContact CB-CD 4.36Å; V181-K189 HydrophobicContact CB-CG 4.29Å; V181-K189 WeakPolarHBondContact O-CE 3.47Å; V181-L218 HydrophobicContact CG1-CB 4.32Å; V181-L218 HydrophobicContact CG1-CD2 3.92Å; V181-L218 HydrophobicContact CG2-CB 4.44Å |
| 182 | D | 89.1 | Confident | 92 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -60.9 | -32.5 | -179.8 | 49.7 | -66.1 | 0 | 0 | 0 | 113.8 | K180 S220 Y222 | K180-D182 WeakPolarHBondContact CA-OD1 3.47Å; K180-D182 PolarHBondContact O-N 3.48Å; D182-S220 WeakPolarHBondContact CB-OG 3.44Å; D182-Y222 HydrophobicContact CB-CD2 4.06Å |
| 183 | G | 83.7 | Confident | 92.2 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 60% | 0.598 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -86.2 | -3.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V181 | V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 2.97Å |
| 184 | L | 89 | Confident | 92.3 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 20% | 0.199 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -101.8 | 144.9 | -173.5 | -60.5 | 177.9 | 0 | 0 | 0 | 111.2 | S147 V181 H188 K189 | S147-L184 WeakPolarHBondContact OG-CD1 3.37Å; V181-L184 PolarHBondContact O-N 3.41Å; L184-H188 HydrophobicContact CB-CB 4.44Å; L184-K189 HydrophobicContact CB-CG 3.96Å; L184-K189 VanDerWaalsContact O-CE 3.25Å; L184-K189 WeakPolarHBondContact O-CE 3.36Å |
| 185 | S | 91.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | trans | -73.1 | 157.8 | 168.3 | 60.7 | 0 | 0 | 0 | 0 | 111 | D187 H188 K189 | S185-D187 VanDerWaalsContact C-N 3.29Å; S185-D187 PolarHBondContact O-N 3.05Å; S185-H188 WeakPolarHBondContact O-CB 3.35Å; S185-H188 PolarHBondContact O-N 3Å; S185-H188 PolarHBondContact OG-CD2 2.9Å; S185-K189 WeakPolarHBondContact O-CG 3.22Å; S185-K189 PolarHBondContact O-N 3.45Å | ||
| 186 | D | 88.8 | Confident | 92.2 | Very high | 110 Ų | 110 | 56.3 Ų | 56.3 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.4 | -34.8 | -174.4 | -65 | -26.1 | 0 | 0 | 0 | 113.1 | K189 I190 | D186-K189 PolarHBondContact O-N 2.94Å; D186-K189 IonicContact OD1-NZ 3.44Å; D186-K189 PolarHBondContact OD1-NZ 3.35Å; D186-I190 WeakPolarHBondContact O-CG1 3.45Å; D186-I190 PolarHBondContact O-N 3.47Å; D186-I190 VanDerWaalsContact O-N 3.15Å |
| 187 | D | 92.4 | Very high | 92.1 | Very high | 129 Ų | 129 | 60.5 Ų | 60.5 | 69% | 0.69 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 173.3 | -66.5 | -28.7 | 0 | 0 | 0 | 111.6 | S185 K189 I190 E191 | S185-D187 VanDerWaalsContact C-N 3.29Å; S185-D187 PolarHBondContact O-N 3.05Å; D187-K189 VanDerWaalsContact C-N 3.35Å; D187-K189 PolarHBondContact O-N 3Å; D187-I190 PolarHBondContact O-N 2.89Å; D187-E191 PolarHBondContact O-N 3.31Å |
| 188 | H | 92 | Very high | 91.9 | Very high | 100 Ų | 100 | 65.5 Ų | 65.5 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -33.8 | 177.7 | -82.4 | -102.6 | 0 | 0 | 0 | 112.3 | L184 S185 T192 | L184-H188 HydrophobicContact CB-CB 4.44Å; S185-H188 WeakPolarHBondContact O-CB 3.35Å; S185-H188 PolarHBondContact O-N 3Å; S185-H188 PolarHBondContact OG-CD2 2.9Å; H188-T192 VanDerWaalsContact O-CB 3.23Å; H188-T192 WeakPolarHBondContact O-CB 3.36Å; H188-T192 PolarHBondContact O-N 2.84Å; H188-T192 PolarHBondContact O-OG1 2.78Å |
| 189 | K | 91.3 | Very high | 91.8 | Very high | 44 Ų | 44 | 69.9 Ų | 69.9 | 19% | 0.191 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 174.1 | -68.4 | 174.8 | -169.1 | 157.5 | 0 | 111 | V181 L184 S185 D186 D187 Q193 L218 | V181-K189 HydrophobicContact CB-CD 4.36Å; V181-K189 HydrophobicContact CB-CG 4.29Å; V181-K189 WeakPolarHBondContact O-CE 3.47Å; L184-K189 HydrophobicContact CB-CG 3.96Å; L184-K189 VanDerWaalsContact O-CE 3.25Å; L184-K189 WeakPolarHBondContact O-CE 3.36Å; S185-K189 WeakPolarHBondContact O-CG 3.22Å; S185-K189 PolarHBondContact O-N 3.45Å; D186-K189 PolarHBondContact O-N 2.94Å; D186-K189 IonicContact OD1-NZ 3.44Å; D186-K189 PolarHBondContact OD1-NZ 3.35Å; D187-K189 VanDerWaalsContact C-N 3.35Å; D187-K189 PolarHBondContact O-N 3Å; K189-Q193 VanDerWaalsContact O-CB 3.26Å; K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 PolarHBondContact O-N 3.46Å; K189-L218 HydrophobicContact CB-CD1 4.23Å |
| 190 | I | 91.9 | Very high | 91.7 | Very high | 107 Ų | 107 | 70 Ų | 70 | 55% | 0.549 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 179.9 | -63.8 | 165.4 | 0 | 0 | 0 | 110.5 | D186 D187 R194 | D186-I190 WeakPolarHBondContact O-CG1 3.45Å; D186-I190 PolarHBondContact O-N 3.47Å; D186-I190 VanDerWaalsContact O-N 3.15Å; D187-I190 PolarHBondContact O-N 2.89Å; I190-R194 WeakPolarHBondContact O-CB 3.36Å; I190-R194 PolarHBondContact O-N 3.42Å |
| 191 | E | 92.9 | Very high | 91.6 | Very high | 113 Ų | 113 | 69.6 Ų | 69.6 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -48 | 178.5 | -175.2 | 169.3 | -153.9 | 0 | 0 | 111.9 | D187 Q193 R194 D195 | D187-E191 PolarHBondContact O-N 3.31Å; E191-Q193 VanDerWaalsContact C-N 3.35Å; E191-Q193 PolarHBondContact O-N 3.18Å; E191-R194 PolarHBondContact O-N 3.04Å; E191-D195 PolarHBondContact O-N 3.36Å |
| 192 | T | 91.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 73.2 Ų | 73.2 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | Y151 I178 H188 R194 D195 I196 | Y151-T192 HydrophobicContact CE1-CG2 4.32Å; I178-T192 HydrophobicContact CG2-CG2 4.47Å; H188-T192 VanDerWaalsContact O-CB 3.23Å; H188-T192 WeakPolarHBondContact O-CB 3.36Å; H188-T192 PolarHBondContact O-N 2.84Å; H188-T192 PolarHBondContact O-OG1 2.78Å; T192-R194 PolarHBondContact O-N 3.3Å; T192-D195 PolarHBondContact O-N 3Å; T192-I196 HydrophobicContact CG2-CD1 3.71Å; T192-I196 HydrophobicContact CG2-CG1 4.36Å; T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 3.37Å |
| 193 | Q | 93.5 | Very high | 91.6 | Very high | 62 Ų | 62 | 72.5 Ų | 72.5 | 29% | 0.29 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.6 | -170.8 | 179 | 24.5 | 0 | 0 | 111.5 | I178 K189 E191 H197 L218 | I178-Q193 HydrophobicContact CD1-CB 4.16Å; I178-Q193 HydrophobicContact CD1-CG 3.97Å; K189-Q193 VanDerWaalsContact O-CB 3.26Å; K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 PolarHBondContact O-N 3.46Å; E191-Q193 VanDerWaalsContact C-N 3.35Å; E191-Q193 PolarHBondContact O-N 3.18Å; Q193-H197 WeakPolarHBondContact O-CB 3.49Å; Q193-H197 PolarHBondContact O-N 3.01Å; Q193-L218 HydrophobicContact CB-CD2 4.21Å; Q193-L218 HydrophobicContact CG-CD2 4.48Å |
| 194 | R | 93.1 | Very high | 91.9 | Very high | 166 Ų | 166 | 70 Ų | 70 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 178.9 | -171 | -176.6 | 72.4 | -177.9 | -1 | 111.4 | I190 E191 T192 H197 Q198 | I190-R194 WeakPolarHBondContact O-CB 3.36Å; I190-R194 PolarHBondContact O-N 3.42Å; E191-R194 PolarHBondContact O-N 3.04Å; T192-R194 PolarHBondContact O-N 3.3Å; R194-H197 PolarHBondContact O-N 2.74Å; R194-Q198 VanDerWaalsContact O-CB 3.32Å; R194-Q198 WeakPolarHBondContact O-CB 3.36Å; R194-Q198 PolarHBondContact O-N 3.14Å |
| 195 | D | 94.4 | Very high | 91.9 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 19% | 0.193 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -48.9 | -179 | -164.1 | 27.6 | 0 | 0 | 0 | 111.6 | Y151 E191 T192 H197 Q198 R199 | Y151-D195 PolarHBondContact OH-OD2 3.1Å; E191-D195 PolarHBondContact O-N 3.36Å; T192-D195 PolarHBondContact O-N 3Å; D195-H197 VanDerWaalsContact C-N 3.33Å; D195-H197 PolarHBondContact O-N 2.73Å; D195-Q198 PolarHBondContact O-N 3.43Å; D195-R199 WeakPolarHBondContact O-CB 3.46Å; D195-R199 WeakPolarHBondContact O-CG 3.27Å; D195-R199 PolarHBondContact O-N 3.03Å; D195-R199 IonicContact OD1-CZ 3.33Å; D195-R199 IonicContact OD1-NE 3.33Å; D195-R199 PolarHBondContact OD1-NE 3.31Å; D195-R199 IonicContact OD1-NH2 2.74Å; D195-R199 PolarHBondContact OD1-NH2 3.42Å; D195-R199 IonicContact OD2-CZ 2.8Å; D195-R199 IonicContact OD2-NE 2.77Å; D195-R199 PolarHBondContact OD2-NE 3.26Å; D195-R199 IonicContact OD2-NH2 2.66Å; D195-R199 PolarHBondContact OD2-NH2 3.47Å |
| 196 | I | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.8 | -70.8 | 175.2 | 0 | 0 | 0 | 110.8 | I145 Y151 L155 I178 T192 A200 F216 | I145-I196 HydrophobicContact CD1-CG2 4.1Å; I145-I196 HydrophobicContact CG2-CD1 4.24Å; Y151-I196 HydrophobicContact CD1-CD1 4.37Å; Y151-I196 HydrophobicContact CD2-CD1 4.44Å; Y151-I196 HydrophobicContact CD2-CG1 3.97Å; Y151-I196 HydrophobicContact CE2-CG1 4.06Å; Y151-I196 HydrophobicContact CG-CD1 4.23Å; Y151-I196 HydrophobicContact CG-CG1 4.25Å; L155-I196 HydrophobicContact CD2-CG2 4.15Å; I178-I196 HydrophobicContact CD1-CB 4.23Å; I178-I196 HydrophobicContact CD1-CD1 4.06Å; I178-I196 HydrophobicContact CD1-CG2 4.09Å; I178-I196 HydrophobicContact CG1-CD1 4.03Å; I178-I196 HydrophobicContact CG1-CG2 4.28Å; I178-I196 HydrophobicContact CG2-CD1 4.13Å; T192-I196 HydrophobicContact CG2-CD1 3.71Å; T192-I196 HydrophobicContact CG2-CG1 4.36Å; T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 3.37Å; I196-A200 WeakPolarHBondContact O-CB 3.27Å; I196-A200 PolarHBondContact O-N 2.9Å; I196-F216 HydrophobicContact CG2-CD1 4.1Å; I196-F216 HydrophobicContact CG2-CE1 3.9Å |
| 197 | H | 93.4 | Very high | 91.5 | Very high | 90 Ų | 90 | 71.2 Ų | 71.2 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 179.2 | -179.4 | -76.2 | 0 | 0 | 0 | 111.8 | Q193 R194 D195 N201 F216 | Q193-H197 WeakPolarHBondContact O-CB 3.49Å; Q193-H197 PolarHBondContact O-N 3.01Å; R194-H197 PolarHBondContact O-N 2.74Å; D195-H197 VanDerWaalsContact C-N 3.33Å; D195-H197 PolarHBondContact O-N 2.73Å; H197-N201 PolarHBondContact CE1-ND2 3.12Å; H197-N201 PolarHBondContact ND1-ND2 2.8Å; H197-N201 PolarHBondContact NE2-ND2 3.2Å; H197-N201 WeakPolarHBondContact O-CB 3.43Å; H197-N201 PolarHBondContact O-N 3.45Å; H197-N201 PolarHBondContact O-ND2 2.8Å; H197-F216 HydrophobicContact CB-CD2 4.48Å; H197-F216 HydrophobicContact CB-CE2 4.34Å; H197-F216 HydrophobicContact CB-CZ 4.44Å; H197-F216 AromaticContact CD2-CD2 3.3Å; H197-F216 WeakPolarHBondContact CD2-CD2 3.26Å; H197-F216 AromaticContact CD2-CE2 3.33Å; H197-F216 WeakPolarHBondContact CD2-CE2 3.01Å; H197-F216 AromaticContact CG-CE2 3.98Å; H197-F216 AromaticContact NE2-CE2 3.97Å |
| 198 | Q | 93.1 | Very high | 91 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -53.1 | 179.9 | -177.3 | 173.1 | -4.1 | 0 | 0 | 110.7 | R194 D195 A200 N201 D202 | R194-Q198 VanDerWaalsContact O-CB 3.32Å; R194-Q198 WeakPolarHBondContact O-CB 3.36Å; R194-Q198 PolarHBondContact O-N 3.14Å; D195-Q198 PolarHBondContact O-N 3.43Å; Q198-A200 PolarHBondContact O-N 3.28Å; Q198-N201 PolarHBondContact O-N 3.06Å; Q198-D202 WeakPolarHBondContact CG-OD2 3.45Å; Q198-D202 WeakPolarHBondContact O-CB 3.5Å; Q198-D202 PolarHBondContact O-N 2.85Å |
| 199 | R | 92.8 | Very high | 90.6 | Very high | 92 Ų | 92 | 65 Ų | 65 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | -178.4 | -68.8 | 175.9 | -169.5 | -108.1 | 7.9 | 113.2 | L155 D195 N201 D202 D203 | L155-R199 HydrophobicContact CD1-CB 3.89Å; D195-R199 WeakPolarHBondContact O-CB 3.46Å; D195-R199 WeakPolarHBondContact O-CG 3.27Å; D195-R199 PolarHBondContact O-N 3.03Å; D195-R199 IonicContact OD1-CZ 3.33Å; D195-R199 IonicContact OD1-NE 3.33Å; D195-R199 PolarHBondContact OD1-NE 3.31Å; D195-R199 IonicContact OD1-NH2 2.74Å; D195-R199 PolarHBondContact OD1-NH2 3.42Å; D195-R199 IonicContact OD2-CZ 2.8Å; D195-R199 IonicContact OD2-NE 2.77Å; D195-R199 PolarHBondContact OD2-NE 3.26Å; D195-R199 IonicContact OD2-NH2 2.66Å; D195-R199 PolarHBondContact OD2-NH2 3.47Å; R199-N201 VanDerWaalsContact C-N 3.29Å; R199-N201 PolarHBondContact O-N 3.26Å; R199-D202 PolarHBondContact O-N 2.59Å; R199-D203 WeakPolarHBondContact O-CB 3.39Å; R199-D203 VanDerWaalsContact O-CG 3.32Å; R199-D203 PolarHBondContact O-N 2.82Å |
| 200 | A | 91.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.1 | -35.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L155 L158 I196 Q198 L204 L214 F216 | L155-A200 HydrophobicContact CD2-CB 4.09Å; L158-A200 HydrophobicContact CD2-CB 4.18Å; I196-A200 WeakPolarHBondContact O-CB 3.27Å; I196-A200 PolarHBondContact O-N 2.9Å; Q198-A200 PolarHBondContact O-N 3.28Å; A200-L204 VanDerWaalsContact O-CG 3.29Å; A200-L204 WeakPolarHBondContact O-CG 3.39Å; A200-L204 PolarHBondContact O-N 3.19Å; A200-L214 HydrophobicContact CB-CD1 3.94Å; A200-F216 HydrophobicContact CB-CE1 4.15Å; A200-F216 HydrophobicContact CB-CZ 3.92Å |
| 201 | N | 91.1 | Very high | 89.3 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -76.3 | -37.9 | 175.9 | -76.6 | -56.3 | 0 | 0 | 0 | 112.4 | H197 Q198 R199 L204 A205 | H197-N201 PolarHBondContact CE1-ND2 3.12Å; H197-N201 PolarHBondContact ND1-ND2 2.8Å; H197-N201 PolarHBondContact NE2-ND2 3.2Å; H197-N201 WeakPolarHBondContact O-CB 3.43Å; H197-N201 PolarHBondContact O-N 3.45Å; H197-N201 PolarHBondContact O-ND2 2.8Å; Q198-N201 PolarHBondContact O-N 3.06Å; R199-N201 VanDerWaalsContact C-N 3.29Å; R199-N201 PolarHBondContact O-N 3.26Å; N201-L204 PolarHBondContact O-N 3.21Å; N201-A205 WeakPolarHBondContact O-CB 3.37Å; N201-A205 PolarHBondContact O-N 3.46Å |
| 202 | D | 91.7 | Very high | 89 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 175.7 | -68.9 | -13.9 | 0 | 0 | 0 | 110.4 | Q198 R199 L204 A205 D206 | Q198-D202 WeakPolarHBondContact CG-OD2 3.45Å; Q198-D202 WeakPolarHBondContact O-CB 3.5Å; Q198-D202 PolarHBondContact O-N 2.85Å; R199-D202 PolarHBondContact O-N 2.59Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 3.4Å; D202-A205 PolarHBondContact O-N 2.85Å; D202-A205 VanDerWaalsContact O-N 3.15Å; D202-D206 PolarHBondContact O-N 2.95Å |
| 203 | D | 90 | Very high | 88.8 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 32% | 0.321 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 175.7 | -73.5 | -15.1 | 0 | 0 | 0 | 112.2 | H159 R199 A207 | H159-D203 PolarHBondContact CE1-O 2.89Å; H159-D203 PolarHBondContact ND1-O 3.04Å; R199-D203 WeakPolarHBondContact O-CB 3.39Å; R199-D203 VanDerWaalsContact O-CG 3.32Å; R199-D203 PolarHBondContact O-N 2.82Å; D203-A207 PolarHBondContact O-N 2.82Å |
| 204 | L | 88.7 | Confident | 88.7 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.9 | -37.2 | 176.2 | -75 | 176.6 | 0 | 0 | 0 | 112.5 | V162 A200 N201 D202 A207 G208 L209 I212 L214 | V162-L204 HydrophobicContact CG1-CD2 4.03Å; A200-L204 VanDerWaalsContact O-CG 3.29Å; A200-L204 WeakPolarHBondContact O-CG 3.39Å; A200-L204 PolarHBondContact O-N 3.19Å; N201-L204 PolarHBondContact O-N 3.21Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 3.4Å; L204-A207 PolarHBondContact O-N 3.07Å; L204-G208 PolarHBondContact O-N 2.94Å; L204-L209 HydrophobicContact CD2-CB 4.42Å; L204-L209 PolarHBondContact O-N 2.84Å; L204-I212 HydrophobicContact CD1-CB 4.42Å; L204-I212 HydrophobicContact CD1-CG2 4.37Å; L204-I212 HydrophobicContact CD2-CD1 4.41Å; L204-L214 HydrophobicContact CD1-CD1 3.47Å; L204-L214 VanDerWaalsContact CD1-CD1 3.47Å; L204-L214 HydrophobicContact CD1-CD2 4.26Å; L204-L214 HydrophobicContact CD1-CG 3.67Å |
| 205 | A | 89.1 | Confident | 88.7 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | N201 D202 A207 G208 E210 | N201-A205 WeakPolarHBondContact O-CB 3.37Å; N201-A205 PolarHBondContact O-N 3.46Å; D202-A205 PolarHBondContact O-N 2.85Å; D202-A205 VanDerWaalsContact O-N 3.15Å; A205-A207 PolarHBondContact O-N 2.9Å; A205-G208 WeakPolarHBondContact O-CA 3.28Å; A205-G208 PolarHBondContact O-N 3.04Å; A205-E210 HydrophobicContact CB-CG 4.47Å |
| 206 | D | 88.9 | Confident | 88.8 | Confident | 144 Ų | 144 | 66.3 Ų | 66.3 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.1 | -33.1 | 176.4 | -77.9 | -11.6 | 0 | 0 | 0 | 112.6 | D202 G208 | D202-D206 PolarHBondContact O-N 2.95Å; D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 2.66Å |
| 207 | A | 83.8 | Confident | 88.8 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -2.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D203 L204 A205 L209 | D203-A207 PolarHBondContact O-N 2.82Å; L204-A207 PolarHBondContact O-N 3.07Å; A205-A207 PolarHBondContact O-N 2.9Å; A207-L209 VanDerWaalsContact C-N 3.33Å; A207-L209 HydrophobicContact CB-CD1 4.32Å; A207-L209 HydrophobicContact CB-CG 4.37Å |
| 208 | G | 83.1 | Confident | 88.8 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 62% | 0.619 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 23.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L204 A205 D206 | L204-G208 PolarHBondContact O-N 2.94Å; A205-G208 WeakPolarHBondContact O-CA 3.28Å; A205-G208 PolarHBondContact O-N 3.04Å; D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 2.66Å |
| 209 | L | 82.6 | Confident | 88.9 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | trans | -104.2 | 41.2 | -177.9 | -65.4 | 174.7 | 0 | 0 | 0 | 112.3 | T163 Y166 L204 A207 K211 I212 | T163-L209 HydrophobicContact CG2-CD1 3.99Å; Y166-L209 HydrophobicContact CD1-CD2 4.09Å; Y166-L209 HydrophobicContact CE1-CD2 4.27Å; L204-L209 HydrophobicContact CD2-CB 4.42Å; L204-L209 PolarHBondContact O-N 2.84Å; A207-L209 VanDerWaalsContact C-N 3.33Å; A207-L209 HydrophobicContact CB-CD1 4.32Å; A207-L209 HydrophobicContact CB-CG 4.37Å; L209-K211 PolarHBondContact O-N 3.32Å; L209-I212 HydrophobicContact CB-CD1 3.83Å; L209-I212 HydrophobicContact CB-CG1 4.23Å; L209-I212 HydrophobicContact CD1-CD1 3.99Å; L209-I212 HydrophobicContact CD2-CD1 4.44Å; L209-I212 HydrophobicContact CG-CD1 4.32Å; L209-I212 PolarHBondContact O-N 2.91Å; L209-I212 VanDerWaalsContact O-N 3.1Å | ||
| 210 | E | 76.1 | Confident | 88.9 | Confident | 158 Ų | 158 | 56.4 Ų | 56.4 | 74% | 0.738 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.2 | -177.7 | -62 | 178.8 | 178.3 | 0 | 0 | 114.6 | A205 I212 | A205-E210 HydrophobicContact CB-CG 4.47Å; E210-I212 VanDerWaalsContact C-N 3.29Å |
| 211 | K | 80.9 | Confident | 88.9 | Confident | 174 Ų | 174 | 57 Ų | 57 | 76% | 0.757 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.3 | 178.1 | -64.4 | -175.8 | -178.5 | 179.3 | 0 | 113.5 | L209 | L209-K211 PolarHBondContact O-N 3.32Š|
| 212 | I | 85.9 | Confident | 88.8 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | trans | -83.7 | 121.1 | -178.3 | -57.6 | -178.6 | 0 | 0 | 0 | 108.7 | V162 Y166 F174 L204 L209 E210 L214 | V162-I212 HydrophobicContact CG1-CD1 3.82Å; V162-I212 HydrophobicContact CG1-CG2 3.9Å; Y166-I212 HydrophobicContact CD1-CD1 3.77Å; Y166-I212 HydrophobicContact CD1-CG1 4.13Å; Y166-I212 HydrophobicContact CD2-CD1 3.85Å; Y166-I212 HydrophobicContact CD2-CG1 3.79Å; Y166-I212 HydrophobicContact CE1-CD1 4.32Å; Y166-I212 HydrophobicContact CE1-CG1 4.2Å; Y166-I212 HydrophobicContact CE2-CD1 4.38Å; Y166-I212 HydrophobicContact CE2-CG1 3.86Å; Y166-I212 HydrophobicContact CG-CD1 3.5Å; Y166-I212 VanDerWaalsContact CG-CD1 3.5Å; Y166-I212 HydrophobicContact CG-CG1 3.91Å; F174-I212 HydrophobicContact CD2-CG2 3.65Å; F174-I212 HydrophobicContact CE2-CG2 4.07Å; F174-I212 HydrophobicContact CG-CG2 4.35Å; L204-I212 HydrophobicContact CD1-CB 4.42Å; L204-I212 HydrophobicContact CD1-CG2 4.37Å; L204-I212 HydrophobicContact CD2-CD1 4.41Å; L209-I212 HydrophobicContact CB-CD1 3.83Å; L209-I212 HydrophobicContact CB-CG1 4.23Å; L209-I212 HydrophobicContact CD1-CD1 3.99Å; L209-I212 HydrophobicContact CD2-CD1 4.44Å; L209-I212 HydrophobicContact CG-CD1 4.32Å; L209-I212 PolarHBondContact O-N 2.91Å; L209-I212 VanDerWaalsContact O-N 3.1Å; E210-I212 VanDerWaalsContact C-N 3.29Å; I212-L214 HydrophobicContact CG2-CD2 4.2Å | ||
| 213 | H | 87.3 | Confident | 88.5 | Confident | 161 Ų | 161 | 59.2 Ų | 59.2 | 75% | 0.745 | 32% | 0.315 | S | S | * | . | trans | -96.3 | 113.3 | 173.4 | -68.7 | -66.4 | 0 | 0 | 0 | 110.2 | ||||
| 214 | L | 91.5 | Very high | 88.4 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.9 | 170.1 | -61.6 | -176.8 | 0 | 0 | 0 | 109.8 | V162 F174 A200 L204 I212 F216 | V162-L214 HydrophobicContact CG1-CD2 4.43Å; V162-L214 HydrophobicContact CG2-CD2 4.22Å; F174-L214 HydrophobicContact CB-CD2 3.51Å; F174-L214 HydrophobicContact CG-CD2 4.27Å; A200-L214 HydrophobicContact CB-CD1 3.94Å; L204-L214 HydrophobicContact CD1-CD1 3.47Å; L204-L214 VanDerWaalsContact CD1-CD1 3.47Å; L204-L214 HydrophobicContact CD1-CD2 4.26Å; L204-L214 HydrophobicContact CD1-CG 3.67Å; I212-L214 HydrophobicContact CG2-CD2 4.2Å; L214-F216 HydrophobicContact CB-CD2 4.39Å; L214-F216 HydrophobicContact CB-CE2 3.55Å; L214-F216 HydrophobicContact CB-CZ 3.72Å; L214-F216 HydrophobicContact CD1-CZ 3.88Å; L214-F216 HydrophobicContact CG-CZ 4.49Å; L214-F216 WeakPolarHBondContact O-CE2 3.26Å |
| 215 | S | 93.9 | Very high | 88.5 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.2 | 170.7 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | F174 E175 V176 K236 | F174-S215 PolarHBondContact O-N 2.91Å; F174-S215 VanDerWaalsContact O-N 3.12Å; E175-S215 CarbonylContact C-O 3.58Å; E175-S215 WeakPolarHBondContact CA-O 3.14Å; E175-S215 WeakPolarHBondContact OE2-CB 3.45Å; V176-S215 PolarHBondContact N-O 3.34Å; S215-K236 PolarHBondContact OG-NZ 3.43Å |
| 216 | F | 94.9 | Very high | 88.7 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.2 | -174.9 | -61 | -97.8 | 0 | 0 | 0 | 110.8 | V176 I178 I196 H197 A200 L214 | V176-F216 HydrophobicContact CB-CD1 3.72Å; V176-F216 HydrophobicContact CB-CE1 3.98Å; V176-F216 HydrophobicContact CB-CG 4.42Å; V176-F216 HydrophobicContact CG1-CD1 3.88Å; V176-F216 HydrophobicContact CG1-CE1 4.07Å; V176-F216 HydrophobicContact CG2-CD1 4.29Å; V176-F216 HydrophobicContact CG2-CE1 4.07Å; V176-F216 WeakPolarHBondContact O-CA 3.49Å; I178-F216 HydrophobicContact CD1-CD1 4.48Å; I196-F216 HydrophobicContact CG2-CD1 4.1Å; I196-F216 HydrophobicContact CG2-CE1 3.9Å; H197-F216 HydrophobicContact CB-CD2 4.48Å; H197-F216 HydrophobicContact CB-CE2 4.34Å; H197-F216 HydrophobicContact CB-CZ 4.44Å; H197-F216 AromaticContact CD2-CD2 3.3Å; H197-F216 WeakPolarHBondContact CD2-CD2 3.26Å; H197-F216 AromaticContact CD2-CE2 3.33Å; H197-F216 WeakPolarHBondContact CD2-CE2 3.01Å; H197-F216 AromaticContact CG-CE2 3.98Å; H197-F216 AromaticContact NE2-CE2 3.97Å; A200-F216 HydrophobicContact CB-CE1 4.15Å; A200-F216 HydrophobicContact CB-CZ 3.92Å; L214-F216 HydrophobicContact CB-CD2 4.39Å; L214-F216 HydrophobicContact CB-CE2 3.55Å; L214-F216 HydrophobicContact CB-CZ 3.72Å; L214-F216 HydrophobicContact CD1-CZ 3.88Å; L214-F216 HydrophobicContact CG-CZ 4.49Å; L214-F216 WeakPolarHBondContact O-CE2 3.26Å |
| 217 | Y | 95 | Very high | 88.7 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.1 | 177.4 | -50.1 | -86.6 | 0 | 0 | 0 | 110.5 | E175 V176 F177 I178 A229 K232 V233 K236 | E175-Y217 HydrophobicContact CB-CE2 4.15Å; E175-Y217 WeakPolarHBondContact OE2-CE2 3.45Å; E175-Y217 VanDerWaalsContact OE2-CZ 3.22Å; E175-Y217 PolarHBondContact OE2-OH 2.92Å; V176-Y217 PolarHBondContact O-N 2.89Å; F177-Y217 AromaticContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CG 4.29Å; F177-Y217 AromaticContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CE2 4.16Å; F177-Y217 HydrophobicContact CE1-CG 4.13Å; I178-Y217 PolarHBondContact N-O 3.2Å; Y217-A229 HydrophobicContact CD1-CB 4.2Å; Y217-A229 HydrophobicContact CG-CB 3.91Å; Y217-K232 HydrophobicContact CD1-CD 4.26Å; Y217-K232 HydrophobicContact CE1-CB 4.05Å; Y217-K232 HydrophobicContact CE1-CD 3.64Å; Y217-K232 HydrophobicContact CE1-CG 4.49Å; Y217-V233 HydrophobicContact CE2-CG2 4.41Å; Y217-K236 PolarHBondContact OH-NZ 2.95Å |
| 218 | L | 93.7 | Very high | 89 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.7 | 167.3 | -62.5 | 171.8 | 0 | 0 | 0 | 107.3 | I178 V181 K189 Q193 | I178-L218 HydrophobicContact CB-CD2 4.03Å; I178-L218 HydrophobicContact CD1-CD2 4.25Å; I178-L218 HydrophobicContact CG2-CD2 3.94Å; V181-L218 HydrophobicContact CG1-CB 4.32Å; V181-L218 HydrophobicContact CG1-CD2 3.92Å; V181-L218 HydrophobicContact CG2-CB 4.44Å; K189-L218 HydrophobicContact CB-CD1 4.23Å; Q193-L218 HydrophobicContact CB-CD2 4.21Å; Q193-L218 HydrophobicContact CG-CD2 4.48Å |
| 219 | T | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.2 | -174.4 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | F177 I178 H179 K180 S225 I226 A229 | F177-T219 HydrophobicContact CB-CG2 4.29Å; F177-T219 HydrophobicContact CD1-CG2 4.23Å; F177-T219 HydrophobicContact CD2-CG2 4.07Å; F177-T219 HydrophobicContact CE2-CG2 4.47Å; F177-T219 HydrophobicContact CG-CG2 3.94Å; I178-T219 PolarHBondContact O-N 2.69Å; I178-T219 PolarHBondContact O-OG1 2.88Å; H179-T219 CarbonylContact C-O 3.55Å; H179-T219 WeakPolarHBondContact CA-O 3.45Å; H179-T219 PolarHBondContact ND1-O 3Å; H179-T219 PolarHBondContact ND1-OG1 3.19Å; K180-T219 PolarHBondContact N-O 3.01Å; K180-T219 VanDerWaalsContact N-O 3.12Å; T219-S225 VanDerWaalsContact CA-OG 3.31Å; T219-S225 WeakPolarHBondContact CA-OG 3.38Å; T219-I226 HydrophobicContact CG2-CD1 3.97Å; T219-A229 HydrophobicContact CG2-CB 3.59Å |
| 220 | S | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -136.9 | 151.3 | 167.3 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | D182 Y222 D223 S225 I226 | D182-S220 WeakPolarHBondContact CB-OG 3.44Å; S220-Y222 VanDerWaalsContact C-N 3.31Å; S220-Y222 PolarHBondContact OG-N 3.3Å; S220-Y222 VanDerWaalsContact OG-N 3.1Å; S220-D223 WeakPolarHBondContact CB-OD1 3.23Å; S220-D223 VanDerWaalsContact O-OD1 3.11Å; S220-S225 PolarHBondContact N-OG 3.47Å; S220-I226 VanDerWaalsContact O-CB 3.32Å; S220-I226 WeakPolarHBondContact O-CB 3.45Å; S220-I226 VanDerWaalsContact O-CG2 3.31Å; S220-I226 WeakPolarHBondContact O-CG2 3.42Å | ||
| 221 | I | 91.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.087 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -82.6 | -13.1 | 171.7 | 58.1 | 171.6 | 0 | 0 | 0 | 112.5 | I78 V81 P88 T91 | I78-I221 HydrophobicContact CG1-CG2 4.02Å; V81-I221 HydrophobicContact CG2-CB 4.29Å; V81-I221 HydrophobicContact CG2-CG2 4.36Å; P88-I221 HydrophobicContact CB-CD1 4.34Å; P88-I221 HydrophobicContact CB-CG1 4.36Å; P88-I221 WeakPolarHBondContact CG-O 3.27Å; T91-I221 HydrophobicContact CG2-CD1 4.48Å; T91-I221 WeakPolarHBondContact OG1-CD1 3.46Å |
| 222 | Y | 88.6 | Confident | 91 | Very high | 114 Ų | 114 | 32.3 Ų | 32.3 | 45% | 0.447 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -88.6 | -17.4 | -179.4 | -65.2 | -72.4 | 0 | 0 | 0 | 113.1 | P88 D182 S220 | P88-Y222 HydrophobicContact CB-CD1 3.67Å; P88-Y222 HydrophobicContact CB-CE1 3.75Å; D182-Y222 HydrophobicContact CB-CD2 4.06Å; S220-Y222 VanDerWaalsContact C-N 3.31Å; S220-Y222 PolarHBondContact OG-N 3.3Å; S220-Y222 VanDerWaalsContact OG-N 3.1Å |
| 223 | D | 86.6 | Confident | 91.2 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -116.4 | 177.5 | 174.7 | 66.1 | 18.7 | 0 | 0 | 0 | 110.4 | S220 S225 | S220-D223 WeakPolarHBondContact CB-OD1 3.23Å; S220-D223 VanDerWaalsContact O-OD1 3.11Å; D223-S225 VanDerWaalsContact CG-OG 3.3Å; D223-S225 PolarHBondContact O-N 3.3Å; D223-S225 WeakPolarHBondContact OD1-CB 3.38Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 3.39Å; D223-S225 PolarHBondContact OD2-OG 2.89Å |
| 224 | H | 87.3 | Confident | 91.2 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 15% | 0.153 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.6 | -179.8 | -69.4 | -98.2 | 0 | 0 | 0 | 113.4 | I226 F227 E228 M280 Y283 E284 D288 | H224-I226 VanDerWaalsContact C-N 3.25Å; H224-I226 PolarHBondContact O-N 3.49Å; H224-F227 PolarHBondContact O-N 3.14Å; H224-E228 PolarHBondContact O-N 3.23Å; H224-M280 HydrophobicContact CB-CE 3.63Å; H224-Y283 HydrophobicContact CB-CD1 4.28Å; H224-Y283 HydrophobicContact CB-CE1 4.08Å; H224-E284 IonicContact CD2-OE1 2.58Å; H224-D288 IonicContact CE1-OD1 3.6Å; H224-D288 IonicContact NE2-OD1 2.74Å |
| 225 | S | 91.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 8% | 0.084 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.8 | -31.1 | -170 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | T219 S220 D223 F227 E228 A229 M280 | T219-S225 VanDerWaalsContact CA-OG 3.31Å; T219-S225 WeakPolarHBondContact CA-OG 3.38Å; S220-S225 PolarHBondContact N-OG 3.47Å; D223-S225 VanDerWaalsContact CG-OG 3.3Å; D223-S225 PolarHBondContact O-N 3.3Å; D223-S225 WeakPolarHBondContact OD1-CB 3.38Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 3.39Å; D223-S225 PolarHBondContact OD2-OG 2.89Å; S225-F227 VanDerWaalsContact C-N 3.32Å; S225-F227 PolarHBondContact O-N 3.02Å; S225-E228 PolarHBondContact O-N 2.97Å; S225-A229 WeakPolarHBondContact O-CB 3.33Å; S225-A229 PolarHBondContact O-N 2.91Å; S225-M280 VanDerWaalsContact CA-CE 3.4Å |
| 226 | I | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 174.7 | -171.7 | 58.8 | 0 | 0 | 0 | 111.7 | I78 V82 F177 T219 S220 H224 A229 F230 | I78-I226 HydrophobicContact CD1-CD1 4.23Å; I78-I226 HydrophobicContact CG1-CD1 4.13Å; I78-I226 HydrophobicContact CG1-CG1 4.47Å; I78-I226 HydrophobicContact CG2-CD1 3.76Å; I78-I226 HydrophobicContact CG2-CG1 3.97Å; V82-I226 HydrophobicContact CG2-CG1 3.9Å; V82-I226 HydrophobicContact CG2-CG2 4.28Å; F177-I226 HydrophobicContact CD2-CD1 3.8Å; F177-I226 HydrophobicContact CE2-CD1 3.63Å; T219-I226 HydrophobicContact CG2-CD1 3.97Å; S220-I226 VanDerWaalsContact O-CB 3.32Å; S220-I226 WeakPolarHBondContact O-CB 3.45Å; S220-I226 VanDerWaalsContact O-CG2 3.31Å; S220-I226 WeakPolarHBondContact O-CG2 3.42Å; H224-I226 VanDerWaalsContact C-N 3.25Å; H224-I226 PolarHBondContact O-N 3.49Å; I226-A229 PolarHBondContact O-N 3.46Å; I226-F230 HydrophobicContact CD1-CD2 3.84Å; I226-F230 HydrophobicContact CD1-CE2 3.8Å; I226-F230 HydrophobicContact CG1-CD2 3.97Å; I226-F230 HydrophobicContact CG1-CE2 4.13Å; I226-F230 WeakPolarHBondContact O-CB 3.26Å; I226-F230 WeakPolarHBondContact O-CD2 3.4Å; I226-F230 PolarHBondContact O-N 3Å |
| 227 | F | 90.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 9% | 0.088 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70 | -36.8 | 178.5 | -62.1 | -89.5 | 0 | 0 | 0 | 111.2 | V81 V82 H224 S225 F230 S231 S267 K268 Y283 | V81-F227 HydrophobicContact CG1-CE2 4.48Å; V81-F227 HydrophobicContact CG1-CZ 4.27Å; V82-F227 HydrophobicContact CB-CE1 4.17Å; V82-F227 HydrophobicContact CG1-CD1 4.07Å; V82-F227 HydrophobicContact CG1-CE1 4.04Å; V82-F227 HydrophobicContact CG2-CD1 4.29Å; V82-F227 HydrophobicContact CG2-CE1 4.12Å; V82-F227 HydrophobicContact CG2-CZ 4.44Å; H224-F227 PolarHBondContact O-N 3.14Å; S225-F227 VanDerWaalsContact C-N 3.32Å; S225-F227 PolarHBondContact O-N 3.02Å; F227-F230 PolarHBondContact O-N 3.5Å; F227-S231 WeakPolarHBondContact O-CB 3.08Å; F227-S231 PolarHBondContact O-N 3.06Å; F227-S231 PolarHBondContact O-OG 3.27Å; F227-S267 WeakPolarHBondContact CD1-O 3.29Å; F227-S267 WeakPolarHBondContact CE1-O 3.32Å; F227-K268 HydrophobicContact CD1-CB 4.31Å; F227-Y283 HydrophobicContact CB-CE1 4.07Å; F227-Y283 WeakPolarHBondContact CB-OH 3.19Å |
| 228 | E | 89.9 | Confident | 89.6 | Confident | 31 Ų | 31 | 26.8 Ų | 26.8 | 15% | 0.145 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 174.2 | -165.7 | -152.2 | 163.4 | 0 | 0 | 111.3 | H224 S225 S231 K232 Y270 M280 Y283 | H224-E228 PolarHBondContact O-N 3.23Å; S225-E228 PolarHBondContact O-N 2.97Å; E228-S231 WeakPolarHBondContact O-CB 3.32Å; E228-S231 PolarHBondContact O-N 3.46Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 VanDerWaalsContact O-N 3.07Å; E228-K232 WeakPolarHBondContact OE1-CE 3.41Å; E228-K232 IonicContact OE1-NZ 2.7Å; E228-K232 PolarHBondContact OE1-NZ 3.25Å; E228-Y270 HydrophobicContact CG-CE1 4.17Å; E228-M280 HydrophobicContact CB-SD 4.22Å; E228-M280 HydrophobicContact CG-SD 4.43Å; E228-Y283 HydrophobicContact CB-CD1 4.35Å; E228-Y283 HydrophobicContact CB-CE1 4.19Å |
| 229 | A | 92.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | F177 Y217 T219 S225 I226 S231 K232 V233 | F177-A229 HydrophobicContact CE1-CB 3.81Å; F177-A229 HydrophobicContact CE2-CB 4.42Å; F177-A229 HydrophobicContact CZ-CB 3.76Å; Y217-A229 HydrophobicContact CD1-CB 4.2Å; Y217-A229 HydrophobicContact CG-CB 3.91Å; T219-A229 HydrophobicContact CG2-CB 3.59Å; S225-A229 WeakPolarHBondContact O-CB 3.33Å; S225-A229 PolarHBondContact O-N 2.91Å; I226-A229 PolarHBondContact O-N 3.46Å; A229-S231 VanDerWaalsContact C-N 3.28Å; A229-S231 PolarHBondContact O-N 3.35Å; A229-K232 PolarHBondContact O-N 3.43Å; A229-V233 WeakPolarHBondContact O-CG2 3.05Å; A229-V233 PolarHBondContact O-N 3.33Å |
| 230 | F | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.9 | -39.1 | 174.6 | -97.6 | -81.2 | 0 | 0 | 0 | 112.8 | L67 I78 V82 F83 I142 F177 I226 F227 K232 V233 V234 I269 | L67-F230 HydrophobicContact CD2-CZ 4.1Å; I78-F230 HydrophobicContact CG2-CD2 4.48Å; I78-F230 HydrophobicContact CG2-CE2 3.37Å; I78-F230 HydrophobicContact CG2-CZ 3.89Å; V82-F230 HydrophobicContact CG2-CD2 4.16Å; V82-F230 HydrophobicContact CG2-CE2 4.28Å; F83-F230 HydrophobicContact CE2-CD1 4.47Å; F83-F230 HydrophobicContact CE2-CE1 4.09Å; F83-F230 HydrophobicContact CE2-CZ 4.33Å; F83-F230 HydrophobicContact CZ-CD1 4.25Å; F83-F230 HydrophobicContact CZ-CE1 4.23Å; I142-F230 HydrophobicContact CD1-CD1 4.3Å; I142-F230 HydrophobicContact CD1-CE1 3.69Å; I142-F230 HydrophobicContact CD1-CZ 3.92Å; F177-F230 AromaticContact CE2-CD2 3.9Å; F177-F230 HydrophobicContact CE2-CD2 3.9Å; F177-F230 AromaticContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CZ 4.27Å; F177-F230 HydrophobicContact CZ-CD2 4.26Å; F177-F230 HydrophobicContact CZ-CE2 4.35Å; I226-F230 HydrophobicContact CD1-CD2 3.84Å; I226-F230 HydrophobicContact CD1-CE2 3.8Å; I226-F230 HydrophobicContact CG1-CD2 3.97Å; I226-F230 HydrophobicContact CG1-CE2 4.13Å; I226-F230 WeakPolarHBondContact O-CB 3.26Å; I226-F230 WeakPolarHBondContact O-CD2 3.4Å; I226-F230 PolarHBondContact O-N 3Å; F227-F230 PolarHBondContact O-N 3.5Å; F230-K232 VanDerWaalsContact C-N 3.34Å; F230-K232 PolarHBondContact O-N 2.91Å; F230-V233 PolarHBondContact O-N 3.32Å; F230-V234 WeakPolarHBondContact O-CB 3.43Å; F230-V234 VanDerWaalsContact O-CG2 3.27Å; F230-V234 WeakPolarHBondContact O-CG2 3.3Å; F230-V234 PolarHBondContact O-N 3Å; F230-I269 HydrophobicContact CB-CD1 4.19Å |
| 231 | S | 90.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | F227 E228 A229 V234 Q235 I269 Y270 | F227-S231 WeakPolarHBondContact O-CB 3.08Å; F227-S231 PolarHBondContact O-N 3.06Å; F227-S231 PolarHBondContact O-OG 3.27Å; E228-S231 WeakPolarHBondContact O-CB 3.32Å; E228-S231 PolarHBondContact O-N 3.46Å; A229-S231 VanDerWaalsContact C-N 3.28Å; A229-S231 PolarHBondContact O-N 3.35Å; S231-V234 PolarHBondContact O-N 3.29Å; S231-Q235 WeakPolarHBondContact O-CB 3.35Å; S231-Q235 VanDerWaalsContact O-CG 3.23Å; S231-Q235 WeakPolarHBondContact O-CG 3.26Å; S231-Q235 PolarHBondContact O-N 2.77Å; S231-I269 WeakPolarHBondContact OG-CA 3.39Å; S231-I269 WeakPolarHBondContact OG-CG2 2.94Å; S231-Y270 WeakPolarHBondContact CB-O 3.29Å; S231-Y270 WeakPolarHBondContact OG-CD1 2.96Å; S231-Y270 WeakPolarHBondContact OG-CE1 3.49Å; S231-Y270 PolarHBondContact OG-N 3.03Å |
| 232 | K | 90.7 | Very high | 87.9 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 30% | 0.296 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 174.1 | -67.9 | 176.6 | -175.6 | 166.1 | 0 | 112.2 | Y217 E228 A229 F230 K236 | Y217-K232 HydrophobicContact CD1-CD 4.26Å; Y217-K232 HydrophobicContact CE1-CB 4.05Å; Y217-K232 HydrophobicContact CE1-CD 3.64Å; Y217-K232 HydrophobicContact CE1-CG 4.49Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 VanDerWaalsContact O-N 3.07Å; E228-K232 WeakPolarHBondContact OE1-CE 3.41Å; E228-K232 IonicContact OE1-NZ 2.7Å; E228-K232 PolarHBondContact OE1-NZ 3.25Å; A229-K232 PolarHBondContact O-N 3.43Å; F230-K232 VanDerWaalsContact C-N 3.34Å; F230-K232 PolarHBondContact O-N 2.91Å; K232-K236 WeakPolarHBondContact O-CG 3.04Å; K232-K236 PolarHBondContact O-N 3.03Å |
| 233 | V | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 175.9 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | A140 I142 E175 F177 Y217 A229 F230 Q235 K236 L237 | A140-V233 HydrophobicContact CB-CG1 3.81Å; I142-V233 HydrophobicContact CD1-CG1 4.1Å; I142-V233 HydrophobicContact CD1-CG2 4.35Å; I142-V233 HydrophobicContact CG1-CG1 4.24Å; I142-V233 HydrophobicContact CG1-CG2 4.46Å; E175-V233 HydrophobicContact CB-CG2 4Å; E175-V233 HydrophobicContact CG-CG1 4.17Å; E175-V233 HydrophobicContact CG-CG2 3.72Å; F177-V233 HydrophobicContact CE1-CG2 4.08Å; F177-V233 HydrophobicContact CZ-CG2 4.1Å; Y217-V233 HydrophobicContact CE2-CG2 4.41Å; A229-V233 WeakPolarHBondContact O-CG2 3.05Å; A229-V233 PolarHBondContact O-N 3.33Å; F230-V233 PolarHBondContact O-N 3.32Å; V233-Q235 VanDerWaalsContact C-N 3.34Å; V233-Q235 PolarHBondContact O-N 2.99Å; V233-K236 PolarHBondContact O-N 2.71Å; V233-L237 WeakPolarHBondContact O-CG 3.41Å; V233-L237 PolarHBondContact O-N 3.07Å |
| 234 | V | 88 | Confident | 88.2 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 179.9 | 171.9 | 0 | 0 | 0 | 0 | 111 | I65 V111 F113 F230 S231 K236 L237 I238 I269 | I65-V234 HydrophobicContact CD1-CG2 4.3Å; V111-V234 HydrophobicContact CG1-CG1 3.97Å; V111-V234 HydrophobicContact CG2-CG1 4.37Å; F113-V234 HydrophobicContact CD1-CG2 4.36Å; F113-V234 HydrophobicContact CE1-CG1 4.38Å; F113-V234 HydrophobicContact CE1-CG2 3.58Å; F113-V234 HydrophobicContact CZ-CG2 4.24Å; F230-V234 WeakPolarHBondContact O-CB 3.43Å; F230-V234 VanDerWaalsContact O-CG2 3.27Å; F230-V234 WeakPolarHBondContact O-CG2 3.3Å; F230-V234 PolarHBondContact O-N 3Å; S231-V234 PolarHBondContact O-N 3.29Å; V234-K236 PolarHBondContact O-N 3.15Å; V234-L237 WeakPolarHBondContact O-CB 3.34Å; V234-L237 PolarHBondContact O-N 2.96Å; V234-I238 HydrophobicContact CG1-CD1 3.92Å; V234-I238 WeakPolarHBondContact O-CD1 3.42Å; V234-I238 WeakPolarHBondContact O-CG1 3.2Å; V234-I238 PolarHBondContact O-N 3.06Å; V234-I269 HydrophobicContact CB-CG2 4.25Å; V234-I269 HydrophobicContact CG1-CG2 4.46Å; V234-I269 HydrophobicContact CG2-CG2 4.29Å |
| 235 | Q | 87.8 | Confident | 88.4 | Confident | 21 Ų | 21 | 32 Ų | 32 | 10% | 0.098 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.8 | -47.9 | 174 | -85 | 170 | 16.2 | 0 | 0 | 112.7 | S231 V233 L237 I238 L241 Y270 I271 | S231-Q235 WeakPolarHBondContact O-CB 3.35Å; S231-Q235 VanDerWaalsContact O-CG 3.23Å; S231-Q235 WeakPolarHBondContact O-CG 3.26Å; S231-Q235 PolarHBondContact O-N 2.77Å; V233-Q235 VanDerWaalsContact C-N 3.34Å; V233-Q235 PolarHBondContact O-N 2.99Å; Q235-L237 PolarHBondContact O-N 3.15Å; Q235-L237 VanDerWaalsContact O-N 3.14Å; Q235-I238 PolarHBondContact O-N 3.05Å; Q235-L241 HydrophobicContact CB-CD1 4.4Å; Q235-L241 HydrophobicContact CB-CD2 3.8Å; Q235-L241 HydrophobicContact CG-CD1 3.98Å; Q235-L241 HydrophobicContact CG-CD2 4.23Å; Q235-Y270 PolarHBondContact NE2-O 2.89Å; Q235-I271 WeakPolarHBondContact CG-O 3.28Å |
| 236 | K | 87.9 | Confident | 88.5 | Confident | 87 Ų | 87 | 36 Ų | 36 | 38% | 0.378 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -21.2 | 177.5 | -67.5 | 175.4 | -178.9 | -178.8 | 0 | 113.5 | E175 S215 Y217 K232 V233 V234 | E175-K236 VanDerWaalsContact OE1-CD 3.27Å; E175-K236 WeakPolarHBondContact OE1-CD 3.38Å; E175-K236 IonicContact OE1-NZ 2.73Å; E175-K236 PolarHBondContact OE1-NZ 3.28Å; E175-K236 IonicContact OE2-NZ 2.78Å; E175-K236 PolarHBondContact OE2-NZ 3.35Å; S215-K236 PolarHBondContact OG-NZ 3.43Å; Y217-K236 PolarHBondContact OH-NZ 2.95Å; K232-K236 WeakPolarHBondContact O-CG 3.04Å; K232-K236 PolarHBondContact O-N 3.03Å; V233-K236 PolarHBondContact O-N 2.71Å; V234-K236 PolarHBondContact O-N 3.15Å |
| 237 | L | 83.8 | Confident | 88.6 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -85.3 | -13.3 | 176.9 | -64.6 | 174.1 | 0 | 0 | 0 | 113.4 | I65 G139 A140 V233 V234 Q235 P239 | I65-L237 HydrophobicContact CD1-CD1 3.71Å; I65-L237 HydrophobicContact CG1-CD1 3.65Å; G139-L237 WeakPolarHBondContact O-CD2 3.38Å; A140-L237 HydrophobicContact CB-CD1 4.09Å; A140-L237 HydrophobicContact CB-CD2 3.88Å; A140-L237 HydrophobicContact CB-CG 4.25Å; V233-L237 WeakPolarHBondContact O-CG 3.41Å; V233-L237 PolarHBondContact O-N 3.07Å; V234-L237 WeakPolarHBondContact O-CB 3.34Å; V234-L237 PolarHBondContact O-N 2.96Å; Q235-L237 PolarHBondContact O-N 3.15Å; Q235-L237 VanDerWaalsContact O-N 3.14Å; L237-P239 VanDerWaalsContact O-CD 3.27Å; L237-P239 WeakPolarHBondContact O-CD 3.25Å |
| 238 | I | 82 | Confident | 88.8 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | trans | -94.4 | 107.8 | -176.3 | -63.7 | 153.5 | 0 | 0 | 0 | 109.3 | F110 V234 Q235 Q240 L241 I271 | F110-I238 HydrophobicContact CD1-CD1 4.43Å; F110-I238 HydrophobicContact CE1-CD1 3.6Å; F110-I238 HydrophobicContact CE1-CG1 3.99Å; F110-I238 HydrophobicContact CE1-CG2 3.98Å; F110-I238 HydrophobicContact CZ-CD1 4.43Å; F110-I238 HydrophobicContact CZ-CG2 3.69Å; V234-I238 HydrophobicContact CG1-CD1 3.92Å; V234-I238 WeakPolarHBondContact O-CD1 3.42Å; V234-I238 WeakPolarHBondContact O-CG1 3.2Å; V234-I238 PolarHBondContact O-N 3.06Å; Q235-I238 PolarHBondContact O-N 3.05Å; I238-Q240 HydrophobicContact CG2-CB 4.49Å; I238-Q240 PolarHBondContact O-N 3.49Å; I238-Q240 VanDerWaalsContact O-N 3.16Å; I238-L241 HydrophobicContact CB-CB 4.42Å; I238-L241 HydrophobicContact CG2-CB 4.38Å; I238-L241 WeakPolarHBondContact O-CB 3.26Å; I238-L241 PolarHBondContact O-N 3.31Å; I238-I271 HydrophobicContact CD1-CG2 4.04Å | ||
| 239 | P | 78.3 | Confident | 89 | Confident | 111 Ų | 111 | 37.4 Ų | 37.4 | 72% | 0.721 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18.8 | -177.4 | 27 | -35.4 | 0 | 0 | 0 | 113.8 | L237 | L237-P239 VanDerWaalsContact O-CD 3.27Å; L237-P239 WeakPolarHBondContact O-CD 3.25Å |
| 240 | Q | 80.1 | Confident | 89.1 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 7.3 | -179.3 | -65.2 | 172 | -13 | 0 | 0 | 112.8 | I238 P242 T243 L244 | I238-Q240 HydrophobicContact CG2-CB 4.49Å; I238-Q240 PolarHBondContact O-N 3.49Å; I238-Q240 VanDerWaalsContact O-N 3.16Å; Q240-P242 VanDerWaalsContact C-CD 3.48Å; Q240-T243 WeakPolarHBondContact O-CB 3.13Å; Q240-T243 PolarHBondContact O-N 3.31Å; Q240-T243 VanDerWaalsContact O-N 3.09Å; Q240-L244 PolarHBondContact O-N 3.46Å |
| 241 | L | 86.4 | Confident | 89.3 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.5 | -45.9 | -178.3 | 179.2 | 68.7 | 0 | 0 | 0 | 112.8 | Q235 I238 T243 L244 E245 I271 A272 | Q235-L241 HydrophobicContact CB-CD1 4.4Å; Q235-L241 HydrophobicContact CB-CD2 3.8Å; Q235-L241 HydrophobicContact CG-CD1 3.98Å; Q235-L241 HydrophobicContact CG-CD2 4.23Å; I238-L241 HydrophobicContact CB-CB 4.42Å; I238-L241 HydrophobicContact CG2-CB 4.38Å; I238-L241 WeakPolarHBondContact O-CB 3.26Å; I238-L241 PolarHBondContact O-N 3.31Å; L241-T243 PolarHBondContact O-N 3Å; L241-T243 VanDerWaalsContact O-N 3.16Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 2.94Å; L241-E245 HydrophobicContact CD1-CG 4.13Å; L241-E245 HydrophobicContact CG-CG 4.15Å; L241-E245 WeakPolarHBondContact O-CG 3.33Å; L241-E245 PolarHBondContact O-N 3.29Å; L241-I271 WeakPolarHBondContact CD1-O 3.39Å; L241-A272 HydrophobicContact CD1-CB 4.05Å |
| 242 | P | 90.5 | Very high | 89.5 | Confident | 74 Ų | 74 | 43 Ų | 43 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -31.7 | -179.4 | -24.5 | 35.3 | 0 | 0 | 0 | 113.4 | Q240 N246 | Q240-P242 VanDerWaalsContact C-CD 3.48Å; P242-N246 WeakPolarHBondContact O-CB 3.23Å; P242-N246 PolarHBondContact O-N 2.82Å; P242-N246 PolarHBondContact O-ND2 3.18Å |
| 243 | T | 90.8 | Very high | 89.6 | Confident | 69 Ų | 69 | 44.4 Ų | 44.4 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.3 | -42.6 | 175.5 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | Q240 L241 N246 L247 V367 | Q240-T243 WeakPolarHBondContact O-CB 3.13Å; Q240-T243 PolarHBondContact O-N 3.31Å; Q240-T243 VanDerWaalsContact O-N 3.09Å; L241-T243 PolarHBondContact O-N 3Å; L241-T243 VanDerWaalsContact O-N 3.16Å; T243-N246 PolarHBondContact O-N 3.28Å; T243-L247 HydrophobicContact CG2-CD1 4.46Å; T243-L247 VanDerWaalsContact O-CG 3.31Å; T243-L247 WeakPolarHBondContact O-CG 3.31Å; T243-L247 PolarHBondContact O-N 3.43Å; T243-V367 HydrophobicContact CG2-CG2 4.08Å |
| 244 | L | 90.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 178.1 | -63.5 | 178.2 | 0 | 0 | 0 | 111.9 | F110 Q240 L241 N246 L247 L248 I271 A272 I364 V367 | F110-L244 HydrophobicContact CE1-CD1 4.16Å; F110-L244 HydrophobicContact CE2-CD1 4.24Å; F110-L244 HydrophobicContact CZ-CD1 3.51Å; Q240-L244 PolarHBondContact O-N 3.46Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 2.94Å; L244-N246 VanDerWaalsContact C-N 3.33Å; L244-N246 PolarHBondContact O-N 3.04Å; L244-L247 PolarHBondContact O-N 2.88Å; L244-L248 WeakPolarHBondContact O-CG 3.27Å; L244-L248 PolarHBondContact O-N 3.04Å; L244-I271 HydrophobicContact CD1-CG2 3.96Å; L244-A272 HydrophobicContact CB-CB 3.81Å; L244-A272 HydrophobicContact CD1-CB 4.28Å; L244-I364 HydrophobicContact CD2-CD1 3.35Å; L244-V367 HydrophobicContact CD2-CG1 4.49Å |
| 245 | E | 92.1 | Very high | 89.8 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.2 | -69.5 | 179.8 | 170.5 | 0 | 0 | 111 | L241 L247 L248 N249 | L241-E245 HydrophobicContact CD1-CG 4.13Å; L241-E245 HydrophobicContact CG-CG 4.15Å; L241-E245 WeakPolarHBondContact O-CG 3.33Å; L241-E245 PolarHBondContact O-N 3.29Å; E245-L247 PolarHBondContact O-N 3Å; E245-L248 PolarHBondContact O-N 3.45Å; E245-N249 WeakPolarHBondContact O-CB 3.5Å; E245-N249 PolarHBondContact O-N 3.37Å; E245-N249 PolarHBondContact O-ND2 3.34Å; E245-N249 VanDerWaalsContact O-ND2 3.08Å |
| 246 | N | 93.7 | Very high | 89.9 | Confident | 96 Ų | 96 | 50.4 Ų | 50.4 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.9 | -75.7 | -31.9 | 0 | 0 | 0 | 112.6 | P242 T243 L244 L248 N249 I250 | P242-N246 WeakPolarHBondContact O-CB 3.23Å; P242-N246 PolarHBondContact O-N 2.82Å; P242-N246 PolarHBondContact O-ND2 3.18Å; T243-N246 PolarHBondContact O-N 3.28Å; L244-N246 VanDerWaalsContact C-N 3.33Å; L244-N246 PolarHBondContact O-N 3.04Å; N246-L248 VanDerWaalsContact C-N 3.35Å; N246-N249 PolarHBondContact O-N 2.89Å; N246-I250 VanDerWaalsContact O-CG1 3.27Å; N246-I250 WeakPolarHBondContact O-CG1 3.34Å; N246-I250 PolarHBondContact O-N 2.89Å |
| 247 | L | 94.2 | Very high | 90.2 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 175.2 | -73.2 | 174.5 | 0 | 0 | 0 | 111.7 | T243 L244 E245 I250 F251 F360 A363 I364 V367 | T243-L247 HydrophobicContact CG2-CD1 4.46Å; T243-L247 VanDerWaalsContact O-CG 3.31Å; T243-L247 WeakPolarHBondContact O-CG 3.31Å; T243-L247 PolarHBondContact O-N 3.43Å; L244-L247 PolarHBondContact O-N 2.88Å; E245-L247 PolarHBondContact O-N 3Å; L247-I250 PolarHBondContact O-N 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.46Å; L247-F251 PolarHBondContact O-N 2.94Å; L247-F360 HydrophobicContact CB-CD2 4.05Å; L247-F360 HydrophobicContact CB-CE2 3.82Å; L247-A363 HydrophobicContact CD1-CB 4.14Å; L247-A363 HydrophobicContact CD2-CB 3.92Å; L247-I364 HydrophobicContact CD1-CD1 3.94Å; L247-V367 HydrophobicContact CD1-CG2 4.16Å |
| 248 | L | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174.5 | -74.7 | 171.7 | 0 | 0 | 0 | 111.2 | L244 E245 N246 I250 F251 I252 A260 A272 L338 F360 | L244-L248 WeakPolarHBondContact O-CG 3.27Å; L244-L248 PolarHBondContact O-N 3.04Å; E245-L248 PolarHBondContact O-N 3.45Å; N246-L248 VanDerWaalsContact C-N 3.35Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 2.87Å; L248-F251 PolarHBondContact O-N 3.39Å; L248-I252 WeakPolarHBondContact O-CB 3.48Å; L248-I252 WeakPolarHBondContact O-CG1 3.25Å; L248-I252 PolarHBondContact O-N 2.86Å; L248-A260 HydrophobicContact CD2-CB 4.4Å; L248-A272 HydrophobicContact CD1-CB 3.75Å; L248-L338 HydrophobicContact CD2-CD1 3.6Å; L248-F360 HydrophobicContact CD2-CE1 4.44Å; L248-F360 HydrophobicContact CD2-CE2 3.77Å; L248-F360 HydrophobicContact CD2-CZ 3.53Å; L248-F360 HydrophobicContact CG-CE2 4.07Å; L248-F360 HydrophobicContact CG-CZ 4.13Å |
| 249 | N | 94.4 | Very high | 91.1 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.9 | -70.5 | -37.5 | 0 | 0 | 0 | 111.8 | E245 N246 S253 S275 | E245-N249 WeakPolarHBondContact O-CB 3.5Å; E245-N249 PolarHBondContact O-N 3.37Å; E245-N249 PolarHBondContact O-ND2 3.34Å; E245-N249 VanDerWaalsContact O-ND2 3.08Å; N246-N249 PolarHBondContact O-N 2.89Å; N249-S253 VanDerWaalsContact O-CB 3.24Å; N249-S253 WeakPolarHBondContact O-CB 3.19Å; N249-S253 PolarHBondContact O-N 3.47Å; N249-S275 PolarHBondContact OD1-N 3.02Å; N249-S275 VanDerWaalsContact OD1-N 3.1Å; N249-S275 PolarHBondContact OD1-OG 2.79Å |
| 250 | I | 94.6 | Very high | 91.9 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 175.6 | -68.3 | 165.1 | 0 | 0 | 0 | 110.8 | N246 L247 L248 N254 | N246-I250 VanDerWaalsContact O-CG1 3.27Å; N246-I250 WeakPolarHBondContact O-CG1 3.34Å; N246-I250 PolarHBondContact O-N 2.89Å; L247-I250 PolarHBondContact O-N 3.29Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 2.87Å; I250-N254 WeakPolarHBondContact O-CB 3.47Å; I250-N254 PolarHBondContact O-N 3.15Å; I250-N254 PolarHBondContact O-ND2 3.23Å |
| 251 | F | 94.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 179.8 | 170.6 | -110.7 | 0 | 0 | 0 | 112 | L247 L248 S255 I257 L338 I353 N356 F357 F360 | L247-F251 WeakPolarHBondContact O-CB 3.46Å; L247-F251 PolarHBondContact O-N 2.94Å; L248-F251 PolarHBondContact O-N 3.39Å; F251-S255 WeakPolarHBondContact O-CB 3.48Å; F251-S255 PolarHBondContact O-N 3.32Å; F251-S255 VanDerWaalsContact O-N 3.13Å; F251-S255 PolarHBondContact O-OG 3.26Å; F251-I257 HydrophobicContact CD1-CD1 3.94Å; F251-I257 HydrophobicContact CE1-CD1 3.16Å; F251-I257 HydrophobicContact CE2-CD1 4.26Å; F251-I257 HydrophobicContact CZ-CD1 3.36Å; F251-L338 HydrophobicContact CD1-CD2 4.14Å; F251-L338 HydrophobicContact CE1-CD2 3.55Å; F251-L338 HydrophobicContact CZ-CD2 4.07Å; F251-I353 HydrophobicContact CZ-CG2 4.27Å; F251-N356 HydrophobicContact CD2-CB 3.92Å; F251-N356 HydrophobicContact CE2-CB 3.96Å; F251-F357 HydrophobicContact CE2-CB 3.88Å; F251-F357 HydrophobicContact CZ-CB 4.23Å; F251-F357 HydrophobicContact CZ-CD2 4.29Å; F251-F360 HydrophobicContact CB-CB 4.42Å; F251-F360 HydrophobicContact CB-CD2 4.05Å; F251-F360 HydrophobicContact CB-CG 4.38Å; F251-F360 HydrophobicContact CD2-CB 4.2Å; F251-F360 HydrophobicContact CG-CB 4.39Å; F251-F360 HydrophobicContact CG-CG 4.42Å |
| 252 | I | 93.8 | Very high | 92.9 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -49 | -178.2 | -68.6 | 169 | 0 | 0 | 0 | 110.8 | L248 N254 S255 G256 I257 A260 D274 | L248-I252 WeakPolarHBondContact O-CB 3.48Å; L248-I252 WeakPolarHBondContact O-CG1 3.25Å; L248-I252 PolarHBondContact O-N 2.86Å; I252-N254 VanDerWaalsContact C-N 3.28Å; I252-N254 PolarHBondContact O-N 3.33Å; I252-S255 PolarHBondContact O-N 3.45Å; I252-G256 PolarHBondContact O-N 3.13Å; I252-I257 HydrophobicContact CB-CB 4.35Å; I252-I257 HydrophobicContact CG1-CB 4.27Å; I252-I257 HydrophobicContact CG1-CG2 4.18Å; I252-I257 HydrophobicContact CG2-CB 4.04Å; I252-I257 HydrophobicContact CG2-CG2 4.4Å; I252-I257 WeakPolarHBondContact CG2-O 3.06Å; I252-I257 PolarHBondContact O-N 2.93Å; I252-A260 HydrophobicContact CD1-CB 3.65Å; I252-A260 HydrophobicContact CG1-CB 3.89Å; I252-D274 HydrophobicContact CD1-CB 3.26Å |
| 253 | S | 93.1 | Very high | 93 | Very high | 98 Ų | 98 | 37.6 Ų | 37.6 | 69% | 0.685 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.2 | -36.1 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | N249 | N249-S253 VanDerWaalsContact O-CB 3.24Å; N249-S253 WeakPolarHBondContact O-CB 3.19Å; N249-S253 PolarHBondContact O-N 3.47Å |
| 254 | N | 92.5 | Very high | 92.8 | Very high | 111 Ų | 111 | 34.6 Ų | 34.6 | 59% | 0.594 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -83.4 | -18.8 | -179.5 | -70.5 | -23.5 | 0 | 0 | 0 | 113.4 | I250 I252 N356 | I250-N254 WeakPolarHBondContact O-CB 3.47Å; I250-N254 PolarHBondContact O-N 3.15Å; I250-N254 PolarHBondContact O-ND2 3.23Å; I252-N254 VanDerWaalsContact C-N 3.28Å; I252-N254 PolarHBondContact O-N 3.33Å; N254-N356 PolarHBondContact O-ND2 2.76Å |
| 255 | S | 91.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -105.6 | -7.4 | -174.2 | -53.8 | 0 | 0 | 0 | 0 | 113.4 | F251 I252 I257 N356 | F251-S255 WeakPolarHBondContact O-CB 3.48Å; F251-S255 PolarHBondContact O-N 3.32Å; F251-S255 VanDerWaalsContact O-N 3.13Å; F251-S255 PolarHBondContact O-OG 3.26Å; I252-S255 PolarHBondContact O-N 3.45Å; S255-I257 VanDerWaalsContact C-N 3.3Å; S255-N356 WeakPolarHBondContact OG-CB 3.4Å; S255-N356 PolarHBondContact OG-ND2 3.3Å |
| 256 | G | 89.8 | Confident | 92.1 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 32% | 0.32 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 34.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I252 S346 | I252-G256 PolarHBondContact O-N 3.13Å; G256-S346 WeakPolarHBondContact O-CB 3.42Å; G256-S346 PolarHBondContact O-OG 2.93Å |
| 257 | I | 93.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 145.1 | 176.2 | -62.2 | 173.7 | 0 | 0 | 0 | 107.5 | F251 I252 S255 K259 A260 C340 F341 V342 I353 | F251-I257 HydrophobicContact CD1-CD1 3.94Å; F251-I257 HydrophobicContact CE1-CD1 3.16Å; F251-I257 HydrophobicContact CE2-CD1 4.26Å; F251-I257 HydrophobicContact CZ-CD1 3.36Å; I252-I257 HydrophobicContact CB-CB 4.35Å; I252-I257 HydrophobicContact CG1-CB 4.27Å; I252-I257 HydrophobicContact CG1-CG2 4.18Å; I252-I257 HydrophobicContact CG2-CB 4.04Å; I252-I257 HydrophobicContact CG2-CG2 4.4Å; I252-I257 WeakPolarHBondContact CG2-O 3.06Å; I252-I257 PolarHBondContact O-N 2.93Å; S255-I257 VanDerWaalsContact C-N 3.3Å; I257-K259 VanDerWaalsContact CG2-O 3.27Å; I257-K259 WeakPolarHBondContact CG2-O 3.39Å; I257-A260 HydrophobicContact CG2-CB 4.48Å; I257-C340 HydrophobicContact CD1-CB 4.32Å; I257-C340 HydrophobicContact CG2-CB 3.91Å; I257-F341 VanDerWaalsContact CG2-O 3.29Å; I257-F341 WeakPolarHBondContact CG2-O 3.44Å; I257-V342 HydrophobicContact CG1-CG2 3.99Å; I257-V342 HydrophobicContact CG2-CG2 4.39Å; I257-I353 HydrophobicContact CD1-CG2 4.39Å |
| 258 | E | 91.6 | Very high | 91.1 | Very high | 87 Ų | 87 | 30.8 Ų | 30.8 | 41% | 0.407 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -41.5 | 178.8 | -66.1 | -170 | 145.7 | 0 | 0 | 111.9 | F341 R343 | E258-F341 PolarHBondContact N-O 3.32Å; E258-R343 HydrophobicContact CG-CG 4.31Å; E258-R343 WeakPolarHBondContact OE1-CG 3.31Å; E258-R343 IonicContact OE1-CZ 2.82Å; E258-R343 IonicContact OE1-NE 3.4Å; E258-R343 PolarHBondContact OE1-NE 2.87Å; E258-R343 IonicContact OE1-NH2 3.05Å; E258-R343 PolarHBondContact OE1-NH2 3.38Å; E258-R343 IonicContact OE2-CZ 3.67Å; E258-R343 IonicContact OE2-NE 3.93Å; E258-R343 PolarHBondContact OE2-NE 3.22Å; E258-R343 IonicContact OE2-NH2 3.97Å |
| 259 | K | 93.4 | Very high | 90.8 | Very high | 15 Ų | 15 | 31 Ų | 31 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 143.9 | -176.9 | -170.2 | 73.9 | -173 | 148.9 | 0 | 110.2 | I257 F261 T273 D274 T276 T282 C340 F341 | I257-K259 VanDerWaalsContact CG2-O 3.27Å; I257-K259 WeakPolarHBondContact CG2-O 3.39Å; K259-F261 HydrophobicContact CD-CE2 4.37Å; K259-F261 HydrophobicContact CD-CZ 4.21Å; K259-F261 VanDerWaalsContact CE-CZ 3.43Å; K259-F261 HydrophobicContact CG-CD2 4.22Å; K259-F261 HydrophobicContact CG-CE2 3.43Å; K259-F261 VanDerWaalsContact CG-CE2 3.43Å; K259-F261 HydrophobicContact CG-CZ 3.75Å; K259-T273 WeakPolarHBondContact CE-OG1 3.38Å; K259-T273 PolarHBondContact NZ-OG1 2.92Å; K259-D274 WeakPolarHBondContact CD-OD1 3.18Å; K259-D274 WeakPolarHBondContact CE-OD1 3.41Å; K259-D274 VanDerWaalsContact NZ-CG 3.33Å; K259-D274 IonicContact NZ-OD1 3.53Å; K259-D274 PolarHBondContact NZ-OD1 2.84Å; K259-D274 IonicContact NZ-OD2 2.79Å; K259-D274 PolarHBondContact NZ-OD2 3.05Å; K259-T276 WeakPolarHBondContact CD-OG1 3.46Å; K259-T276 WeakPolarHBondContact CE-OG1 3.34Å; K259-T276 PolarHBondContact NZ-O 3.38Å; K259-T276 PolarHBondContact NZ-OG1 2.86Å; K259-T282 HydrophobicContact CG-CG2 4.41Å; K259-C340 CarbonylContact O-C 3.58Å; K259-C340 WeakPolarHBondContact O-CA 3.46Å; K259-F341 HydrophobicContact CB-CB 4.16Å; K259-F341 HydrophobicContact CB-CD2 4.02Å; K259-F341 HydrophobicContact CB-CG 4.43Å; K259-F341 HydrophobicContact CG-CD2 4.42Å; K259-F341 PolarHBondContact O-N 3.25Å |
| 260 | A | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L248 I252 I257 T273 D274 L338 V339 | L248-A260 HydrophobicContact CD2-CB 4.4Å; I252-A260 HydrophobicContact CD1-CB 3.65Å; I252-A260 HydrophobicContact CG1-CB 3.89Å; I257-A260 HydrophobicContact CG2-CB 4.48Å; A260-T273 PolarHBondContact O-OG1 2.76Å; A260-D274 PolarHBondContact N-OD1 2.95Å; A260-L338 HydrophobicContact CB-CD1 4.26Å; A260-V339 CarbonylContact C-O 3.57Å; A260-V339 WeakPolarHBondContact CA-O 3.48Å |
| 261 | F | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.6 | 179.3 | -63.1 | -84.4 | 0 | 0 | 0 | 109.8 | K259 F263 Y270 T273 V278 T282 L338 V339 F341 | K259-F261 HydrophobicContact CD-CE2 4.37Å; K259-F261 HydrophobicContact CD-CZ 4.21Å; K259-F261 VanDerWaalsContact CE-CZ 3.43Å; K259-F261 HydrophobicContact CG-CD2 4.22Å; K259-F261 HydrophobicContact CG-CE2 3.43Å; K259-F261 VanDerWaalsContact CG-CE2 3.43Å; K259-F261 HydrophobicContact CG-CZ 3.75Å; F261-F263 HydrophobicContact CB-CD2 3.51Å; F261-F263 HydrophobicContact CB-CE2 3.16Å; F261-F263 HydrophobicContact CB-CZ 4.06Å; F261-F263 HydrophobicContact CD1-CE2 4.47Å; F261-F263 HydrophobicContact CD2-CE2 4.24Å; F261-F263 AromaticContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CZ 4.3Å; F261-Y270 HydrophobicContact CD1-CD2 4.09Å; F261-Y270 HydrophobicContact CD1-CG 4.22Å; F261-T273 WeakPolarHBondContact CD1-OG1 3.45Å; F261-T273 WeakPolarHBondContact CE1-OG1 3.46Å; F261-V278 HydrophobicContact CE1-CB 4.47Å; F261-V278 HydrophobicContact CE1-CG1 3.82Å; F261-V278 HydrophobicContact CE1-CG2 3.9Å; F261-V278 HydrophobicContact CZ-CG1 4.03Å; F261-V278 HydrophobicContact CZ-CG2 4.5Å; F261-T282 HydrophobicContact CE2-CG2 3.88Å; F261-T282 HydrophobicContact CZ-CG2 4.29Å; F261-L338 WeakPolarHBondContact O-CA 3.1Å; F261-V339 PolarHBondContact N-O 2.83Å; F261-V339 PolarHBondContact O-N 2.92Å; F261-F341 HydrophobicContact CD2-CE2 4.33Å; F261-F341 HydrophobicContact CE2-CD2 4.4Å; F261-F341 HydrophobicContact CE2-CE2 4.01Å |
| 262 | L | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 102.6 | 170.7 | -173 | 66.6 | 0 | 0 | 0 | 108.6 | Y270 I271 A272 V332 L336 A337 L338 | L262-Y270 CarbonylContact O-C 3.55Å; L262-Y270 WeakPolarHBondContact O-CA 3.4Å; L262-I271 HydrophobicContact CD2-CG2 4.27Å; L262-I271 PolarHBondContact O-N 3.49Å; L262-A272 HydrophobicContact CB-CB 4.4Å; L262-A272 PolarHBondContact N-O 2.84Å; L262-V332 HydrophobicContact CD1-CB 4.32Å; L262-V332 HydrophobicContact CD1-CG1 4.48Å; L262-V332 HydrophobicContact CD1-CG2 3.89Å; L262-L336 HydrophobicContact CD1-CB 4.22Å; L262-L336 HydrophobicContact CD2-CD1 4.3Å; L262-L336 HydrophobicContact CG-CD1 4.48Å; L262-A337 CarbonylContact C-O 3.59Å; L262-L338 HydrophobicContact CD1-CD1 4.46Å |
| 263 | F | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 144.4 | -175.7 | -81.6 | -85.8 | 0 | 0 | 0 | 112.5 | F261 K268 Y283 C286 I290 L336 A337 V339 | F261-F263 HydrophobicContact CB-CD2 3.51Å; F261-F263 HydrophobicContact CB-CE2 3.16Å; F261-F263 HydrophobicContact CB-CZ 4.06Å; F261-F263 HydrophobicContact CD1-CE2 4.47Å; F261-F263 HydrophobicContact CD2-CE2 4.24Å; F261-F263 AromaticContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CZ 4.3Å; F263-K268 WeakPolarHBondContact CD1-O 3.18Å; F263-K268 WeakPolarHBondContact CE1-O 3.5Å; F263-Y283 HydrophobicContact CE1-CD2 4.03Å; F263-Y283 AromaticContact CE1-CE2 3.39Å; F263-Y283 HydrophobicContact CE1-CE2 3.39Å; F263-Y283 AromaticContact CZ-CD2 3.74Å; F263-Y283 HydrophobicContact CZ-CD2 3.74Å; F263-Y283 AromaticContact CZ-CE2 3.61Å; F263-Y283 HydrophobicContact CZ-CE2 3.61Å; F263-C286 HydrophobicContact CE2-CB 3.46Å; F263-C286 VanDerWaalsContact CE2-CB 3.46Å; F263-C286 HydrophobicContact CZ-CB 3.49Å; F263-C286 VanDerWaalsContact CZ-CB 3.49Å; F263-I290 HydrophobicContact CB-CD1 3.68Å; F263-I290 HydrophobicContact CD1-CD1 3.83Å; F263-I290 HydrophobicContact CD2-CD1 3.94Å; F263-I290 HydrophobicContact CE1-CD1 4.38Å; F263-I290 HydrophobicContact CE2-CD1 4.48Å; F263-I290 HydrophobicContact CG-CD1 3.57Å; F263-L336 CarbonylContact O-C 3.59Å; F263-L336 VanDerWaalsContact O-CA 3.23Å; F263-L336 WeakPolarHBondContact O-CA 3.49Å; F263-A337 PolarHBondContact N-O 3.36Å; F263-A337 PolarHBondContact O-N 3.46Å; F263-V339 HydrophobicContact CD2-CB 4.11Å; F263-V339 HydrophobicContact CD2-CG2 3.79Å; F263-V339 HydrophobicContact CE2-CB 4.23Å; F263-V339 HydrophobicContact CE2-CG2 4.26Å |
| 264 | D | 87.6 | Confident | 90.1 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.7 | 155.7 | -177.5 | 68.6 | 0 | 0 | 0 | 109.4 | S108 V266 S267 K268 I269 I271 F335 L336 | S108-D264 WeakPolarHBondContact CB-OD1 3.47Å; S108-D264 PolarHBondContact OG-OD1 3.41Å; D264-V266 VanDerWaalsContact C-N 3.29Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-S267 WeakPolarHBondContact CB-OG 3.3Å; D264-S267 WeakPolarHBondContact OD2-CB 3.48Å; D264-S267 PolarHBondContact OD2-N 3.11Å; D264-S267 VanDerWaalsContact OD2-N 3.11Å; D264-S267 PolarHBondContact OD2-OG 3.41Å; D264-K268 VanDerWaalsContact O-CA 3.26Å; D264-K268 WeakPolarHBondContact O-CA 3.46Å; D264-K268 PolarHBondContact O-N 2.62Å; D264-I269 PolarHBondContact N-O 3.41Å; D264-I271 HydrophobicContact CB-CD1 4.2Å; D264-F335 WeakPolarHBondContact CA-O 3.11Å; D264-L336 HydrophobicContact CB-CD2 4.27Å |
| 265 | V | 85 | Confident | 89.9 | Confident | 11 Ų | 11 | 18.8 Ų | 18.8 | 7% | 0.067 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -33.2 | -170.1 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | I290 I294 Y311 F335 A337 | V265-I290 HydrophobicContact CG1-CG2 4.2Å; V265-I294 HydrophobicContact CG1-CD1 3.57Å; V265-I294 HydrophobicContact CG1-CG1 3.81Å; V265-Y311 HydrophobicContact CG1-CD2 4.48Å; V265-Y311 HydrophobicContact CG2-CD2 4.37Å; V265-Y311 HydrophobicContact CG2-CE1 4.08Å; V265-Y311 HydrophobicContact CG2-CE2 3.91Å; V265-F335 PolarHBondContact N-O 2.87Å; V265-A337 HydrophobicContact CG2-CB 3.65Å |
| 266 | V | 82.4 | Confident | 89.7 | Confident | 64 Ų | 64 | 21.2 Ų | 21.2 | 39% | 0.388 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -51.9 | -176.6 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | K85 D264 | K85-V266 WeakPolarHBondContact CE-O 3.41Å; D264-V266 VanDerWaalsContact C-N 3.29Å; D264-V266 PolarHBondContact O-N 3.44Å |
| 267 | S | 80.8 | Confident | 89.5 | Confident | 10 Ų | 10 | 25.6 Ų | 25.6 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.1 | -175.9 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | F227 D264 I269 | F227-S267 WeakPolarHBondContact CD1-O 3.29Å; F227-S267 WeakPolarHBondContact CE1-O 3.32Å; D264-S267 WeakPolarHBondContact CB-OG 3.3Å; D264-S267 WeakPolarHBondContact OD2-CB 3.48Å; D264-S267 PolarHBondContact OD2-N 3.11Å; D264-S267 VanDerWaalsContact OD2-N 3.11Å; D264-S267 PolarHBondContact OD2-OG 3.41Å; S267-I269 PolarHBondContact O-N 2.9Å; S267-I269 VanDerWaalsContact O-N 3.14Å; S267-I269 WeakPolarHBondContact OG-CB 3.23Å; S267-I269 PolarHBondContact OG-N 2.97Å |
| 268 | K | 85.7 | Confident | 89.2 | Confident | 29 Ų | 29 | 26.8 Ų | 26.8 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | trans | 59.6 | 14 | -171.5 | -50.7 | 178.9 | -171.6 | -178.6 | 0 | 113.7 | F227 F263 D264 Y283 C287 D291 | F227-K268 HydrophobicContact CD1-CB 4.31Å; F263-K268 WeakPolarHBondContact CD1-O 3.18Å; F263-K268 WeakPolarHBondContact CE1-O 3.5Å; D264-K268 VanDerWaalsContact O-CA 3.26Å; D264-K268 WeakPolarHBondContact O-CA 3.46Å; D264-K268 PolarHBondContact O-N 2.62Å; K268-Y283 PolarHBondContact O-OH 2.8Å; K268-C287 HydrophobicContact CD-CB 4.36Å; K268-D291 WeakPolarHBondContact CE-OD1 3.32Å; K268-D291 IonicContact NZ-OD1 3.83Å; K268-D291 PolarHBondContact NZ-OD1 3.38Å; K268-D291 IonicContact NZ-OD2 2.7Å; K268-D291 PolarHBondContact NZ-OD2 2.95Å | ||
| 269 | I | 88.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | trans | -79.2 | 130.4 | 177.7 | -65.1 | 177.2 | 0 | 0 | 0 | 108.5 | V82 F83 F230 S231 V234 D264 S267 | V82-I269 HydrophobicContact CG1-CD1 4.13Å; F83-I269 HydrophobicContact CE1-CD1 3.98Å; F83-I269 HydrophobicContact CZ-CD1 3.97Å; F230-I269 HydrophobicContact CB-CD1 4.19Å; S231-I269 WeakPolarHBondContact OG-CA 3.39Å; S231-I269 WeakPolarHBondContact OG-CG2 2.94Å; V234-I269 HydrophobicContact CB-CG2 4.25Å; V234-I269 HydrophobicContact CG1-CG2 4.46Å; V234-I269 HydrophobicContact CG2-CG2 4.29Å; D264-I269 PolarHBondContact N-O 3.41Å; S267-I269 PolarHBondContact O-N 2.9Å; S267-I269 VanDerWaalsContact O-N 3.14Å; S267-I269 WeakPolarHBondContact OG-CB 3.23Å; S267-I269 PolarHBondContact OG-N 2.97Å | ||
| 270 | Y | 91.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 119.9 | 172.3 | 70.7 | -79.9 | 0 | 0 | 0 | 110.8 | E228 S231 Q235 F261 L262 T273 V278 Y283 | E228-Y270 HydrophobicContact CG-CE1 4.17Å; S231-Y270 WeakPolarHBondContact CB-O 3.29Å; S231-Y270 WeakPolarHBondContact OG-CD1 2.96Å; S231-Y270 WeakPolarHBondContact OG-CE1 3.49Å; S231-Y270 PolarHBondContact OG-N 3.03Å; Q235-Y270 PolarHBondContact NE2-O 2.89Å; F261-Y270 HydrophobicContact CD1-CD2 4.09Å; F261-Y270 HydrophobicContact CD1-CG 4.22Å; L262-Y270 CarbonylContact O-C 3.55Å; L262-Y270 WeakPolarHBondContact O-CA 3.4Å; Y270-T273 HydrophobicContact CD2-CG2 4.2Å; Y270-T273 HydrophobicContact CE2-CG2 3.83Å; Y270-V278 HydrophobicContact CE2-CG2 4.3Å; Y270-Y283 AromaticContact CD1-CD2 3.78Å; Y270-Y283 HydrophobicContact CD1-CD2 3.78Å; Y270-Y283 AromaticContact CD1-CE2 3.29Å; Y270-Y283 HydrophobicContact CD1-CE2 3.29Å; Y270-Y283 AromaticContact CE1-CD2 3.99Å; Y270-Y283 HydrophobicContact CE1-CD2 3.99Å; Y270-Y283 AromaticContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CG-CE2 4.28Å |
| 271 | I | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -37.3 | -177.5 | -81.6 | 152.8 | 0 | 0 | 0 | 112.2 | F110 V111 Q235 I238 L241 L244 L262 D264 L336 | F110-I271 HydrophobicContact CB-CD1 4.27Å; F110-I271 HydrophobicContact CD1-CB 4.22Å; F110-I271 HydrophobicContact CD1-CD1 3.44Å; F110-I271 VanDerWaalsContact CD1-CD1 3.44Å; F110-I271 HydrophobicContact CD1-CG1 3.71Å; F110-I271 HydrophobicContact CD1-CG2 3.52Å; F110-I271 HydrophobicContact CE1-CB 4.2Å; F110-I271 HydrophobicContact CE1-CD1 4.24Å; F110-I271 HydrophobicContact CE1-CG1 4.09Å; F110-I271 HydrophobicContact CE1-CG2 3.1Å; F110-I271 HydrophobicContact CG-CD1 4.14Å; F110-I271 HydrophobicContact CZ-CG2 3.93Å; V111-I271 HydrophobicContact CG2-CD1 3.72Å; V111-I271 HydrophobicContact CG2-CG1 3.77Å; Q235-I271 WeakPolarHBondContact CG-O 3.28Å; I238-I271 HydrophobicContact CD1-CG2 4.04Å; L241-I271 WeakPolarHBondContact CD1-O 3.39Å; L244-I271 HydrophobicContact CD1-CG2 3.96Å; L262-I271 HydrophobicContact CD2-CG2 4.27Å; L262-I271 PolarHBondContact O-N 3.49Å; D264-I271 HydrophobicContact CB-CD1 4.2Å; I271-L336 HydrophobicContact CD1-CD1 4.3Å; I271-L336 HydrophobicContact CD1-CD2 3.16Å; I271-L336 HydrophobicContact CD1-CG 4.36Å |
| 272 | A | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 148.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L241 L244 L248 L262 | L241-A272 HydrophobicContact CD1-CB 4.05Å; L244-A272 HydrophobicContact CB-CB 3.81Å; L244-A272 HydrophobicContact CD1-CB 4.28Å; L248-A272 HydrophobicContact CD1-CB 3.75Å; L262-A272 HydrophobicContact CB-CB 4.4Å; L262-A272 PolarHBondContact N-O 2.84Å |
| 273 | T | 93.6 | Very high | 88.2 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 170.5 | 170.5 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | K259 A260 F261 Y270 V278 | K259-T273 WeakPolarHBondContact CE-OG1 3.38Å; K259-T273 PolarHBondContact NZ-OG1 2.92Å; A260-T273 PolarHBondContact O-OG1 2.76Å; F261-T273 WeakPolarHBondContact CD1-OG1 3.45Å; F261-T273 WeakPolarHBondContact CE1-OG1 3.46Å; Y270-T273 HydrophobicContact CD2-CG2 4.2Å; Y270-T273 HydrophobicContact CE2-CG2 3.83Å; T273-V278 HydrophobicContact CG2-CG2 3.77Å |
| 274 | D | 91.2 | Very high | 88.2 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | trans | -75.8 | 172.3 | 174.1 | 66.9 | -70.3 | 0 | 0 | 0 | 112.5 | I252 K259 A260 T276 | I252-D274 HydrophobicContact CD1-CB 3.26Å; K259-D274 WeakPolarHBondContact CD-OD1 3.18Å; K259-D274 WeakPolarHBondContact CE-OD1 3.41Å; K259-D274 VanDerWaalsContact NZ-CG 3.33Å; K259-D274 IonicContact NZ-OD1 3.53Å; K259-D274 PolarHBondContact NZ-OD1 2.84Å; K259-D274 IonicContact NZ-OD2 2.79Å; K259-D274 PolarHBondContact NZ-OD2 3.05Å; A260-D274 PolarHBondContact N-OD1 2.95Å; D274-T276 PolarHBondContact O-N 2.89Å; D274-T276 VanDerWaalsContact O-N 3.15Å; D274-T276 VanDerWaalsContact OD2-CB 3.27Å; D274-T276 WeakPolarHBondContact OD2-CB 3.38Å; D274-T276 VanDerWaalsContact OD2-CG2 3.26Å; D274-T276 WeakPolarHBondContact OD2-CG2 3.49Å; D274-T276 PolarHBondContact OD2-N 2.95Å; D274-T276 VanDerWaalsContact OD2-N 3.14Å; D274-T276 PolarHBondContact OD2-OG1 3.4Å | ||
| 275 | S | 87.5 | Confident | 88.5 | Confident | 97 Ų | 97 | 42.8 Ų | 42.8 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -66.4 | -13.1 | -175.4 | 55.1 | 0 | 0 | 0 | 0 | 115.4 | N249 | N249-S275 PolarHBondContact OD1-N 3.02Å; N249-S275 VanDerWaalsContact OD1-N 3.1Å; N249-S275 PolarHBondContact OD1-OG 2.79Å |
| 276 | T | 87.3 | Confident | 88.9 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 36% | 0.356 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -70.1 | 145.6 | 175.7 | 66 | 0 | 0 | 0 | 0 | 110.7 | K259 D274 V278 | K259-T276 WeakPolarHBondContact CD-OG1 3.46Å; K259-T276 WeakPolarHBondContact CE-OG1 3.34Å; K259-T276 PolarHBondContact NZ-O 3.38Å; K259-T276 PolarHBondContact NZ-OG1 2.86Å; D274-T276 PolarHBondContact O-N 2.89Å; D274-T276 VanDerWaalsContact O-N 3.15Å; D274-T276 VanDerWaalsContact OD2-CB 3.27Å; D274-T276 WeakPolarHBondContact OD2-CB 3.38Å; D274-T276 VanDerWaalsContact OD2-CG2 3.26Å; D274-T276 WeakPolarHBondContact OD2-CG2 3.49Å; D274-T276 PolarHBondContact OD2-N 2.95Å; D274-T276 VanDerWaalsContact OD2-N 3.14Å; D274-T276 PolarHBondContact OD2-OG1 3.4Å; T276-V278 PolarHBondContact O-N 2.92Å |
| 277 | P | 85.8 | Confident | 89.3 | Confident | 122 Ų | 122 | 39.2 Ų | 39.2 | 79% | 0.792 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -59.2 | 141 | 178.3 | 25.3 | -34 | 0 | 0 | 0 | 110.9 | ||
| 278 | V | 86.9 | Confident | 89.8 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 123.5 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | F261 Y270 T273 T276 | F261-V278 HydrophobicContact CE1-CB 4.47Å; F261-V278 HydrophobicContact CE1-CG1 3.82Å; F261-V278 HydrophobicContact CE1-CG2 3.9Å; F261-V278 HydrophobicContact CZ-CG1 4.03Å; F261-V278 HydrophobicContact CZ-CG2 4.5Å; Y270-V278 HydrophobicContact CE2-CG2 4.3Å; T273-V278 HydrophobicContact CG2-CG2 3.77Å; T276-V278 PolarHBondContact O-N 2.92Å |
| 279 | D | 87.8 | Confident | 90.2 | Very high | 73 Ų | 73 | 41 Ų | 41 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -90.3 | 136 | 166.9 | 168.4 | 43.1 | 0 | 0 | 0 | 109.8 | Q281 T282 Y283 | D279-Q281 VanDerWaalsContact C-N 3.33Å; D279-Q281 PolarHBondContact O-N 2.82Å; D279-Q281 PolarHBondContact OD1-N 3.41Å; D279-T282 WeakPolarHBondContact O-CB 2.86Å; D279-T282 PolarHBondContact O-N 2.5Å; D279-T282 PolarHBondContact OD2-N 2.73Å; D279-T282 PolarHBondContact OD2-OG1 3.15Å; D279-Y283 PolarHBondContact O-N 2.96Å; D279-Y283 VanDerWaalsContact O-N 3.07Å |
| 280 | M | 87 | Confident | 90.4 | Very high | 50 Ų | 50 | 41 Ų | 41 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | -175 | -172.8 | 59.6 | -172.8 | 0 | 0 | 111.9 | H224 S225 E228 T282 Y283 E284 | H224-M280 HydrophobicContact CB-CE 3.63Å; S225-M280 VanDerWaalsContact CA-CE 3.4Å; E228-M280 HydrophobicContact CB-SD 4.22Å; E228-M280 HydrophobicContact CG-SD 4.43Å; M280-T282 VanDerWaalsContact C-N 3.35Å; M280-Y283 HydrophobicContact CE-CD1 4.41Å; M280-Y283 WeakPolarHBondContact O-CB 3.49Å; M280-Y283 PolarHBondContact O-N 2.79Å; M280-Y283 HydrophobicContact SD-CD1 4.24Å; M280-E284 WeakPolarHBondContact O-CB 3.33Å; M280-E284 PolarHBondContact O-N 3.45Å |
| 281 | Q | 89.4 | Confident | 90.4 | Very high | 144 Ų | 144 | 42.7 Ų | 42.7 | 67% | 0.673 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.8 | -39.8 | 179.4 | -57 | -177.9 | -20.1 | 0 | 0 | 111.2 | D279 Y283 E284 L285 | D279-Q281 VanDerWaalsContact C-N 3.33Å; D279-Q281 PolarHBondContact O-N 2.82Å; D279-Q281 PolarHBondContact OD1-N 3.41Å; Q281-Y283 VanDerWaalsContact C-N 3.3Å; Q281-Y283 PolarHBondContact O-N 3.34Å; Q281-E284 PolarHBondContact O-N 3.12Å; Q281-L285 WeakPolarHBondContact O-CB 3.32Å; Q281-L285 PolarHBondContact O-N 3.22Å |
| 282 | T | 91.3 | Very high | 90.6 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111 | K259 F261 D279 M280 C286 F341 | K259-T282 HydrophobicContact CG-CG2 4.41Å; F261-T282 HydrophobicContact CE2-CG2 3.88Å; F261-T282 HydrophobicContact CZ-CG2 4.29Å; D279-T282 WeakPolarHBondContact O-CB 2.86Å; D279-T282 PolarHBondContact O-N 2.5Å; D279-T282 PolarHBondContact OD2-N 2.73Å; D279-T282 PolarHBondContact OD2-OG1 3.15Å; M280-T282 VanDerWaalsContact C-N 3.35Å; T282-C286 PolarHBondContact O-N 2.58Å; T282-C286 PolarHBondContact O-SG 3.07Å; T282-F341 HydrophobicContact CG2-CD1 4.45Å; T282-F341 HydrophobicContact CG2-CD2 3.77Å; T282-F341 HydrophobicContact CG2-CE1 3.99Å; T282-F341 HydrophobicContact CG2-CE2 3.19Å; T282-F341 HydrophobicContact CG2-CG 4.36Å; T282-F341 HydrophobicContact CG2-CZ 3.34Å; T282-F341 WeakPolarHBondContact O-CZ 3.37Å |
| 283 | Y | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -47.7 | 176.2 | 175 | -104.9 | 0 | 0 | 0 | 112.8 | H224 F227 E228 F263 K268 Y270 D279 M280 Q281 L285 C286 C287 | H224-Y283 HydrophobicContact CB-CD1 4.28Å; H224-Y283 HydrophobicContact CB-CE1 4.08Å; F227-Y283 HydrophobicContact CB-CE1 4.07Å; F227-Y283 WeakPolarHBondContact CB-OH 3.19Å; E228-Y283 HydrophobicContact CB-CD1 4.35Å; E228-Y283 HydrophobicContact CB-CE1 4.19Å; F263-Y283 HydrophobicContact CE1-CD2 4.03Å; F263-Y283 AromaticContact CE1-CE2 3.39Å; F263-Y283 HydrophobicContact CE1-CE2 3.39Å; F263-Y283 AromaticContact CZ-CD2 3.74Å; F263-Y283 HydrophobicContact CZ-CD2 3.74Å; F263-Y283 AromaticContact CZ-CE2 3.61Å; F263-Y283 HydrophobicContact CZ-CE2 3.61Å; K268-Y283 PolarHBondContact O-OH 2.8Å; Y270-Y283 AromaticContact CD1-CD2 3.78Å; Y270-Y283 HydrophobicContact CD1-CD2 3.78Å; Y270-Y283 AromaticContact CD1-CE2 3.29Å; Y270-Y283 HydrophobicContact CD1-CE2 3.29Å; Y270-Y283 AromaticContact CE1-CD2 3.99Å; Y270-Y283 HydrophobicContact CE1-CD2 3.99Å; Y270-Y283 AromaticContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CG-CE2 4.28Å; D279-Y283 PolarHBondContact O-N 2.96Å; D279-Y283 VanDerWaalsContact O-N 3.07Å; M280-Y283 HydrophobicContact CE-CD1 4.41Å; M280-Y283 WeakPolarHBondContact O-CB 3.49Å; M280-Y283 PolarHBondContact O-N 2.79Å; M280-Y283 HydrophobicContact SD-CD1 4.24Å; Q281-Y283 VanDerWaalsContact C-N 3.3Å; Q281-Y283 PolarHBondContact O-N 3.34Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; Y283-L285 PolarHBondContact O-N 3.46Å; Y283-C286 WeakPolarHBondContact O-CB 3.37Å; Y283-C286 PolarHBondContact O-N 3.2Å; Y283-C286 VanDerWaalsContact O-N 3.08Å; Y283-C287 VanDerWaalsContact CZ-SG 3.56Å; Y283-C287 PolarHBondContact O-N 3.31Å; Y283-C287 VanDerWaalsContact O-N 3.07Å |
| 284 | E | 91.3 | Very high | 90.6 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.8 | -46.8 | 177.1 | 179.4 | 169.4 | -158.1 | 0 | 0 | 111.3 | H224 M280 Q281 C286 C287 D288 | H224-E284 IonicContact CD2-OE1 2.58Å; M280-E284 WeakPolarHBondContact O-CB 3.33Å; M280-E284 PolarHBondContact O-N 3.45Å; Q281-E284 PolarHBondContact O-N 3.12Å; E284-C286 VanDerWaalsContact C-N 3.28Å; E284-C286 PolarHBondContact O-N 3.37Å; E284-C287 WeakPolarHBondContact O-CB 3.32Å; E284-C287 PolarHBondContact O-N 3.04Å; E284-D288 PolarHBondContact O-N 3.1Å |
| 285 | L | 93.1 | Very high | 90.6 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -32.1 | 177.6 | -174 | 63 | 0 | 0 | 0 | 113.2 | Q281 Y283 M289 L321 L327 F341 | Q281-L285 WeakPolarHBondContact O-CB 3.32Å; Q281-L285 PolarHBondContact O-N 3.22Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; Y283-L285 PolarHBondContact O-N 3.46Å; L285-M289 WeakPolarHBondContact O-CB 2.93Å; L285-M289 PolarHBondContact O-N 3.33Å; L285-L321 HydrophobicContact CD2-CD1 4.05Å; L285-L327 HydrophobicContact CD2-CD1 4.19Å; L285-L327 HydrophobicContact CD2-CD2 3.85Å; L285-L327 HydrophobicContact CG-CD2 3.8Å; L285-F341 HydrophobicContact CD2-CE1 4.07Å; L285-F341 HydrophobicContact CD2-CZ 4.46Å |
| 286 | C | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 172.2 | -74.4 | 0 | 0 | 0 | 0 | 112.7 | F263 T282 Y283 E284 D288 M289 I290 V339 F341 | F263-C286 HydrophobicContact CE2-CB 3.46Å; F263-C286 VanDerWaalsContact CE2-CB 3.46Å; F263-C286 HydrophobicContact CZ-CB 3.49Å; F263-C286 VanDerWaalsContact CZ-CB 3.49Å; T282-C286 PolarHBondContact O-N 2.58Å; T282-C286 PolarHBondContact O-SG 3.07Å; Y283-C286 WeakPolarHBondContact O-CB 3.37Å; Y283-C286 PolarHBondContact O-N 3.2Å; Y283-C286 VanDerWaalsContact O-N 3.08Å; E284-C286 VanDerWaalsContact C-N 3.28Å; E284-C286 PolarHBondContact O-N 3.37Å; C286-D288 VanDerWaalsContact C-N 3.35Å; C286-M289 PolarHBondContact O-N 3.42Å; C286-I290 WeakPolarHBondContact O-CG1 3.31Å; C286-I290 PolarHBondContact O-N 3.5Å; C286-V339 HydrophobicContact CB-CG1 4.19Å; C286-V339 WeakPolarHBondContact SG-CG1 3.42Å; C286-F341 WeakPolarHBondContact SG-CE2 3.09Å |
| 287 | C | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 176.5 | -69.3 | 0 | 0 | 0 | 0 | 110.8 | K268 Y283 E284 M289 I290 D291 | K268-C287 HydrophobicContact CD-CB 4.36Å; Y283-C287 VanDerWaalsContact CZ-SG 3.56Å; Y283-C287 PolarHBondContact O-N 3.31Å; Y283-C287 VanDerWaalsContact O-N 3.07Å; E284-C287 WeakPolarHBondContact O-CB 3.32Å; E284-C287 PolarHBondContact O-N 3.04Å; C287-M289 VanDerWaalsContact C-N 3.31Å; C287-M289 PolarHBondContact O-N 3.33Å; C287-I290 PolarHBondContact O-N 2.99Å; C287-I290 VanDerWaalsContact O-N 3.16Å; C287-D291 PolarHBondContact O-N 3.43Å |
| 288 | D | 92.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 177.6 | -70.6 | -5.7 | 0 | 0 | 0 | 111.7 | H224 E284 C286 I290 D291 V292 | H224-D288 IonicContact CE1-OD1 3.6Å; H224-D288 IonicContact NE2-OD1 2.74Å; E284-D288 PolarHBondContact O-N 3.1Å; C286-D288 VanDerWaalsContact C-N 3.35Å; D288-I290 PolarHBondContact O-N 2.74Å; D288-D291 PolarHBondContact O-N 2.9Å; D288-V292 VanDerWaalsContact O-CG2 3.31Å; D288-V292 WeakPolarHBondContact O-CG2 3.31Å; D288-V292 PolarHBondContact O-N 3.08Å |
| 289 | M | 94.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 173.8 | 176.2 | 179.1 | -169.1 | 0 | 0 | 111.7 | L285 C286 C287 D291 V292 V293 A317 I319 L327 L329 V339 | L285-M289 WeakPolarHBondContact O-CB 2.93Å; L285-M289 PolarHBondContact O-N 3.33Å; C286-M289 PolarHBondContact O-N 3.42Å; C287-M289 VanDerWaalsContact C-N 3.31Å; C287-M289 PolarHBondContact O-N 3.33Å; M289-D291 VanDerWaalsContact C-N 3.33Å; M289-V292 PolarHBondContact O-N 3.02Å; M289-V293 HydrophobicContact CG-CG2 4.37Å; M289-V293 WeakPolarHBondContact O-CB 3.45Å; M289-V293 WeakPolarHBondContact O-CG2 3.4Å; M289-V293 PolarHBondContact O-N 2.92Å; M289-A317 HydrophobicContact CE-CB 4.02Å; M289-I319 HydrophobicContact CB-CD1 4.36Å; M289-I319 HydrophobicContact CE-CD1 4.23Å; M289-I319 HydrophobicContact CE-CG1 4.17Å; M289-I319 HydrophobicContact CG-CD1 3.78Å; M289-I319 HydrophobicContact SD-CD1 4.41Å; M289-L327 HydrophobicContact CE-CB 4.01Å; M289-L327 HydrophobicContact SD-CB 3.47Å; M289-L327 WeakPolarHBondContact SD-CB 3.45Å; M289-L327 HydrophobicContact SD-CD2 4.03Å; M289-L327 HydrophobicContact SD-CG 4.37Å; M289-L329 HydrophobicContact CE-CB 3.47Å; M289-L329 VanDerWaalsContact CE-CB 3.47Å; M289-L329 HydrophobicContact SD-CB 4.26Å; M289-V339 HydrophobicContact SD-CG1 3.86Å |
| 290 | I | 92.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.3 | -68.5 | 166.3 | 0 | 0 | 0 | 110.1 | F263 V265 C286 C287 D288 V293 I294 L329 V339 | F263-I290 HydrophobicContact CB-CD1 3.68Å; F263-I290 HydrophobicContact CD1-CD1 3.83Å; F263-I290 HydrophobicContact CD2-CD1 3.94Å; F263-I290 HydrophobicContact CE1-CD1 4.38Å; F263-I290 HydrophobicContact CE2-CD1 4.48Å; F263-I290 HydrophobicContact CG-CD1 3.57Å; V265-I290 HydrophobicContact CG1-CG2 4.2Å; C286-I290 WeakPolarHBondContact O-CG1 3.31Å; C286-I290 PolarHBondContact O-N 3.5Å; C287-I290 PolarHBondContact O-N 2.99Å; C287-I290 VanDerWaalsContact O-N 3.16Å; D288-I290 PolarHBondContact O-N 2.74Å; I290-V293 PolarHBondContact O-N 3.49Å; I290-I294 HydrophobicContact CG2-CG1 4.15Å; I290-I294 WeakPolarHBondContact O-CB 3.5Å; I290-I294 VanDerWaalsContact O-CG1 3.25Å; I290-I294 WeakPolarHBondContact O-CG1 3.34Å; I290-I294 PolarHBondContact O-N 3.31Å; I290-L329 HydrophobicContact CG1-CD1 3.95Å; I290-V339 HydrophobicContact CD1-CG2 4.22Å; I290-V339 HydrophobicContact CG1-CG2 4.24Å |
| 291 | D | 91.3 | Very high | 91 | Very high | 39 Ų | 39 | 56 Ų | 56 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 176.6 | -72.8 | -32.4 | 0 | 0 | 0 | 111.6 | K268 C287 D288 M289 V293 I294 D295 | K268-D291 WeakPolarHBondContact CE-OD1 3.32Å; K268-D291 IonicContact NZ-OD1 3.83Å; K268-D291 PolarHBondContact NZ-OD1 3.38Å; K268-D291 IonicContact NZ-OD2 2.7Å; K268-D291 PolarHBondContact NZ-OD2 2.95Å; C287-D291 PolarHBondContact O-N 3.43Å; D288-D291 PolarHBondContact O-N 2.9Å; M289-D291 VanDerWaalsContact C-N 3.33Å; D291-V293 VanDerWaalsContact C-N 3.3Å; D291-V293 PolarHBondContact O-N 2.75Å; D291-I294 PolarHBondContact O-N 3.22Å; D291-D295 VanDerWaalsContact O-CB 3.27Å; D291-D295 WeakPolarHBondContact O-CB 3.42Å; D291-D295 PolarHBondContact O-N 3.39Å |
| 292 | V | 93.7 | Very high | 90.6 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | D288 M289 I296 | D288-V292 VanDerWaalsContact O-CG2 3.31Å; D288-V292 WeakPolarHBondContact O-CG2 3.31Å; D288-V292 PolarHBondContact O-N 3.08Å; M289-V292 PolarHBondContact O-N 3.02Å; V292-I296 HydrophobicContact CG1-CD1 3.7Å; V292-I296 HydrophobicContact CG1-CG1 4.5Å; V292-I296 WeakPolarHBondContact O-CB 3.37Å; V292-I296 WeakPolarHBondContact O-CD1 3.27Å; V292-I296 WeakPolarHBondContact O-CG1 3.42Å; V292-I296 PolarHBondContact O-N 2.88Å; V292-I296 VanDerWaalsContact O-N 3.07Å |
| 293 | V | 92.9 | Very high | 90.1 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 179.8 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | M289 I290 D291 S297 A317 L329 | M289-V293 HydrophobicContact CG-CG2 4.37Å; M289-V293 WeakPolarHBondContact O-CB 3.45Å; M289-V293 WeakPolarHBondContact O-CG2 3.4Å; M289-V293 PolarHBondContact O-N 2.92Å; I290-V293 PolarHBondContact O-N 3.49Å; D291-V293 VanDerWaalsContact C-N 3.3Å; D291-V293 PolarHBondContact O-N 2.75Å; V293-S297 WeakPolarHBondContact O-CB 3.32Å; V293-S297 PolarHBondContact O-N 3.22Å; V293-S297 PolarHBondContact O-OG 3.32Å; V293-A317 HydrophobicContact CB-CB 4.46Å; V293-A317 HydrophobicContact CG1-CB 4.26Å; V293-A317 HydrophobicContact CG2-CB 3.31Å; V293-L329 HydrophobicContact CG1-CD2 4.46Å; V293-L329 HydrophobicContact CG2-CD1 4.37Å |
| 294 | I | 90.5 | Very high | 89.1 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.1 | -41.8 | -178.6 | -64.8 | -62.1 | 0 | 0 | 0 | 111.4 | V265 I290 D291 S297 C298 Y311 | V265-I294 HydrophobicContact CG1-CD1 3.57Å; V265-I294 HydrophobicContact CG1-CG1 3.81Å; I290-I294 HydrophobicContact CG2-CG1 4.15Å; I290-I294 WeakPolarHBondContact O-CB 3.5Å; I290-I294 VanDerWaalsContact O-CG1 3.25Å; I290-I294 WeakPolarHBondContact O-CG1 3.34Å; I290-I294 PolarHBondContact O-N 3.31Å; D291-I294 PolarHBondContact O-N 3.22Å; I294-S297 CarbonylContact O-C 3.59Å; I294-S297 PolarHBondContact O-N 3.22Å; I294-C298 WeakPolarHBondContact O-CB 3.18Å; I294-C298 PolarHBondContact O-N 2.86Å; I294-C298 PolarHBondContact O-SG 2.87Å; I294-Y311 HydrophobicContact CD1-CD2 3.9Å; I294-Y311 HydrophobicContact CD1-CG 4.34Å |
| 295 | D | 91.8 | Very high | 88.3 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | -180 | -71 | -15.2 | 0 | 0 | 0 | 111.5 | D291 C298 I299 | D291-D295 VanDerWaalsContact O-CB 3.27Å; D291-D295 WeakPolarHBondContact O-CB 3.42Å; D291-D295 PolarHBondContact O-N 3.39Å; D295-C298 PolarHBondContact O-N 3.07Å; D295-I299 WeakPolarHBondContact O-CG1 3.42Å; D295-I299 PolarHBondContact O-N 3.42Å |
| 296 | I | 91.9 | Very high | 87.1 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.7 | -68.5 | 172.9 | 0 | 0 | 0 | 110.6 | V292 C298 I299 Y300 | V292-I296 HydrophobicContact CG1-CD1 3.7Å; V292-I296 HydrophobicContact CG1-CG1 4.5Å; V292-I296 WeakPolarHBondContact O-CB 3.37Å; V292-I296 WeakPolarHBondContact O-CD1 3.27Å; V292-I296 WeakPolarHBondContact O-CG1 3.42Å; V292-I296 PolarHBondContact O-N 2.88Å; V292-I296 VanDerWaalsContact O-N 3.07Å; I296-C298 VanDerWaalsContact C-N 3.32Å; I296-C298 PolarHBondContact O-N 3Å; I296-I299 PolarHBondContact O-N 3.21Å; I296-I299 VanDerWaalsContact O-N 3.15Å; I296-Y300 HydrophobicContact CG2-CD2 4.12Å; I296-Y300 PolarHBondContact O-N 2.96Å |
| 297 | S | 90.5 | Very high | 85.6 | Confident | 29 Ų | 29 | 74.7 Ų | 74.7 | 20% | 0.203 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.5 | -31.4 | 176.5 | -66.5 | 0 | 0 | 0 | 0 | 113 | V293 I294 I299 G301 P310 | V293-S297 WeakPolarHBondContact O-CB 3.32Å; V293-S297 PolarHBondContact O-N 3.22Å; V293-S297 PolarHBondContact O-OG 3.32Å; I294-S297 CarbonylContact O-C 3.59Å; I294-S297 PolarHBondContact O-N 3.22Å; S297-I299 VanDerWaalsContact C-N 3.27Å; S297-I299 PolarHBondContact O-N 3.14Å; S297-G301 WeakPolarHBondContact O-CA 3.4Å; S297-G301 PolarHBondContact O-N 3.46Å; S297-P310 WeakPolarHBondContact CB-O 3.49Å; S297-P310 PolarHBondContact OG-O 3.46Å |
| 298 | C | 88.5 | Confident | 84.4 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 37% | 0.372 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -31.5 | 172.3 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | I294 D295 I296 L302 P310 | I294-C298 WeakPolarHBondContact O-CB 3.18Å; I294-C298 PolarHBondContact O-N 2.86Å; I294-C298 PolarHBondContact O-SG 2.87Å; D295-C298 PolarHBondContact O-N 3.07Å; I296-C298 VanDerWaalsContact C-N 3.32Å; I296-C298 PolarHBondContact O-N 3Å; C298-L302 WeakPolarHBondContact O-CD1 3.41Å; C298-P310 HydrophobicContact CB-CB 4.47Å; C298-P310 WeakPolarHBondContact SG-CB 3.13Å |
| 299 | I | 89.4 | Confident | 83.6 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -81.4 | -46.2 | 179.7 | -63.9 | 165.2 | 0 | 0 | 0 | 111.2 | D295 I296 S297 | D295-I299 WeakPolarHBondContact O-CG1 3.42Å; D295-I299 PolarHBondContact O-N 3.42Å; I296-I299 PolarHBondContact O-N 3.21Å; I296-I299 VanDerWaalsContact O-N 3.15Å; S297-I299 VanDerWaalsContact C-N 3.27Å; S297-I299 PolarHBondContact O-N 3.14Å |
| 300 | Y | 88.3 | Confident | 82.9 | Confident | 191 Ų | 191 | 79.2 Ų | 79.2 | 75% | 0.749 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -113.1 | -15.3 | -169 | -65.3 | -72.1 | 0 | 0 | 0 | 115.2 | I296 | I296-Y300 HydrophobicContact CG2-CD2 4.12Å; I296-Y300 PolarHBondContact O-N 2.96Å |
| 301 | G | 82.3 | Confident | 82.5 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 45% | 0.454 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -88.4 | -2.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S297 | S297-G301 WeakPolarHBondContact O-CA 3.4Å; S297-G301 PolarHBondContact O-N 3.46Å |
| 302 | L | 81.8 | Confident | 82.2 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 41% | 0.414 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -78.6 | 132.8 | 176 | -60.6 | 177.8 | 0 | 0 | 0 | 110 | C298 G308 | C298-L302 WeakPolarHBondContact O-CD1 3.41Å; L302-G308 WeakPolarHBondContact CD2-O 3.01Å |
| 303 | K | 79.4 | Confident | 81.9 | Confident | 157 Ų | 157 | 85.9 Ų | 85.9 | 68% | 0.683 | 47% | 0.473 | S | S | * | . | trans | -63.5 | 158.3 | 169.9 | -64 | -175.3 | 179 | -177.8 | 0 | 109.8 | D305 G306 | K303-D305 PolarHBondContact O-N 3.06Å; K303-G306 PolarHBondContact O-N 2.85Å | ||
| 304 | E | 71.7 | Confident | 81.6 | Confident | 205 Ų | 205 | 92.8 Ų | 92.8 | 96% | 0.958 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -25.3 | -175.2 | -65.8 | -171.6 | 158.4 | 0 | 0 | 113.9 | G306 | E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.03Å |
| 305 | D | 74.2 | Confident | 81.6 | Confident | 149 Ų | 149 | 92.5 Ų | 92.5 | 80% | 0.797 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.5 | 177.9 | -58 | -35.6 | 0 | 0 | 0 | 114.4 | K303 A307 | K303-D305 PolarHBondContact O-N 3.06Å; D305-A307 HydrophobicContact CB-CB 4.45Å; D305-A307 PolarHBondContact O-N 3.38Å; D305-A307 VanDerWaalsContact O-N 3.12Å |
| 306 | G | 66.8 | Low | 81.7 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 55% | 0.546 | 50% | 0.502 | S | S | . | . | S | Bend | trans | 69.7 | 0.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K303 E304 G308 | K303-G306 PolarHBondContact O-N 2.85Å; E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.03Å; G306-G308 PolarHBondContact O-N 3.1Å |
| 307 | A | 62.5 | Low | 81.9 | Confident | 73 Ų | 73 | 88 Ų | 88 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | trans | -90 | 82.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D305 | D305-A307 HydrophobicContact CB-CB 4.45Å; D305-A307 PolarHBondContact O-N 3.38Å; D305-A307 VanDerWaalsContact O-N 3.12Å | ||
| 308 | G | 65.3 | Low | 82.1 | Confident | 29 Ų | 29 | 90.2 Ų | 90.2 | 30% | 0.299 | 50% | 0.495 | S | S | . | . | trans | -153.1 | 144.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | L302 G306 | L302-G308 WeakPolarHBondContact CD2-O 3.01Å; G306-G308 PolarHBondContact O-N 3.1Å | ||
| 309 | T | 76.4 | Confident | 82.5 | Confident | 99 Ų | 99 | 90.3 Ų | 90.3 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | trans | -88.7 | 133.5 | 167 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | Y311 | T309-Y311 PolarHBondContact O-N 2.92Å; T309-Y311 PolarHBondContact OG1-O 3.35Å; T309-Y311 VanDerWaalsContact OG1-O 3.04Å | ||
| 310 | P | 79.2 | Confident | 82.8 | Confident | 43 Ų | 43 | 90.4 Ų | 90.4 | 28% | 0.279 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -66.6 | -7.5 | 179.7 | 28.1 | -36 | 0 | 0 | 0 | 113.4 | S297 C298 | S297-P310 WeakPolarHBondContact CB-O 3.49Å; S297-P310 PolarHBondContact OG-O 3.46Å; C298-P310 HydrophobicContact CB-CB 4.47Å; C298-P310 WeakPolarHBondContact SG-CB 3.13Å |
| 311 | Y | 83.8 | Confident | 83 | Confident | 23 Ų | 23 | 83.9 Ų | 83.9 | 9% | 0.09 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -132 | 123.6 | 177 | -170.2 | -102 | 0 | 0 | 0 | 109.1 | V265 I294 T309 E331 T333 K334 L336 A337 | V265-Y311 HydrophobicContact CG1-CD2 4.48Å; V265-Y311 HydrophobicContact CG2-CD2 4.37Å; V265-Y311 HydrophobicContact CG2-CE1 4.08Å; V265-Y311 HydrophobicContact CG2-CE2 3.91Å; I294-Y311 HydrophobicContact CD1-CD2 3.9Å; I294-Y311 HydrophobicContact CD1-CG 4.34Å; T309-Y311 PolarHBondContact O-N 2.92Å; T309-Y311 PolarHBondContact OG1-O 3.35Å; T309-Y311 VanDerWaalsContact OG1-O 3.04Å; Y311-E331 HydrophobicContact CD1-CG 4.46Å; Y311-E331 HydrophobicContact CE1-CB 4.26Å; Y311-E331 HydrophobicContact CE1-CG 3.51Å; Y311-E331 HydrophobicContact CE2-CB 4.35Å; Y311-E331 HydrophobicContact CE2-CG 4.47Å; Y311-E331 VanDerWaalsContact OH-CA 3.25Å; Y311-E331 WeakPolarHBondContact OH-CA 3.37Å; Y311-E331 WeakPolarHBondContact OH-CB 3.41Å; Y311-E331 WeakPolarHBondContact OH-CG 3.44Å; Y311-T333 WeakPolarHBondContact CE1-O 3.41Å; Y311-K334 VanDerWaalsContact CD1-O 3.26Å; Y311-K334 WeakPolarHBondContact CD1-O 3.47Å; Y311-L336 VanDerWaalsContact OH-C 3.31Å; Y311-L336 PolarHBondContact OH-O 3.32Å; Y311-A337 HydrophobicContact CE2-CB 4.41Å; Y311-A337 VanDerWaalsContact OH-CA 3.3Å; Y311-A337 WeakPolarHBondContact OH-CA 3.36Å; Y311-A337 VanDerWaalsContact OH-CB 3.3Å; Y311-A337 WeakPolarHBondContact OH-CB 3.29Å; Y311-A337 PolarHBondContact OH-N 3.14Å |
| 312 | D | 85.7 | Confident | 83.5 | Confident | 79 Ų | 79 | 89.6 Ų | 89.6 | 42% | 0.422 | 49% | 0.485 | S | S | . | . | trans | -136.7 | 179.9 | -173.7 | 69 | 7.4 | 0 | 0 | 0 | 111.6 | E314 S315 E331 | D312-E314 PolarHBondContact O-N 2.83Å; D312-E314 PolarHBondContact OD1-N 3.41Å; D312-E314 VanDerWaalsContact OD1-N 3.14Å; D312-S315 PolarHBondContact N-OG 2.89Å; D312-S315 WeakPolarHBondContact O-CB 3.32Å; D312-S315 PolarHBondContact O-N 3.37Å; D312-S315 PolarHBondContact O-OG 2.83Å; D312-S315 PolarHBondContact OD1-N 2.81Å; D312-S315 PolarHBondContact OD1-OG 3.43Å; D312-E331 WeakPolarHBondContact O-CB 3.24Å; D312-E331 WeakPolarHBondContact O-CG 3.44Å | ||
| 313 | K | 86.3 | Confident | 84 | Confident | 152 Ų | 152 | 89.8 Ų | 89.8 | 66% | 0.661 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14 | -176.3 | -66 | -178.9 | -176.3 | 173.7 | 0 | 114 | ||
| 314 | E | 87.6 | Confident | 84.6 | Confident | 164 Ų | 164 | 85.8 Ų | 85.8 | 77% | 0.766 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 1.9 | -177.6 | -62.6 | -172.2 | 177.5 | 0 | 0 | 112.2 | D312 T316 | D312-E314 PolarHBondContact O-N 2.83Å; D312-E314 PolarHBondContact OD1-N 3.41Å; D312-E314 VanDerWaalsContact OD1-N 3.14Å; E314-T316 PolarHBondContact O-N 3.05Å; E314-T316 VanDerWaalsContact O-N 3.09Å |
| 315 | S | 90.8 | Very high | 85.6 | Confident | 13 Ų | 13 | 76.5 Ų | 76.5 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | trans | -60.2 | 114.2 | 180 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | D312 E331 | D312-S315 PolarHBondContact N-OG 2.89Å; D312-S315 WeakPolarHBondContact O-CB 3.32Å; D312-S315 PolarHBondContact O-N 3.37Å; D312-S315 PolarHBondContact O-OG 2.83Å; D312-S315 PolarHBondContact OD1-N 2.81Å; D312-S315 PolarHBondContact OD1-OG 3.43Å; S315-E331 PolarHBondContact O-N 3.21Å | ||
| 316 | T | 94 | Very high | 86.6 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 147.4 | 176.7 | 64.1 | 0 | 0 | 0 | 0 | 110 | E314 L329 K330 | E314-T316 PolarHBondContact O-N 3.05Å; E314-T316 VanDerWaalsContact O-N 3.09Å; T316-L329 CarbonylContact C-O 3.58Å; T316-L329 VanDerWaalsContact CA-O 3.25Å; T316-L329 WeakPolarHBondContact CA-O 3.41Å; T316-K330 HydrophobicContact CG2-CB 4.3Å; T316-K330 HydrophobicContact CG2-CD 4.45Å; T316-K330 HydrophobicContact CG2-CG 3.94Å |
| 317 | A | 95.3 | Very high | 87.9 | Confident | 18 Ų | 18 | 67 Ų | 67 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 145.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M289 V293 Y328 L329 | M289-A317 HydrophobicContact CE-CB 4.02Å; V293-A317 HydrophobicContact CB-CB 4.46Å; V293-A317 HydrophobicContact CG1-CB 4.26Å; V293-A317 HydrophobicContact CG2-CB 3.31Å; A317-Y328 WeakPolarHBondContact O-CD2 3.42Å; A317-L329 HydrophobicContact CB-CB 4.24Å; A317-L329 PolarHBondContact N-O 3.28Å; A317-L329 PolarHBondContact O-N 3.3Å |
| 318 | I | 95.8 | Very high | 89.5 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 119.7 | 179.7 | -57.6 | 160.1 | 0 | 0 | 0 | 107.4 | V326 L327 Y328 F347 | I318-V326 HydrophobicContact CG2-CG1 3.61Å; I318-L327 WeakPolarHBondContact CA-O 3.39Å; I318-Y328 HydrophobicContact CD1-CE2 4.28Å; I318-Y328 HydrophobicContact CG1-CD2 3.58Å; I318-Y328 HydrophobicContact CG1-CE2 3.73Å; I318-F347 HydrophobicContact CD1-CE1 4.37Å; I318-F347 HydrophobicContact CD1-CZ 3.86Å; I318-F347 HydrophobicContact CG1-CZ 4.04Å; I318-F347 HydrophobicContact CG2-CE1 4.14Å; I318-F347 HydrophobicContact CG2-CZ 3.96Å |
| 319 | I | 95.9 | Very high | 91 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.297 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.1 | 175.4 | -59.6 | 178.6 | 0 | 0 | 0 | 107.8 | M289 L321 V326 L327 | M289-I319 HydrophobicContact CB-CD1 4.36Å; M289-I319 HydrophobicContact CE-CD1 4.23Å; M289-I319 HydrophobicContact CE-CG1 4.17Å; M289-I319 HydrophobicContact CG-CD1 3.78Å; M289-I319 HydrophobicContact SD-CD1 4.41Å; I319-L321 HydrophobicContact CG2-CD2 4.31Å; I319-V326 CarbonylContact O-C 3.58Å; I319-V326 WeakPolarHBondContact O-CA 3.37Å; I319-L327 HydrophobicContact CB-CB 4.37Å; I319-L327 HydrophobicContact CB-CD1 4.21Å; I319-L327 HydrophobicContact CG2-CD1 4.21Å; I319-L327 PolarHBondContact N-O 3.37Å; I319-L327 PolarHBondContact O-N 2.76Å |
| 320 | K | 94.9 | Very high | 91.9 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 52% | 0.517 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124 | 175.6 | -64.3 | -167.4 | 169.2 | -162.8 | 0 | 109.9 | V326 E344 | K320-V326 HydrophobicContact CG-CG1 4.21Å; K320-V326 HydrophobicContact CG-CG2 4.04Å; K320-E344 IonicContact NZ-OE1 3.02Å; K320-E344 PolarHBondContact NZ-OE1 3.22Å |
| 321 | L | 93.7 | Very high | 92.6 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 28% | 0.277 | 30% | 0.295 | S | S | . | . | trans | -88.5 | 161.8 | 173.6 | -58.1 | -175 | 0 | 0 | 0 | 111 | L285 I319 N323 T325 L327 | L285-L321 HydrophobicContact CD2-CD1 4.05Å; I319-L321 HydrophobicContact CG2-CD2 4.31Å; L321-N323 WeakPolarHBondContact CB-OD1 3.42Å; L321-N323 PolarHBondContact O-N 3.02Å; L321-T325 WeakPolarHBondContact CB-O 3.38Å; L321-T325 HydrophobicContact CD1-CG2 4.5Å; L321-T325 PolarHBondContact N-O 3.12Å; L321-L327 HydrophobicContact CD1-CD1 3.91Å; L321-L327 HydrophobicContact CD2-CD1 3.91Å; L321-L327 HydrophobicContact CG-CD1 3.71Å | ||
| 322 | N | 93.1 | Very high | 92.9 | Very high | 165 Ų | 165 | 56.6 Ų | 56.6 | 88% | 0.882 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.4 | 179.2 | 65.4 | -7.2 | 0 | 0 | 0 | 114.3 | ||
| 323 | N | 91.4 | Very high | 92.9 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 26.1 | -176.1 | 66 | -7.2 | 0 | 0 | 0 | 112.7 | L321 T325 | L321-N323 WeakPolarHBondContact CB-OD1 3.42Å; L321-N323 PolarHBondContact O-N 3.02Å; N323-T325 PolarHBondContact O-N 3.05Å; N323-T325 VanDerWaalsContact OD1-CB 3.3Å; N323-T325 WeakPolarHBondContact OD1-CB 3.36Å; N323-T325 PolarHBondContact OD1-N 3.31Å; N323-T325 PolarHBondContact OD1-OG1 3.45Å |
| 324 | T | 91.5 | Very high | 92.7 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 64.9 | 14.3 | -178.1 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | E344 | T324-E344 WeakPolarHBondContact O-CB 3.46Å; T324-E344 PolarHBondContact O-N 3.37Å |
| 325 | T | 93.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | L321 N323 F341 | L321-T325 WeakPolarHBondContact CB-O 3.38Å; L321-T325 HydrophobicContact CD1-CG2 4.5Å; L321-T325 PolarHBondContact N-O 3.12Å; N323-T325 PolarHBondContact O-N 3.05Å; N323-T325 VanDerWaalsContact OD1-CB 3.3Å; N323-T325 WeakPolarHBondContact OD1-CB 3.36Å; N323-T325 PolarHBondContact OD1-N 3.31Å; N323-T325 PolarHBondContact OD1-OG1 3.45Å; T325-F341 HydrophobicContact CG2-CD1 3.88Å |
| 326 | V | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.3 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | I318 I319 K320 V342 E344 F347 | I318-V326 HydrophobicContact CG2-CG1 3.61Å; I319-V326 CarbonylContact O-C 3.58Å; I319-V326 WeakPolarHBondContact O-CA 3.37Å; K320-V326 HydrophobicContact CG-CG1 4.21Å; K320-V326 HydrophobicContact CG-CG2 4.04Å; V326-V342 WeakPolarHBondContact CA-O 3.47Å; V326-V342 WeakPolarHBondContact CB-O 3.39Å; V326-V342 PolarHBondContact N-O 3.3Å; V326-V342 PolarHBondContact O-N 3.09Å; V326-E344 HydrophobicContact CG2-CB 4.16Å; V326-F347 HydrophobicContact CB-CG 4.49Å; V326-F347 HydrophobicContact CG1-CD1 4.33Å; V326-F347 HydrophobicContact CG1-CD2 4.18Å; V326-F347 HydrophobicContact CG1-CE1 4.41Å; V326-F347 HydrophobicContact CG1-CE2 4.28Å; V326-F347 HydrophobicContact CG1-CG 4.21Å; V326-F347 HydrophobicContact CG1-CZ 4.38Å; V326-F347 HydrophobicContact CG2-CB 4.39Å; V326-F347 HydrophobicContact CG2-CG 4.5Å |
| 327 | L | 95.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 132.2 | 167.2 | -57.6 | 101.3 | 0 | 0 | 0 | 109.2 | L285 M289 I318 I319 L321 C340 F341 | L285-L327 HydrophobicContact CD2-CD1 4.19Å; L285-L327 HydrophobicContact CD2-CD2 3.85Å; L285-L327 HydrophobicContact CG-CD2 3.8Å; M289-L327 HydrophobicContact CE-CB 4.01Å; M289-L327 HydrophobicContact SD-CB 3.47Å; M289-L327 WeakPolarHBondContact SD-CB 3.45Å; M289-L327 HydrophobicContact SD-CD2 4.03Å; M289-L327 HydrophobicContact SD-CG 4.37Å; I318-L327 WeakPolarHBondContact CA-O 3.39Å; I319-L327 HydrophobicContact CB-CB 4.37Å; I319-L327 HydrophobicContact CB-CD1 4.21Å; I319-L327 HydrophobicContact CG2-CD1 4.21Å; I319-L327 PolarHBondContact N-O 3.37Å; I319-L327 PolarHBondContact O-N 2.76Å; L321-L327 HydrophobicContact CD1-CD1 3.91Å; L321-L327 HydrophobicContact CD2-CD1 3.91Å; L321-L327 HydrophobicContact CG-CD1 3.71Å; L327-C340 CarbonylContact C-O 3.59Å; L327-C340 WeakPolarHBondContact CA-O 3.49Å; L327-F341 HydrophobicContact CD2-CD1 4.33Å; L327-F341 HydrophobicContact CD2-CE1 3.55Å; L327-F341 HydrophobicContact CD2-CE2 4.48Å; L327-F341 HydrophobicContact CD2-CZ 3.63Å; L327-F341 HydrophobicContact CG-CD1 4.29Å; L327-F341 HydrophobicContact CG-CE1 3.93Å; L327-F341 HydrophobicContact CG-CZ 4.43Å |
| 328 | Y | 95.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 116.5 | -177.4 | -173.6 | -139 | 0 | 0 | 0 | 111.4 | A317 I318 K330 V339 C340 F347 I353 D354 | A317-Y328 WeakPolarHBondContact O-CD2 3.42Å; I318-Y328 HydrophobicContact CD1-CE2 4.28Å; I318-Y328 HydrophobicContact CG1-CD2 3.58Å; I318-Y328 HydrophobicContact CG1-CE2 3.73Å; Y328-K330 HydrophobicContact CD1-CG 4.4Å; Y328-K330 HydrophobicContact CE1-CD 3.61Å; Y328-K330 HydrophobicContact CE1-CG 3.71Å; Y328-K330 HydrophobicContact CE2-CD 4.35Å; Y328-K330 HydrophobicContact CE2-CG 3.88Å; Y328-K330 VanDerWaalsContact CZ-CD 3.42Å; Y328-K330 VanDerWaalsContact CZ-CG 3.41Å; Y328-K330 WeakPolarHBondContact OH-CD 3.33Å; Y328-K330 WeakPolarHBondContact OH-CE 3.37Å; Y328-K330 WeakPolarHBondContact OH-CG 3.34Å; Y328-K330 PolarHBondContact OH-NZ 2.93Å; Y328-V339 CarbonylContact O-C 3.52Å; Y328-V339 WeakPolarHBondContact O-CA 3.45Å; Y328-C340 PolarHBondContact N-O 3.14Å; Y328-C340 PolarHBondContact O-N 3.14Å; Y328-F347 HydrophobicContact CD1-CE2 4.24Å; Y328-F347 HydrophobicContact CD2-CE2 4.22Å; Y328-F347 HydrophobicContact CD2-CZ 4.47Å; Y328-F347 HydrophobicContact CG-CE2 4.02Å; Y328-I353 HydrophobicContact CD1-CG2 4.47Å; Y328-I353 HydrophobicContact CE1-CG2 4.26Å; Y328-D354 PolarHBondContact OH-OD1 2.89Å |
| 329 | L | 96.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.1 | 177.6 | -177.8 | 155.4 | 0 | 0 | 0 | 109.9 | M289 I290 V293 T316 A317 A337 L338 V339 | M289-L329 HydrophobicContact CE-CB 3.47Å; M289-L329 VanDerWaalsContact CE-CB 3.47Å; M289-L329 HydrophobicContact SD-CB 4.26Å; I290-L329 HydrophobicContact CG1-CD1 3.95Å; V293-L329 HydrophobicContact CG1-CD2 4.46Å; V293-L329 HydrophobicContact CG2-CD1 4.37Å; T316-L329 CarbonylContact C-O 3.58Å; T316-L329 VanDerWaalsContact CA-O 3.25Å; T316-L329 WeakPolarHBondContact CA-O 3.41Å; A317-L329 HydrophobicContact CB-CB 4.24Å; A317-L329 PolarHBondContact N-O 3.28Å; A317-L329 PolarHBondContact O-N 3.3Å; L329-A337 HydrophobicContact CG-CB 4.38Å; L329-L338 CarbonylContact C-O 3.59Å; L329-L338 VanDerWaalsContact CA-O 3.29Å; L329-L338 WeakPolarHBondContact CA-O 3.26Å; L329-V339 HydrophobicContact CB-CG2 4.42Å; L329-V339 HydrophobicContact CD1-CG2 3.98Å; L329-V339 HydrophobicContact CG-CG2 4.16Å |
| 330 | K | 94.7 | Very high | 92.2 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146.8 | 168.7 | -61.5 | -164.5 | 97.3 | 161.4 | 0 | 112.3 | T316 Y328 L338 D354 F357 | T316-K330 HydrophobicContact CG2-CB 4.3Å; T316-K330 HydrophobicContact CG2-CD 4.45Å; T316-K330 HydrophobicContact CG2-CG 3.94Å; Y328-K330 HydrophobicContact CD1-CG 4.4Å; Y328-K330 HydrophobicContact CE1-CD 3.61Å; Y328-K330 HydrophobicContact CE1-CG 3.71Å; Y328-K330 HydrophobicContact CE2-CD 4.35Å; Y328-K330 HydrophobicContact CE2-CG 3.88Å; Y328-K330 VanDerWaalsContact CZ-CD 3.42Å; Y328-K330 VanDerWaalsContact CZ-CG 3.41Å; Y328-K330 WeakPolarHBondContact OH-CD 3.33Å; Y328-K330 WeakPolarHBondContact OH-CE 3.37Å; Y328-K330 WeakPolarHBondContact OH-CG 3.34Å; Y328-K330 PolarHBondContact OH-NZ 2.93Å; K330-L338 PolarHBondContact N-O 3.41Å; K330-L338 PolarHBondContact O-N 3.05Å; K330-D354 IonicContact NZ-OD1 3.47Å; K330-D354 PolarHBondContact NZ-OD1 3.21Å; K330-F357 HydrophobicContact CB-CD1 4.49Å; K330-F357 HydrophobicContact CB-CD2 4.47Å; K330-F357 HydrophobicContact CB-CE1 3.81Å; K330-F357 HydrophobicContact CB-CE2 3.8Å; K330-F357 HydrophobicContact CB-CZ 3.41Å; K330-F357 VanDerWaalsContact CB-CZ 3.41Å; K330-F357 HydrophobicContact CD-CB 4.5Å; K330-F357 HydrophobicContact CD-CD1 3.56Å; K330-F357 HydrophobicContact CD-CD2 4.12Å; K330-F357 HydrophobicContact CD-CE1 3.69Å; K330-F357 HydrophobicContact CD-CE2 4.24Å; K330-F357 HydrophobicContact CD-CG 3.77Å; K330-F357 HydrophobicContact CD-CZ 4.03Å; K330-F357 HydrophobicContact CG-CE1 4.41Å; K330-F357 HydrophobicContact CG-CZ 4.34Å |
| 331 | E | 93.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 132.8 | 171.4 | -173.5 | -93.5 | -174.2 | 0 | 0 | 113 | Y311 D312 S315 T333 K334 F357 R361 | Y311-E331 HydrophobicContact CD1-CG 4.46Å; Y311-E331 HydrophobicContact CE1-CB 4.26Å; Y311-E331 HydrophobicContact CE1-CG 3.51Å; Y311-E331 HydrophobicContact CE2-CB 4.35Å; Y311-E331 HydrophobicContact CE2-CG 4.47Å; Y311-E331 VanDerWaalsContact OH-CA 3.25Å; Y311-E331 WeakPolarHBondContact OH-CA 3.37Å; Y311-E331 WeakPolarHBondContact OH-CB 3.41Å; Y311-E331 WeakPolarHBondContact OH-CG 3.44Å; D312-E331 WeakPolarHBondContact O-CB 3.24Å; D312-E331 WeakPolarHBondContact O-CG 3.44Å; S315-E331 PolarHBondContact O-N 3.21Å; E331-T333 WeakPolarHBondContact CG-O 3.35Å; E331-T333 WeakPolarHBondContact OE1-CA 3.15Å; E331-T333 PolarHBondContact OE1-N 3.02Å; E331-K334 PolarHBondContact OE1-N 3.14Å; E331-F357 WeakPolarHBondContact O-CZ 3.35Å; E331-R361 IonicContact OE1-NH2 3.39Å; E331-R361 IonicContact OE2-CZ 3.55Å; E331-R361 IonicContact OE2-NE 3.18Å; E331-R361 PolarHBondContact OE2-NE 2.82Å; E331-R361 IonicContact OE2-NH2 3.47Å; E331-R361 PolarHBondContact OE2-NH2 3.32Å |
| 332 | V | 90.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -50.3 | 172.5 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | L262 L336 L338 F357 F360 R361 I364 H365 | L262-V332 HydrophobicContact CD1-CB 4.32Å; L262-V332 HydrophobicContact CD1-CG1 4.48Å; L262-V332 HydrophobicContact CD1-CG2 3.89Å; V332-L336 HydrophobicContact CB-CB 4.33Å; V332-L336 PolarHBondContact N-O 3.32Å; V332-L338 HydrophobicContact CG2-CB 3.69Å; V332-F357 HydrophobicContact CG2-CE2 4.03Å; V332-F357 HydrophobicContact CG2-CZ 3.97Å; V332-F360 HydrophobicContact CG2-CE1 4.37Å; V332-R361 HydrophobicContact CG1-CG 4.39Å; V332-R361 PolarHBondContact O-NE 3.29Å; V332-I364 HydrophobicContact CG1-CB 4.15Å; V332-I364 HydrophobicContact CG1-CG1 4.46Å; V332-I364 HydrophobicContact CG1-CG2 3.69Å; V332-H365 PolarHBondContact O-NE2 3.11Å |
| 333 | T | 86.8 | Confident | 92.2 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 12% | 0.117 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 171.6 | 172.1 | 62.8 | 0 | 0 | 0 | 0 | 109.7 | Y311 E331 F335 L336 F368 | Y311-T333 WeakPolarHBondContact CE1-O 3.41Å; E331-T333 WeakPolarHBondContact CG-O 3.35Å; E331-T333 WeakPolarHBondContact OE1-CA 3.15Å; E331-T333 PolarHBondContact OE1-N 3.02Å; T333-F335 PolarHBondContact O-N 2.92Å; T333-L336 PolarHBondContact N-O 3.36Å; T333-L336 VanDerWaalsContact N-O 3.15Å; T333-L336 PolarHBondContact O-N 3.27Å; T333-L336 VanDerWaalsContact OG1-CB 3.26Å; T333-L336 WeakPolarHBondContact OG1-CB 3.24Å; T333-L336 VanDerWaalsContact OG1-CG 3.28Å; T333-L336 WeakPolarHBondContact OG1-CG 3.43Å; T333-L336 PolarHBondContact OG1-N 2.69Å; T333-F368 HydrophobicContact CG2-CD2 4.05Å; T333-F368 HydrophobicContact CG2-CE2 3.64Å |
| 334 | K | 82 | Confident | 92.3 | Very high | 150 Ų | 150 | 26.1 Ų | 26.1 | 65% | 0.652 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45 | -27.2 | 179.1 | -65.9 | -173.1 | 178.3 | -174.1 | 0 | 115.7 | Y311 E331 | Y311-K334 VanDerWaalsContact CD1-O 3.26Å; Y311-K334 WeakPolarHBondContact CD1-O 3.47Å; E331-K334 PolarHBondContact OE1-N 3.14Å |
| 335 | F | 79.9 | Confident | 92.2 | Very high | 60 Ų | 60 | 30.5 Ų | 30.5 | 26% | 0.263 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -12.4 | -178.9 | -50.8 | -66.2 | 0 | 0 | 0 | 113.2 | N107 S108 S109 D264 V265 T333 | N107-F335 WeakPolarHBondContact O-CD1 3.07Å; N107-F335 WeakPolarHBondContact O-CE1 3.25Å; N107-F335 VanDerWaalsContact O-CG 3.29Å; N107-F335 WeakPolarHBondContact O-CG 3.5Å; N107-F335 VanDerWaalsContact O-CZ 3.23Å; N107-F335 WeakPolarHBondContact O-CZ 3.48Å; S108-F335 WeakPolarHBondContact OG-CB 3.18Å; S109-F335 WeakPolarHBondContact OG-CE2 3.22Å; D264-F335 WeakPolarHBondContact CA-O 3.11Å; V265-F335 PolarHBondContact N-O 2.87Å; T333-F335 PolarHBondContact O-N 2.92Å |
| 336 | L | 88.9 | Confident | 92 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.4 | -176.1 | -55.4 | -174.2 | 0 | 0 | 0 | 111.9 | F110 L262 F263 D264 I271 Y311 V332 T333 F368 | F110-L336 HydrophobicContact CB-CD1 4.07Å; F110-L336 HydrophobicContact CB-CD2 4.37Å; F110-L336 HydrophobicContact CG-CD1 4.19Å; L262-L336 HydrophobicContact CD1-CB 4.22Å; L262-L336 HydrophobicContact CD2-CD1 4.3Å; L262-L336 HydrophobicContact CG-CD1 4.48Å; F263-L336 CarbonylContact O-C 3.59Å; F263-L336 VanDerWaalsContact O-CA 3.23Å; F263-L336 WeakPolarHBondContact O-CA 3.49Å; D264-L336 HydrophobicContact CB-CD2 4.27Å; I271-L336 HydrophobicContact CD1-CD1 4.3Å; I271-L336 HydrophobicContact CD1-CD2 3.16Å; I271-L336 HydrophobicContact CD1-CG 4.36Å; Y311-L336 VanDerWaalsContact OH-C 3.31Å; Y311-L336 PolarHBondContact OH-O 3.32Å; V332-L336 HydrophobicContact CB-CB 4.33Å; V332-L336 PolarHBondContact N-O 3.32Å; T333-L336 PolarHBondContact N-O 3.36Å; T333-L336 VanDerWaalsContact N-O 3.15Å; T333-L336 PolarHBondContact O-N 3.27Å; T333-L336 VanDerWaalsContact OG1-CB 3.26Å; T333-L336 WeakPolarHBondContact OG1-CB 3.24Å; T333-L336 VanDerWaalsContact OG1-CG 3.28Å; T333-L336 WeakPolarHBondContact OG1-CG 3.43Å; T333-L336 PolarHBondContact OG1-N 2.69Å; L336-F368 HydrophobicContact CD1-CE2 3.93Å; L336-F368 HydrophobicContact CD1-CZ 3.54Å |
| 337 | A | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | L262 F263 V265 Y311 L329 | L262-A337 CarbonylContact C-O 3.59Å; F263-A337 PolarHBondContact N-O 3.36Å; F263-A337 PolarHBondContact O-N 3.46Å; V265-A337 HydrophobicContact CG2-CB 3.65Å; Y311-A337 HydrophobicContact CE2-CB 4.41Å; Y311-A337 VanDerWaalsContact OH-CA 3.3Å; Y311-A337 WeakPolarHBondContact OH-CA 3.36Å; Y311-A337 VanDerWaalsContact OH-CB 3.3Å; Y311-A337 WeakPolarHBondContact OH-CB 3.29Å; Y311-A337 PolarHBondContact OH-N 3.14Å; L329-A337 HydrophobicContact CG-CB 4.38Å |
| 338 | L | 95.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.4 | 166.8 | -174.2 | 74.3 | 0 | 0 | 0 | 108.4 | L248 F251 A260 F261 L262 L329 K330 V332 C340 F357 F360 | L248-L338 HydrophobicContact CD2-CD1 3.6Å; F251-L338 HydrophobicContact CD1-CD2 4.14Å; F251-L338 HydrophobicContact CE1-CD2 3.55Å; F251-L338 HydrophobicContact CZ-CD2 4.07Å; A260-L338 HydrophobicContact CB-CD1 4.26Å; F261-L338 WeakPolarHBondContact O-CA 3.1Å; L262-L338 HydrophobicContact CD1-CD1 4.46Å; L329-L338 CarbonylContact C-O 3.59Å; L329-L338 VanDerWaalsContact CA-O 3.29Å; L329-L338 WeakPolarHBondContact CA-O 3.26Å; K330-L338 PolarHBondContact N-O 3.41Å; K330-L338 PolarHBondContact O-N 3.05Å; V332-L338 HydrophobicContact CG2-CB 3.69Å; L338-C340 VanDerWaalsContact CD2-SG 3.6Å; L338-F357 HydrophobicContact CB-CE2 3.91Å; L338-F357 HydrophobicContact CD2-CD2 3.59Å; L338-F357 HydrophobicContact CD2-CE2 3.51Å; L338-F357 HydrophobicContact CG-CE2 4.36Å; L338-F360 HydrophobicContact CD1-CE1 4.17Å; L338-F360 HydrophobicContact CD1-CZ 4.39Å; L338-F360 HydrophobicContact CD2-CD1 4.34Å; L338-F360 HydrophobicContact CD2-CE1 4.16Å |
| 339 | V | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.1 | 173.7 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | A260 F261 F263 C286 M289 I290 Y328 L329 | A260-V339 CarbonylContact C-O 3.57Å; A260-V339 WeakPolarHBondContact CA-O 3.48Å; F261-V339 PolarHBondContact N-O 2.83Å; F261-V339 PolarHBondContact O-N 2.92Å; F263-V339 HydrophobicContact CD2-CB 4.11Å; F263-V339 HydrophobicContact CD2-CG2 3.79Å; F263-V339 HydrophobicContact CE2-CB 4.23Å; F263-V339 HydrophobicContact CE2-CG2 4.26Å; C286-V339 HydrophobicContact CB-CG1 4.19Å; C286-V339 WeakPolarHBondContact SG-CG1 3.42Å; M289-V339 HydrophobicContact SD-CG1 3.86Å; I290-V339 HydrophobicContact CD1-CG2 4.22Å; I290-V339 HydrophobicContact CG1-CG2 4.24Å; Y328-V339 CarbonylContact O-C 3.52Å; Y328-V339 WeakPolarHBondContact O-CA 3.45Å; L329-V339 HydrophobicContact CB-CG2 4.42Å; L329-V339 HydrophobicContact CD1-CG2 3.98Å; L329-V339 HydrophobicContact CG-CG2 4.16Å |
| 340 | C | 95 | Very high | 90.8 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.3 | -173.9 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | I257 K259 L327 Y328 L338 V342 | I257-C340 HydrophobicContact CD1-CB 4.32Å; I257-C340 HydrophobicContact CG2-CB 3.91Å; K259-C340 CarbonylContact O-C 3.58Å; K259-C340 WeakPolarHBondContact O-CA 3.46Å; L327-C340 CarbonylContact C-O 3.59Å; L327-C340 WeakPolarHBondContact CA-O 3.49Å; Y328-C340 PolarHBondContact N-O 3.14Å; Y328-C340 PolarHBondContact O-N 3.14Å; L338-C340 VanDerWaalsContact CD2-SG 3.6Å; C340-V342 HydrophobicContact CB-CG2 4.16Å |
| 341 | F | 94.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.1 | 167.2 | -70.9 | -96.6 | 0 | 0 | 0 | 109.5 | I257 E258 K259 F261 T282 L285 C286 T325 L327 | I257-F341 VanDerWaalsContact CG2-O 3.29Å; I257-F341 WeakPolarHBondContact CG2-O 3.44Å; E258-F341 PolarHBondContact N-O 3.32Å; K259-F341 HydrophobicContact CB-CB 4.16Å; K259-F341 HydrophobicContact CB-CD2 4.02Å; K259-F341 HydrophobicContact CB-CG 4.43Å; K259-F341 HydrophobicContact CG-CD2 4.42Å; K259-F341 PolarHBondContact O-N 3.25Å; F261-F341 HydrophobicContact CD2-CE2 4.33Å; F261-F341 HydrophobicContact CE2-CD2 4.4Å; F261-F341 HydrophobicContact CE2-CE2 4.01Å; T282-F341 HydrophobicContact CG2-CD1 4.45Å; T282-F341 HydrophobicContact CG2-CD2 3.77Å; T282-F341 HydrophobicContact CG2-CE1 3.99Å; T282-F341 HydrophobicContact CG2-CE2 3.19Å; T282-F341 HydrophobicContact CG2-CG 4.36Å; T282-F341 HydrophobicContact CG2-CZ 3.34Å; T282-F341 WeakPolarHBondContact O-CZ 3.37Å; L285-F341 HydrophobicContact CD2-CE1 4.07Å; L285-F341 HydrophobicContact CD2-CZ 4.46Å; C286-F341 WeakPolarHBondContact SG-CE2 3.09Å; T325-F341 HydrophobicContact CG2-CD1 3.88Å; L327-F341 HydrophobicContact CD2-CD1 4.33Å; L327-F341 HydrophobicContact CD2-CE1 3.55Å; L327-F341 HydrophobicContact CD2-CE2 4.48Å; L327-F341 HydrophobicContact CD2-CZ 3.63Å; L327-F341 HydrophobicContact CG-CD1 4.29Å; L327-F341 HydrophobicContact CG-CE1 3.93Å; L327-F341 HydrophobicContact CG-CZ 4.43Å |
| 342 | V | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.2 | -177.2 | -163.7 | 0 | 0 | 0 | 0 | 108.8 | I257 V326 C340 F347 I353 | I257-V342 HydrophobicContact CG1-CG2 3.99Å; I257-V342 HydrophobicContact CG2-CG2 4.39Å; V326-V342 WeakPolarHBondContact CA-O 3.47Å; V326-V342 WeakPolarHBondContact CB-O 3.39Å; V326-V342 PolarHBondContact N-O 3.3Å; V326-V342 PolarHBondContact O-N 3.09Å; C340-V342 HydrophobicContact CB-CG2 4.16Å; V342-F347 HydrophobicContact CB-CD2 4.32Å; V342-F347 HydrophobicContact CG1-CB 4.08Å; V342-F347 HydrophobicContact CG1-CD2 4.29Å; V342-I353 HydrophobicContact CG1-CD1 4.22Å |
| 343 | R | 93.6 | Very high | 90.8 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 145.6 | 167.7 | -71 | -71 | 178.1 | -173.2 | -10.5 | 110.3 | E258 E345 S346 F347 | E258-R343 HydrophobicContact CG-CG 4.31Å; E258-R343 WeakPolarHBondContact OE1-CG 3.31Å; E258-R343 IonicContact OE1-CZ 2.82Å; E258-R343 IonicContact OE1-NE 3.4Å; E258-R343 PolarHBondContact OE1-NE 2.87Å; E258-R343 IonicContact OE1-NH2 3.05Å; E258-R343 PolarHBondContact OE1-NH2 3.38Å; E258-R343 IonicContact OE2-CZ 3.67Å; E258-R343 IonicContact OE2-NE 3.93Å; E258-R343 PolarHBondContact OE2-NE 3.22Å; E258-R343 IonicContact OE2-NH2 3.97Å; R343-E345 PolarHBondContact O-N 3.29Å; R343-S346 PolarHBondContact O-N 2.99Å; R343-F347 PolarHBondContact O-N 3.11Å |
| 344 | E | 92.3 | Very high | 91.1 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.3 | -39.7 | 179.9 | -174.9 | 157.6 | -146.9 | 0 | 0 | 112.4 | K320 T324 V326 S346 F347 E348 | K320-E344 IonicContact NZ-OE1 3.02Å; K320-E344 PolarHBondContact NZ-OE1 3.22Å; T324-E344 WeakPolarHBondContact O-CB 3.46Å; T324-E344 PolarHBondContact O-N 3.37Å; V326-E344 HydrophobicContact CG2-CB 4.16Å; E344-S346 PolarHBondContact O-N 3.4Å; E344-F347 PolarHBondContact O-N 3.45Å; E344-F347 VanDerWaalsContact O-N 3.17Å; E344-E348 PolarHBondContact O-N 3.28Å |
| 345 | E | 90.4 | Very high | 91.7 | Very high | 163 Ų | 163 | 56.6 Ų | 56.6 | 76% | 0.762 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 174.8 | -59.9 | 178.7 | -179.4 | 0 | 0 | 112.7 | R343 F347 | R343-E345 PolarHBondContact O-N 3.29Å; E345-F347 VanDerWaalsContact C-N 3.32Å |
| 346 | S | 87.7 | Confident | 92.4 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.9 | -33.6 | 176.2 | -74.7 | 0 | 0 | 0 | 0 | 111.8 | G256 R343 E344 E348 R349 | G256-S346 WeakPolarHBondContact O-CB 3.42Å; G256-S346 PolarHBondContact O-OG 2.93Å; R343-S346 PolarHBondContact O-N 2.99Å; E344-S346 PolarHBondContact O-N 3.4Å; S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact O-N 3.19Å; S346-R349 PolarHBondContact O-N 2.91Å |
| 347 | F | 90.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71 | -17.8 | -177 | -165 | -102.2 | 0 | 0 | 0 | 113.4 | I318 V326 Y328 V342 R343 E344 E345 R349 K350 I353 | I318-F347 HydrophobicContact CD1-CE1 4.37Å; I318-F347 HydrophobicContact CD1-CZ 3.86Å; I318-F347 HydrophobicContact CG1-CZ 4.04Å; I318-F347 HydrophobicContact CG2-CE1 4.14Å; I318-F347 HydrophobicContact CG2-CZ 3.96Å; V326-F347 HydrophobicContact CB-CG 4.49Å; V326-F347 HydrophobicContact CG1-CD1 4.33Å; V326-F347 HydrophobicContact CG1-CD2 4.18Å; V326-F347 HydrophobicContact CG1-CE1 4.41Å; V326-F347 HydrophobicContact CG1-CE2 4.28Å; V326-F347 HydrophobicContact CG1-CG 4.21Å; V326-F347 HydrophobicContact CG1-CZ 4.38Å; V326-F347 HydrophobicContact CG2-CB 4.39Å; V326-F347 HydrophobicContact CG2-CG 4.5Å; Y328-F347 HydrophobicContact CD1-CE2 4.24Å; Y328-F347 HydrophobicContact CD2-CE2 4.22Å; Y328-F347 HydrophobicContact CD2-CZ 4.47Å; Y328-F347 HydrophobicContact CG-CE2 4.02Å; V342-F347 HydrophobicContact CB-CD2 4.32Å; V342-F347 HydrophobicContact CG1-CB 4.08Å; V342-F347 HydrophobicContact CG1-CD2 4.29Å; R343-F347 PolarHBondContact O-N 3.11Å; E344-F347 PolarHBondContact O-N 3.45Å; E344-F347 VanDerWaalsContact O-N 3.17Å; E345-F347 VanDerWaalsContact C-N 3.32Å; F347-R349 PolarHBondContact O-N 3.33Å; F347-R349 VanDerWaalsContact O-N 3.16Å; F347-K350 HydrophobicContact CZ-CD 4.37Å; F347-K350 HydrophobicContact CZ-CG 4.49Å; F347-K350 WeakPolarHBondContact O-CB 3.32Å; F347-K350 PolarHBondContact O-N 3.1Å; F347-I353 HydrophobicContact CD2-CD1 4.31Å |
| 348 | E | 88.1 | Confident | 92.8 | Very high | 168 Ų | 168 | 61.2 Ų | 61.2 | 79% | 0.785 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.9 | 171.1 | -65.1 | -171 | 166.5 | 0 | 0 | 112 | E344 S346 K350 | E344-E348 PolarHBondContact O-N 3.28Å; S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact O-N 3.19Å; E348-K350 PolarHBondContact O-N 3.33Å |
| 349 | R | 89.4 | Confident | 92.7 | Very high | 139 Ų | 139 | 63.8 Ų | 63.8 | 53% | 0.525 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 36.3 | 175.9 | -63.2 | 178.7 | -66.7 | 168.7 | -0.8 | 112.7 | S346 F347 G351 L352 I353 | S346-R349 PolarHBondContact O-N 2.91Å; F347-R349 PolarHBondContact O-N 3.33Å; F347-R349 VanDerWaalsContact O-N 3.16Å; R349-G351 PolarHBondContact O-N 2.98Å; R349-G351 VanDerWaalsContact O-N 3.11Å; R349-L352 HydrophobicContact CB-CD1 4.3Å; R349-L352 PolarHBondContact O-N 2.85Å; R349-I353 PolarHBondContact O-N 3.09Å |
| 350 | K | 90.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -48 | -41.9 | -178.2 | 179.9 | -175.5 | 167.4 | 98.2 | 0 | 113.4 | F347 E348 L352 I353 D354 | F347-K350 HydrophobicContact CZ-CD 4.37Å; F347-K350 HydrophobicContact CZ-CG 4.49Å; F347-K350 WeakPolarHBondContact O-CB 3.32Å; F347-K350 PolarHBondContact O-N 3.1Å; E348-K350 PolarHBondContact O-N 3.33Å; K350-L352 VanDerWaalsContact C-N 3.28Å; K350-L352 PolarHBondContact O-N 3.27Å; K350-I353 WeakPolarHBondContact O-CB 3.28Å; K350-I353 PolarHBondContact O-N 3Å; K350-I353 VanDerWaalsContact O-N 3.09Å; K350-D354 WeakPolarHBondContact CE-OD2 3.47Å; K350-D354 WeakPolarHBondContact CG-OD2 3.22Å; K350-D354 PolarHBondContact O-N 2.88Å |
| 351 | G | 91.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 67.1 Ų | 67.1 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.4 | -35.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | R349 Y355 | R349-G351 PolarHBondContact O-N 2.98Å; R349-G351 VanDerWaalsContact O-N 3.11Å; G351-Y355 PolarHBondContact O-N 2.81Å; G351-Y355 VanDerWaalsContact O-N 3.14Å |
| 352 | L | 92.9 | Very high | 92.5 | Very high | 103 Ų | 103 | 72.6 Ų | 72.6 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.1 | -40.3 | 175 | -66.5 | 177.4 | 0 | 0 | 0 | 111.4 | R349 K350 D354 Y355 N356 | R349-L352 HydrophobicContact CB-CD1 4.3Å; R349-L352 PolarHBondContact O-N 2.85Å; K350-L352 VanDerWaalsContact C-N 3.28Å; K350-L352 PolarHBondContact O-N 3.27Å; L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 2.8Å; L352-Y355 PolarHBondContact O-N 3.02Å; L352-N356 WeakPolarHBondContact O-CB 3.45Å; L352-N356 VanDerWaalsContact O-CG 3.26Å; L352-N356 PolarHBondContact O-N 2.93Å |
| 353 | I | 94.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.5 | -57 | 177.4 | 0 | 0 | 0 | 109.9 | F251 I257 Y328 V342 F347 R349 K350 N356 F357 | F251-I353 HydrophobicContact CZ-CG2 4.27Å; I257-I353 HydrophobicContact CD1-CG2 4.39Å; Y328-I353 HydrophobicContact CD1-CG2 4.47Å; Y328-I353 HydrophobicContact CE1-CG2 4.26Å; V342-I353 HydrophobicContact CG1-CD1 4.22Å; F347-I353 HydrophobicContact CD2-CD1 4.31Å; R349-I353 PolarHBondContact O-N 3.09Å; K350-I353 WeakPolarHBondContact O-CB 3.28Å; K350-I353 PolarHBondContact O-N 3Å; K350-I353 VanDerWaalsContact O-N 3.09Å; I353-N356 PolarHBondContact O-N 2.88Å; I353-F357 VanDerWaalsContact O-CB 3.22Å; I353-F357 WeakPolarHBondContact O-CB 3.3Å; I353-F357 PolarHBondContact O-N 2.72Å |
| 354 | D | 93.1 | Very high | 92.2 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.8 | -75.6 | -27.6 | 0 | 0 | 0 | 112.5 | Y328 K330 K350 L352 F357 H358 | Y328-D354 PolarHBondContact OH-OD1 2.89Å; K330-D354 IonicContact NZ-OD1 3.47Å; K330-D354 PolarHBondContact NZ-OD1 3.21Å; K350-D354 WeakPolarHBondContact CE-OD2 3.47Å; K350-D354 WeakPolarHBondContact CG-OD2 3.22Å; K350-D354 PolarHBondContact O-N 2.88Å; L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 2.8Å; D354-F357 PolarHBondContact O-N 3.33Å; D354-H358 PolarHBondContact O-N 3.45Å |
| 355 | Y | 95.3 | Very high | 91.9 | Very high | 153 Ų | 153 | 69.5 Ų | 69.5 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.1 | -47.2 | 174.8 | 177.6 | -99 | 0 | 0 | 0 | 112.1 | G351 L352 F357 H358 C359 | G351-Y355 PolarHBondContact O-N 2.81Å; G351-Y355 VanDerWaalsContact O-N 3.14Å; L352-Y355 PolarHBondContact O-N 3.02Å; Y355-F357 VanDerWaalsContact C-N 3.26Å; Y355-F357 PolarHBondContact O-N 3.18Å; Y355-H358 WeakPolarHBondContact O-CB 3.41Å; Y355-H358 PolarHBondContact O-N 2.71Å; Y355-C359 PolarHBondContact O-N 3.18Å; Y355-C359 VanDerWaalsContact O-N 3.12Å; Y355-C359 PolarHBondContact O-SG 2.9Å; Y355-C359 VanDerWaalsContact O-SG 3.37Å |
| 356 | N | 95.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 66.9 Ų | 66.9 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 176.3 | -71.1 | -13.9 | 0 | 0 | 0 | 111.1 | F251 N254 S255 L352 I353 C359 F360 | F251-N356 HydrophobicContact CD2-CB 3.92Å; F251-N356 HydrophobicContact CE2-CB 3.96Å; N254-N356 PolarHBondContact O-ND2 2.76Å; S255-N356 WeakPolarHBondContact OG-CB 3.4Å; S255-N356 PolarHBondContact OG-ND2 3.3Å; L352-N356 WeakPolarHBondContact O-CB 3.45Å; L352-N356 VanDerWaalsContact O-CG 3.26Å; L352-N356 PolarHBondContact O-N 2.93Å; I353-N356 PolarHBondContact O-N 2.88Å; N356-C359 PolarHBondContact O-N 3.46Å; N356-F360 WeakPolarHBondContact O-CB 3.21Å; N356-F360 PolarHBondContact O-N 3.09Å |
| 357 | F | 94.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 66.9 Ų | 66.9 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.9 | 177.9 | -95.7 | 0 | 0 | 0 | 111.7 | F251 K330 E331 V332 L338 I353 D354 Y355 C359 F360 R361 | F251-F357 HydrophobicContact CE2-CB 3.88Å; F251-F357 HydrophobicContact CZ-CB 4.23Å; F251-F357 HydrophobicContact CZ-CD2 4.29Å; K330-F357 HydrophobicContact CB-CD1 4.49Å; K330-F357 HydrophobicContact CB-CD2 4.47Å; K330-F357 HydrophobicContact CB-CE1 3.81Å; K330-F357 HydrophobicContact CB-CE2 3.8Å; K330-F357 HydrophobicContact CB-CZ 3.41Å; K330-F357 VanDerWaalsContact CB-CZ 3.41Å; K330-F357 HydrophobicContact CD-CB 4.5Å; K330-F357 HydrophobicContact CD-CD1 3.56Å; K330-F357 HydrophobicContact CD-CD2 4.12Å; K330-F357 HydrophobicContact CD-CE1 3.69Å; K330-F357 HydrophobicContact CD-CE2 4.24Å; K330-F357 HydrophobicContact CD-CG 3.77Å; K330-F357 HydrophobicContact CD-CZ 4.03Å; K330-F357 HydrophobicContact CG-CE1 4.41Å; K330-F357 HydrophobicContact CG-CZ 4.34Å; E331-F357 WeakPolarHBondContact O-CZ 3.35Å; V332-F357 HydrophobicContact CG2-CE2 4.03Å; V332-F357 HydrophobicContact CG2-CZ 3.97Å; L338-F357 HydrophobicContact CB-CE2 3.91Å; L338-F357 HydrophobicContact CD2-CD2 3.59Å; L338-F357 HydrophobicContact CD2-CE2 3.51Å; L338-F357 HydrophobicContact CG-CE2 4.36Å; I353-F357 VanDerWaalsContact O-CB 3.22Å; I353-F357 WeakPolarHBondContact O-CB 3.3Å; I353-F357 PolarHBondContact O-N 2.72Å; D354-F357 PolarHBondContact O-N 3.33Å; Y355-F357 VanDerWaalsContact C-N 3.26Å; Y355-F357 PolarHBondContact O-N 3.18Å; F357-C359 VanDerWaalsContact C-N 3.32Å; F357-C359 PolarHBondContact O-N 3.48Å; F357-F360 HydrophobicContact CD2-CD1 4.42Å; F357-F360 HydrophobicContact CE2-CD1 4.42Å; F357-F360 PolarHBondContact O-N 3.24Å; F357-R361 HydrophobicContact CE1-CB 4.32Å; F357-R361 WeakPolarHBondContact O-CB 3.27Å; F357-R361 PolarHBondContact O-N 3.04Å |
| 358 | H | 94 | Very high | 90.9 | Very high | 109 Ų | 109 | 67.6 Ų | 67.6 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.4 | 179.9 | 81 | 0 | 0 | 0 | 111.6 | D354 Y355 R361 K362 | D354-H358 PolarHBondContact O-N 3.45Å; Y355-H358 WeakPolarHBondContact O-CB 3.41Å; Y355-H358 PolarHBondContact O-N 2.71Å; H358-R361 PolarHBondContact O-N 3.21Å; H358-K362 PolarHBondContact O-N 3.44Å |
| 359 | C | 94.5 | Very high | 90.3 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | Y355 N356 F357 K362 A363 | Y355-C359 PolarHBondContact O-N 3.18Å; Y355-C359 VanDerWaalsContact O-N 3.12Å; Y355-C359 PolarHBondContact O-SG 2.9Å; Y355-C359 VanDerWaalsContact O-SG 3.37Å; N356-C359 PolarHBondContact O-N 3.46Å; F357-C359 VanDerWaalsContact C-N 3.32Å; F357-C359 PolarHBondContact O-N 3.48Å; C359-K362 PolarHBondContact O-N 3.37Å; C359-A363 PolarHBondContact O-N 3.06Å |
| 360 | F | 94.5 | Very high | 89.5 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 175.7 | 172.4 | -97.7 | 0 | 0 | 0 | 111.7 | L247 L248 F251 V332 L338 N356 F357 K362 A363 I364 | L247-F360 HydrophobicContact CB-CD2 4.05Å; L247-F360 HydrophobicContact CB-CE2 3.82Å; L248-F360 HydrophobicContact CD2-CE1 4.44Å; L248-F360 HydrophobicContact CD2-CE2 3.77Å; L248-F360 HydrophobicContact CD2-CZ 3.53Å; L248-F360 HydrophobicContact CG-CE2 4.07Å; L248-F360 HydrophobicContact CG-CZ 4.13Å; F251-F360 HydrophobicContact CB-CB 4.42Å; F251-F360 HydrophobicContact CB-CD2 4.05Å; F251-F360 HydrophobicContact CB-CG 4.38Å; F251-F360 HydrophobicContact CD2-CB 4.2Å; F251-F360 HydrophobicContact CG-CB 4.39Å; F251-F360 HydrophobicContact CG-CG 4.42Å; V332-F360 HydrophobicContact CG2-CE1 4.37Å; L338-F360 HydrophobicContact CD1-CE1 4.17Å; L338-F360 HydrophobicContact CD1-CZ 4.39Å; L338-F360 HydrophobicContact CD2-CD1 4.34Å; L338-F360 HydrophobicContact CD2-CE1 4.16Å; N356-F360 WeakPolarHBondContact O-CB 3.21Å; N356-F360 PolarHBondContact O-N 3.09Å; F357-F360 HydrophobicContact CD2-CD1 4.42Å; F357-F360 HydrophobicContact CE2-CD1 4.42Å; F357-F360 PolarHBondContact O-N 3.24Å; F360-K362 VanDerWaalsContact C-N 3.33Å; F360-K362 PolarHBondContact O-N 3.28Å; F360-A363 WeakPolarHBondContact O-CB 3.36Å; F360-A363 PolarHBondContact O-N 3Å; F360-A363 VanDerWaalsContact O-N 3.16Å; F360-I364 HydrophobicContact CD1-CG1 4.16Å; F360-I364 HydrophobicContact CD2-CG1 4.28Å; F360-I364 HydrophobicContact CE1-CD1 4.33Å; F360-I364 HydrophobicContact CE1-CG1 3.74Å; F360-I364 HydrophobicContact CE2-CD1 3.9Å; F360-I364 HydrophobicContact CE2-CG1 3.88Å; F360-I364 HydrophobicContact CG-CG1 4.41Å; F360-I364 HydrophobicContact CZ-CD1 3.69Å; F360-I364 HydrophobicContact CZ-CG1 3.59Å; F360-I364 VanDerWaalsContact O-CG1 3.28Å; F360-I364 WeakPolarHBondContact O-CG1 3.39Å; F360-I364 PolarHBondContact O-N 3.11Å |
| 361 | R | 93.1 | Very high | 88.5 | Confident | 64 Ų | 64 | 61 Ų | 61 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 177.8 | -176.2 | 175.7 | -179.5 | -134.3 | 14.9 | 110.5 | E331 V332 F357 H358 A363 I364 H365 | E331-R361 IonicContact OE1-NH2 3.39Å; E331-R361 IonicContact OE2-CZ 3.55Å; E331-R361 IonicContact OE2-NE 3.18Å; E331-R361 PolarHBondContact OE2-NE 2.82Å; E331-R361 IonicContact OE2-NH2 3.47Å; E331-R361 PolarHBondContact OE2-NH2 3.32Å; V332-R361 HydrophobicContact CG1-CG 4.39Å; V332-R361 PolarHBondContact O-NE 3.29Å; F357-R361 HydrophobicContact CE1-CB 4.32Å; F357-R361 WeakPolarHBondContact O-CB 3.27Å; F357-R361 PolarHBondContact O-N 3.04Å; H358-R361 PolarHBondContact O-N 3.21Å; R361-A363 PolarHBondContact O-N 3.31Å; R361-I364 PolarHBondContact O-N 3.43Å; R361-H365 PolarHBondContact O-CD2 2.58Å; R361-H365 PolarHBondContact O-N 2.84Å |
| 362 | K | 92.4 | Very high | 87.2 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 176.7 | -171.7 | 176.8 | 177.4 | 177.8 | 0 | 112.3 | H358 C359 F360 I364 H365 E366 | H358-K362 PolarHBondContact O-N 3.44Å; C359-K362 PolarHBondContact O-N 3.37Å; F360-K362 VanDerWaalsContact C-N 3.33Å; F360-K362 PolarHBondContact O-N 3.28Å; K362-I364 VanDerWaalsContact C-N 3.31Å; K362-I364 PolarHBondContact O-N 3.43Å; K362-H365 PolarHBondContact O-N 3.46Å; K362-E366 PolarHBondContact O-N 3.46Å |
| 363 | A | 91.9 | Very high | 85.8 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 21% | 0.207 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L247 C359 F360 R361 E366 V367 | L247-A363 HydrophobicContact CD1-CB 4.14Å; L247-A363 HydrophobicContact CD2-CB 3.92Å; C359-A363 PolarHBondContact O-N 3.06Å; F360-A363 WeakPolarHBondContact O-CB 3.36Å; F360-A363 PolarHBondContact O-N 3Å; F360-A363 VanDerWaalsContact O-N 3.16Å; R361-A363 PolarHBondContact O-N 3.31Å; A363-E366 PolarHBondContact O-N 3.09Å; A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.09Å |
| 364 | I | 89.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.6 | -69.1 | -69.8 | 0 | 0 | 0 | 111.4 | L244 L247 V332 F360 R361 K362 E366 V367 F368 | L244-I364 HydrophobicContact CD2-CD1 3.35Å; L247-I364 HydrophobicContact CD1-CD1 3.94Å; V332-I364 HydrophobicContact CG1-CB 4.15Å; V332-I364 HydrophobicContact CG1-CG1 4.46Å; V332-I364 HydrophobicContact CG1-CG2 3.69Å; F360-I364 HydrophobicContact CD1-CG1 4.16Å; F360-I364 HydrophobicContact CD2-CG1 4.28Å; F360-I364 HydrophobicContact CE1-CD1 4.33Å; F360-I364 HydrophobicContact CE1-CG1 3.74Å; F360-I364 HydrophobicContact CE2-CD1 3.9Å; F360-I364 HydrophobicContact CE2-CG1 3.88Å; F360-I364 HydrophobicContact CG-CG1 4.41Å; F360-I364 HydrophobicContact CZ-CD1 3.69Å; F360-I364 HydrophobicContact CZ-CG1 3.59Å; F360-I364 VanDerWaalsContact O-CG1 3.28Å; F360-I364 WeakPolarHBondContact O-CG1 3.39Å; F360-I364 PolarHBondContact O-N 3.11Å; R361-I364 PolarHBondContact O-N 3.43Å; K362-I364 VanDerWaalsContact C-N 3.31Å; K362-I364 PolarHBondContact O-N 3.43Å; I364-E366 VanDerWaalsContact C-N 3.35Å; I364-E366 PolarHBondContact O-N 3.18Å; I364-V367 PolarHBondContact O-N 3.12Å; I364-F368 HydrophobicContact CG2-CD2 3.9Å; I364-F368 HydrophobicContact CG2-CE1 3.97Å; I364-F368 HydrophobicContact CG2-CE2 3.13Å; I364-F368 HydrophobicContact CG2-CZ 3.2Å; I364-F368 VanDerWaalsContact O-CD2 3.3Å; I364-F368 WeakPolarHBondContact O-CD2 3.47Å; I364-F368 VanDerWaalsContact O-CG 3.22Å; I364-F368 WeakPolarHBondContact O-CG 3.48Å; I364-F368 PolarHBondContact O-N 2.94Å; I364-F368 VanDerWaalsContact O-N 3.08Å |
| 365 | H | 87.3 | Confident | 82.9 | Confident | 78 Ų | 78 | 67 Ų | 67 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 175.2 | -80 | -115.2 | 0 | 0 | 0 | 112.1 | V332 R361 K362 V367 F368 E369 | V332-H365 PolarHBondContact O-NE2 3.11Å; R361-H365 PolarHBondContact O-CD2 2.58Å; R361-H365 PolarHBondContact O-N 2.84Å; K362-H365 PolarHBondContact O-N 3.46Å; H365-V367 PolarHBondContact O-N 3.27Å; H365-F368 WeakPolarHBondContact O-CB 3.29Å; H365-F368 PolarHBondContact O-N 3.13Å; H365-E369 PolarHBondContact O-N 2.66Å |
| 366 | E | 87.3 | Confident | 81.2 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176 | -71.4 | 177.5 | -165.6 | 0 | 0 | 112.3 | K362 A363 I364 F368 E369 V370 | K362-E366 PolarHBondContact O-N 3.46Å; A363-E366 PolarHBondContact O-N 3.09Å; I364-E366 VanDerWaalsContact C-N 3.35Å; I364-E366 PolarHBondContact O-N 3.18Å; E366-F368 VanDerWaalsContact C-N 3.27Å; E366-F368 PolarHBondContact O-N 2.68Å; E366-E369 PolarHBondContact O-N 3.24Å; E366-V370 WeakPolarHBondContact O-CG2 3.34Å; E366-V370 PolarHBondContact O-N 3.47Å; E366-V370 VanDerWaalsContact O-N 3.07Å |
| 367 | V | 83.7 | Confident | 79.5 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | T243 L244 L247 A363 I364 H365 V370 R371 | T243-V367 HydrophobicContact CG2-CG2 4.08Å; L244-V367 HydrophobicContact CD2-CG1 4.49Å; L247-V367 HydrophobicContact CD1-CG2 4.16Å; A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.09Å; I364-V367 PolarHBondContact O-N 3.12Å; H365-V367 PolarHBondContact O-N 3.27Å; V367-V370 PolarHBondContact O-N 3.34Å; V367-R371 PolarHBondContact O-N 2.96Å |
| 368 | F | 76.4 | Confident | 77.9 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 177.6 | -61.4 | -22.9 | 0 | 0 | 0 | 112.9 | F110 T333 L336 I364 H365 E366 V370 R371 M372 | F110-F368 AromaticContact CD2-CD1 3.54Å; F110-F368 HydrophobicContact CD2-CD1 3.54Å; F110-F368 AromaticContact CD2-CE1 3Å; F110-F368 HydrophobicContact CD2-CE1 3Å; F110-F368 AromaticContact CD2-CZ 3.53Å; F110-F368 HydrophobicContact CD2-CZ 3.53Å; F110-F368 AromaticContact CE2-CD1 3.6Å; F110-F368 HydrophobicContact CE2-CD1 3.6Å; F110-F368 AromaticContact CE2-CE1 3.04Å; F110-F368 HydrophobicContact CE2-CE1 3.04Å; F110-F368 AromaticContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CG-CE1 4.13Å; F110-F368 HydrophobicContact CG-CZ 4.31Å; F110-F368 HydrophobicContact CZ-CE1 4.17Å; T333-F368 HydrophobicContact CG2-CD2 4.05Å; T333-F368 HydrophobicContact CG2-CE2 3.64Å; L336-F368 HydrophobicContact CD1-CE2 3.93Å; L336-F368 HydrophobicContact CD1-CZ 3.54Å; I364-F368 HydrophobicContact CG2-CD2 3.9Å; I364-F368 HydrophobicContact CG2-CE1 3.97Å; I364-F368 HydrophobicContact CG2-CE2 3.13Å; I364-F368 HydrophobicContact CG2-CZ 3.2Å; I364-F368 VanDerWaalsContact O-CD2 3.3Å; I364-F368 WeakPolarHBondContact O-CD2 3.47Å; I364-F368 VanDerWaalsContact O-CG 3.22Å; I364-F368 WeakPolarHBondContact O-CG 3.48Å; I364-F368 PolarHBondContact O-N 2.94Å; I364-F368 VanDerWaalsContact O-N 3.08Å; H365-F368 WeakPolarHBondContact O-CB 3.29Å; H365-F368 PolarHBondContact O-N 3.13Å; E366-F368 VanDerWaalsContact C-N 3.27Å; E366-F368 PolarHBondContact O-N 2.68Å; F368-V370 PolarHBondContact O-N 2.94Å; F368-R371 WeakPolarHBondContact O-CB 3.45Å; F368-R371 PolarHBondContact O-N 3.21Å; F368-M372 PolarHBondContact O-N 2.86Å |
| 369 | E | 75 | Confident | 76.1 | Confident | 106 Ų | 106 | 74.2 Ų | 74.2 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.9 | -80.1 | -161.9 | -174.8 | 0 | 0 | 112.5 | H365 E366 R371 M372 K373 | H365-E369 PolarHBondContact O-N 2.66Å; E366-E369 PolarHBondContact O-N 3.24Å; E369-R371 VanDerWaalsContact C-N 3.29Å; E369-R371 PolarHBondContact O-N 3.49Å; E369-M372 PolarHBondContact O-N 3.41Å; E369-K373 WeakPolarHBondContact O-CB 3.43Å; E369-K373 WeakPolarHBondContact O-CG 3.43Å; E369-K373 PolarHBondContact O-N 2.84Å; E369-K373 IonicContact OE2-NZ 3.81Å; E369-K373 PolarHBondContact OE2-NZ 3.29Å |
| 370 | V | 73.4 | Confident | 74.4 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 178.4 | 173 | 0 | 0 | 0 | 0 | 110.1 | E366 V367 F368 M372 K373 V374 | E366-V370 WeakPolarHBondContact O-CG2 3.34Å; E366-V370 PolarHBondContact O-N 3.47Å; E366-V370 VanDerWaalsContact O-N 3.07Å; V367-V370 PolarHBondContact O-N 3.34Å; F368-V370 PolarHBondContact O-N 2.94Å; V370-M372 PolarHBondContact O-N 3.1Å; V370-K373 PolarHBondContact O-N 3.12Å; V370-V374 HydrophobicContact CG1-CG2 4.3Å; V370-V374 WeakPolarHBondContact O-CB 3.4Å; V370-V374 VanDerWaalsContact O-CG2 3.26Å; V370-V374 WeakPolarHBondContact O-CG2 3.34Å; V370-V374 PolarHBondContact O-N 3.15Å |
| 371 | R | 68.6 | Low | 72.6 | Confident | 53 Ų | 53 | 81 Ų | 81 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 174.3 | -171.7 | 179.7 | 172.5 | -169.6 | -2.1 | 111.4 | F110 V367 F368 E369 K373 V374 V375 | F110-R371 PolarHBondContact O-NH1 3.24Å; V367-R371 PolarHBondContact O-N 2.96Å; F368-R371 WeakPolarHBondContact O-CB 3.45Å; F368-R371 PolarHBondContact O-N 3.21Å; E369-R371 VanDerWaalsContact C-N 3.29Å; E369-R371 PolarHBondContact O-N 3.49Å; R371-K373 PolarHBondContact O-N 3.25Å; R371-V374 PolarHBondContact O-N 3.13Å; R371-V375 WeakPolarHBondContact O-CB 3.4Å; R371-V375 VanDerWaalsContact O-CG2 3.26Å; R371-V375 WeakPolarHBondContact O-CG2 3.12Å; R371-V375 PolarHBondContact O-N 3.34Å |
| 372 | M | 64.2 | Low | 70.8 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 178.8 | -73 | -65 | 111.2 | 0 | 0 | 112.4 | F368 E369 V370 V375 K376 | F368-M372 PolarHBondContact O-N 2.86Å; E369-M372 PolarHBondContact O-N 3.41Å; V370-M372 PolarHBondContact O-N 3.1Å; M372-V375 PolarHBondContact O-N 3.19Å; M372-K376 WeakPolarHBondContact O-CB 3.34Å; M372-K376 VanDerWaalsContact O-CG 3.31Å; M372-K376 WeakPolarHBondContact O-CG 3.4Å; M372-K376 PolarHBondContact O-N 2.56Å |
| 373 | K | 63.5 | Low | 69.1 | Low | 120 Ų | 120 | 85.9 Ų | 85.9 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 176.7 | -73.6 | 168.5 | -179.9 | 158.2 | 0 | 111.8 | E369 V370 R371 K376 S377 | E369-K373 WeakPolarHBondContact O-CB 3.43Å; E369-K373 WeakPolarHBondContact O-CG 3.43Å; E369-K373 PolarHBondContact O-N 2.84Å; E369-K373 IonicContact OE2-NZ 3.81Å; E369-K373 PolarHBondContact OE2-NZ 3.29Å; V370-K373 PolarHBondContact O-N 3.12Å; R371-K373 PolarHBondContact O-N 3.25Å; K373-K376 PolarHBondContact O-N 3.01Å; K373-S377 WeakPolarHBondContact O-CB 3.24Å; K373-S377 PolarHBondContact O-N 3.09Å; K373-S377 PolarHBondContact O-OG 2.96Å |
| 374 | V | 64.5 | Low | 67.4 | Low | 69 Ų | 69 | 89.8 Ų | 89.8 | 42% | 0.418 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V370 R371 S377 R378 | V370-V374 HydrophobicContact CG1-CG2 4.3Å; V370-V374 WeakPolarHBondContact O-CB 3.4Å; V370-V374 VanDerWaalsContact O-CG2 3.26Å; V370-V374 WeakPolarHBondContact O-CG2 3.34Å; V370-V374 PolarHBondContact O-N 3.15Å; R371-V374 PolarHBondContact O-N 3.13Å; V374-S377 PolarHBondContact O-N 3.16Å; V374-R378 WeakPolarHBondContact O-CG 3.41Å; V374-R378 PolarHBondContact O-N 3.47Å |
| 375 | V | 62.3 | Low | 65.6 | Low | 54 Ų | 54 | 95.8 Ų | 95.8 | 33% | 0.327 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | R371 M372 S377 R378 K379 | R371-V375 WeakPolarHBondContact O-CB 3.4Å; R371-V375 VanDerWaalsContact O-CG2 3.26Å; R371-V375 WeakPolarHBondContact O-CG2 3.12Å; R371-V375 PolarHBondContact O-N 3.34Å; M372-V375 PolarHBondContact O-N 3.19Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 3.25Å; V375-R378 PolarHBondContact O-N 2.99Å; V375-K379 WeakPolarHBondContact O-CG 3.28Å; V375-K379 PolarHBondContact O-N 3.43Å |
| 376 | K | 60 | Low | 64 | Low | 141 Ų | 141 | 99.8 Ų | 99.8 | 61% | 0.613 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 175.6 | -76.2 | 178.6 | 179.8 | -177.9 | 0 | 111.9 | M372 K373 K379 V380 | M372-K376 WeakPolarHBondContact O-CB 3.34Å; M372-K376 VanDerWaalsContact O-CG 3.31Å; M372-K376 WeakPolarHBondContact O-CG 3.4Å; M372-K376 PolarHBondContact O-N 2.56Å; K373-K376 PolarHBondContact O-N 3.01Å; K376-K379 WeakPolarHBondContact O-CB 3.49Å; K376-K379 PolarHBondContact O-N 2.86Å; K376-V380 WeakPolarHBondContact O-CG2 3.26Å; K376-V380 PolarHBondContact O-N 3.37Å |
| 377 | S | 59.7 | Low | 62.3 | Low | 73 Ų | 73 | 103.1 Ų | 103.1 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | K373 V374 V375 K379 V380 Q381 | K373-S377 WeakPolarHBondContact O-CB 3.24Å; K373-S377 PolarHBondContact O-N 3.09Å; K373-S377 PolarHBondContact O-OG 2.96Å; V374-S377 PolarHBondContact O-N 3.16Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 3.25Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 3.13Å; S377-V380 PolarHBondContact O-N 3.16Å; S377-Q381 PolarHBondContact O-N 2.78Å |
| 378 | R | 59.8 | Low | 60.8 | Low | 169 Ų | 169 | 110.7 Ų | 110.7 | 64% | 0.638 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 172.2 | -73.5 | -179.1 | 178.3 | -177.2 | -0.5 | 112.2 | V374 V375 V380 Q381 N382 | V374-R378 WeakPolarHBondContact O-CG 3.41Å; V374-R378 PolarHBondContact O-N 3.47Å; V375-R378 PolarHBondContact O-N 2.99Å; R378-V380 PolarHBondContact O-N 3.26Å; R378-Q381 PolarHBondContact O-N 3.07Å; R378-N382 WeakPolarHBondContact O-CB 3.23Å; R378-N382 PolarHBondContact O-N 3.27Å |
| 379 | K | 56.5 | Low | 59 | Low | 78 Ų | 78 | 112.4 Ų | 112.4 | 34% | 0.339 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.4 | -72.4 | 179.8 | 178.7 | -176.7 | 0 | 111.7 | E60 V375 K376 S377 R383 | E60-K379 IonicContact OE1-NZ 3.9Å; E60-K379 PolarHBondContact OE1-NZ 3.06Å; V375-K379 WeakPolarHBondContact O-CG 3.28Å; V375-K379 PolarHBondContact O-N 3.43Å; K376-K379 WeakPolarHBondContact O-CB 3.49Å; K376-K379 PolarHBondContact O-N 2.86Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 3.13Å; K379-R383 WeakPolarHBondContact O-CB 3.38Å; K379-R383 WeakPolarHBondContact O-CG 3.07Å; K379-R383 PolarHBondContact O-N 3.06Å; K379-R383 VanDerWaalsContact O-N 3.08Å |
| 380 | V | 59.7 | Low | 57.5 | Low | 89 Ų | 89 | 111 Ų | 111 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.4 | -44.1 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | K376 S377 R378 R383 L384 | K376-V380 WeakPolarHBondContact O-CG2 3.26Å; K376-V380 PolarHBondContact O-N 3.37Å; S377-V380 PolarHBondContact O-N 3.16Å; R378-V380 PolarHBondContact O-N 3.26Å; V380-R383 PolarHBondContact O-N 3.24Å; V380-L384 HydrophobicContact CG1-CD1 3.89Å; V380-L384 PolarHBondContact O-N 3.3Å |
| 381 | Q | 56.3 | Low | 56.1 | Low | 119 Ų | 119 | 112.7 Ų | 112.7 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -40.6 | -178.9 | -153.8 | 171.6 | -0.3 | 0 | 0 | 112.5 | S377 R378 L384 Q385 | S377-Q381 PolarHBondContact O-N 2.78Å; R378-Q381 PolarHBondContact O-N 3.07Å; Q381-L384 PolarHBondContact O-N 3.29Å; Q381-Q385 PolarHBondContact O-N 3.44Å |
| 382 | N | 55.1 | Low | 54.9 | Low | 99 Ų | 99 | 116 Ų | 116 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.9 | -36.1 | 174.8 | -75.7 | -8.2 | 0 | 0 | 0 | 112.4 | R378 Q385 K386 | R378-N382 WeakPolarHBondContact O-CB 3.23Å; R378-N382 PolarHBondContact O-N 3.27Å; N382-Q385 PolarHBondContact O-N 3.34Å; N382-K386 PolarHBondContact O-N 3.27Å |
| 383 | R | 57.1 | Low | 53.7 | Low | 196 Ų | 196 | 119.9 Ų | 119.9 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.7 | -37.8 | 173.3 | -77.7 | -179 | 178.4 | -170.2 | -0.2 | 112.4 | K379 V380 K387 | K379-R383 WeakPolarHBondContact O-CB 3.38Å; K379-R383 WeakPolarHBondContact O-CG 3.07Å; K379-R383 PolarHBondContact O-N 3.06Å; K379-R383 VanDerWaalsContact O-N 3.08Å; V380-R383 PolarHBondContact O-N 3.24Å; R383-K387 PolarHBondContact O-N 3.04Å; R383-K387 VanDerWaalsContact O-N 3.14Å |
| 384 | L | 55 | Low | 52.4 | Low | 107 Ų | 107 | 117.6 Ų | 117.6 | 56% | 0.56 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.2 | -36.7 | 175.5 | -92.3 | 144.2 | 0 | 0 | 0 | 112.7 | V380 Q381 K388 | V380-L384 HydrophobicContact CG1-CD1 3.89Å; V380-L384 PolarHBondContact O-N 3.3Å; Q381-L384 PolarHBondContact O-N 3.29Å; L384-K388 PolarHBondContact O-N 2.62Å |
| 385 | Q | 53.5 | Low | 51.3 | Low | 127 Ų | 127 | 118.7 Ų | 118.7 | 59% | 0.593 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.9 | -40.3 | 175 | -72.8 | -177.8 | 5.1 | 0 | 0 | 112.4 | Q381 N382 K387 K388 G389 | Q381-Q385 PolarHBondContact O-N 3.44Å; N382-Q385 PolarHBondContact O-N 3.34Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 3.24Å; Q385-K388 PolarHBondContact O-N 3.05Å; Q385-K388 VanDerWaalsContact O-N 3.14Å; Q385-G389 PolarHBondContact O-N 2.71Å |
| 386 | K | 53 | Low | 50.3 | Low | 162 Ų | 162 | 121.8 Ų | 121.8 | 70% | 0.704 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.2 | -36.2 | 174.2 | -108.8 | -179.8 | 176.1 | -179.3 | 0 | 112.8 | N382 K388 G389 | N382-K386 PolarHBondContact O-N 3.27Å; K386-K388 VanDerWaalsContact C-N 3.32Å; K386-K388 PolarHBondContact O-N 3.38Å; K386-G389 PolarHBondContact O-N 3.24Å |
| 387 | K | 52.1 | Low | 49.3 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.8 | -26.3 | 174.2 | -86.6 | -174.1 | 173 | -176.9 | 0 | 113.9 | R383 Q385 | R383-K387 PolarHBondContact O-N 3.04Å; R383-K387 VanDerWaalsContact O-N 3.14Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 3.24Å |
| 388 | K | 50.8 | Low | 48.1 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -80.5 | -18.3 | 174.8 | -79.5 | -174.2 | 173.8 | -176.8 | 0 | 113.8 | L384 Q385 K386 | L384-K388 PolarHBondContact O-N 2.62Å; Q385-K388 PolarHBondContact O-N 3.05Å; Q385-K388 VanDerWaalsContact O-N 3.14Å; K386-K388 VanDerWaalsContact C-N 3.32Å; K386-K388 PolarHBondContact O-N 3.38Å |
| 389 | G | 40.2 | Very low | 47.1 | Very low | 70 Ų | 70 | 128.7 Ų | 128.7 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -87.6 | -8.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q385 K386 | Q385-G389 PolarHBondContact O-N 2.71Å; K386-G389 PolarHBondContact O-N 3.24Å |
| 390 | A | 42 | Very low | 46.2 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -112.3 | 66.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 391 | T | 43.5 | Very low | 45.5 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -89.5 | 128.1 | 158.9 | 40.6 | 0 | 0 | 0 | 0 | 108.8 | N393 | T391-N393 PolarHBondContact O-N 2.92Š| ||
| 392 | P | 44.1 | Very low | 44.9 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 132.7 | 177.1 | 27.8 | -30.9 | 0 | 0 | 0 | 109.7 | G394 | P392-G394 PolarHBondContact O-N 3.46Š| ||
| 393 | N | 38.3 | Very low | 44.4 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -49.4 | 107.9 | 169.8 | -80.3 | -25.2 | 0 | 0 | 0 | 109.8 | T391 A395 | T391-N393 PolarHBondContact O-N 2.92Å; N393-A395 PolarHBondContact O-N 3.19Å | ||
| 394 | G | 36.9 | Very low | 43.6 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 115.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P392 | P392-G394 PolarHBondContact O-N 3.46Š| ||
| 395 | A | 42.3 | Very low | 42.9 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -59.2 | 132.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N393 R397 | N393-A395 PolarHBondContact O-N 3.19Å; A395-R397 PolarHBondContact O-N 3.23Å | ||
| 396 | P | 41.1 | Very low | 42.2 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 112.3 | 170.6 | 30.1 | -28.4 | 0 | 0 | 0 | 108.2 | V398 | P396-V398 PolarHBondContact O-N 2.85Š| ||
| 397 | R | 37.7 | Very low | 41.4 | Very low | 239 Ų | 239 | 140 Ų | 140 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 110.1 | 162 | -100.1 | -177.9 | 168.3 | 173.2 | -3.1 | 107.9 | A395 L399 | A395-R397 PolarHBondContact O-N 3.23Å; R397-L399 PolarHBondContact O-N 3.27Å | ||
| 398 | V | 36 | Very low | 40.6 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -66.4 | 117.6 | 165.8 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | P396 | P396-V398 PolarHBondContact O-N 2.85Š| ||
| 399 | L | 38.4 | Very low | 39.8 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -124.3 | 92.4 | 166.6 | -109.8 | 163.7 | 0 | 0 | 0 | 106.7 | R397 | R397-L399 PolarHBondContact O-N 3.27Š| ||
| 400 | L | 36.7 | Very low | 39.7 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 100% | 1.23 | 83% | 0.825 | S | S | * | * | trans | 160.2 | 0 | 141 | -90.4 | 159.9 | 0 | 0 | 0 | 110.1 |
Retrieved 400 of 400 residues in 1895 ms
(Link to these results)