| 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 | 33.8 | Very low | 33.8 | Very low | 233 Ų | 233 | 168.1 Ų | 168.1 | 100% | 1.148 | 83% | 0.834 | S | S | * | * | 0 | 108.9 | 0 | -91.9 | 157.6 | 163.5 | 0 | 0 | 107.6 | |||||
| 2 | R | 32.4 | Very low | 34.6 | Very low | 206 Ų | 206 | 164.5 Ų | 164.5 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | 65.1 | 129.9 | 113.1 | -73.3 | -172.9 | -178.3 | -175.6 | 4.9 | 112.5 | |||||
| 3 | R | 31.1 | Very low | 34.3 | Very low | 204 Ų | 204 | 160.9 Ų | 160.9 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | cis | -169.8 | 154.3 | 21.1 | -116.6 | 167.9 | -169.4 | -178.9 | 0.6 | 110 | ||||
| 4 | I | 40 | Very low | 34 | Very low | 166 Ų | 166 | 160.9 Ų | 160.9 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -87.2 | 145.1 | 163.8 | -62.4 | 157.4 | 0 | 0 | 0 | 108.7 | ||||
| 5 | S | 34.5 | Very low | 33.7 | Very low | 112 Ų | 112 | 165.5 Ų | 165.5 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | trans | 170.7 | 124.4 | 150 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 6 | G | 32.5 | Very low | 33.8 | Very low | 75 Ų | 75 | 163.3 Ų | 163.3 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | 107.4 | 144.5 | 102.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 7 | E | 33.5 | Very low | 34.2 | Very low | 169 Ų | 169 | 160.8 Ų | 160.8 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | cis | -168.9 | 138.4 | 30.3 | -94.5 | 179 | 114.6 | 0 | 0 | 108.9 | ||||
| 8 | R | 33 | Very low | 34 | Very low | 226 Ų | 226 | 158.2 Ų | 158.2 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | 71.6 | 127 | 101.4 | -69.1 | -177.8 | 178.7 | -166.3 | 1 | 119.4 | |||||
| 9 | A | 35.6 | Very low | 33.9 | Very low | 88 Ų | 88 | 154.2 Ų | 154.2 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | 164.4 | 105 | 126.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 10 | T | 33.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | 64.3 | 102.1 | 88.2 | 56.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 11 | R | 32.1 | Very low | 33.6 | Very low | 241 Ų | 241 | 159.6 Ų | 159.6 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | 69.6 | 159.4 | 94.7 | -83.2 | -166.1 | -177.6 | -164.6 | 2.1 | 115.5 | |||||
| 12 | P | 43.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | cis | -143.3 | -177 | 7.9 | 33.4 | -8.5 | 0 | 0 | 0 | 118.3 | ||||
| 13 | C | 31 | Very low | 33.1 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -71.1 | 166.9 | 170.6 | -54.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 14 | L | 30.4 | Very low | 33.1 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | 175.2 | 125.3 | 138.3 | -89.5 | 148.7 | 0 | 0 | 0 | 107.8 | ||||
| 15 | R | 29.4 | Very low | 32.6 | Very low | 230 Ų | 230 | 144.3 Ų | 144.3 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | 103.6 | 129 | 58.1 | -157.1 | -179.8 | -161.7 | -155.8 | 5.7 | 112.1 | |||||
| 16 | V | 34.2 | Very low | 32.4 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -63.1 | 168.7 | -179.3 | -92.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 17 | P | 41.8 | Very low | 32.3 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -144.3 | 139.6 | 110 | 31.6 | -12.8 | 0 | 0 | 0 | 115.6 | |||||
| 18 | S | 31.1 | Very low | 32 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 59.2 | 137 | 97 | 143.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 19 | A | 31.9 | Very low | 31.8 | Very low | 83 Ų | 83 | 147.8 Ų | 147.8 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | cis | -175.8 | 159 | 5.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 20 | R | 30 | Very low | 31.5 | Very low | 206 Ų | 206 | 152.5 Ų | 152.5 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | 166.6 | 126.1 | 127.2 | -92.8 | 178.5 | -168.6 | -155.7 | 6 | 114.3 | |||||
| 21 | R | 30.1 | Very low | 31.4 | Very low | 216 Ų | 216 | 151.1 Ų | 151.1 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | 57.5 | 134.6 | 141.1 | -56.1 | 177.3 | -156.3 | -149.4 | 2.5 | 117.6 | ||||
| 22 | G | 28.8 | Very low | 31.2 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | 153.4 | 129.5 | 11.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 23 | D | 28.4 | Very low | 30.7 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 51.6 | 133.6 | 135.6 | -115.9 | -4.5 | 0 | 0 | 0 | 118.1 | ||||
| 24 | E | 30.2 | Very low | 30.8 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | cis | -165.5 | 167.7 | 42.8 | -63.9 | 179.7 | 127.6 | 0 | 0 | 109.4 | ||||
| 25 | G | 29.1 | Very low | 30.8 | Very low | 80 Ų | 80 | 152.6 Ų | 152.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 135.1 | 68.8 | 157 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 26 | L | 31 | Very low | 31.2 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 143.9 | 169.3 | -94.7 | 133.9 | 0 | 0 | 0 | 112.7 | ||||
| 27 | H | 29.8 | Very low | 31.2 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -32.6 | 149.1 | 144.9 | -79.4 | -59.4 | 0 | 0 | 0 | 112.8 | ||||
| 28 | Q | 27.7 | Very low | 31.1 | Very low | 158 Ų | 158 | 153.7 Ų | 153.7 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | cis | -179.7 | 156.4 | 44.2 | -121.2 | 153.1 | 39.2 | 0 | 0 | 105.4 | ||||
| 29 | D | 28 | Very low | 31.1 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | -171.9 | 140.8 | 127.7 | -95.2 | -24.1 | 0 | 0 | 0 | 112.1 | |||||
| 30 | E | 30.9 | Very low | 31.4 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -75.3 | 150.6 | -169.7 | -61.7 | 178.6 | 95.2 | 0 | 0 | 114.2 | ||||
| 31 | A | 29.4 | Very low | 31.7 | Very low | 99 Ų | 99 | 153.6 Ų | 153.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -160 | 96.2 | 143.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 32 | S | 29.5 | Very low | 32.1 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 34.3 | 134.6 | 136.5 | -83.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 33 | Q | 31.8 | Very low | 33 | Very low | 179 Ų | 179 | 157 Ų | 157 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | 77.9 | 110.7 | 144.8 | -70.2 | 172.2 | 4.2 | 0 | 0 | 118.7 | ||||
| 34 | K | 32.7 | Very low | 33.8 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | -164.7 | 143.7 | 115.6 | -103 | 162.1 | -169.2 | -178.2 | 0 | 113.6 | |||||
| 35 | M | 30.3 | Very low | 34.7 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -61.1 | 155.3 | -172.4 | -68.8 | 170.4 | 50.9 | 0 | 0 | 115.4 | ||||
| 36 | S | 37.9 | Very low | 35.8 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -43.6 | 129.7 | 159.2 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 37 | K | 34.4 | Very low | 36.9 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -142.7 | 109.5 | 142.6 | -97.8 | 179.3 | -178.3 | 178.8 | 0 | 107.5 | Q39 | K37-Q39 PolarHBondContact O-N 3.16Š| ||
| 38 | Q | 40.1 | Very low | 38.2 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 119.1 | 168.9 | -75.2 | 167.4 | -16.7 | 0 | 0 | 108.8 | ||
| 39 | Q | 32.1 | Very low | 39.2 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 143 | 161.9 | -75.2 | -177.9 | 6.1 | 0 | 0 | 108.3 | K37 T41 | K37-Q39 PolarHBondContact O-N 3.16Å; Q39-T41 PolarHBondContact O-N 3.16Å |
| 40 | P | 36.4 | Very low | 40.6 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 128.3 | 176.7 | 26.3 | -32.2 | 0 | 0 | 0 | 108.3 | Q42 | P40-Q42 PolarHBondContact O-N 3.41Š|
| 41 | T | 38.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -54.1 | 100.8 | 172.5 | 42.8 | 0 | 0 | 0 | 0 | 108.7 | Q39 F43 | Q39-T41 PolarHBondContact O-N 3.16Å; T41-F43 PolarHBondContact O-N 3.48Å | ||
| 42 | Q | 38.3 | Very low | 43.9 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -63.3 | 117.3 | 173.2 | -72.8 | 175.4 | -10.9 | 0 | 0 | 107.7 | P40 I44 | P40-Q42 PolarHBondContact O-N 3.41Å; Q42-I44 HydrophobicContact CB-CD1 4.28Å; Q42-I44 HydrophobicContact CB-CG1 4.25Å; Q42-I44 PolarHBondContact O-N 3.36Å | ||
| 43 | F | 47 | Very low | 45.8 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 91% | 0.912 | 75% | 0.745 | S | S | * | * | trans | -71.7 | 75.8 | 164.7 | -72.1 | -85.1 | 0 | 0 | 0 | 108.6 | T41 | T41-F43 PolarHBondContact O-N 3.48Š| ||
| 44 | I | 44.8 | Very low | 47.7 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | trans | -134.7 | 101.8 | 172 | -54.8 | 174.8 | 0 | 0 | 0 | 106.5 | Q42 P46 | Q42-I44 HydrophobicContact CB-CD1 4.28Å; Q42-I44 HydrophobicContact CB-CG1 4.25Å; Q42-I44 PolarHBondContact O-N 3.36Å; I44-P46 WeakPolarHBondContact O-CD 3.44Å | ||
| 45 | N | 50.1 | Low | 49.8 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | -65.9 | 120.2 | 162.4 | -94.4 | -14.6 | 0 | 0 | 0 | 107.4 | E47 | N45-E47 PolarHBondContact O-N 3.17Š| ||
| 46 | P | 50.7 | Low | 51.9 | Low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | trans | -90.3 | 39.6 | -177.9 | 36.7 | -32.9 | 0 | 0 | 0 | 112.1 | I44 | I44-P46 WeakPolarHBondContact O-CD 3.44Š| ||
| 47 | E | 54.8 | Low | 53.8 | Low | 160 Ų | 160 | 126.4 Ų | 126.4 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -127.1 | 110.3 | 171.4 | -66.5 | -165.3 | 168.1 | 0 | 0 | 109.1 | N45 | N45-E47 PolarHBondContact O-N 3.17Š|
| 48 | T | 56.7 | Low | 55.9 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | trans | 69.1 | 106 | 178.6 | 43.9 | 0 | 0 | 0 | 0 | 118 | G50 Y51 | T48-G50 PolarHBondContact O-N 3.23Å; T48-Y51 PolarHBondContact O-N 3.3Å; T48-Y51 WeakPolarHBondContact OG1-CB 3.28Å | ||
| 49 | P | 49.5 | Very low | 57.7 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 92% | 0.922 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 110.7 | 166 | 27.3 | -29.4 | 0 | 0 | 0 | 108.4 | ||
| 50 | G | 57.8 | Low | 59.7 | Low | 70 Ų | 70 | 113.9 Ų | 113.9 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.4 | -6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T48 V52 | T48-G50 PolarHBondContact O-N 3.23Å; G50-V52 WeakPolarHBondContact O-CG2 3.44Å; G50-V52 PolarHBondContact O-N 2.84Å |
| 51 | Y | 62.4 | Low | 61.7 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 45% | 0.451 | 63% | 0.627 | S | S | . | * | trans | -79.4 | 86.1 | 175 | -166.5 | -100.2 | 0 | 0 | 0 | 111.2 | T48 G53 A55 N56 | T48-Y51 PolarHBondContact O-N 3.3Å; T48-Y51 WeakPolarHBondContact OG1-CB 3.28Å; Y51-G53 PolarHBondContact O-N 2.91Å; Y51-G53 VanDerWaalsContact O-N 3.12Å; Y51-A55 HydrophobicContact CE2-CB 3.97Å; Y51-N56 PolarHBondContact OH-ND2 3.46Å; Y51-N56 PolarHBondContact OH-OD1 2.74Å | ||
| 52 | V | 66.8 | Low | 63.3 | Low | 109 Ų | 109 | 112.2 Ų | 112.2 | 66% | 0.661 | 62% | 0.618 | S | S | * | * | trans | -72.2 | 1.5 | -179.2 | -161.3 | 0 | 0 | 0 | 0 | 112.6 | G50 F54 | G50-V52 WeakPolarHBondContact O-CG2 3.44Å; G50-V52 PolarHBondContact O-N 2.84Å; V52-F54 HydrophobicContact CB-CD2 3.71Å; V52-F54 HydrophobicContact CB-CE2 3.9Å; V52-F54 HydrophobicContact CG1-CD2 3.68Å; V52-F54 HydrophobicContact CG1-CE2 3.34Å; V52-F54 HydrophobicContact CG1-CZ 4.17Å; V52-F54 PolarHBondContact O-N 2.92Å; V52-F54 VanDerWaalsContact O-N 3.1Å | ||
| 53 | G | 69.3 | Low | 65 | Low | 29 Ų | 29 | 113.7 Ų | 113.7 | 30% | 0.299 | 62% | 0.617 | S | S | . | * | S | Bend | trans | 73.4 | -3.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y51 A55 N56 | Y51-G53 PolarHBondContact O-N 2.91Å; Y51-G53 VanDerWaalsContact O-N 3.12Å; G53-A55 PolarHBondContact O-N 2.88Å; G53-N56 PolarHBondContact O-N 2.87Å |
| 54 | F | 71.9 | Confident | 66.5 | Low | 146 Ų | 146 | 111.3 Ų | 111.3 | 64% | 0.64 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -57.1 | -29.2 | 172.3 | -69 | -61.6 | 0 | 0 | 0 | 113 | V52 N56 L57 P58 | V52-F54 HydrophobicContact CB-CD2 3.71Å; V52-F54 HydrophobicContact CB-CE2 3.9Å; V52-F54 HydrophobicContact CG1-CD2 3.68Å; V52-F54 HydrophobicContact CG1-CE2 3.34Å; V52-F54 HydrophobicContact CG1-CZ 4.17Å; V52-F54 PolarHBondContact O-N 2.92Å; V52-F54 VanDerWaalsContact O-N 3.1Å; F54-N56 PolarHBondContact O-N 3.32Å; F54-N56 VanDerWaalsContact O-N 3.14Å; F54-L57 VanDerWaalsContact O-CB 3.26Å; F54-L57 WeakPolarHBondContact O-CB 3.42Å; F54-L57 PolarHBondContact O-N 3.41Å; F54-P58 WeakPolarHBondContact O-CD 3.12Å |
| 55 | A | 75.4 | Confident | 67.9 | Low | 63 Ų | 63 | 108 Ų | 108 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -59.9 | -23.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y51 G53 | Y51-A55 HydrophobicContact CE2-CB 3.97Å; G53-A55 PolarHBondContact O-N 2.88Å |
| 56 | N | 74.5 | Confident | 69.1 | Low | 83 Ų | 83 | 103 Ų | 103 | 44% | 0.444 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -93.1 | -6.8 | 176.2 | -74.4 | -25.4 | 0 | 0 | 0 | 113.6 | Y51 G53 F54 N59 Q60 | Y51-N56 PolarHBondContact OH-ND2 3.46Å; Y51-N56 PolarHBondContact OH-OD1 2.74Å; G53-N56 PolarHBondContact O-N 2.87Å; F54-N56 PolarHBondContact O-N 3.32Å; F54-N56 VanDerWaalsContact O-N 3.14Å; N56-N59 PolarHBondContact O-N 3.02Å; N56-Q60 WeakPolarHBondContact O-CB 3.37Å; N56-Q60 PolarHBondContact O-N 2.72Å |
| 57 | L | 77.8 | Confident | 70.2 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 48% | 0.482 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -46 | 178.5 | -144 | 87.6 | 0 | 0 | 0 | 111.8 | F54 N59 Q60 V61 | F54-L57 VanDerWaalsContact O-CB 3.26Å; F54-L57 WeakPolarHBondContact O-CB 3.42Å; F54-L57 PolarHBondContact O-N 3.41Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.45Å; L57-Q60 PolarHBondContact O-N 3.34Å; L57-Q60 VanDerWaalsContact O-N 3.11Å; L57-V61 WeakPolarHBondContact O-CG2 3.35Å; L57-V61 PolarHBondContact O-N 3.2Å |
| 58 | P | 79.9 | Confident | 71 | Confident | 83 Ų | 83 | 106.8 Ų | 106.8 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.7 | -42.5 | 175.5 | -23.9 | 34.8 | 0 | 0 | 0 | 111.9 | F54 Q60 V61 H62 | F54-P58 WeakPolarHBondContact O-CD 3.12Å; P58-Q60 VanDerWaalsContact C-N 3.31Å; P58-Q60 PolarHBondContact O-N 3.23Å; P58-V61 PolarHBondContact O-N 2.54Å; P58-H62 VanDerWaalsContact O-CB 3.24Å; P58-H62 WeakPolarHBondContact O-CB 3.36Å; P58-H62 PolarHBondContact O-N 2.85Å |
| 59 | N | 77.1 | Confident | 71.8 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 45% | 0.449 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 176.8 | -69.6 | -31.7 | 0 | 0 | 0 | 112.3 | N56 L57 R63 | N56-N59 PolarHBondContact O-N 3.02Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.45Å; N59-R63 WeakPolarHBondContact O-CB 3.03Å; N59-R63 VanDerWaalsContact O-CG 3.26Å; N59-R63 WeakPolarHBondContact O-CG 3.5Å; N59-R63 PolarHBondContact O-N 2.7Å |
| 60 | Q | 75.2 | Confident | 73.3 | Confident | 134 Ų | 134 | 99.6 Ų | 99.6 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.5 | -42.5 | 176.7 | -171.4 | 179.1 | 79.1 | 0 | 0 | 111.7 | N56 L57 P58 R63 K64 | N56-Q60 WeakPolarHBondContact O-CB 3.37Å; N56-Q60 PolarHBondContact O-N 2.72Å; L57-Q60 PolarHBondContact O-N 3.34Å; L57-Q60 VanDerWaalsContact O-N 3.11Å; P58-Q60 VanDerWaalsContact C-N 3.31Å; P58-Q60 PolarHBondContact O-N 3.23Å; Q60-R63 PolarHBondContact O-N 3.17Å; Q60-K64 VanDerWaalsContact O-CB 3.29Å; Q60-K64 WeakPolarHBondContact O-CB 3.37Å; Q60-K64 PolarHBondContact O-N 3.26Å |
| 61 | V | 76.7 | Confident | 74.7 | Confident | 82 Ų | 82 | 98.4 Ų | 98.4 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | L57 P58 R63 K64 S65 | L57-V61 WeakPolarHBondContact O-CG2 3.35Å; L57-V61 PolarHBondContact O-N 3.2Å; P58-V61 PolarHBondContact O-N 2.54Å; V61-R63 PolarHBondContact O-N 3.07Å; V61-K64 PolarHBondContact O-N 3.38Å; V61-K64 VanDerWaalsContact O-N 3.13Å; V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.22Å; V61-S65 PolarHBondContact O-OG 2.98Å; V61-S65 VanDerWaalsContact O-OG 3.06Å |
| 62 | H | 73.5 | Confident | 75.9 | Confident | 120 Ų | 120 | 93 Ų | 93 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.6 | -50.3 | 176.2 | -176.1 | 73 | 0 | 0 | 0 | 111.7 | P58 K64 S65 V66 | P58-H62 VanDerWaalsContact O-CB 3.24Å; P58-H62 WeakPolarHBondContact O-CB 3.36Å; P58-H62 PolarHBondContact O-N 2.85Å; H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact O-N 3.06Å; H62-S65 PolarHBondContact O-N 3.17Å; H62-V66 WeakPolarHBondContact O-CB 2.99Å; H62-V66 WeakPolarHBondContact O-CG2 3.47Å; H62-V66 PolarHBondContact O-N 3.12Å |
| 63 | R | 73.9 | Confident | 77.1 | Confident | 179 Ų | 179 | 88 Ų | 88 | 68% | 0.675 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.6 | -36.5 | 176.5 | -74.9 | 178.3 | -156.5 | -175.9 | 6.6 | 113.1 | N59 Q60 V61 K67 | N59-R63 WeakPolarHBondContact O-CB 3.03Å; N59-R63 VanDerWaalsContact O-CG 3.26Å; N59-R63 WeakPolarHBondContact O-CG 3.5Å; N59-R63 PolarHBondContact O-N 2.7Å; Q60-R63 PolarHBondContact O-N 3.17Å; V61-R63 PolarHBondContact O-N 3.07Å; R63-K67 WeakPolarHBondContact O-CB 3.03Å; R63-K67 WeakPolarHBondContact O-CG 3.46Å; R63-K67 PolarHBondContact O-N 3.27Å |
| 64 | K | 78.1 | Confident | 78.2 | Confident | 158 Ų | 158 | 86.6 Ų | 86.6 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.1 | -41.7 | 178.3 | -170.4 | 178.5 | 179.2 | -175.4 | 0 | 111 | Q60 V61 H62 K67 K68 | Q60-K64 VanDerWaalsContact O-CB 3.29Å; Q60-K64 WeakPolarHBondContact O-CB 3.37Å; Q60-K64 PolarHBondContact O-N 3.26Å; V61-K64 PolarHBondContact O-N 3.38Å; V61-K64 VanDerWaalsContact O-N 3.13Å; H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact O-N 3.06Å; K64-K67 PolarHBondContact O-N 3.45Å; K64-K68 WeakPolarHBondContact O-CB 3.21Å; K64-K68 PolarHBondContact O-N 2.77Å |
| 65 | S | 73.3 | Confident | 79.1 | Confident | 48 Ų | 48 | 79.6 Ų | 79.6 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.5 | -60 | 0 | 0 | 0 | 0 | 111.4 | V61 H62 K67 K68 G69 | V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.22Å; V61-S65 PolarHBondContact O-OG 2.98Å; V61-S65 VanDerWaalsContact O-OG 3.06Å; H62-S65 PolarHBondContact O-N 3.17Å; S65-K67 VanDerWaalsContact C-N 3.3Å; S65-K67 PolarHBondContact O-N 3.27Å; S65-K68 PolarHBondContact O-N 2.61Å; S65-G69 PolarHBondContact O-N 3.27Å |
| 66 | V | 75.8 | Confident | 79.9 | Confident | 42 Ų | 42 | 76.7 Ų | 76.7 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | H62 G126 V127 | H62-V66 WeakPolarHBondContact O-CB 2.99Å; H62-V66 WeakPolarHBondContact O-CG2 3.47Å; H62-V66 PolarHBondContact O-N 3.12Å; V66-G126 WeakPolarHBondContact CG1-O 3.34Å; V66-V127 HydrophobicContact CG2-CG2 4.44Å |
| 67 | K | 73.3 | Confident | 80.6 | Confident | 190 Ų | 190 | 72.7 Ų | 72.7 | 83% | 0.826 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.2 | -35.4 | 175.6 | -81.3 | -173.8 | 176.6 | -172.6 | 0 | 113.9 | R63 K64 S65 G69 | R63-K67 WeakPolarHBondContact O-CB 3.03Å; R63-K67 WeakPolarHBondContact O-CG 3.46Å; R63-K67 PolarHBondContact O-N 3.27Å; K64-K67 PolarHBondContact O-N 3.45Å; S65-K67 VanDerWaalsContact C-N 3.3Å; S65-K67 PolarHBondContact O-N 3.27Å; K67-G69 VanDerWaalsContact C-N 3.3Å |
| 68 | K | 72.1 | Confident | 81.1 | Confident | 173 Ų | 173 | 68.3 Ų | 68.3 | 75% | 0.752 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.2 | -30.2 | 178.9 | -165.7 | -178 | 177.8 | -165.6 | 0 | 111 | K64 S65 | K64-K68 WeakPolarHBondContact O-CB 3.21Å; K64-K68 PolarHBondContact O-N 2.77Å; S65-K68 PolarHBondContact O-N 2.61Å |
| 69 | G | 74.7 | Confident | 81.4 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | trans | 73.1 | 176.3 | -172 | 0 | 0 | 0 | 0 | 0 | 111.6 | S65 K67 K128 | S65-G69 PolarHBondContact O-N 3.27Å; K67-G69 VanDerWaalsContact C-N 3.3Å; G69-K128 CarbonylContact C-O 3.59Å; G69-K128 WeakPolarHBondContact CA-O 3.48Å | ||
| 70 | F | 80.1 | Confident | 81.7 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.8 | 178.4 | -62.3 | -86 | 0 | 0 | 0 | 109.8 | V127 K128 L129 R130 | F70-V127 HydrophobicContact CD2-CG1 3.56Å; F70-V127 HydrophobicContact CE2-CG1 3.57Å; F70-K128 PolarHBondContact N-O 3.49Å; F70-L129 HydrophobicContact CB-CD1 3.75Å; F70-L129 CarbonylContact O-C 3.54Å; F70-L129 WeakPolarHBondContact O-CA 3.25Å; F70-R130 PolarHBondContact O-N 3.07Å |
| 71 | E | 86.3 | Confident | 82.1 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.5 | 177.4 | -62.2 | 178.2 | -176.6 | 0 | 0 | 108.2 | R130 D177 H181 Q322 | E71-R130 CarbonylContact C-O 3.54Å; E71-R130 WeakPolarHBondContact CA-O 3.36Å; E71-R130 VanDerWaalsContact CD-CZ 3.48Å; E71-R130 HydrophobicContact CG-CB 4.43Å; E71-R130 IonicContact OE1-CZ 3.38Å; E71-R130 IonicContact OE1-NH1 2.69Å; E71-R130 PolarHBondContact OE1-NH1 2.52Å; E71-R130 IonicContact OE1-NH2 2.82Å; E71-R130 PolarHBondContact OE1-NH2 3.07Å; E71-R130 IonicContact OE2-CZ 2.87Å; E71-R130 IonicContact OE2-NH2 2.75Å; E71-R130 PolarHBondContact OE2-NH2 2.88Å; E71-D177 PolarHBondContact OE2-N 2.86Å; E71-H181 PolarHBondContact O-CE1 2.81Å; E71-Q322 PolarHBondContact O-NE2 3.45Å |
| 72 | F | 89.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 120.9 | 179.5 | -169.1 | -93.4 | 0 | 0 | 0 | 111.4 | L74 L129 R130 L131 T132 H181 C182 L314 M318 L321 Q322 | F72-L74 HydrophobicContact CD1-CB 4.33Å; F72-L74 HydrophobicContact CE1-CB 4.06Å; F72-L74 HydrophobicContact CE1-CD1 4.4Å; F72-L129 HydrophobicContact CB-CD1 3.99Å; F72-R130 PolarHBondContact N-O 3.24Å; F72-L131 HydrophobicContact CB-CD1 4.36Å; F72-L131 HydrophobicContact CD1-CD1 3.78Å; F72-L131 CarbonylContact O-C 3.16Å; F72-L131 WeakPolarHBondContact O-CA 3.32Å; F72-T132 PolarHBondContact O-N 2.73Å; F72-H181 HydrophobicContact CD2-CB 4.09Å; F72-H181 AromaticContact CD2-ND1 3.63Å; F72-H181 HydrophobicContact CE2-CB 3.69Å; F72-H181 AromaticContact CG-ND1 3.93Å; F72-H181 HydrophobicContact CZ-CB 4.07Å; F72-C182 HydrophobicContact CE1-CB 4.33Å; F72-C182 HydrophobicContact CZ-CB 3.87Å; F72-L314 HydrophobicContact CE1-CD1 3.94Å; F72-L314 HydrophobicContact CZ-CD1 3.89Å; F72-M318 HydrophobicContact CB-CE 3.42Å; F72-M318 VanDerWaalsContact CB-CE 3.42Å; F72-M318 HydrophobicContact CD1-CE 3.42Å; F72-M318 VanDerWaalsContact CD1-CE 3.42Å; F72-M318 HydrophobicContact CD2-CB 4.18Å; F72-M318 HydrophobicContact CD2-CE 3.45Å; F72-M318 VanDerWaalsContact CD2-CE 3.45Å; F72-M318 HydrophobicContact CE1-CE 3.96Å; F72-M318 HydrophobicContact CE2-CB 4.1Å; F72-M318 HydrophobicContact CE2-CE 3.98Å; F72-M318 HydrophobicContact CE2-CG 4.46Å; F72-M318 HydrophobicContact CG-CE 3.13Å; F72-M318 HydrophobicContact CZ-CE 4.21Å; F72-L321 HydrophobicContact CE2-CB 4.25Å; F72-L321 HydrophobicContact CE2-CD1 4.45Å; F72-L321 HydrophobicContact CZ-CD1 4.11Å; F72-Q322 HydrophobicContact CD2-CG 4.17Å; F72-Q322 HydrophobicContact CE2-CG 4.45Å |
| 73 | T | 91.1 | Very high | 83.2 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.5 | 175.1 | -50.6 | 0 | 0 | 0 | 0 | 110.6 | T132 V134 R179 V180 H181 | T73-T132 CarbonylContact C-O 3.55Å; T73-T132 VanDerWaalsContact CA-O 3.24Å; T73-T132 WeakPolarHBondContact CA-O 3.46Å; T73-T132 HydrophobicContact CG2-CG2 4.19Å; T73-V134 HydrophobicContact CG2-CG2 3.71Å; T73-R179 WeakPolarHBondContact CB-O 3.16Å; T73-R179 PolarHBondContact OG1-O 3.14Å; T73-V180 HydrophobicContact CG2-CG2 4.26Å; T73-H181 PolarHBondContact N-ND1 3.3Å; T73-H181 PolarHBondContact O-N 3.39Å |
| 74 | L | 91.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.1 | 175 | 179.5 | 68.4 | 0 | 0 | 0 | 109.3 | F72 V76 I88 F92 L131 T132 V133 V134 C182 F184 | F72-L74 HydrophobicContact CD1-CB 4.33Å; F72-L74 HydrophobicContact CE1-CB 4.06Å; F72-L74 HydrophobicContact CE1-CD1 4.4Å; L74-V76 HydrophobicContact CD2-CG2 4.46Å; L74-V76 HydrophobicContact CG-CG2 4.41Å; L74-I88 HydrophobicContact CD2-CD1 3.86Å; L74-F92 HydrophobicContact CD2-CE2 4.17Å; L74-F92 HydrophobicContact CD2-CZ 4.26Å; L74-L131 HydrophobicContact CB-CD1 4.47Å; L74-T132 PolarHBondContact N-O 2.85Å; L74-V133 CarbonylContact O-C 3.55Å; L74-V133 WeakPolarHBondContact O-CA 3.42Å; L74-V134 PolarHBondContact O-N 3.44Å; L74-C182 HydrophobicContact CD1-CB 3.88Å; L74-F184 HydrophobicContact CD1-CD1 3.75Å; L74-F184 HydrophobicContact CD1-CD2 4.1Å; L74-F184 HydrophobicContact CD1-CE1 3.79Å; L74-F184 HydrophobicContact CD1-CE2 4.12Å; L74-F184 HydrophobicContact CD1-CG 3.94Å; L74-F184 HydrophobicContact CD1-CZ 3.98Å; L74-F184 HydrophobicContact CD2-CD2 4.03Å; L74-F184 HydrophobicContact CD2-CE2 3.86Å; L74-F184 HydrophobicContact CD2-CZ 4.35Å; L74-F184 HydrophobicContact CG-CD2 4.5Å |
| 75 | M | 91.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 140.6 | 171.8 | -172.9 | 170 | -166.4 | 0 | 0 | 110.9 | V77 V134 T136 I152 I156 V180 C182 C183 F184 | M75-V77 HydrophobicContact CE-CG2 4.04Å; M75-V77 HydrophobicContact CG-CG2 4Å; M75-V77 HydrophobicContact SD-CG2 4.37Å; M75-V134 WeakPolarHBondContact CA-O 3.44Å; M75-V134 HydrophobicContact CB-CB 4.32Å; M75-V134 HydrophobicContact CE-CG1 4.44Å; M75-V134 HydrophobicContact CG-CB 4.26Å; M75-V134 HydrophobicContact CG-CG1 4.32Å; M75-T136 HydrophobicContact CE-CG2 3.31Å; M75-I152 HydrophobicContact CE-CB 4.15Å; M75-I152 HydrophobicContact CE-CG1 3.98Å; M75-I152 HydrophobicContact CE-CG2 3.45Å; M75-I152 VanDerWaalsContact CE-CG2 3.45Å; M75-I152 HydrophobicContact SD-CG2 4.16Å; M75-I156 HydrophobicContact SD-CD1 4.2Å; M75-I156 HydrophobicContact SD-CG1 4.27Å; M75-V180 HydrophobicContact CB-CG1 3.44Å; M75-V180 VanDerWaalsContact CB-CG1 3.44Å; M75-V180 HydrophobicContact SD-CG1 4.46Å; M75-C182 PolarHBondContact N-O 2.71Å; M75-C183 HydrophobicContact CB-CB 4.45Å; M75-C183 CarbonylContact O-C 3.41Å; M75-C183 WeakPolarHBondContact O-CA 3.42Å; M75-F184 PolarHBondContact O-N 2.9Å |
| 76 | V | 91.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.1 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | L74 K84 I88 V133 V134 T136 F186 | L74-V76 HydrophobicContact CD2-CG2 4.46Å; L74-V76 HydrophobicContact CG-CG2 4.41Å; V76-K84 HydrophobicContact CG1-CB 3.77Å; V76-K84 HydrophobicContact CG1-CD 3.8Å; V76-K84 HydrophobicContact CG1-CG 4.12Å; V76-I88 HydrophobicContact CG2-CD1 3.62Å; V76-I88 HydrophobicContact CG2-CG1 3.98Å; V76-V133 HydrophobicContact CG2-CG1 4.17Å; V76-V134 PolarHBondContact N-O 3.4Å; V76-T136 PolarHBondContact O-OG1 2.98Å; V76-F186 HydrophobicContact CG1-CD2 4.03Å; V76-F186 HydrophobicContact CG1-CE2 3.54Å; V76-F186 HydrophobicContact CG1-CZ 4.39Å |
| 77 | V | 90.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.2 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | M75 T136 Y139 I152 F184 Y185 F186 F201 | M75-V77 HydrophobicContact CE-CG2 4.04Å; M75-V77 HydrophobicContact CG-CG2 4Å; M75-V77 HydrophobicContact SD-CG2 4.37Å; V77-T136 HydrophobicContact CG2-CG2 4.37Å; V77-Y139 HydrophobicContact CG1-CD1 3.96Å; V77-Y139 HydrophobicContact CG1-CD2 3.94Å; V77-Y139 HydrophobicContact CG1-CE1 4.02Å; V77-Y139 HydrophobicContact CG1-CE2 4.01Å; V77-Y139 HydrophobicContact CG1-CG 3.91Å; V77-I152 HydrophobicContact CG1-CD1 4.05Å; V77-I152 HydrophobicContact CG2-CD1 4.37Å; V77-F184 PolarHBondContact N-O 3.15Å; V77-F184 VanDerWaalsContact O-O 3.14Å; V77-Y185 HydrophobicContact CB-CD2 4.2Å; V77-Y185 HydrophobicContact CG1-CD2 4.25Å; V77-Y185 HydrophobicContact CG1-CE2 4.06Å; V77-F186 PolarHBondContact O-N 2.88Å; V77-F201 HydrophobicContact CB-CE1 4.07Å; V77-F201 HydrophobicContact CB-CZ 4.11Å; V77-F201 HydrophobicContact CG1-CD1 4.42Å; V77-F201 HydrophobicContact CG1-CE1 3.7Å; V77-F201 HydrophobicContact CG1-CE2 4.22Å; V77-F201 HydrophobicContact CG1-CZ 3.61Å; V77-F201 HydrophobicContact CG2-CE1 4.29Å; V77-F201 HydrophobicContact CG2-CZ 3.94Å |
| 78 | G | 88 | Confident | 86 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | 174 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K84 | G78-K84 PolarHBondContact O-NZ 3.26Å |
| 79 | E | 85.4 | Confident | 86.7 | Confident | 38 Ų | 38 | 19.7 Ų | 19.7 | 18% | 0.178 | 13% | 0.129 | C | C | . | . | trans | -59.2 | 151 | -177.3 | -61.5 | -178.5 | 153.2 | 0 | 0 | 112.2 | L82 K84 K195 | E79-L82 HydrophobicContact CB-CD1 3.89Å; E79-L82 HydrophobicContact CB-CG 4.08Å; E79-L82 WeakPolarHBondContact O-CG 3.36Å; E79-K84 PolarHBondContact O-NZ 3.16Å; E79-K195 WeakPolarHBondContact OE1-CD 3.42Å; E79-K195 IonicContact OE1-NZ 2.61Å; E79-K195 PolarHBondContact OE1-NZ 2.79Å; E79-K195 IonicContact OE2-NZ 2.77Å; E79-K195 PolarHBondContact OE2-NZ 2.82Å | ||
| 80 | S | 84.3 | Confident | 87.1 | Confident | 48 Ų | 48 | 18.9 Ų | 18.9 | 34% | 0.336 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 144.2 | 174.4 | -162.5 | 0 | 0 | 0 | 0 | 111.2 | L82 D141 | S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.23Å; S80-D141 VanDerWaalsContact CB-CG 3.49Å; S80-D141 WeakPolarHBondContact CB-OD1 3.46Å; S80-D141 WeakPolarHBondContact CB-OD2 3.46Å; S80-D141 PolarHBondContact OG-OD2 3.39Å |
| 81 | G | 83.2 | Confident | 87.2 | Confident | 51 Ų | 51 | 15.8 Ų | 15.8 | 53% | 0.526 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 5.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G83 K217 | G81-G83 PolarHBondContact O-N 2.78Å; G81-K217 WeakPolarHBondContact O-CE 3.36Å; G81-K217 PolarHBondContact O-NZ 3.37Å |
| 82 | L | 87.4 | Confident | 86.8 | Confident | 8 Ų | 8 | 14.9 Ų | 14.9 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -74.3 | -4.5 | 172.8 | -68.3 | -175.9 | 0 | 0 | 0 | 114.4 | E79 S80 K84 F186 A216 | E79-L82 HydrophobicContact CB-CD1 3.89Å; E79-L82 HydrophobicContact CB-CG 4.08Å; E79-L82 WeakPolarHBondContact O-CG 3.36Å; S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.23Å; L82-K84 HydrophobicContact CB-CG 4.45Å; L82-F186 HydrophobicContact CD1-CB 3.87Å; L82-F186 WeakPolarHBondContact CD1-O 3.35Å; L82-A216 HydrophobicContact CB-CB 3.79Å; L82-A216 HydrophobicContact CD1-CB 4.32Å; L82-A216 HydrophobicContact CD2-CB 4.12Å; L82-A216 HydrophobicContact CG-CB 4.3Å |
| 83 | G | 85.6 | Confident | 86 | Confident | 27 Ų | 27 | 19.2 Ų | 19.2 | 28% | 0.278 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 85.3 | 23.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | G81 T86 L87 | G81-G83 PolarHBondContact O-N 2.78Å; G83-T86 PolarHBondContact O-N 3.4Å; G83-L87 PolarHBondContact O-N 3.17Å |
| 84 | K | 87.7 | Confident | 85 | Confident | 11 Ų | 11 | 21 Ų | 21 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -52.3 | -56.1 | 178.7 | -57.3 | -169.7 | -59.3 | -94.2 | 0 | 112.4 | V76 G78 E79 L82 T86 L87 I88 F186 | V76-K84 HydrophobicContact CG1-CB 3.77Å; V76-K84 HydrophobicContact CG1-CD 3.8Å; V76-K84 HydrophobicContact CG1-CG 4.12Å; G78-K84 PolarHBondContact O-NZ 3.26Å; E79-K84 PolarHBondContact O-NZ 3.16Å; L82-K84 HydrophobicContact CB-CG 4.45Å; K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 3.48Å; K84-L87 WeakPolarHBondContact O-CB 2.87Å; K84-L87 PolarHBondContact O-N 3.25Å; K84-L87 VanDerWaalsContact O-N 3.13Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 2.7Å; K84-F186 HydrophobicContact CB-CE2 4.33Å; K84-F186 HydrophobicContact CB-CZ 4.24Å; K84-F186 HydrophobicContact CD-CB 4.48Å; K84-F186 HydrophobicContact CD-CD2 4.08Å; K84-F186 HydrophobicContact CD-CG 4.28Å; K84-F186 HydrophobicContact CG-CB 4.36Å; K84-F186 HydrophobicContact CG-CD1 4.05Å; K84-F186 HydrophobicContact CG-CD2 3.88Å; K84-F186 HydrophobicContact CG-CE1 4.22Å; K84-F186 HydrophobicContact CG-CE2 4.1Å; K84-F186 HydrophobicContact CG-CG 3.85Å; K84-F186 HydrophobicContact CG-CZ 4.23Å |
| 85 | S | 84.8 | Confident | 83.8 | Confident | 26 Ų | 26 | 26.2 Ų | 26.2 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.9 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | L87 I88 N89 R100 | S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.12Å; S85-I88 PolarHBondContact O-N 3.06Å; S85-N89 WeakPolarHBondContact O-CB 3.43Å; S85-N89 PolarHBondContact O-N 3.05Å; S85-N89 PolarHBondContact O-OD1 3.16Å; S85-R100 PolarHBondContact OG-NH1 2.89Å |
| 86 | T | 87.8 | Confident | 82.4 | Confident | 49 Ų | 49 | 27.1 Ų | 27.1 | 30% | 0.301 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64 | -39.5 | 176.5 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | G83 K84 S90 | G83-T86 PolarHBondContact O-N 3.4Å; K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 3.48Å; T86-S90 VanDerWaalsContact O-CB 3.32Å; T86-S90 WeakPolarHBondContact O-CB 3.37Å; T86-S90 PolarHBondContact O-N 3.32Å; T86-S90 PolarHBondContact O-OG 2.91Å |
| 87 | L | 87.7 | Confident | 81.3 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.7 | -170.1 | 74.9 | 0 | 0 | 0 | 111.1 | G83 K84 S85 S90 L91 F186 V214 V273 F307 L310 | G83-L87 PolarHBondContact O-N 3.17Å; K84-L87 WeakPolarHBondContact O-CB 2.87Å; K84-L87 PolarHBondContact O-N 3.25Å; K84-L87 VanDerWaalsContact O-N 3.13Å; S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.12Å; L87-S90 CarbonylContact O-C 3.58Å; L87-S90 WeakPolarHBondContact O-CA 3.47Å; L87-S90 WeakPolarHBondContact O-CB 3.5Å; L87-S90 PolarHBondContact O-N 2.72Å; L87-S90 VanDerWaalsContact O-N 3.11Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 2.82Å; L87-F186 HydrophobicContact CB-CE1 4.15Å; L87-F186 HydrophobicContact CB-CZ 4.08Å; L87-F186 HydrophobicContact CD2-CE1 3.6Å; L87-F186 HydrophobicContact CD2-CZ 3.37Å; L87-F186 HydrophobicContact CG-CE1 4.48Å; L87-F186 HydrophobicContact CG-CZ 4.34Å; L87-V214 HydrophobicContact CD2-CG1 4.5Å; L87-V273 HydrophobicContact CD1-CB 3.87Å; L87-V273 HydrophobicContact CD1-CG2 3.65Å; L87-V273 HydrophobicContact CD2-CG2 3.83Å; L87-V273 HydrophobicContact CG-CG2 4.39Å; L87-F307 HydrophobicContact CD1-CD2 3.6Å; L87-F307 HydrophobicContact CD1-CE2 3.68Å; L87-F307 HydrophobicContact CG-CE2 4.44Å; L87-L310 HydrophobicContact CD2-CD2 3.98Å |
| 88 | I | 87 | Confident | 79.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | -179.5 | -61.1 | -59.1 | 0 | 0 | 0 | 111.2 | L74 V76 K84 S85 S90 L91 F92 L96 V133 | L74-I88 HydrophobicContact CD2-CD1 3.86Å; V76-I88 HydrophobicContact CG2-CD1 3.62Å; V76-I88 HydrophobicContact CG2-CG1 3.98Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 2.7Å; S85-I88 PolarHBondContact O-N 3.06Å; I88-S90 PolarHBondContact O-N 2.94Å; I88-L91 PolarHBondContact O-N 3.48Å; I88-L91 VanDerWaalsContact O-N 3.11Å; I88-F92 HydrophobicContact CD1-CE2 4.47Å; I88-F92 HydrophobicContact CG2-CD2 3.77Å; I88-F92 HydrophobicContact CG2-CE2 4.05Å; I88-F92 WeakPolarHBondContact O-CD2 3.3Å; I88-F92 PolarHBondContact O-N 3.13Å; I88-F92 VanDerWaalsContact O-N 3.08Å; I88-L96 HydrophobicContact CG2-CD1 3.31Å; I88-L96 HydrophobicContact CG2-CG 4.49Å; I88-V133 HydrophobicContact CG1-CG1 4.47Å; I88-V133 HydrophobicContact CG2-CG1 4.14Å; I88-V133 HydrophobicContact CG2-CG2 4.03Å |
| 89 | N | 85.1 | Confident | 78.7 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -31.3 | 174.1 | -71.6 | 11 | 0 | 0 | 0 | 111.9 | S85 L93 T94 D95 L96 | S85-N89 WeakPolarHBondContact O-CB 3.43Å; S85-N89 PolarHBondContact O-N 3.05Å; S85-N89 PolarHBondContact O-OD1 3.16Å; N89-L93 WeakPolarHBondContact O-CA 3.47Å; N89-L93 PolarHBondContact O-N 3.36Å; N89-L93 VanDerWaalsContact O-N 3.07Å; N89-T94 WeakPolarHBondContact CA-O 3.48Å; N89-T94 WeakPolarHBondContact CB-O 3.42Å; N89-T94 PolarHBondContact OD1-O 3.33Å; N89-D95 PolarHBondContact ND2-OD1 3.16Å; N89-L96 PolarHBondContact OD1-N 3.41Å |
| 90 | S | 83.9 | Confident | 77.7 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | T86 L87 I88 L93 S276 | T86-S90 VanDerWaalsContact O-CB 3.32Å; T86-S90 WeakPolarHBondContact O-CB 3.37Å; T86-S90 PolarHBondContact O-N 3.32Å; T86-S90 PolarHBondContact O-OG 2.91Å; L87-S90 CarbonylContact O-C 3.58Å; L87-S90 WeakPolarHBondContact O-CA 3.47Å; L87-S90 WeakPolarHBondContact O-CB 3.5Å; L87-S90 PolarHBondContact O-N 2.72Å; L87-S90 VanDerWaalsContact O-N 3.11Å; I88-S90 PolarHBondContact O-N 2.94Å; S90-L93 WeakPolarHBondContact O-CD2 3.32Å; S90-S276 PolarHBondContact OG-N 2.99Å; S90-S276 VanDerWaalsContact OG-N 3.16Å; S90-S276 PolarHBondContact OG-O 3.26Å |
| 91 | L | 82.3 | Confident | 76.7 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.1 | -41.1 | -174.1 | -160.2 | 149 | 0 | 0 | 0 | 112 | L87 I88 F184 F307 L310 L314 | L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 2.82Å; I88-L91 PolarHBondContact O-N 3.48Å; I88-L91 VanDerWaalsContact O-N 3.11Å; L91-F184 HydrophobicContact CD1-CE2 4.25Å; L91-F307 HydrophobicContact CB-CE2 4.37Å; L91-F307 HydrophobicContact CB-CZ 4.35Å; L91-L310 HydrophobicContact CD1-CD2 4.48Å; L91-L314 HydrophobicContact CD1-CD2 4.28Å; L91-L314 HydrophobicContact CD2-CD2 3.69Å |
| 92 | F | 76.6 | Confident | 76 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -102.5 | -0.9 | -177.3 | -58.3 | -66.4 | 0 | 0 | 0 | 113.8 | L74 I88 T94 I122 L131 V133 L314 | L74-F92 HydrophobicContact CD2-CE2 4.17Å; L74-F92 HydrophobicContact CD2-CZ 4.26Å; I88-F92 HydrophobicContact CD1-CE2 4.47Å; I88-F92 HydrophobicContact CG2-CD2 3.77Å; I88-F92 HydrophobicContact CG2-CE2 4.05Å; I88-F92 WeakPolarHBondContact O-CD2 3.3Å; I88-F92 PolarHBondContact O-N 3.13Å; I88-F92 VanDerWaalsContact O-N 3.08Å; F92-T94 PolarHBondContact O-N 3.05Å; F92-I122 HydrophobicContact CB-CD1 3.86Å; F92-I122 HydrophobicContact CD1-CD1 3.46Å; F92-I122 VanDerWaalsContact CD1-CD1 3.46Å; F92-I122 HydrophobicContact CE1-CD1 4.32Å; F92-I122 HydrophobicContact CG-CD1 3.93Å; F92-L131 HydrophobicContact CD1-CD2 3.54Å; F92-L131 HydrophobicContact CD2-CD2 3.53Å; F92-L131 HydrophobicContact CE1-CD1 4.07Å; F92-L131 HydrophobicContact CE1-CD2 3.36Å; F92-L131 HydrophobicContact CE1-CG 4.32Å; F92-L131 HydrophobicContact CE2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD2 3.38Å; F92-L131 HydrophobicContact CG-CD2 3.6Å; F92-L131 HydrophobicContact CZ-CD1 3.79Å; F92-L131 HydrophobicContact CZ-CD2 3.26Å; F92-L131 HydrophobicContact CZ-CG 4.16Å; F92-V133 HydrophobicContact CE2-CG2 4.37Å; F92-L314 HydrophobicContact CE1-CD2 4.33Å; F92-L314 HydrophobicContact CZ-CD2 3.95Å |
| 93 | L | 73.3 | Confident | 74.8 | Confident | 93 Ų | 93 | 52 Ų | 52 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | trans | 55.9 | 18.4 | -176.4 | -46.9 | 178.3 | 0 | 0 | 0 | 113.8 | N89 S90 | N89-L93 WeakPolarHBondContact O-CA 3.47Å; N89-L93 PolarHBondContact O-N 3.36Å; N89-L93 VanDerWaalsContact O-N 3.07Å; S90-L93 WeakPolarHBondContact O-CD2 3.32Å | ||
| 94 | T | 70 | Confident | 73.9 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | trans | -106.5 | 151 | -179.5 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | N89 F92 L96 V120 | N89-T94 WeakPolarHBondContact CA-O 3.48Å; N89-T94 WeakPolarHBondContact CB-O 3.42Å; N89-T94 PolarHBondContact OD1-O 3.33Å; F92-T94 PolarHBondContact O-N 3.05Å; T94-L96 PolarHBondContact O-N 2.71Å; T94-V120 HydrophobicContact CG2-CG1 4.04Å | ||
| 95 | D | 66.6 | Low | 72.8 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | trans | -95.5 | 90.4 | 171.5 | -166.4 | 15.9 | 0 | 0 | 0 | 109.5 | N89 Y97 | N89-D95 PolarHBondContact ND2-OD1 3.16Å; D95-Y97 VanDerWaalsContact C-N 3.29Å | ||
| 96 | L | 63.1 | Low | 71.8 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | trans | -78.6 | -13.3 | -176.5 | -62.1 | -175.8 | 0 | 0 | 0 | 113.4 | I88 N89 T94 P98 V120 V133 | I88-L96 HydrophobicContact CG2-CD1 3.31Å; I88-L96 HydrophobicContact CG2-CG 4.49Å; N89-L96 PolarHBondContact OD1-N 3.41Å; T94-L96 PolarHBondContact O-N 2.71Å; L96-P98 VanDerWaalsContact C-CD 3.49Å; L96-V120 HydrophobicContact CD2-CB 4.2Å; L96-V120 HydrophobicContact CD2-CG2 3.14Å; L96-V133 HydrophobicContact CD1-CB 4.26Å; L96-V133 HydrophobicContact CD1-CG2 3.93Å | ||
| 97 | Y | 66.4 | Low | 70.6 | Confident | 30 Ų | 30 | 63 Ų | 63 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | trans | -134.2 | 56 | -168.8 | -56.1 | -78.6 | 0 | 0 | 0 | 113.1 | D95 E99 | D95-Y97 VanDerWaalsContact C-N 3.29Å; Y97-E99 VanDerWaalsContact C-N 3.31Å; Y97-E99 PolarHBondContact O-N 2.96Å | ||
| 98 | P | 61.6 | Low | 69.4 | Low | 101 Ų | 101 | 65.7 Ų | 65.7 | 66% | 0.656 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.7 | -178 | 26.5 | -33.7 | 0 | 0 | 0 | 113.5 | L96 | L96-P98 VanDerWaalsContact C-CD 3.49Š|
| 99 | E | 62.5 | Low | 68.1 | Low | 179 Ų | 179 | 69.9 Ų | 69.9 | 84% | 0.836 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 15 | -174.1 | -64 | -173.5 | 171.4 | 0 | 0 | 114.3 | Y97 V101 | Y97-E99 VanDerWaalsContact C-N 3.31Å; Y97-E99 PolarHBondContact O-N 2.96Å; E99-V101 PolarHBondContact O-N 3.36Å; E99-V101 VanDerWaalsContact O-N 3.07Å |
| 100 | R | 65.8 | Low | 66.8 | Low | 85 Ų | 85 | 77.8 Ų | 77.8 | 32% | 0.321 | 43% | 0.431 | S | S | . | . | trans | -70.9 | 110.7 | -173.8 | -174.3 | 177.3 | -177 | 151.1 | 3.5 | 112 | S85 D135 | S85-R100 PolarHBondContact OG-NH1 2.89Å; R100-D135 IonicContact CZ-OD2 3.46Å; R100-D135 IonicContact NH1-OD2 3.37Å; R100-D135 PolarHBondContact NH1-OD2 3.39Å; R100-D135 IonicContact NH2-OD2 3.32Å; R100-D135 PolarHBondContact NH2-OD2 3.07Å | ||
| 101 | V | 62.8 | Low | 65.8 | Low | 123 Ų | 123 | 80.7 Ų | 80.7 | 75% | 0.745 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -84 | 120.4 | 171.3 | -176 | 0 | 0 | 0 | 0 | 110 | E99 P103 | E99-V101 PolarHBondContact O-N 3.36Å; E99-V101 VanDerWaalsContact O-N 3.07Å; V101-P103 WeakPolarHBondContact O-CD 3.43Å |
| 102 | I | 67.7 | Low | 64.9 | Low | 128 Ų | 128 | 85 Ų | 85 | 66% | 0.656 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 116.6 | 172 | -57.6 | 177 | 0 | 0 | 0 | 107.5 | ||
| 103 | P | 62.8 | Low | 64.8 | Low | 22 Ų | 22 | 84.2 Ų | 84.2 | 14% | 0.143 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 159.5 | -178.6 | 33.1 | -41.4 | 0 | 0 | 0 | 111.8 | V101 E107 K108 | V101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-E107 HydrophobicContact CB-CB 3.99Å; P103-E107 VanDerWaalsContact CB-OE2 3.28Å; P103-E107 WeakPolarHBondContact CB-OE2 3.2Å; P103-K108 HydrophobicContact CG-CG 4.1Å; P103-K108 WeakPolarHBondContact O-CE 3.2Å |
| 104 | G | 66.2 | Low | 64.9 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 45% | 0.454 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 163 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A106 E107 K108 | G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 2.96Å; G104-E107 PolarHBondContact O-N 3.27Å; G104-K108 WeakPolarHBondContact O-CG 3.22Å; G104-K108 PolarHBondContact O-N 3.1Å |
| 105 | A | 65.5 | Low | 65.6 | Low | 81 Ų | 81 | 84.6 Ų | 84.6 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59 | -33.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K108 | A105-K108 PolarHBondContact O-N 2.89Å |
| 106 | A | 62.3 | Low | 66.3 | Low | 82 Ų | 82 | 83.1 Ų | 83.1 | 68% | 0.678 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G104 K108 I109 | G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 2.96Å; A106-K108 VanDerWaalsContact C-N 3.27Å; A106-K108 PolarHBondContact O-N 3.22Å; A106-I109 PolarHBondContact O-N 3.27Å |
| 107 | E | 62.6 | Low | 67.4 | Low | 137 Ų | 137 | 85 Ų | 85 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -74.8 | -15.7 | 178.1 | -70 | 176.1 | 165 | 0 | 0 | 113 | P103 G104 | P103-E107 HydrophobicContact CB-CB 3.99Å; P103-E107 VanDerWaalsContact CB-OE2 3.28Å; P103-E107 WeakPolarHBondContact CB-OE2 3.2Å; G104-E107 PolarHBondContact O-N 3.27Å |
| 108 | K | 63.1 | Low | 68.2 | Low | 60 Ų | 60 | 85 Ų | 85 | 26% | 0.261 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.5 | -21.8 | 176.8 | -68.8 | 178.6 | -168.2 | -175.1 | 0 | 113.3 | P103 G104 A105 A106 E110 R111 D141 | P103-K108 HydrophobicContact CG-CG 4.1Å; P103-K108 WeakPolarHBondContact O-CE 3.2Å; G104-K108 WeakPolarHBondContact O-CG 3.22Å; G104-K108 PolarHBondContact O-N 3.1Å; A105-K108 PolarHBondContact O-N 2.89Å; A106-K108 VanDerWaalsContact C-N 3.27Å; A106-K108 PolarHBondContact O-N 3.22Å; K108-E110 VanDerWaalsContact C-N 3.29Å; K108-E110 PolarHBondContact O-N 3.49Å; K108-R111 PolarHBondContact O-N 3.07Å; K108-D141 HydrophobicContact CB-CB 4.5Å; K108-D141 CarbonylContact O-C 3.58Å |
| 109 | I | 60.9 | Low | 69.3 | Low | 88 Ų | 88 | 83.9 Ų | 83.9 | 45% | 0.451 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -36.7 | -172.1 | -63.5 | 173 | 0 | 0 | 0 | 111.8 | A106 I143 | A106-I109 PolarHBondContact O-N 3.27Å; I109-I143 HydrophobicContact CG2-CD1 3.85Å; I109-I143 HydrophobicContact CG2-CG1 4.34Å |
| 110 | E | 57.4 | Low | 70.4 | Confident | 176 Ų | 176 | 77 Ų | 77 | 82% | 0.822 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 12.1 | -178.2 | -61.7 | -173.8 | 166.7 | 0 | 0 | 113.1 | K108 T112 | K108-E110 VanDerWaalsContact C-N 3.29Å; K108-E110 PolarHBondContact O-N 3.49Å; E110-T112 PolarHBondContact O-N 3.05Å; E110-T112 VanDerWaalsContact O-N 3.16Å |
| 111 | R | 63.3 | Low | 71.2 | Confident | 62 Ų | 62 | 80 Ų | 80 | 23% | 0.234 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 120.3 | -176.1 | -168.7 | 170.6 | -177.9 | 164.9 | 6.6 | 110.3 | K108 | K108-R111 PolarHBondContact O-N 3.07Š|
| 112 | T | 63.1 | Low | 72 | Confident | 98 Ų | 98 | 75.9 Ų | 75.9 | 60% | 0.601 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 151.9 | 172.4 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | E110 Q114 | E110-T112 PolarHBondContact O-N 3.05Å; E110-T112 VanDerWaalsContact O-N 3.16Å; T112-Q114 PolarHBondContact O-N 3.16Å |
| 113 | V | 74.5 | Confident | 72.5 | Confident | 11 Ų | 11 | 75.9 Ų | 75.9 | 7% | 0.067 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 118.7 | 173.3 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | P137 C148 I152 | V113-P137 WeakPolarHBondContact CA-O 3.36Å; V113-C148 HydrophobicContact CG2-CB 3.64Å; V113-I152 HydrophobicContact CG1-CG1 4.35Å |
| 114 | Q | 75.8 | Confident | 72.7 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 45% | 0.449 | 44% | 0.44 | S | S | . | . | trans | -105.1 | 152 | 170 | -69.6 | 177.9 | -15.5 | 0 | 0 | 108.6 | T112 T136 P137 | T112-Q114 PolarHBondContact O-N 3.16Å; Q114-T136 WeakPolarHBondContact O-CA 3.45Å; Q114-P137 HydrophobicContact CB-CG 4.29Å; Q114-P137 PolarHBondContact N-O 3.03Å; Q114-P137 VanDerWaalsContact N-O 3.16Å; Q114-P137 WeakPolarHBondContact O-CD 3.31Å | ||
| 115 | I | 83.2 | Confident | 72.9 | Confident | 46 Ų | 46 | 89 Ų | 89 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | trans | -114.5 | 119 | 179.8 | -59 | 179.4 | 0 | 0 | 0 | 107.4 | V134 T136 T151 Y155 | I115-V134 HydrophobicContact CG2-CG1 3.38Å; I115-T136 HydrophobicContact CG1-CG2 4.38Å; I115-T151 HydrophobicContact CD1-CG2 4.07Å; I115-T151 HydrophobicContact CG1-CG2 4.41Å; I115-Y155 HydrophobicContact CB-CD2 4.47Å; I115-Y155 HydrophobicContact CD1-CD1 4.26Å; I115-Y155 HydrophobicContact CD1-CD2 3.85Å; I115-Y155 HydrophobicContact CD1-CG 3.53Å; I115-Y155 HydrophobicContact CG2-CD1 4.31Å; I115-Y155 HydrophobicContact CG2-CD2 3.89Å; I115-Y155 HydrophobicContact CG2-CE1 4.27Å; I115-Y155 HydrophobicContact CG2-CE2 3.81Å; I115-Y155 HydrophobicContact CG2-CG 4.13Å | ||
| 116 | E | 82.7 | Confident | 73.1 | Confident | 76 Ų | 76 | 87.2 Ų | 87.2 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116 | 179.4 | -70.7 | 177.3 | -177.8 | 0 | 0 | 108.4 | V134 D135 P137 | E116-V134 WeakPolarHBondContact O-CA 3.45Å; E116-D135 PolarHBondContact N-O 3.41Å; E116-D135 PolarHBondContact O-N 2.79Å; E116-P137 HydrophobicContact CG-CG 4.33Å |
| 117 | A | 84.7 | Confident | 73.8 | Confident | 59 Ų | 59 | 85.7 Ų | 85.7 | 49% | 0.488 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T132 V133 V134 | A117-T132 HydrophobicContact CB-CG2 4.19Å; A117-V133 WeakPolarHBondContact CA-O 3.48Å; A117-V134 HydrophobicContact CB-CG2 4.26Å |
| 118 | S | 84.3 | Confident | 74.7 | Confident | 32 Ų | 32 | 84.6 Ų | 84.6 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.9 | 176.3 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | T132 V133 | S118-T132 CarbonylContact O-C 3.51Å; S118-T132 WeakPolarHBondContact O-CA 3.31Å; S118-V133 PolarHBondContact N-O 2.89Å; S118-V133 PolarHBondContact O-N 3.48Å |
| 119 | T | 84.8 | Confident | 75.7 | Confident | 77 Ų | 77 | 83.2 Ų | 83.2 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.4 | 178.7 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | R130 L131 T132 | T119-R130 HydrophobicContact CG2-CG 3.4Å; T119-R130 VanDerWaalsContact CG2-CG 3.4Å; T119-L131 CarbonylContact C-O 3.6Å; T119-L131 WeakPolarHBondContact CA-O 3.32Å; T119-T132 PolarHBondContact OG1-OG1 3.33Å; T119-T132 VanDerWaalsContact OG1-OG1 3.08Å |
| 120 | V | 84.3 | Confident | 77 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | T94 L96 I122 L131 | T94-V120 HydrophobicContact CG2-CG1 4.04Å; L96-V120 HydrophobicContact CD2-CB 4.2Å; L96-V120 HydrophobicContact CD2-CG2 3.14Å; V120-I122 HydrophobicContact CG1-CG1 3.94Å; V120-L131 PolarHBondContact N-O 3.39Å; V120-L131 PolarHBondContact O-N 3.46Å |
| 121 | E | 82.9 | Confident | 78.3 | Confident | 147 Ų | 147 | 74.3 Ų | 74.3 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.6 | 171.9 | -61.9 | -172.1 | 169.7 | 0 | 0 | 109.2 | L129 R130 | E121-L129 WeakPolarHBondContact CA-O 3.46Å; E121-R130 HydrophobicContact CG-CG 4.41Å |
| 122 | I | 80.1 | Confident | 79.6 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 20% | 0.195 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.1 | 177.4 | -55.2 | 177.7 | 0 | 0 | 0 | 107.2 | F92 V120 L129 L131 | F92-I122 HydrophobicContact CB-CD1 3.86Å; F92-I122 HydrophobicContact CD1-CD1 3.46Å; F92-I122 VanDerWaalsContact CD1-CD1 3.46Å; F92-I122 HydrophobicContact CE1-CD1 4.32Å; F92-I122 HydrophobicContact CG-CD1 3.93Å; V120-I122 HydrophobicContact CG1-CG1 3.94Å; I122-L129 PolarHBondContact N-O 3.35Å; I122-L129 PolarHBondContact O-N 2.84Å; I122-L131 HydrophobicContact CD1-CB 4.42Å; I122-L131 HydrophobicContact CD1-CD2 4.07Å |
| 123 | E | 77.7 | Confident | 80.8 | Confident | 127 Ų | 127 | 67.5 Ų | 67.5 | 59% | 0.593 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.5 | 174.2 | -170.3 | 172.3 | 159.7 | 0 | 0 | 109.5 | V127 K128 | E123-V127 WeakPolarHBondContact CA-O 3.43Å; E123-K128 HydrophobicContact CG-CG 4.17Å; E123-K128 WeakPolarHBondContact OE2-CE 3.48Å |
| 124 | E | 68.1 | Low | 81.5 | Confident | 99 Ų | 99 | 67 Ų | 67 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 121.7 | 177 | -172 | 161 | -164.1 | 0 | 0 | 110.3 | G126 V127 | E124-G126 PolarHBondContact O-N 3.47Å; E124-V127 PolarHBondContact N-O 3.09Å; E124-V127 WeakPolarHBondContact O-CB 3.14Å; E124-V127 PolarHBondContact O-N 3.32Å |
| 125 | R | 69.3 | Low | 82.1 | Confident | 244 Ų | 244 | 62.5 Ų | 62.5 | 92% | 0.921 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 33.1 | 178.8 | -58.2 | -179.3 | -177.4 | -174.5 | 0.7 | 114.4 | ||
| 126 | G | 69.6 | Low | 82.1 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V66 E124 | V66-G126 WeakPolarHBondContact CG1-O 3.34Å; E124-G126 PolarHBondContact O-N 3.47Å |
| 127 | V | 78.1 | Confident | 81.9 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 30% | 0.297 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.2 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 109 | V66 F70 E123 E124 | V66-V127 HydrophobicContact CG2-CG2 4.44Å; F70-V127 HydrophobicContact CD2-CG1 3.56Å; F70-V127 HydrophobicContact CE2-CG1 3.57Å; E123-V127 WeakPolarHBondContact CA-O 3.43Å; E124-V127 PolarHBondContact N-O 3.09Å; E124-V127 WeakPolarHBondContact O-CB 3.14Å; E124-V127 PolarHBondContact O-N 3.32Å |
| 128 | K | 81.5 | Confident | 81.2 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.9 | 175.2 | -63.4 | -173.3 | 177 | -166.7 | 0 | 110.3 | G69 F70 E123 | G69-K128 CarbonylContact C-O 3.59Å; G69-K128 WeakPolarHBondContact CA-O 3.48Å; F70-K128 PolarHBondContact N-O 3.49Å; E123-K128 HydrophobicContact CG-CG 4.17Å; E123-K128 WeakPolarHBondContact OE2-CE 3.48Å |
| 129 | L | 83.4 | Confident | 80.9 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.8 | 173.6 | 175 | 71.8 | 0 | 0 | 0 | 108.6 | F70 F72 E121 I122 M318 | F70-L129 HydrophobicContact CB-CD1 3.75Å; F70-L129 CarbonylContact O-C 3.54Å; F70-L129 WeakPolarHBondContact O-CA 3.25Å; F72-L129 HydrophobicContact CB-CD1 3.99Å; E121-L129 WeakPolarHBondContact CA-O 3.46Å; I122-L129 PolarHBondContact N-O 3.35Å; I122-L129 PolarHBondContact O-N 2.84Å; L129-M318 HydrophobicContact CD1-CE 4.03Å; L129-M318 HydrophobicContact CD2-CE 3.88Å; L129-M318 HydrophobicContact CD2-SD 4.15Å |
| 130 | R | 87.4 | Confident | 80.3 | Confident | 77 Ų | 77 | 50.1 Ų | 50.1 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 102.7 | 166.8 | -170.3 | 169.9 | 76.9 | -144.8 | 6.6 | 108.6 | F70 E71 F72 T119 E121 | F70-R130 PolarHBondContact O-N 3.07Å; E71-R130 CarbonylContact C-O 3.54Å; E71-R130 WeakPolarHBondContact CA-O 3.36Å; E71-R130 VanDerWaalsContact CD-CZ 3.48Å; E71-R130 HydrophobicContact CG-CB 4.43Å; E71-R130 IonicContact OE1-CZ 3.38Å; E71-R130 IonicContact OE1-NH1 2.69Å; E71-R130 PolarHBondContact OE1-NH1 2.52Å; E71-R130 IonicContact OE1-NH2 2.82Å; E71-R130 PolarHBondContact OE1-NH2 3.07Å; E71-R130 IonicContact OE2-CZ 2.87Å; E71-R130 IonicContact OE2-NH2 2.75Å; E71-R130 PolarHBondContact OE2-NH2 2.88Å; F72-R130 PolarHBondContact N-O 3.24Å; T119-R130 HydrophobicContact CG2-CG 3.4Å; T119-R130 VanDerWaalsContact CG2-CG 3.4Å; E121-R130 HydrophobicContact CG-CG 4.41Å |
| 131 | L | 86.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.9 | 177.8 | 177.4 | 79.4 | 0 | 0 | 0 | 109.7 | F72 L74 F92 T119 V120 I122 V133 | F72-L131 HydrophobicContact CB-CD1 4.36Å; F72-L131 HydrophobicContact CD1-CD1 3.78Å; F72-L131 CarbonylContact O-C 3.16Å; F72-L131 WeakPolarHBondContact O-CA 3.32Å; L74-L131 HydrophobicContact CB-CD1 4.47Å; F92-L131 HydrophobicContact CD1-CD2 3.54Å; F92-L131 HydrophobicContact CD2-CD2 3.53Å; F92-L131 HydrophobicContact CE1-CD1 4.07Å; F92-L131 HydrophobicContact CE1-CD2 3.36Å; F92-L131 HydrophobicContact CE1-CG 4.32Å; F92-L131 HydrophobicContact CE2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD2 3.38Å; F92-L131 HydrophobicContact CG-CD2 3.6Å; F92-L131 HydrophobicContact CZ-CD1 3.79Å; F92-L131 HydrophobicContact CZ-CD2 3.26Å; F92-L131 HydrophobicContact CZ-CG 4.16Å; T119-L131 CarbonylContact C-O 3.6Å; T119-L131 WeakPolarHBondContact CA-O 3.32Å; V120-L131 PolarHBondContact N-O 3.39Å; V120-L131 PolarHBondContact O-N 3.46Å; I122-L131 HydrophobicContact CD1-CB 4.42Å; I122-L131 HydrophobicContact CD1-CD2 4.07Å; L131-V133 HydrophobicContact CD2-CG2 3.73Å; L131-V133 HydrophobicContact CG-CG2 4.01Å |
| 132 | T | 89.3 | Confident | 79.4 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.5 | 168.8 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | F72 T73 L74 A117 S118 T119 V134 | F72-T132 PolarHBondContact O-N 2.73Å; T73-T132 CarbonylContact C-O 3.55Å; T73-T132 VanDerWaalsContact CA-O 3.24Å; T73-T132 WeakPolarHBondContact CA-O 3.46Å; T73-T132 HydrophobicContact CG2-CG2 4.19Å; L74-T132 PolarHBondContact N-O 2.85Å; A117-T132 HydrophobicContact CB-CG2 4.19Å; S118-T132 CarbonylContact O-C 3.51Å; S118-T132 WeakPolarHBondContact O-CA 3.31Å; T119-T132 PolarHBondContact OG1-OG1 3.33Å; T119-T132 VanDerWaalsContact OG1-OG1 3.08Å; T132-V134 HydrophobicContact CG2-CG2 4.23Å |
| 133 | V | 89 | Confident | 78.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.2 | 172.5 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | L74 V76 I88 F92 L96 A117 S118 L131 | L74-V133 CarbonylContact O-C 3.55Å; L74-V133 WeakPolarHBondContact O-CA 3.42Å; V76-V133 HydrophobicContact CG2-CG1 4.17Å; I88-V133 HydrophobicContact CG1-CG1 4.47Å; I88-V133 HydrophobicContact CG2-CG1 4.14Å; I88-V133 HydrophobicContact CG2-CG2 4.03Å; F92-V133 HydrophobicContact CE2-CG2 4.37Å; L96-V133 HydrophobicContact CD1-CB 4.26Å; L96-V133 HydrophobicContact CD1-CG2 3.93Å; A117-V133 WeakPolarHBondContact CA-O 3.48Å; S118-V133 PolarHBondContact N-O 2.89Å; S118-V133 PolarHBondContact O-N 3.48Å; L131-V133 HydrophobicContact CD2-CG2 3.73Å; L131-V133 HydrophobicContact CG-CG2 4.01Å |
| 134 | V | 89.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 105.8 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | T73 L74 M75 V76 I115 E116 A117 T132 Y155 | T73-V134 HydrophobicContact CG2-CG2 3.71Å; L74-V134 PolarHBondContact O-N 3.44Å; M75-V134 WeakPolarHBondContact CA-O 3.44Å; M75-V134 HydrophobicContact CB-CB 4.32Å; M75-V134 HydrophobicContact CE-CG1 4.44Å; M75-V134 HydrophobicContact CG-CB 4.26Å; M75-V134 HydrophobicContact CG-CG1 4.32Å; V76-V134 PolarHBondContact N-O 3.4Å; I115-V134 HydrophobicContact CG2-CG1 3.38Å; E116-V134 WeakPolarHBondContact O-CA 3.45Å; A117-V134 HydrophobicContact CB-CG2 4.26Å; T132-V134 HydrophobicContact CG2-CG2 4.23Å; V134-Y155 HydrophobicContact CG1-CD1 4.43Å; V134-Y155 HydrophobicContact CG1-CE1 3.74Å; V134-Y155 HydrophobicContact CG2-CE1 4.16Å |
| 135 | D | 87.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 150.9 | 173.2 | -163.4 | 13.9 | 0 | 0 | 0 | 110.6 | R100 E116 P137 | R100-D135 IonicContact CZ-OD2 3.46Å; R100-D135 IonicContact NH1-OD2 3.37Å; R100-D135 PolarHBondContact NH1-OD2 3.39Å; R100-D135 IonicContact NH2-OD2 3.32Å; R100-D135 PolarHBondContact NH2-OD2 3.07Å; E116-D135 PolarHBondContact N-O 3.41Å; E116-D135 PolarHBondContact O-N 2.79Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å |
| 136 | T | 83.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -120.5 | 68.8 | 177.6 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | M75 V76 V77 Q114 I115 G138 Y139 I152 | M75-T136 HydrophobicContact CE-CG2 3.31Å; V76-T136 PolarHBondContact O-OG1 2.98Å; V77-T136 HydrophobicContact CG2-CG2 4.37Å; Q114-T136 WeakPolarHBondContact O-CA 3.45Å; I115-T136 HydrophobicContact CG1-CG2 4.38Å; T136-G138 PolarHBondContact O-N 2.77Å; T136-Y139 PolarHBondContact O-N 3.11Å; T136-I152 HydrophobicContact CG2-CD1 3.97Å; T136-I152 HydrophobicContact CG2-CG1 3.86Å | ||
| 137 | P | 78.3 | Confident | 78.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 139.8 | 173.3 | 24.2 | -35.4 | 0 | 0 | 0 | 111.5 | V113 Q114 E116 D135 | V113-P137 WeakPolarHBondContact CA-O 3.36Å; Q114-P137 HydrophobicContact CB-CG 4.29Å; Q114-P137 PolarHBondContact N-O 3.03Å; Q114-P137 VanDerWaalsContact N-O 3.16Å; Q114-P137 WeakPolarHBondContact O-CD 3.31Å; E116-P137 HydrophobicContact CG-CG 4.33Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å |
| 138 | G | 70.4 | Confident | 78.3 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -2.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | T136 G140 D141 | T136-G138 PolarHBondContact O-N 2.77Å; G138-G140 PolarHBondContact O-N 3.02Å; G138-D141 PolarHBondContact O-N 2.69Å |
| 139 | Y | 78.1 | Confident | 78.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 120.8 | 172.1 | -175.2 | -90.3 | 0 | 0 | 0 | 111 | V77 T136 D141 C148 I152 Y185 F201 | V77-Y139 HydrophobicContact CG1-CD1 3.96Å; V77-Y139 HydrophobicContact CG1-CD2 3.94Å; V77-Y139 HydrophobicContact CG1-CE1 4.02Å; V77-Y139 HydrophobicContact CG1-CE2 4.01Å; V77-Y139 HydrophobicContact CG1-CG 3.91Å; T136-Y139 PolarHBondContact O-N 3.11Å; Y139-D141 VanDerWaalsContact C-N 3.32Å; Y139-C148 HydrophobicContact CD2-CB 4.26Å; Y139-C148 HydrophobicContact CE2-CB 4.46Å; Y139-I152 HydrophobicContact CD2-CD1 3.67Å; Y139-I152 HydrophobicContact CE2-CD1 4.06Å; Y139-Y185 HydrophobicContact CE1-CE2 4.37Å; Y139-Y185 PolarHBondContact OH-OH 2.93Å; Y139-F201 AromaticContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CE2 4.07Å; Y139-F201 HydrophobicContact CE2-CG 4.29Å; Y139-F201 WeakPolarHBondContact OH-CB 3.49Å; Y139-F201 VanDerWaalsContact OH-CG 3.25Å; Y139-F201 WeakPolarHBondContact OH-CG 3.35Å |
| 140 | G | 71.6 | Confident | 78.2 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 6.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G138 | G138-G140 PolarHBondContact O-N 3.02Š|
| 141 | D | 74.3 | Confident | 78.2 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -32 | 179.5 | -77.9 | -20.8 | 0 | 0 | 0 | 113 | S80 K108 G138 Y139 | S80-D141 VanDerWaalsContact CB-CG 3.49Å; S80-D141 WeakPolarHBondContact CB-OD1 3.46Å; S80-D141 WeakPolarHBondContact CB-OD2 3.46Å; S80-D141 PolarHBondContact OG-OD2 3.39Å; K108-D141 HydrophobicContact CB-CB 4.5Å; K108-D141 CarbonylContact O-C 3.58Å; G138-D141 PolarHBondContact O-N 2.69Å; Y139-D141 VanDerWaalsContact C-N 3.32Å |
| 142 | A | 73.1 | Confident | 78.3 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -76.3 | 145.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N144 C145 | A142-N144 PolarHBondContact O-N 3.43Å; A142-C145 PolarHBondContact O-SG 3.44Å |
| 143 | I | 70.8 | Confident | 78.3 | Confident | 148 Ų | 148 | 43.3 Ų | 43.3 | 76% | 0.759 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -61.7 | -33.2 | 175 | -61.1 | 179.1 | 0 | 0 | 0 | 110.9 | I109 | I109-I143 HydrophobicContact CG2-CD1 3.85Å; I109-I143 HydrophobicContact CG2-CG1 4.34Å |
| 144 | N | 69.6 | Low | 78.4 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | trans | -108 | 94.2 | 176.5 | -167.4 | 3.9 | 0 | 0 | 0 | 111.2 | A142 R146 | A142-N144 PolarHBondContact O-N 3.43Å; N144-R146 VanDerWaalsContact C-N 3.32Å; N144-R146 PolarHBondContact O-N 2.85Å; N144-R146 WeakPolarHBondContact OD1-CG 2.85Å | ||
| 145 | C | 64.8 | Low | 78.4 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | trans | -86.9 | 12.7 | -177.6 | -73.3 | 0 | 0 | 0 | 0 | 115 | A142 D147 C148 L197 | A142-C145 PolarHBondContact O-SG 3.44Å; C145-D147 VanDerWaalsContact C-N 3.31Å; C145-D147 PolarHBondContact O-N 2.66Å; C145-C148 PolarHBondContact O-N 2.83Å; C145-L197 HydrophobicContact CB-CD1 3.86Å; C145-L197 HydrophobicContact CB-CD2 4.23Å | ||
| 146 | R | 71.1 | Confident | 78.6 | Confident | 190 Ų | 190 | 48.7 Ų | 48.7 | 72% | 0.717 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -28.9 | -173.8 | -72.1 | -179.5 | -177.9 | 179 | 2.2 | 114.3 | N144 F149 | N144-R146 VanDerWaalsContact C-N 3.32Å; N144-R146 PolarHBondContact O-N 2.85Å; N144-R146 WeakPolarHBondContact OD1-CG 2.85Å; R146-F149 WeakPolarHBondContact O-CE1 3.04Å; R146-F149 WeakPolarHBondContact O-CZ 3.31Å |
| 147 | D | 71.3 | Confident | 78.9 | Confident | 88 Ų | 88 | 50.5 Ų | 50.5 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -4.7 | -176.9 | -63.4 | -50.1 | 0 | 0 | 0 | 113.2 | C145 F149 K150 | C145-D147 VanDerWaalsContact C-N 3.31Å; C145-D147 PolarHBondContact O-N 2.66Å; D147-F149 VanDerWaalsContact C-N 3.3Å; D147-F149 PolarHBondContact O-N 2.9Å; D147-K150 HydrophobicContact CB-CD 4.5Å; D147-K150 WeakPolarHBondContact O-CB 3.04Å; D147-K150 PolarHBondContact O-N 3.2Å; D147-K150 VanDerWaalsContact O-N 3.1Å; D147-K150 WeakPolarHBondContact OD1-CD 3.38Å; D147-K150 WeakPolarHBondContact OD1-CE 3.44Å; D147-K150 IonicContact OD1-NZ 2.83Å; D147-K150 PolarHBondContact OD1-NZ 3.13Å |
| 148 | C | 73 | Confident | 79.5 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | -177.4 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | V113 Y139 C145 | V113-C148 HydrophobicContact CG2-CB 3.64Å; Y139-C148 HydrophobicContact CD2-CB 4.26Å; Y139-C148 HydrophobicContact CE2-CB 4.46Å; C145-C148 PolarHBondContact O-N 2.83Å |
| 149 | F | 79.1 | Confident | 80.5 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -78.7 | -19.8 | -179.6 | 58.5 | -97.9 | 0 | 0 | 0 | 113.1 | R146 D147 I152 I153 F201 | R146-F149 WeakPolarHBondContact O-CE1 3.04Å; R146-F149 WeakPolarHBondContact O-CZ 3.31Å; D147-F149 VanDerWaalsContact C-N 3.3Å; D147-F149 PolarHBondContact O-N 2.9Å; F149-I152 PolarHBondContact O-N 3.03Å; F149-I153 HydrophobicContact CD2-CD1 3.93Å; F149-I153 WeakPolarHBondContact O-CB 3.44Å; F149-I153 WeakPolarHBondContact O-CD1 3.47Å; F149-I153 WeakPolarHBondContact O-CG1 3.48Å; F149-I153 PolarHBondContact O-N 2.83Å; F149-F201 HydrophobicContact CB-CD2 3.63Å; F149-F201 HydrophobicContact CB-CE2 4.12Å |
| 150 | K | 85.1 | Confident | 81 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 176.4 | -69.1 | 179.9 | -177.6 | 163 | 0 | 111.3 | D147 I152 I153 S154 | D147-K150 HydrophobicContact CB-CD 4.5Å; D147-K150 WeakPolarHBondContact O-CB 3.04Å; D147-K150 PolarHBondContact O-N 3.2Å; D147-K150 VanDerWaalsContact O-N 3.1Å; D147-K150 WeakPolarHBondContact OD1-CD 3.38Å; D147-K150 WeakPolarHBondContact OD1-CE 3.44Å; D147-K150 IonicContact OD1-NZ 2.83Å; D147-K150 PolarHBondContact OD1-NZ 3.13Å; K150-I152 VanDerWaalsContact C-N 3.26Å; K150-I152 PolarHBondContact O-N 2.85Å; K150-I153 PolarHBondContact O-N 3.11Å; K150-S154 WeakPolarHBondContact O-CB 3.18Å; K150-S154 PolarHBondContact O-N 2.91Å; K150-S154 PolarHBondContact O-OG 2.82Å; K150-S154 VanDerWaalsContact O-OG 3.08Å |
| 151 | T | 86.8 | Confident | 81.8 | Confident | 63 Ų | 63 | 57 Ų | 57 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 177.8 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | I115 Y155 | I115-T151 HydrophobicContact CD1-CG2 4.07Å; I115-T151 HydrophobicContact CG1-CG2 4.41Å; T151-Y155 WeakPolarHBondContact O-CB 3.39Å; T151-Y155 PolarHBondContact O-N 3.27Å |
| 152 | I | 88.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 177.4 | -68.5 | 171.3 | 0 | 0 | 0 | 111.2 | M75 V77 V113 T136 Y139 F149 K150 S154 Y155 I156 F201 | M75-I152 HydrophobicContact CE-CB 4.15Å; M75-I152 HydrophobicContact CE-CG1 3.98Å; M75-I152 HydrophobicContact CE-CG2 3.45Å; M75-I152 VanDerWaalsContact CE-CG2 3.45Å; M75-I152 HydrophobicContact SD-CG2 4.16Å; V77-I152 HydrophobicContact CG1-CD1 4.05Å; V77-I152 HydrophobicContact CG2-CD1 4.37Å; V113-I152 HydrophobicContact CG1-CG1 4.35Å; T136-I152 HydrophobicContact CG2-CD1 3.97Å; T136-I152 HydrophobicContact CG2-CG1 3.86Å; Y139-I152 HydrophobicContact CD2-CD1 3.67Å; Y139-I152 HydrophobicContact CE2-CD1 4.06Å; F149-I152 PolarHBondContact O-N 3.03Å; K150-I152 VanDerWaalsContact C-N 3.26Å; K150-I152 PolarHBondContact O-N 2.85Å; I152-S154 PolarHBondContact O-N 3.3Å; I152-Y155 PolarHBondContact O-N 3.08Å; I152-I156 HydrophobicContact CG2-CD1 4.07Å; I152-I156 WeakPolarHBondContact O-CG1 3.3Å; I152-I156 PolarHBondContact O-N 3.06Å; I152-I156 VanDerWaalsContact O-N 3.08Å; I152-F201 HydrophobicContact CB-CE2 4.22Å; I152-F201 HydrophobicContact CD1-CE2 3.65Å; I152-F201 HydrophobicContact CD1-CZ 4.05Å; I152-F201 HydrophobicContact CG2-CE2 3.85Å; I152-F201 HydrophobicContact CG2-CZ 3.91Å |
| 153 | I | 89.4 | Confident | 83.2 | Confident | 30 Ų | 30 | 62 Ų | 62 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 179.2 | -67 | 161.9 | 0 | 0 | 0 | 110.7 | F149 K150 Y155 I156 D157 A204 I205 K208 | F149-I153 HydrophobicContact CD2-CD1 3.93Å; F149-I153 WeakPolarHBondContact O-CB 3.44Å; F149-I153 WeakPolarHBondContact O-CD1 3.47Å; F149-I153 WeakPolarHBondContact O-CG1 3.48Å; F149-I153 PolarHBondContact O-N 2.83Å; K150-I153 PolarHBondContact O-N 3.11Å; I153-Y155 VanDerWaalsContact C-N 3.28Å; I153-Y155 PolarHBondContact O-N 3.11Å; I153-I156 PolarHBondContact O-N 3.08Å; I153-D157 WeakPolarHBondContact O-CB 3.23Å; I153-D157 PolarHBondContact O-N 3.42Å; I153-A204 HydrophobicContact CD1-CB 3.7Å; I153-I205 HydrophobicContact CG1-CG2 4.01Å; I153-K208 HydrophobicContact CG2-CD 4.13Å |
| 154 | S | 89.9 | Confident | 83.9 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 177 | -67.4 | 0 | 0 | 0 | 0 | 112 | K150 I152 D157 E158 | K150-S154 WeakPolarHBondContact O-CB 3.18Å; K150-S154 PolarHBondContact O-N 2.91Å; K150-S154 PolarHBondContact O-OG 2.82Å; K150-S154 VanDerWaalsContact O-OG 3.08Å; I152-S154 PolarHBondContact O-N 3.3Å; S154-D157 PolarHBondContact O-N 3.42Å; S154-E158 VanDerWaalsContact O-CB 3.27Å; S154-E158 WeakPolarHBondContact O-CB 3.28Å; S154-E158 PolarHBondContact O-N 2.76Å |
| 155 | Y | 90.5 | Very high | 84.7 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.4 | 177.3 | -94.7 | 0 | 0 | 0 | 112.7 | I115 V134 T151 I152 I153 E158 Q159 V180 | I115-Y155 HydrophobicContact CB-CD2 4.47Å; I115-Y155 HydrophobicContact CD1-CD1 4.26Å; I115-Y155 HydrophobicContact CD1-CD2 3.85Å; I115-Y155 HydrophobicContact CD1-CG 3.53Å; I115-Y155 HydrophobicContact CG2-CD1 4.31Å; I115-Y155 HydrophobicContact CG2-CD2 3.89Å; I115-Y155 HydrophobicContact CG2-CE1 4.27Å; I115-Y155 HydrophobicContact CG2-CE2 3.81Å; I115-Y155 HydrophobicContact CG2-CG 4.13Å; V134-Y155 HydrophobicContact CG1-CD1 4.43Å; V134-Y155 HydrophobicContact CG1-CE1 3.74Å; V134-Y155 HydrophobicContact CG2-CE1 4.16Å; T151-Y155 WeakPolarHBondContact O-CB 3.39Å; T151-Y155 PolarHBondContact O-N 3.27Å; I152-Y155 PolarHBondContact O-N 3.08Å; I153-Y155 VanDerWaalsContact C-N 3.28Å; I153-Y155 PolarHBondContact O-N 3.11Å; Y155-E158 PolarHBondContact O-N 2.89Å; Y155-Q159 HydrophobicContact CD1-CG 4.31Å; Y155-Q159 HydrophobicContact CE1-CG 3.94Å; Y155-Q159 VanDerWaalsContact O-CG 3.29Å; Y155-Q159 WeakPolarHBondContact O-CG 3.47Å; Y155-Q159 PolarHBondContact O-N 2.9Å; Y155-Q159 PolarHBondContact O-NE2 3.31Å; Y155-V180 HydrophobicContact CE1-CG2 4.24Å |
| 156 | I | 91.2 | Very high | 85.6 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.8 | -65.3 | 167.1 | 0 | 0 | 0 | 110.1 | M75 I152 I153 E158 Q159 F160 V180 I205 K208 V209 | M75-I156 HydrophobicContact SD-CD1 4.2Å; M75-I156 HydrophobicContact SD-CG1 4.27Å; I152-I156 HydrophobicContact CG2-CD1 4.07Å; I152-I156 WeakPolarHBondContact O-CG1 3.3Å; I152-I156 PolarHBondContact O-N 3.06Å; I152-I156 VanDerWaalsContact O-N 3.08Å; I153-I156 PolarHBondContact O-N 3.08Å; I156-E158 VanDerWaalsContact C-N 3.32Å; I156-E158 PolarHBondContact O-N 3.46Å; I156-Q159 PolarHBondContact O-N 2.87Å; I156-F160 HydrophobicContact CG2-CD2 3.93Å; I156-F160 HydrophobicContact CG2-CE2 3.43Å; I156-F160 VanDerWaalsContact CG2-CE2 3.43Å; I156-F160 HydrophobicContact CG2-CZ 4.08Å; I156-F160 WeakPolarHBondContact O-CD2 3.38Å; I156-F160 PolarHBondContact O-N 3.11Å; I156-V180 HydrophobicContact CG1-CG2 4.34Å; I156-I205 HydrophobicContact CD1-CG2 4.48Å; I156-K208 HydrophobicContact CG2-CB 4.14Å; I156-V209 HydrophobicContact CD1-CG1 4.41Å |
| 157 | D | 90.8 | Very high | 86.1 | Confident | 38 Ų | 38 | 53 Ų | 53 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.3 | -72.5 | -21 | 0 | 0 | 0 | 112.2 | I153 S154 F160 E161 K208 F333 | I153-D157 WeakPolarHBondContact O-CB 3.23Å; I153-D157 PolarHBondContact O-N 3.42Å; S154-D157 PolarHBondContact O-N 3.42Å; D157-F160 PolarHBondContact O-N 3.01Å; D157-E161 WeakPolarHBondContact O-CB 3.4Å; D157-E161 PolarHBondContact O-N 2.73Å; D157-K208 IonicContact OD1-NZ 2.99Å; D157-K208 PolarHBondContact OD1-NZ 3.33Å; D157-K208 IonicContact OD2-NZ 3.35Å; D157-K208 PolarHBondContact OD2-NZ 2.94Å; D157-F333 HydrophobicContact CB-CE2 4.2Å |
| 158 | E | 91.1 | Very high | 86.6 | Confident | 92 Ų | 92 | 52.6 Ų | 52.6 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 174.2 | -170.9 | -177.7 | 173 | 0 | 0 | 111.6 | S154 Y155 I156 F160 E161 R162 | S154-E158 VanDerWaalsContact O-CB 3.27Å; S154-E158 WeakPolarHBondContact O-CB 3.28Å; S154-E158 PolarHBondContact O-N 2.76Å; Y155-E158 PolarHBondContact O-N 2.89Å; I156-E158 VanDerWaalsContact C-N 3.32Å; I156-E158 PolarHBondContact O-N 3.46Å; E158-F160 VanDerWaalsContact C-N 3.34Å; E158-E161 PolarHBondContact O-N 3.29Å; E158-R162 WeakPolarHBondContact O-CB 3.3Å; E158-R162 VanDerWaalsContact O-CG 3.28Å; E158-R162 WeakPolarHBondContact O-CG 3.34Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.23Å; E158-R162 IonicContact OE1-NE 3.67Å; E158-R162 PolarHBondContact OE1-NE 3.42Å; E158-R162 IonicContact OE1-NH2 3.16Å; E158-R162 PolarHBondContact OE1-NH2 3.5Å |
| 159 | Q | 90.3 | Very high | 86.8 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.1 | -59.4 | -31.9 | -65 | 0 | 0 | 111.5 | Y155 I156 Y163 N178 | Y155-Q159 HydrophobicContact CD1-CG 4.31Å; Y155-Q159 HydrophobicContact CE1-CG 3.94Å; Y155-Q159 VanDerWaalsContact O-CG 3.29Å; Y155-Q159 WeakPolarHBondContact O-CG 3.47Å; Y155-Q159 PolarHBondContact O-N 2.9Å; Y155-Q159 PolarHBondContact O-NE2 3.31Å; I156-Q159 PolarHBondContact O-N 2.87Å; Q159-Y163 PolarHBondContact O-N 2.94Å; Q159-Y163 VanDerWaalsContact O-N 3.11Å; Q159-N178 WeakPolarHBondContact CG-O 3.45Å |
| 160 | F | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 174.4 | -68.8 | -42.2 | 0 | 0 | 0 | 112.8 | I156 D157 E158 Y163 L164 R179 K208 T325 H329 Y330 F333 | I156-F160 HydrophobicContact CG2-CD2 3.93Å; I156-F160 HydrophobicContact CG2-CE2 3.43Å; I156-F160 VanDerWaalsContact CG2-CE2 3.43Å; I156-F160 HydrophobicContact CG2-CZ 4.08Å; I156-F160 WeakPolarHBondContact O-CD2 3.38Å; I156-F160 PolarHBondContact O-N 3.11Å; D157-F160 PolarHBondContact O-N 3.01Å; E158-F160 VanDerWaalsContact C-N 3.34Å; F160-Y163 PolarHBondContact O-N 3.08Å; F160-L164 WeakPolarHBondContact O-CB 3.4Å; F160-L164 PolarHBondContact O-N 3.41Å; F160-R179 HydrophobicContact CD1-CB 4.34Å; F160-R179 HydrophobicContact CD1-CG 3.8Å; F160-R179 HydrophobicContact CE1-CB 4.08Å; F160-R179 HydrophobicContact CE1-CG 4Å; F160-K208 HydrophobicContact CE2-CB 4.32Å; F160-K208 VanDerWaalsContact CZ-O 3.28Å; F160-K208 WeakPolarHBondContact CZ-O 3.02Å; F160-T325 HydrophobicContact CE1-CG2 4.29Å; F160-H329 HydrophobicContact CZ-CB 4.33Å; F160-Y330 AromaticContact CD1-CD2 3.92Å; F160-Y330 HydrophobicContact CD1-CD2 3.92Å; F160-F333 HydrophobicContact CB-CD1 3.62Å; F160-F333 HydrophobicContact CB-CD2 4.43Å; F160-F333 HydrophobicContact CB-CE1 3.62Å; F160-F333 HydrophobicContact CB-CE2 4.42Å; F160-F333 HydrophobicContact CB-CG 4.04Å; F160-F333 HydrophobicContact CB-CZ 4.03Å; F160-F333 HydrophobicContact CD2-CB 4.4Å; F160-F333 HydrophobicContact CD2-CD2 4.21Å; F160-F333 HydrophobicContact CD2-CG 4.15Å; F160-F333 HydrophobicContact CG-CD1 4.33Å; F160-F333 HydrophobicContact CG-CG 4.34Å |
| 161 | E | 88.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 178 | -168.2 | 80.4 | -174.8 | 0 | 0 | 111.3 | D157 E158 Y163 L164 H165 R337 | D157-E161 WeakPolarHBondContact O-CB 3.4Å; D157-E161 PolarHBondContact O-N 2.73Å; E158-E161 PolarHBondContact O-N 3.29Å; E161-Y163 PolarHBondContact O-N 3.49Å; E161-L164 PolarHBondContact O-N 2.71Å; E161-H165 WeakPolarHBondContact O-CB 3.25Å; E161-H165 PolarHBondContact O-N 3.1Å; E161-R337 IonicContact OE1-CZ 2.75Å; E161-R337 IonicContact OE1-NE 3.81Å; E161-R337 PolarHBondContact OE1-NE 3.06Å; E161-R337 IonicContact OE1-NH2 2.75Å; E161-R337 PolarHBondContact OE1-NH2 3.34Å; E161-R337 IonicContact OE2-CZ 3.91Å; E161-R337 IonicContact OE2-NE 3.74Å; E161-R337 PolarHBondContact OE2-NE 3.27Å; E161-R337 IonicContact OE2-NH2 2.59Å |
| 162 | R | 88.3 | Confident | 85.2 | Confident | 122 Ų | 122 | 66.3 Ų | 66.3 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 173.7 | -74.5 | 174.6 | -174.9 | -164.1 | 1.6 | 111.3 | E158 L164 H165 D166 | E158-R162 WeakPolarHBondContact O-CB 3.3Å; E158-R162 VanDerWaalsContact O-CG 3.28Å; E158-R162 WeakPolarHBondContact O-CG 3.34Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.23Å; E158-R162 IonicContact OE1-NE 3.67Å; E158-R162 PolarHBondContact OE1-NE 3.42Å; E158-R162 IonicContact OE1-NH2 3.16Å; E158-R162 PolarHBondContact OE1-NH2 3.5Å; R162-L164 PolarHBondContact O-N 3.38Å; R162-H165 PolarHBondContact O-N 2.9Å; R162-D166 PolarHBondContact O-N 3.43Å |
| 163 | Y | 87.8 | Confident | 84.2 | Confident | 36 Ų | 36 | 77.2 Ų | 77.2 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.4 | -171.9 | -84.7 | 0 | 0 | 0 | 111.9 | Q159 F160 E161 H165 D166 E167 I175 R179 Y330 | Q159-Y163 PolarHBondContact O-N 2.94Å; Q159-Y163 VanDerWaalsContact O-N 3.11Å; F160-Y163 PolarHBondContact O-N 3.08Å; E161-Y163 PolarHBondContact O-N 3.49Å; Y163-H165 VanDerWaalsContact C-N 3.3Å; Y163-H165 PolarHBondContact O-N 3.34Å; Y163-D166 PolarHBondContact O-N 3.33Å; Y163-E167 WeakPolarHBondContact O-CB 3.4Å; Y163-E167 PolarHBondContact O-N 2.96Å; Y163-I175 HydrophobicContact CD2-CG2 4.01Å; Y163-I175 HydrophobicContact CE2-CG2 3.75Å; Y163-R179 HydrophobicContact CD2-CG 4.26Å; Y163-R179 HydrophobicContact CG-CG 4.22Å; Y163-Y330 HydrophobicContact CD1-CD2 4.27Å; Y163-Y330 HydrophobicContact CD1-CE1 4.03Å; Y163-Y330 AromaticContact CD1-CE2 3.57Å; Y163-Y330 HydrophobicContact CD1-CE2 3.57Å; Y163-Y330 AromaticContact CD1-CZ 3.43Å; Y163-Y330 VanDerWaalsContact CD1-CZ 3.43Å; Y163-Y330 WeakPolarHBondContact CD1-OH 3.43Å; Y163-Y330 AromaticContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE2 4.29Å; Y163-Y330 AromaticContact CE1-CZ 3.77Å; Y163-Y330 HydrophobicContact CG-CE2 4.43Å |
| 164 | L | 86.9 | Confident | 83.3 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 13% | 0.131 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.7 | -179.6 | 64.2 | 0 | 0 | 0 | 112.2 | F160 E161 R162 S168 Y330 R334 R337 | F160-L164 WeakPolarHBondContact O-CB 3.4Å; F160-L164 PolarHBondContact O-N 3.41Å; E161-L164 PolarHBondContact O-N 2.71Å; R162-L164 PolarHBondContact O-N 3.38Å; L164-S168 VanDerWaalsContact O-CB 3.3Å; L164-S168 WeakPolarHBondContact O-CB 3.34Å; L164-S168 PolarHBondContact O-N 2.84Å; L164-S168 PolarHBondContact O-OG 3.1Å; L164-Y330 WeakPolarHBondContact CA-OH 3.17Å; L164-Y330 HydrophobicContact CB-CE2 4.42Å; L164-Y330 WeakPolarHBondContact CD1-OH 3.46Å; L164-R334 HydrophobicContact CD1-CG 4.29Å; L164-R337 HydrophobicContact CD2-CG 3.98Å |
| 165 | H | 85.2 | Confident | 82.6 | Confident | 138 Ų | 138 | 83 Ų | 83 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.3 | -44.1 | 176.7 | -170.6 | 33.5 | 0 | 0 | 0 | 111.5 | E161 R162 Y163 S168 G169 | E161-H165 WeakPolarHBondContact O-CB 3.25Å; E161-H165 PolarHBondContact O-N 3.1Å; R162-H165 PolarHBondContact O-N 2.9Å; Y163-H165 VanDerWaalsContact C-N 3.3Å; Y163-H165 PolarHBondContact O-N 3.34Å; H165-S168 PolarHBondContact O-N 3.41Å; H165-G169 PolarHBondContact O-N 3.02Å |
| 166 | D | 84.4 | Confident | 81.9 | Confident | 66 Ų | 66 | 84.9 Ų | 84.9 | 35% | 0.353 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 177.5 | -72.4 | -19.2 | 0 | 0 | 0 | 112.4 | R162 Y163 G169 I175 | R162-D166 PolarHBondContact O-N 3.43Å; Y163-D166 PolarHBondContact O-N 3.33Å; D166-G169 PolarHBondContact O-N 2.81Å; D166-I175 HydrophobicContact CB-CG2 4.17Å |
| 167 | E | 81.7 | Confident | 81.4 | Confident | 46 Ų | 46 | 86.1 Ų | 86.1 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 173.5 | -170.9 | -170.4 | 157.3 | 0 | 0 | 111.5 | Y163 G169 R172 Y330 R334 | Y163-E167 WeakPolarHBondContact O-CB 3.4Å; Y163-E167 PolarHBondContact O-N 2.96Å; E167-G169 VanDerWaalsContact C-N 3.28Å; E167-G169 PolarHBondContact O-N 2.75Å; E167-R172 PolarHBondContact O-NE 3.44Å; E167-R172 VanDerWaalsContact O-NE 3.15Å; E167-Y330 WeakPolarHBondContact OE2-CE1 3.5Å; E167-Y330 PolarHBondContact OE2-OH 3.36Å; E167-R334 IonicContact OE1-CZ 3.5Å; E167-R334 VanDerWaalsContact OE1-CZ 3.29Å; E167-R334 IonicContact OE1-NH1 2.59Å; E167-R334 PolarHBondContact OE1-NH1 2.84Å; E167-R334 IonicContact OE1-NH2 2.99Å; E167-R334 PolarHBondContact OE1-NH2 3.31Å; E167-R334 IonicContact OE2-CZ 3.95Å; E167-R334 IonicContact OE2-NH1 3.26Å |
| 168 | S | 81.1 | Confident | 81.1 | Confident | 80 Ų | 80 | 86.8 Ų | 86.8 | 56% | 0.559 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -73.6 | -22 | 178.5 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | L164 H165 | L164-S168 VanDerWaalsContact O-CB 3.3Å; L164-S168 WeakPolarHBondContact O-CB 3.34Å; L164-S168 PolarHBondContact O-N 2.84Å; L164-S168 PolarHBondContact O-OG 3.1Å; H165-S168 PolarHBondContact O-N 3.41Å |
| 169 | G | 78.2 | Confident | 81.1 | Confident | 26 Ų | 26 | 82.6 Ų | 82.6 | 27% | 0.268 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -66.2 | 169.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H165 D166 E167 N171 | H165-G169 PolarHBondContact O-N 3.02Å; D166-G169 PolarHBondContact O-N 2.81Å; E167-G169 VanDerWaalsContact C-N 3.28Å; E167-G169 PolarHBondContact O-N 2.75Å; G169-N171 VanDerWaalsContact C-N 3.35Å |
| 170 | L | 75.7 | Confident | 81.2 | Confident | 184 Ų | 184 | 82.4 Ų | 82.4 | 96% | 0.963 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -75.5 | -23.6 | -179.2 | -64.9 | 167.8 | 0 | 0 | 0 | 112.6 | R172 | L170-R172 PolarHBondContact O-N 3.02Š|
| 171 | N | 69.5 | Low | 81.3 | Confident | 149 Ų | 149 | 82.3 Ų | 82.3 | 80% | 0.797 | 39% | 0.394 | S | S | * | . | trans | -102.5 | 58 | -169.3 | -119.3 | 16.3 | 0 | 0 | 0 | 113.5 | G169 R173 | G169-N171 VanDerWaalsContact C-N 3.35Å; N171-R173 PolarHBondContact O-N 2.93Å | ||
| 172 | R | 70.7 | Confident | 81.4 | Confident | 169 Ų | 169 | 79 Ų | 79 | 64% | 0.638 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -2.4 | -173.2 | -59 | -178.5 | -178 | 170.7 | 1.7 | 116.6 | E167 L170 | E167-R172 PolarHBondContact O-NE 3.44Å; E167-R172 VanDerWaalsContact O-NE 3.15Å; L170-R172 PolarHBondContact O-N 3.02Å |
| 173 | R | 68.6 | Low | 81.7 | Confident | 229 Ų | 229 | 73.2 Ų | 73.2 | 86% | 0.864 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -24.9 | -170.8 | -67 | -173.2 | 179.9 | -163.1 | 0.6 | 114.1 | N171 | N171-R173 PolarHBondContact O-N 2.93Š|
| 174 | H | 68.6 | Low | 81.9 | Confident | 177 Ų | 177 | 71.5 Ų | 71.5 | 82% | 0.819 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -131.9 | 57.8 | -176.3 | -67.5 | -74.2 | 0 | 0 | 0 | 110.8 | ||
| 175 | I | 75.8 | Confident | 82.2 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | trans | -76.3 | 125.9 | 172.9 | -55 | 172.3 | 0 | 0 | 0 | 107.7 | Y163 D166 | Y163-I175 HydrophobicContact CD2-CG2 4.01Å; Y163-I175 HydrophobicContact CE2-CG2 3.75Å; D166-I175 HydrophobicContact CB-CG2 4.17Å | ||
| 176 | I | 75.4 | Confident | 82.6 | Confident | 81 Ų | 81 | 63.9 Ų | 63.9 | 42% | 0.415 | 31% | 0.314 | S | S | . | . | trans | -91.5 | 127.9 | 171.9 | 36.6 | 170.7 | 0 | 0 | 0 | 108.5 | N178 | I176-N178 PolarHBondContact O-N 2.98Š| ||
| 177 | D | 82.3 | Confident | 82.9 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | trans | -92.6 | 103.5 | -176.9 | -163.4 | -7.8 | 0 | 0 | 0 | 110.4 | E71 R179 H181 | E71-D177 PolarHBondContact OE2-N 2.86Å; D177-R179 VanDerWaalsContact OD1-CB 3.23Å; D177-R179 WeakPolarHBondContact OD1-CB 3.35Å; D177-R179 VanDerWaalsContact OD1-CG 3.22Å; D177-R179 WeakPolarHBondContact OD1-CG 3.29Å; D177-R179 IonicContact OD1-CZ 2.81Å; D177-R179 PolarHBondContact OD1-N 3.43Å; D177-R179 IonicContact OD1-NE 3.29Å; D177-R179 PolarHBondContact OD1-NE 2.82Å; D177-R179 IonicContact OD1-NH2 4Å; D177-R179 IonicContact OD2-CZ 3.47Å; D177-R179 IonicContact OD2-NE 2.88Å; D177-R179 PolarHBondContact OD2-NE 2.82Å; D177-R179 IonicContact OD2-NH2 3.95Å; D177-R179 PolarHBondContact OD2-NH2 2.97Å; D177-H181 IonicContact OD2-NE2 3.34Å; D177-H181 PolarHBondContact OD2-NE2 2.82Å | ||
| 178 | N | 83.8 | Confident | 83.3 | Confident | 52 Ų | 52 | 59 Ų | 59 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | trans | -100.2 | 7 | 176.3 | -64.2 | -43.8 | 0 | 0 | 0 | 112.5 | Q159 I176 | Q159-N178 WeakPolarHBondContact CG-O 3.45Å; I176-N178 PolarHBondContact O-N 2.98Å | ||
| 179 | R | 90.7 | Very high | 83.6 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | trans | -65.8 | 145.8 | 179.3 | -62 | 174.9 | -66.6 | 179.6 | 4.6 | 109.7 | T73 F160 Y163 D177 H181 T325 | T73-R179 WeakPolarHBondContact CB-O 3.16Å; T73-R179 PolarHBondContact OG1-O 3.14Å; F160-R179 HydrophobicContact CD1-CB 4.34Å; F160-R179 HydrophobicContact CD1-CG 3.8Å; F160-R179 HydrophobicContact CE1-CB 4.08Å; F160-R179 HydrophobicContact CE1-CG 4Å; Y163-R179 HydrophobicContact CD2-CG 4.26Å; Y163-R179 HydrophobicContact CG-CG 4.22Å; D177-R179 VanDerWaalsContact OD1-CB 3.23Å; D177-R179 WeakPolarHBondContact OD1-CB 3.35Å; D177-R179 VanDerWaalsContact OD1-CG 3.22Å; D177-R179 WeakPolarHBondContact OD1-CG 3.29Å; D177-R179 IonicContact OD1-CZ 2.81Å; D177-R179 PolarHBondContact OD1-N 3.43Å; D177-R179 IonicContact OD1-NE 3.29Å; D177-R179 PolarHBondContact OD1-NE 2.82Å; D177-R179 IonicContact OD1-NH2 4Å; D177-R179 IonicContact OD2-CZ 3.47Å; D177-R179 IonicContact OD2-NE 2.88Å; D177-R179 PolarHBondContact OD2-NE 2.82Å; D177-R179 IonicContact OD2-NH2 3.95Å; D177-R179 PolarHBondContact OD2-NH2 2.97Å; R179-H181 PolarHBondContact O-N 2.74Å; R179-T325 HydrophobicContact CB-CG2 4.49Å | ||
| 180 | V | 92.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | trans | -80 | 112 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | T73 M75 Y155 I156 V209 | T73-V180 HydrophobicContact CG2-CG2 4.26Å; M75-V180 HydrophobicContact CB-CG1 3.44Å; M75-V180 VanDerWaalsContact CB-CG1 3.44Å; M75-V180 HydrophobicContact SD-CG1 4.46Å; Y155-V180 HydrophobicContact CE1-CG2 4.24Å; I156-V180 HydrophobicContact CG1-CG2 4.34Å; V180-V209 HydrophobicContact CB-CG2 4.28Å; V180-V209 HydrophobicContact CG1-CG2 3.7Å | ||
| 181 | H | 91.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -82.4 | -33.2 | -177.4 | -53.1 | 127.3 | 0 | 0 | 0 | 112.8 | E71 F72 T73 D177 R179 N210 Q322 T325 | E71-H181 PolarHBondContact O-CE1 2.81Å; F72-H181 HydrophobicContact CD2-CB 4.09Å; F72-H181 AromaticContact CD2-ND1 3.63Å; F72-H181 HydrophobicContact CE2-CB 3.69Å; F72-H181 AromaticContact CG-ND1 3.93Å; F72-H181 HydrophobicContact CZ-CB 4.07Å; T73-H181 PolarHBondContact N-ND1 3.3Å; T73-H181 PolarHBondContact O-N 3.39Å; D177-H181 IonicContact OD2-NE2 3.34Å; D177-H181 PolarHBondContact OD2-NE2 2.82Å; R179-H181 PolarHBondContact O-N 2.74Å; H181-N210 WeakPolarHBondContact O-CB 3.29Å; H181-N210 PolarHBondContact O-ND2 2.82Å; H181-Q322 HydrophobicContact CB-CG 4.31Å; H181-T325 WeakPolarHBondContact CA-OG1 3.36Å; H181-T325 PolarHBondContact O-OG1 3.05Å | ||
| 182 | C | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 140.3 | -177.1 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | F72 L74 M75 F184 L321 | F72-C182 HydrophobicContact CE1-CB 4.33Å; F72-C182 HydrophobicContact CZ-CB 3.87Å; L74-C182 HydrophobicContact CD1-CB 3.88Å; M75-C182 PolarHBondContact N-O 2.71Å; C182-F184 VanDerWaalsContact SG-CE1 3.59Å; C182-L321 HydrophobicContact CB-CD1 4.15Å; C182-L321 HydrophobicContact CB-CD2 4.35Å |
| 183 | C | 92.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.6 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | M75 Y185 V209 N210 V212 | M75-C183 HydrophobicContact CB-CB 4.45Å; M75-C183 CarbonylContact O-C 3.41Å; M75-C183 WeakPolarHBondContact O-CA 3.42Å; C183-Y185 PolarHBondContact O-N 3.31Å; C183-V209 HydrophobicContact CB-CB 4.44Å; C183-V209 HydrophobicContact CB-CG1 3.76Å; C183-V209 HydrophobicContact CB-CG2 3.73Å; C183-N210 PolarHBondContact N-O 3.08Å; C183-V212 PolarHBondContact O-N 3.5Å |
| 184 | F | 93.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 114.8 | 170.1 | -74.6 | -0.4 | 0 | 0 | 0 | 109.6 | L74 M75 V77 L91 C182 F186 V212 L310 L314 | L74-F184 HydrophobicContact CD1-CD1 3.75Å; L74-F184 HydrophobicContact CD1-CD2 4.1Å; L74-F184 HydrophobicContact CD1-CE1 3.79Å; L74-F184 HydrophobicContact CD1-CE2 4.12Å; L74-F184 HydrophobicContact CD1-CG 3.94Å; L74-F184 HydrophobicContact CD1-CZ 3.98Å; L74-F184 HydrophobicContact CD2-CD2 4.03Å; L74-F184 HydrophobicContact CD2-CE2 3.86Å; L74-F184 HydrophobicContact CD2-CZ 4.35Å; L74-F184 HydrophobicContact CG-CD2 4.5Å; M75-F184 PolarHBondContact O-N 2.9Å; V77-F184 PolarHBondContact N-O 3.15Å; V77-F184 VanDerWaalsContact O-O 3.14Å; L91-F184 HydrophobicContact CD1-CE2 4.25Å; C182-F184 VanDerWaalsContact SG-CE1 3.59Å; F184-F186 HydrophobicContact CB-CD2 4.38Å; F184-F186 HydrophobicContact CB-CE2 3.92Å; F184-V212 HydrophobicContact CD1-CB 3.85Å; F184-V212 HydrophobicContact CD1-CG1 4.32Å; F184-V212 HydrophobicContact CD1-CG2 4.42Å; F184-V212 HydrophobicContact CE1-CB 4.06Å; F184-V212 HydrophobicContact CE1-CG1 4.25Å; F184-V212 HydrophobicContact CE1-CG2 4.31Å; F184-L310 HydrophobicContact CE1-CD1 4.26Å; F184-L310 HydrophobicContact CE2-CD1 4.44Å; F184-L310 HydrophobicContact CE2-CD2 4.22Å; F184-L310 HydrophobicContact CZ-CD1 3.92Å; F184-L310 HydrophobicContact CZ-CD2 4.48Å; F184-L310 HydrophobicContact CZ-CG 4.35Å; F184-L314 HydrophobicContact CE1-CD1 4.34Å; F184-L314 HydrophobicContact CZ-CD1 4.05Å; F184-L314 HydrophobicContact CZ-CD2 4.24Å |
| 185 | Y | 92.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 109.7 | 175.2 | -165.1 | -99.6 | 0 | 0 | 0 | 110.5 | V77 Y139 C183 I187 D198 F201 M202 V212 V214 | V77-Y185 HydrophobicContact CB-CD2 4.2Å; V77-Y185 HydrophobicContact CG1-CD2 4.25Å; V77-Y185 HydrophobicContact CG1-CE2 4.06Å; Y139-Y185 HydrophobicContact CE1-CE2 4.37Å; Y139-Y185 PolarHBondContact OH-OH 2.93Å; C183-Y185 PolarHBondContact O-N 3.31Å; Y185-I187 HydrophobicContact CD1-CG1 3.83Å; Y185-I187 HydrophobicContact CE1-CG1 4.14Å; Y185-I187 PolarHBondContact O-N 2.92Å; Y185-D198 HydrophobicContact CE1-CB 3.67Å; Y185-D198 VanDerWaalsContact OH-CA 3.29Å; Y185-D198 WeakPolarHBondContact OH-CA 3.33Å; Y185-D198 PolarHBondContact OH-OD1 2.8Å; Y185-F201 AromaticContact CD2-CD1 3.49Å; Y185-F201 HydrophobicContact CD2-CD1 3.49Å; Y185-F201 VanDerWaalsContact CD2-CD1 3.49Å; Y185-F201 AromaticContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CE2-CB 4.45Å; Y185-F201 AromaticContact CE2-CD1 3.16Å; Y185-F201 HydrophobicContact CE2-CD1 3.16Å; Y185-F201 AromaticContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CG 4.01Å; Y185-M202 HydrophobicContact CD1-CE 4.45Å; Y185-M202 HydrophobicContact CD1-CG 4.29Å; Y185-M202 HydrophobicContact CD1-SD 4.09Å; Y185-M202 HydrophobicContact CE1-CE 4.39Å; Y185-M202 HydrophobicContact CG-CG 4.34Å; Y185-V212 PolarHBondContact N-O 3.26Å; Y185-V214 PolarHBondContact O-N 3.46Å |
| 186 | F | 92.6 | Very high | 87.3 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 112.5 | 179.9 | -74.6 | -107.2 | 0 | 0 | 0 | 110.7 | V76 V77 L82 K84 L87 F184 V214 A216 | V76-F186 HydrophobicContact CG1-CD2 4.03Å; V76-F186 HydrophobicContact CG1-CE2 3.54Å; V76-F186 HydrophobicContact CG1-CZ 4.39Å; V77-F186 PolarHBondContact O-N 2.88Å; L82-F186 HydrophobicContact CD1-CB 3.87Å; L82-F186 WeakPolarHBondContact CD1-O 3.35Å; K84-F186 HydrophobicContact CB-CE2 4.33Å; K84-F186 HydrophobicContact CB-CZ 4.24Å; K84-F186 HydrophobicContact CD-CB 4.48Å; K84-F186 HydrophobicContact CD-CD2 4.08Å; K84-F186 HydrophobicContact CD-CG 4.28Å; K84-F186 HydrophobicContact CG-CB 4.36Å; K84-F186 HydrophobicContact CG-CD1 4.05Å; K84-F186 HydrophobicContact CG-CD2 3.88Å; K84-F186 HydrophobicContact CG-CE1 4.22Å; K84-F186 HydrophobicContact CG-CE2 4.1Å; K84-F186 HydrophobicContact CG-CG 3.85Å; K84-F186 HydrophobicContact CG-CZ 4.23Å; L87-F186 HydrophobicContact CB-CE1 4.15Å; L87-F186 HydrophobicContact CB-CZ 4.08Å; L87-F186 HydrophobicContact CD2-CE1 3.6Å; L87-F186 HydrophobicContact CD2-CZ 3.37Å; L87-F186 HydrophobicContact CG-CE1 4.48Å; L87-F186 HydrophobicContact CG-CZ 4.34Å; F184-F186 HydrophobicContact CB-CD2 4.38Å; F184-F186 HydrophobicContact CB-CE2 3.92Å; F186-V214 CarbonylContact C-O 3.52Å; F186-V214 WeakPolarHBondContact CA-O 3.38Å; F186-V214 HydrophobicContact CD1-CG1 4.5Å; F186-V214 HydrophobicContact CE1-CG1 4.46Å; F186-A216 HydrophobicContact CD1-CB 3.97Å |
| 187 | I | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.5 | 175.2 | -57.5 | 166.6 | 0 | 0 | 0 | 108.5 | Y185 L194 P213 V214 A216 I233 | Y185-I187 HydrophobicContact CD1-CG1 3.83Å; Y185-I187 HydrophobicContact CE1-CG1 4.14Å; Y185-I187 PolarHBondContact O-N 2.92Å; I187-L194 HydrophobicContact CD1-CD2 3.67Å; I187-L194 HydrophobicContact CG1-CD2 4.08Å; I187-L194 HydrophobicContact CG2-CD2 4.19Å; I187-P213 HydrophobicContact CD1-CB 3.88Å; I187-V214 PolarHBondContact N-O 2.85Å; I187-A216 WeakPolarHBondContact O-CB 3.44Å; I187-A216 PolarHBondContact O-N 2.93Å; I187-I233 HydrophobicContact CD1-CD1 4.06Å; I187-I233 HydrophobicContact CD1-CG2 4.01Å; I187-I233 HydrophobicContact CG2-CD1 4.09Å |
| 188 | S | 89.6 | Confident | 88.1 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | trans | -71.2 | 128.7 | 176.8 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | F190 | S188-F190 PolarHBondContact O-N 2.83Å; S188-F190 WeakPolarHBondContact OG-CD2 3.34Å | ||
| 189 | P | 88.9 | Confident | 88.4 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.6 | 178.1 | 34.7 | -39 | 0 | 0 | 0 | 112.6 | G191 I215 A216 K217 T220 L221 | P189-G191 PolarHBondContact O-N 2.98Å; P189-I215 HydrophobicContact CB-CG2 4.12Å; P189-A216 WeakPolarHBondContact CB-O 3.4Å; P189-A216 WeakPolarHBondContact CD-O 3.49Å; P189-A216 WeakPolarHBondContact CG-O 3.47Å; P189-K217 HydrophobicContact CG-CB 4.18Å; P189-T220 WeakPolarHBondContact CG-OG1 3.06Å; P189-L221 HydrophobicContact CB-CD1 3.86Å; P189-L221 HydrophobicContact CB-CD2 4.31Å; P189-L221 HydrophobicContact CB-CG 4.04Å |
| 190 | F | 82.1 | Confident | 88.3 | Confident | 139 Ų | 139 | 31.9 Ų | 31.9 | 61% | 0.61 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.5 | -175.4 | -55.3 | -61.7 | 0 | 0 | 0 | 113.4 | S188 K217 T220 | S188-F190 PolarHBondContact O-N 2.83Å; S188-F190 WeakPolarHBondContact OG-CD2 3.34Å; F190-K217 HydrophobicContact CZ-CD 4.29Å; F190-T220 HydrophobicContact CE1-CG2 4.12Å; F190-T220 HydrophobicContact CZ-CG2 4.44Å |
| 191 | G | 73.1 | Confident | 88.1 | Confident | 27 Ų | 27 | 31.9 Ų | 31.9 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -97 | 167 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P189 G193 | P189-G191 PolarHBondContact O-N 2.98Å; G191-G193 VanDerWaalsContact C-N 3.31Å |
| 192 | H | 81.3 | Confident | 88.1 | Confident | 163 Ų | 163 | 31.9 Ų | 31.9 | 76% | 0.755 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -82.3 | -8.4 | 170.4 | -66.3 | -50.3 | 0 | 0 | 0 | 113.5 | R232 | H192-R232 WeakPolarHBondContact O-CD 3.35Å; H192-R232 VanDerWaalsContact O-CZ 3.24Å; H192-R232 PolarHBondContact O-NE 3Å; H192-R232 PolarHBondContact O-NH1 2.9Å; H192-R232 VanDerWaalsContact O-NH1 3.16Å |
| 193 | G | 84.5 | Confident | 88 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 177.2 | -159.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G191 | G191-G193 VanDerWaalsContact C-N 3.31Š|
| 194 | L | 87.4 | Confident | 87.8 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | trans | -70.6 | 136.3 | 174.8 | -63.5 | 176.5 | 0 | 0 | 0 | 110.9 | I187 D198 V199 M202 I233 E236 I237 | I187-L194 HydrophobicContact CD1-CD2 3.67Å; I187-L194 HydrophobicContact CG1-CD2 4.08Å; I187-L194 HydrophobicContact CG2-CD2 4.19Å; L194-D198 HydrophobicContact CB-CB 4.48Å; L194-D198 HydrophobicContact CD2-CB 4.42Å; L194-V199 HydrophobicContact CB-CG2 3.94Å; L194-V199 HydrophobicContact CD1-CG2 4.24Å; L194-M202 HydrophobicContact CD1-CE 3.74Å; L194-M202 HydrophobicContact CD2-CE 3.77Å; L194-M202 HydrophobicContact CG-CE 4.32Å; L194-I233 HydrophobicContact CD2-CG1 4.22Å; L194-I233 HydrophobicContact CD2-CG2 4.1Å; L194-I233 HydrophobicContact CG-CG1 4.35Å; L194-I233 HydrophobicContact CG-CG2 4.37Å; L194-E236 VanDerWaalsContact CB-OE2 3.23Å; L194-E236 WeakPolarHBondContact CB-OE2 3.47Å; L194-E236 HydrophobicContact CD1-CB 3.96Å; L194-E236 HydrophobicContact CG-CB 4.45Å; L194-E236 WeakPolarHBondContact CG-OE2 3.38Å; L194-E236 PolarHBondContact N-OE2 2.75Å; L194-I237 HydrophobicContact CD1-CG1 4.06Å | ||
| 195 | K | 88.1 | Confident | 87.7 | Confident | 71 Ų | 71 | 37.7 Ų | 37.7 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | trans | -73.9 | 151.5 | 171.4 | -63.5 | 174.1 | 172.8 | 179.9 | 0 | 109.2 | E79 L197 D198 V199 | E79-K195 WeakPolarHBondContact OE1-CD 3.42Å; E79-K195 IonicContact OE1-NZ 2.61Å; E79-K195 PolarHBondContact OE1-NZ 2.79Å; E79-K195 IonicContact OE2-NZ 2.77Å; E79-K195 PolarHBondContact OE2-NZ 2.82Å; K195-L197 PolarHBondContact O-N 3.04Å; K195-L197 VanDerWaalsContact O-N 3.11Å; K195-D198 HydrophobicContact CB-CB 4.49Å; K195-D198 VanDerWaalsContact CB-OD2 3.31Å; K195-D198 WeakPolarHBondContact CB-OD2 3.47Å; K195-D198 PolarHBondContact N-OD2 3.11Å; K195-D198 WeakPolarHBondContact O-CA 3.33Å; K195-D198 VanDerWaalsContact O-CB 3.3Å; K195-D198 WeakPolarHBondContact O-CB 3.36Å; K195-D198 PolarHBondContact O-N 3.08Å; K195-V199 PolarHBondContact O-N 2.81Å; K195-V199 VanDerWaalsContact O-N 3.08Å | ||
| 196 | P | 87.1 | Confident | 87.5 | Confident | 115 Ų | 115 | 39 Ų | 39 | 75% | 0.747 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -55.3 | -31.5 | 173.1 | -26.7 | 34.9 | 0 | 0 | 0 | 113.2 | A200 | P196-A200 WeakPolarHBondContact O-CB 3.45Å; P196-A200 PolarHBondContact O-N 2.81Å |
| 197 | L | 86.2 | Confident | 87.3 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 172.7 | -176.5 | 65.4 | 0 | 0 | 0 | 111.9 | C145 K195 A200 F201 | C145-L197 HydrophobicContact CB-CD1 3.86Å; C145-L197 HydrophobicContact CB-CD2 4.23Å; K195-L197 PolarHBondContact O-N 3.04Å; K195-L197 VanDerWaalsContact O-N 3.11Å; L197-A200 PolarHBondContact O-N 3.39Å; L197-F201 WeakPolarHBondContact O-CB 3.24Å; L197-F201 PolarHBondContact O-N 2.97Å |
| 198 | D | 88.8 | Confident | 87.2 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 178.9 | -56.1 | -30.9 | 0 | 0 | 0 | 110.9 | Y185 L194 K195 F201 M202 | Y185-D198 HydrophobicContact CE1-CB 3.67Å; Y185-D198 VanDerWaalsContact OH-CA 3.29Å; Y185-D198 WeakPolarHBondContact OH-CA 3.33Å; Y185-D198 PolarHBondContact OH-OD1 2.8Å; L194-D198 HydrophobicContact CB-CB 4.48Å; L194-D198 HydrophobicContact CD2-CB 4.42Å; K195-D198 HydrophobicContact CB-CB 4.49Å; K195-D198 VanDerWaalsContact CB-OD2 3.31Å; K195-D198 WeakPolarHBondContact CB-OD2 3.47Å; K195-D198 PolarHBondContact N-OD2 3.11Å; K195-D198 WeakPolarHBondContact O-CA 3.33Å; K195-D198 VanDerWaalsContact O-CB 3.3Å; K195-D198 WeakPolarHBondContact O-CB 3.36Å; K195-D198 PolarHBondContact O-N 3.08Å; D198-F201 PolarHBondContact O-N 3.49Å; D198-M202 HydrophobicContact CB-CE 3.93Å; D198-M202 WeakPolarHBondContact O-CB 3.48Å; D198-M202 WeakPolarHBondContact O-CE 3.38Å; D198-M202 WeakPolarHBondContact O-CG 3.17Å; D198-M202 PolarHBondContact O-N 2.8Å |
| 199 | V | 89.6 | Confident | 87.3 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 111 | L194 K195 F201 M202 K203 H240 I242 | L194-V199 HydrophobicContact CB-CG2 3.94Å; L194-V199 HydrophobicContact CD1-CG2 4.24Å; K195-V199 PolarHBondContact O-N 2.81Å; K195-V199 VanDerWaalsContact O-N 3.08Å; V199-F201 VanDerWaalsContact C-N 3.32Å; V199-F201 PolarHBondContact O-N 2.8Å; V199-M202 PolarHBondContact O-N 2.94Å; V199-K203 HydrophobicContact CG1-CD 4.2Å; V199-K203 WeakPolarHBondContact O-CB 3.39Å; V199-K203 VanDerWaalsContact O-CG 3.29Å; V199-K203 WeakPolarHBondContact O-CG 3.44Å; V199-K203 PolarHBondContact O-N 2.77Å; V199-H240 HydrophobicContact CG1-CB 4.14Å; V199-H240 WeakPolarHBondContact CG1-CD2 3.48Å; V199-I242 HydrophobicContact CG1-CD1 4.4Å |
| 200 | A | 88.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 44.3 Ų | 44.3 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P196 L197 A204 | P196-A200 WeakPolarHBondContact O-CB 3.45Å; P196-A200 PolarHBondContact O-N 2.81Å; L197-A200 PolarHBondContact O-N 3.39Å; A200-A204 PolarHBondContact O-N 3.08Å |
| 201 | F | 88.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -53.3 | 177.3 | -179.1 | -101 | 0 | 0 | 0 | 111.8 | V77 Y139 F149 I152 Y185 L197 D198 V199 K203 A204 I205 | V77-F201 HydrophobicContact CB-CE1 4.07Å; V77-F201 HydrophobicContact CB-CZ 4.11Å; V77-F201 HydrophobicContact CG1-CD1 4.42Å; V77-F201 HydrophobicContact CG1-CE1 3.7Å; V77-F201 HydrophobicContact CG1-CE2 4.22Å; V77-F201 HydrophobicContact CG1-CZ 3.61Å; V77-F201 HydrophobicContact CG2-CE1 4.29Å; V77-F201 HydrophobicContact CG2-CZ 3.94Å; Y139-F201 AromaticContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CD2 3.79Å; Y139-F201 HydrophobicContact CE2-CE2 4.07Å; Y139-F201 HydrophobicContact CE2-CG 4.29Å; Y139-F201 WeakPolarHBondContact OH-CB 3.49Å; Y139-F201 VanDerWaalsContact OH-CG 3.25Å; Y139-F201 WeakPolarHBondContact OH-CG 3.35Å; F149-F201 HydrophobicContact CB-CD2 3.63Å; F149-F201 HydrophobicContact CB-CE2 4.12Å; I152-F201 HydrophobicContact CB-CE2 4.22Å; I152-F201 HydrophobicContact CD1-CE2 3.65Å; I152-F201 HydrophobicContact CD1-CZ 4.05Å; I152-F201 HydrophobicContact CG2-CE2 3.85Å; I152-F201 HydrophobicContact CG2-CZ 3.91Å; Y185-F201 AromaticContact CD2-CD1 3.49Å; Y185-F201 HydrophobicContact CD2-CD1 3.49Å; Y185-F201 VanDerWaalsContact CD2-CD1 3.49Å; Y185-F201 AromaticContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CD2-CE1 3.56Å; Y185-F201 HydrophobicContact CE2-CB 4.45Å; Y185-F201 AromaticContact CE2-CD1 3.16Å; Y185-F201 HydrophobicContact CE2-CD1 3.16Å; Y185-F201 AromaticContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CE1 3.61Å; Y185-F201 HydrophobicContact CE2-CG 4.01Å; L197-F201 WeakPolarHBondContact O-CB 3.24Å; L197-F201 PolarHBondContact O-N 2.97Å; D198-F201 PolarHBondContact O-N 3.49Å; V199-F201 VanDerWaalsContact C-N 3.32Å; V199-F201 PolarHBondContact O-N 2.8Å; F201-K203 VanDerWaalsContact C-N 3.3Å; F201-K203 PolarHBondContact O-N 3.18Å; F201-A204 WeakPolarHBondContact O-CB 3.26Å; F201-A204 PolarHBondContact O-N 3.37Å; F201-I205 HydrophobicContact CD1-CD1 3.96Å; F201-I205 HydrophobicContact CD1-CG1 4.15Å; F201-I205 HydrophobicContact CE1-CD1 3.26Å; F201-I205 HydrophobicContact CE1-CG1 3.86Å; F201-I205 HydrophobicContact CE1-CG2 4.46Å; F201-I205 HydrophobicContact CE2-CG2 4.03Å; F201-I205 HydrophobicContact CZ-CD1 3.7Å; F201-I205 HydrophobicContact CZ-CG1 4.19Å; F201-I205 HydrophobicContact CZ-CG2 3.95Å; F201-I205 WeakPolarHBondContact O-CG1 3.31Å; F201-I205 PolarHBondContact O-N 2.94Å; F201-I205 VanDerWaalsContact O-N 3.12Å |
| 202 | M | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | -179.1 | -73.2 | -173.5 | -79.5 | 0 | 0 | 111.7 | Y185 L194 D198 V199 A204 I205 H206 I211 I242 | Y185-M202 HydrophobicContact CD1-CE 4.45Å; Y185-M202 HydrophobicContact CD1-CG 4.29Å; Y185-M202 HydrophobicContact CD1-SD 4.09Å; Y185-M202 HydrophobicContact CE1-CE 4.39Å; Y185-M202 HydrophobicContact CG-CG 4.34Å; L194-M202 HydrophobicContact CD1-CE 3.74Å; L194-M202 HydrophobicContact CD2-CE 3.77Å; L194-M202 HydrophobicContact CG-CE 4.32Å; D198-M202 HydrophobicContact CB-CE 3.93Å; D198-M202 WeakPolarHBondContact O-CB 3.48Å; D198-M202 WeakPolarHBondContact O-CE 3.38Å; D198-M202 WeakPolarHBondContact O-CG 3.17Å; D198-M202 PolarHBondContact O-N 2.8Å; V199-M202 PolarHBondContact O-N 2.94Å; M202-A204 VanDerWaalsContact C-N 3.26Å; M202-A204 PolarHBondContact O-N 3.45Å; M202-I205 PolarHBondContact O-N 3.42Å; M202-H206 WeakPolarHBondContact O-CB 3.47Å; M202-H206 PolarHBondContact O-N 3.45Å; M202-I211 HydrophobicContact CB-CD1 4.1Å; M202-I211 HydrophobicContact CG-CD1 4.24Å; M202-I242 HydrophobicContact CB-CD1 3.93Å; M202-I242 HydrophobicContact CB-CG1 4.4Å; M202-I242 HydrophobicContact CB-CG2 3.81Å; M202-I242 HydrophobicContact CE-CD1 4.14Å; M202-I242 HydrophobicContact SD-CG2 4.44Å |
| 203 | K | 90.2 | Very high | 89.4 | Confident | 89 Ų | 89 | 29 Ų | 29 | 39% | 0.387 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -32.2 | 173.1 | -76.1 | -173.2 | -179.3 | -161.8 | 0 | 113.5 | V199 F201 H206 H240 I242 | V199-K203 HydrophobicContact CG1-CD 4.2Å; V199-K203 WeakPolarHBondContact O-CB 3.39Å; V199-K203 VanDerWaalsContact O-CG 3.29Å; V199-K203 WeakPolarHBondContact O-CG 3.44Å; V199-K203 PolarHBondContact O-N 2.77Å; F201-K203 VanDerWaalsContact C-N 3.3Å; F201-K203 PolarHBondContact O-N 3.18Å; K203-H206 PolarHBondContact O-CD2 2.92Å; K203-H206 PolarHBondContact O-NE2 3.04Å; K203-H206 VanDerWaalsContact O-NE2 3.1Å; K203-H240 WeakPolarHBondContact CE-O 3.42Å; K203-H240 PolarHBondContact NZ-O 2.91Å; K203-I242 HydrophobicContact CG-CD1 4.44Å; K203-I242 HydrophobicContact CG-CG1 3.92Å |
| 204 | A | 88.8 | Confident | 89.8 | Confident | 33 Ų | 33 | 28.6 Ų | 28.6 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -76.9 | -32.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I153 A200 F201 M202 | I153-A204 HydrophobicContact CD1-CB 3.7Å; A200-A204 PolarHBondContact O-N 3.08Å; F201-A204 WeakPolarHBondContact O-CB 3.26Å; F201-A204 PolarHBondContact O-N 3.37Å; M202-A204 VanDerWaalsContact C-N 3.26Å; M202-A204 PolarHBondContact O-N 3.45Å |
| 205 | I | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -101.3 | -16.4 | -173.9 | 62.9 | 150.4 | 0 | 0 | 0 | 114.6 | I153 I156 F201 M202 N207 K208 V209 I211 | I153-I205 HydrophobicContact CG1-CG2 4.01Å; I156-I205 HydrophobicContact CD1-CG2 4.48Å; F201-I205 HydrophobicContact CD1-CD1 3.96Å; F201-I205 HydrophobicContact CD1-CG1 4.15Å; F201-I205 HydrophobicContact CE1-CD1 3.26Å; F201-I205 HydrophobicContact CE1-CG1 3.86Å; F201-I205 HydrophobicContact CE1-CG2 4.46Å; F201-I205 HydrophobicContact CE2-CG2 4.03Å; F201-I205 HydrophobicContact CZ-CD1 3.7Å; F201-I205 HydrophobicContact CZ-CG1 4.19Å; F201-I205 HydrophobicContact CZ-CG2 3.95Å; F201-I205 WeakPolarHBondContact O-CG1 3.31Å; F201-I205 PolarHBondContact O-N 2.94Å; F201-I205 VanDerWaalsContact O-N 3.12Å; M202-I205 PolarHBondContact O-N 3.42Å; I205-N207 PolarHBondContact O-N 3.32Å; I205-K208 PolarHBondContact O-N 3.17Å; I205-V209 HydrophobicContact CB-CG1 4.02Å; I205-V209 HydrophobicContact CD1-CG1 3.79Å; I205-V209 HydrophobicContact CG1-CG1 4.35Å; I205-V209 PolarHBondContact O-N 3.01Å; I205-V209 VanDerWaalsContact O-N 3.07Å; I205-I211 HydrophobicContact CD1-CD1 3.73Å; I205-I211 HydrophobicContact CD1-CG1 3.77Å; I205-I211 HydrophobicContact CG1-CD1 3.65Å; I205-I211 HydrophobicContact CG1-CG1 4.16Å |
| 206 | H | 90.3 | Very high | 90.2 | Very high | 28 Ų | 28 | 24.4 Ų | 24.4 | 13% | 0.13 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.1 | -173.8 | 69 | 164.3 | 0 | 0 | 0 | 116 | M202 K203 I211 K243 | M202-H206 WeakPolarHBondContact O-CB 3.47Å; M202-H206 PolarHBondContact O-N 3.45Å; K203-H206 PolarHBondContact O-CD2 2.92Å; K203-H206 PolarHBondContact O-NE2 3.04Å; K203-H206 VanDerWaalsContact O-NE2 3.1Å; H206-I211 HydrophobicContact CB-CD1 3.86Å; H206-K243 HydrophobicContact CB-CB 4.26Å; H206-K243 WeakPolarHBondContact CB-O 3.39Å; H206-K243 PolarHBondContact ND1-N 3.21Å |
| 207 | N | 88.3 | Confident | 90.4 | Very high | 79 Ų | 79 | 21.9 Ų | 21.9 | 42% | 0.422 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.5 | 177.1 | -65.3 | -42.8 | 0 | 0 | 0 | 112.6 | I205 H329 | I205-N207 PolarHBondContact O-N 3.32Å; N207-H329 PolarHBondContact O-ND1 3.12Å |
| 208 | K | 88.2 | Confident | 90.5 | Very high | 43 Ų | 43 | 20.2 Ų | 20.2 | 19% | 0.187 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -29.3 | -174.1 | -64.1 | 177.6 | -175.8 | -103.3 | 0 | 112.9 | I153 I156 D157 F160 I205 H329 | I153-K208 HydrophobicContact CG2-CD 4.13Å; I156-K208 HydrophobicContact CG2-CB 4.14Å; D157-K208 IonicContact OD1-NZ 2.99Å; D157-K208 PolarHBondContact OD1-NZ 3.33Å; D157-K208 IonicContact OD2-NZ 3.35Å; D157-K208 PolarHBondContact OD2-NZ 2.94Å; F160-K208 HydrophobicContact CE2-CB 4.32Å; F160-K208 VanDerWaalsContact CZ-O 3.28Å; F160-K208 WeakPolarHBondContact CZ-O 3.02Å; I205-K208 PolarHBondContact O-N 3.17Å; K208-H329 WeakPolarHBondContact O-CB 3.36Å |
| 209 | V | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -144.7 | 149.6 | -176.3 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | I156 V180 C183 I205 I211 | I156-V209 HydrophobicContact CD1-CG1 4.41Å; V180-V209 HydrophobicContact CB-CG2 4.28Å; V180-V209 HydrophobicContact CG1-CG2 3.7Å; C183-V209 HydrophobicContact CB-CB 4.44Å; C183-V209 HydrophobicContact CB-CG1 3.76Å; C183-V209 HydrophobicContact CB-CG2 3.73Å; I205-V209 HydrophobicContact CB-CG1 4.02Å; I205-V209 HydrophobicContact CD1-CG1 3.79Å; I205-V209 HydrophobicContact CG1-CG1 4.35Å; I205-V209 PolarHBondContact O-N 3.01Å; I205-V209 VanDerWaalsContact O-N 3.07Å; V209-I211 HydrophobicContact CG1-CG1 4.43Å; V209-I211 PolarHBondContact O-N 3.33Å |
| 210 | N | 92.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.032 | 13% | 0.133 | C | C | . | . | trans | -68.2 | 110.4 | 171.4 | -65.4 | -53.8 | 0 | 0 | 0 | 110.5 | H181 C183 Y245 L321 V324 T325 H329 | H181-N210 WeakPolarHBondContact O-CB 3.29Å; H181-N210 PolarHBondContact O-ND2 2.82Å; C183-N210 PolarHBondContact N-O 3.08Å; N210-Y245 HydrophobicContact CB-CD2 4.12Å; N210-Y245 HydrophobicContact CB-CG 4.4Å; N210-L321 HydrophobicContact CB-CD2 3.68Å; N210-L321 PolarHBondContact ND2-O 3.5Å; N210-L321 VanDerWaalsContact ND2-O 3.08Å; N210-V324 WeakPolarHBondContact OD1-CG1 3.31Å; N210-T325 PolarHBondContact ND2-OG1 3.22Å; N210-H329 PolarHBondContact N-NE2 2.91Å; N210-H329 PolarHBondContact OD1-NE2 2.97Å | ||
| 211 | I | 92.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125.4 | 179.2 | -50 | 177.5 | 0 | 0 | 0 | 109.7 | M202 I205 H206 V209 Y245 | M202-I211 HydrophobicContact CB-CD1 4.1Å; M202-I211 HydrophobicContact CG-CD1 4.24Å; I205-I211 HydrophobicContact CD1-CD1 3.73Å; I205-I211 HydrophobicContact CD1-CG1 3.77Å; I205-I211 HydrophobicContact CG1-CD1 3.65Å; I205-I211 HydrophobicContact CG1-CG1 4.16Å; H206-I211 HydrophobicContact CB-CD1 3.86Å; V209-I211 HydrophobicContact CG1-CG1 4.43Å; V209-I211 PolarHBondContact O-N 3.33Å; I211-Y245 PolarHBondContact O-N 2.96Å |
| 212 | V | 92.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 108 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | C183 F184 Y185 V214 F271 L310 M313 | C183-V212 PolarHBondContact O-N 3.5Å; F184-V212 HydrophobicContact CD1-CB 3.85Å; F184-V212 HydrophobicContact CD1-CG1 4.32Å; F184-V212 HydrophobicContact CD1-CG2 4.42Å; F184-V212 HydrophobicContact CE1-CB 4.06Å; F184-V212 HydrophobicContact CE1-CG1 4.25Å; F184-V212 HydrophobicContact CE1-CG2 4.31Å; Y185-V212 PolarHBondContact N-O 3.26Å; V212-V214 HydrophobicContact CG1-CG2 4.22Å; V212-F271 HydrophobicContact CG1-CD2 4.11Å; V212-F271 HydrophobicContact CG1-CE2 4.23Å; V212-L310 HydrophobicContact CG1-CD1 4.2Å; V212-M313 HydrophobicContact CG2-CE 4.39Å |
| 213 | P | 92.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.8 | 177.3 | 29.7 | -33.6 | 0 | 0 | 0 | 110.9 | I187 I244 I269 P270 F271 | I187-P213 HydrophobicContact CD1-CB 3.88Å; P213-I244 HydrophobicContact CG-CD1 4.39Å; P213-I244 HydrophobicContact CG-CG2 4.32Å; P213-I269 HydrophobicContact CG-CG2 4.17Å; P213-P270 HydrophobicContact CB-CB 4.05Å; P213-P270 HydrophobicContact CG-CB 4.03Å; P213-P270 WeakPolarHBondContact O-CB 3.19Å; P213-F271 PolarHBondContact O-N 3.21Å |
| 214 | V | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 122.3 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | L87 Y185 F186 I187 V212 A216 F271 V273 L310 | L87-V214 HydrophobicContact CD2-CG1 4.5Å; Y185-V214 PolarHBondContact O-N 3.46Å; F186-V214 CarbonylContact C-O 3.52Å; F186-V214 WeakPolarHBondContact CA-O 3.38Å; F186-V214 HydrophobicContact CD1-CG1 4.5Å; F186-V214 HydrophobicContact CE1-CG1 4.46Å; I187-V214 PolarHBondContact N-O 2.85Å; V212-V214 HydrophobicContact CG1-CG2 4.22Å; V214-A216 PolarHBondContact O-N 3.43Å; V214-F271 CarbonylContact C-O 3.57Å; V214-F271 WeakPolarHBondContact CA-O 3.4Å; V214-V273 HydrophobicContact CG1-CB 4.28Å; V214-V273 HydrophobicContact CG1-CG1 4.02Å; V214-V273 HydrophobicContact CG1-CG2 3.3Å; V214-L310 HydrophobicContact CG1-CD2 4.49Å; V214-L310 HydrophobicContact CG2-CD1 4.23Å; V214-L310 HydrophobicContact CG2-CD2 4.26Å |
| 215 | I | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.1 | 171.9 | -58.5 | 169.4 | 0 | 0 | 0 | 108 | P189 L221 L229 K230 I233 P270 F271 V273 | P189-I215 HydrophobicContact CB-CG2 4.12Å; I215-L221 HydrophobicContact CG2-CD1 4.13Å; I215-L229 HydrophobicContact CD1-CD2 4.21Å; I215-L229 HydrophobicContact CD1-CG 4.39Å; I215-L229 HydrophobicContact CG2-CD2 4.21Å; I215-K230 HydrophobicContact CD1-CG 3.86Å; I215-I233 HydrophobicContact CD1-CD1 3.89Å; I215-I233 HydrophobicContact CG1-CD1 3.95Å; I215-P270 HydrophobicContact CD1-CB 4.48Å; I215-P270 HydrophobicContact CD1-CG 3.92Å; I215-P270 HydrophobicContact CG1-CB 4.34Å; I215-P270 HydrophobicContact CG1-CG 4.24Å; I215-F271 PolarHBondContact N-O 3.05Å; I215-V273 PolarHBondContact O-N 3.15Å |
| 216 | A | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -73.8 | 156.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L82 F186 I187 P189 V214 A218 | L82-A216 HydrophobicContact CB-CB 3.79Å; L82-A216 HydrophobicContact CD1-CB 4.32Å; L82-A216 HydrophobicContact CD2-CB 4.12Å; L82-A216 HydrophobicContact CG-CB 4.3Å; F186-A216 HydrophobicContact CD1-CB 3.97Å; I187-A216 WeakPolarHBondContact O-CB 3.44Å; I187-A216 PolarHBondContact O-N 2.93Å; P189-A216 WeakPolarHBondContact CB-O 3.4Å; P189-A216 WeakPolarHBondContact CD-O 3.49Å; P189-A216 WeakPolarHBondContact CG-O 3.47Å; V214-A216 PolarHBondContact O-N 3.43Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.22Å |
| 217 | K | 89.9 | Confident | 91 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 27% | 0.274 | 23% | 0.232 | S | C | . | . | trans | 42.8 | 53.2 | 173.8 | -60 | -177.7 | -179.1 | 174.9 | 0 | 113 | G81 P189 F190 D219 T220 V273 | G81-K217 WeakPolarHBondContact O-CE 3.36Å; G81-K217 PolarHBondContact O-NZ 3.37Å; P189-K217 HydrophobicContact CG-CB 4.18Å; F190-K217 HydrophobicContact CZ-CD 4.29Å; K217-D219 WeakPolarHBondContact CA-OD1 3.2Å; K217-D219 PolarHBondContact O-N 2.86Å; K217-T220 HydrophobicContact CB-CG2 4.11Å; K217-T220 WeakPolarHBondContact O-CB 3.49Å; K217-T220 PolarHBondContact O-N 3.5Å; K217-T220 PolarHBondContact O-OG1 2.91Å; K217-V273 PolarHBondContact N-O 3.08Å | ||
| 218 | A | 89.8 | Confident | 91.2 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -61.2 | -17.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | A216 T220 L221 V273 V274 | A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.22Å; A218-T220 PolarHBondContact O-N 2.89Å; A218-L221 PolarHBondContact O-N 2.83Å; A218-L221 VanDerWaalsContact O-N 3.14Å; A218-V273 WeakPolarHBondContact CB-O 3.35Å; A218-V273 PolarHBondContact N-O 3.27Å; A218-V274 HydrophobicContact CB-CG2 4.05Å |
| 219 | D | 90.6 | Very high | 91.3 | Very high | 37 Ų | 37 | 51 Ų | 51 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -67.4 | -9.6 | 173.6 | 56.1 | -27.8 | 0 | 0 | 0 | 114.3 | K217 L221 V274 R290 Y292 V297 | K217-D219 WeakPolarHBondContact CA-OD1 3.2Å; K217-D219 PolarHBondContact O-N 2.86Å; D219-L221 VanDerWaalsContact C-N 3.35Å; D219-V274 HydrophobicContact CB-CG1 4.45Å; D219-V274 HydrophobicContact CB-CG2 3.87Å; D219-R290 IonicContact OD1-NH1 3.2Å; D219-R290 PolarHBondContact OD1-NH1 2.93Å; D219-R290 WeakPolarHBondContact OD2-CD 3.44Å; D219-R290 IonicContact OD2-CZ 3.36Å; D219-R290 IonicContact OD2-NE 3.58Å; D219-R290 IonicContact OD2-NH1 2.72Å; D219-R290 PolarHBondContact OD2-NH1 3.37Å; D219-Y292 PolarHBondContact OD2-OH 3.2Å; D219-V297 HydrophobicContact CB-CG1 4.35Å; D219-V297 HydrophobicContact CB-CG2 4.37Å |
| 220 | T | 89.4 | Confident | 91.3 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -82.3 | -14 | 171.9 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | P189 F190 K217 A218 | P189-T220 WeakPolarHBondContact CG-OG1 3.06Å; F190-T220 HydrophobicContact CE1-CG2 4.12Å; F190-T220 HydrophobicContact CZ-CG2 4.44Å; K217-T220 HydrophobicContact CB-CG2 4.11Å; K217-T220 WeakPolarHBondContact O-CB 3.49Å; K217-T220 PolarHBondContact O-N 3.5Å; K217-T220 PolarHBondContact O-OG1 2.91Å; A218-T220 PolarHBondContact O-N 2.89Å |
| 221 | L | 89.8 | Confident | 91.2 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.183 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -108 | 139.5 | -174.4 | -60.9 | 171.8 | 0 | 0 | 0 | 110.5 | P189 I215 A218 D219 E225 R226 L229 | P189-L221 HydrophobicContact CB-CD1 3.86Å; P189-L221 HydrophobicContact CB-CD2 4.31Å; P189-L221 HydrophobicContact CB-CG 4.04Å; I215-L221 HydrophobicContact CG2-CD1 4.13Å; A218-L221 PolarHBondContact O-N 2.83Å; A218-L221 VanDerWaalsContact O-N 3.14Å; D219-L221 VanDerWaalsContact C-N 3.35Å; L221-E225 HydrophobicContact CB-CB 4.48Å; L221-E225 HydrophobicContact CD2-CB 4.32Å; L221-R226 HydrophobicContact CB-CB 4.31Å; L221-L229 HydrophobicContact CD1-CD2 3.71Å |
| 222 | T | 91.6 | Very high | 91.2 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 49% | 0.485 | 30% | 0.296 | S | S | . | . | trans | -72.2 | 162.3 | 164.8 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | K224 E225 R226 | T222-K224 VanDerWaalsContact C-N 3.27Å; T222-K224 PolarHBondContact O-N 3.35Å; T222-E225 WeakPolarHBondContact CB-OE2 3.17Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.49Å; T222-E225 PolarHBondContact N-OE2 2.92Å; T222-E225 PolarHBondContact O-N 3.49Å; T222-E225 VanDerWaalsContact O-N 3.15Å; T222-E225 VanDerWaalsContact OG1-CG 3.25Å; T222-E225 WeakPolarHBondContact OG1-CG 3.36Å; T222-E225 PolarHBondContact OG1-N 3.29Å; T222-E225 PolarHBondContact OG1-OE2 2.69Å; T222-R226 WeakPolarHBondContact O-CB 3.32Å; T222-R226 PolarHBondContact O-N 2.93Å | ||
| 223 | L | 90 | Very high | 91.2 | Very high | 115 Ų | 115 | 64 Ų | 64 | 60% | 0.602 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.2 | -41.9 | 179 | -64.5 | 175.7 | 0 | 0 | 0 | 112.5 | R226 E227 | L223-R226 PolarHBondContact O-N 3.35Å; L223-E227 WeakPolarHBondContact O-CG 3.46Å; L223-E227 PolarHBondContact O-N 3.42Å |
| 224 | K | 92.4 | Very high | 91 | Very high | 174 Ų | 174 | 66.9 Ų | 66.9 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.9 | -40.8 | 178.4 | -65.8 | -177.5 | 179.5 | 179.5 | 0 | 112.6 | T222 R228 | T222-K224 VanDerWaalsContact C-N 3.27Å; T222-K224 PolarHBondContact O-N 3.35Å; K224-R228 WeakPolarHBondContact O-CB 3.41Å; K224-R228 PolarHBondContact O-N 3.34Å; K224-R228 VanDerWaalsContact O-N 3.09Å |
| 225 | E | 91.3 | Very high | 91 | Very high | 99 Ų | 99 | 71 Ų | 71 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 178.4 | -71.5 | 162.2 | 156.3 | 0 | 0 | 111.4 | L221 T222 R228 L229 | L221-E225 HydrophobicContact CB-CB 4.48Å; L221-E225 HydrophobicContact CD2-CB 4.32Å; T222-E225 WeakPolarHBondContact CB-OE2 3.17Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.49Å; T222-E225 PolarHBondContact N-OE2 2.92Å; T222-E225 PolarHBondContact O-N 3.49Å; T222-E225 VanDerWaalsContact O-N 3.15Å; T222-E225 VanDerWaalsContact OG1-CG 3.25Å; T222-E225 WeakPolarHBondContact OG1-CG 3.36Å; T222-E225 PolarHBondContact OG1-N 3.29Å; T222-E225 PolarHBondContact OG1-OE2 2.69Å; E225-R228 PolarHBondContact O-N 3.22Å; E225-L229 VanDerWaalsContact O-CB 3.31Å; E225-L229 WeakPolarHBondContact O-CB 3.26Å; E225-L229 PolarHBondContact O-N 3.26Å |
| 226 | R | 90 | Very high | 90.9 | Very high | 33 Ų | 33 | 72.2 Ų | 72.2 | 13% | 0.125 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -49.8 | 174 | 174.8 | -174.2 | 171.4 | -167.6 | -1.5 | 111.2 | L221 T222 L223 R228 L229 K230 S272 D306 | L221-R226 HydrophobicContact CB-CB 4.31Å; T222-R226 WeakPolarHBondContact O-CB 3.32Å; T222-R226 PolarHBondContact O-N 2.93Å; L223-R226 PolarHBondContact O-N 3.35Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.07Å; R226-L229 PolarHBondContact O-N 3.05Å; R226-K230 WeakPolarHBondContact O-CB 3.41Å; R226-K230 WeakPolarHBondContact O-CG 3.27Å; R226-K230 PolarHBondContact O-N 3.22Å; R226-S272 PolarHBondContact NE-OG 3.05Å; R226-S272 PolarHBondContact NH2-OG 2.85Å; R226-D306 IonicContact CZ-OD2 3.78Å; R226-D306 IonicContact NH2-OD1 2.66Å; R226-D306 PolarHBondContact NH2-OD1 3Å; R226-D306 IonicContact NH2-OD2 3.75Å; R226-D306 PolarHBondContact NH2-OD2 3.04Å |
| 227 | E | 90.5 | Very high | 90.9 | Very high | 136 Ų | 136 | 72.6 Ų | 72.6 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 177.2 | -74 | 172.3 | -176.3 | 0 | 0 | 112 | L223 L229 K230 K231 | L223-E227 WeakPolarHBondContact O-CG 3.46Å; L223-E227 PolarHBondContact O-N 3.42Å; E227-L229 PolarHBondContact O-N 3.49Å; E227-K230 PolarHBondContact O-N 3.01Å; E227-K231 PolarHBondContact O-N 3.04Å |
| 228 | R | 92.2 | Very high | 90.9 | Very high | 204 Ų | 204 | 76.4 Ų | 76.4 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 177.4 | -167.7 | -178.9 | -161.8 | 174.8 | 5.7 | 112.1 | K224 E225 R226 R232 | K224-R228 WeakPolarHBondContact O-CB 3.41Å; K224-R228 PolarHBondContact O-N 3.34Å; K224-R228 VanDerWaalsContact O-N 3.09Å; E225-R228 PolarHBondContact O-N 3.22Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.07Å; R228-R232 WeakPolarHBondContact O-CB 3.41Å; R228-R232 PolarHBondContact O-N 2.91Å; R228-R232 VanDerWaalsContact O-N 3.08Å |
| 229 | L | 91.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 82.8 Ų | 82.8 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 179.5 | -177.5 | 63.2 | 0 | 0 | 0 | 111.2 | I215 L221 E225 R226 E227 K231 R232 I233 | I215-L229 HydrophobicContact CD1-CD2 4.21Å; I215-L229 HydrophobicContact CD1-CG 4.39Å; I215-L229 HydrophobicContact CG2-CD2 4.21Å; L221-L229 HydrophobicContact CD1-CD2 3.71Å; E225-L229 VanDerWaalsContact O-CB 3.31Å; E225-L229 WeakPolarHBondContact O-CB 3.26Å; E225-L229 PolarHBondContact O-N 3.26Å; R226-L229 PolarHBondContact O-N 3.05Å; E227-L229 PolarHBondContact O-N 3.49Å; L229-K231 PolarHBondContact O-N 3.32Å; L229-R232 PolarHBondContact O-N 2.99Å; L229-I233 HydrophobicContact CD1-CD1 4.03Å; L229-I233 HydrophobicContact CD1-CG1 4.26Å; L229-I233 HydrophobicContact CD2-CD1 4.43Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 HydrophobicContact CG-CG1 4.43Å; L229-I233 VanDerWaalsContact O-CG1 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.48Å; L229-I233 PolarHBondContact O-N 3.05Å |
| 230 | K | 91.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 83.8 Ų | 83.8 | 11% | 0.109 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.8 | -50 | 175.7 | -76.1 | -167.7 | -179.6 | -154.7 | 0 | 111.5 | I215 R226 E227 R232 I233 L234 S268 P270 D306 | I215-K230 HydrophobicContact CD1-CG 3.86Å; R226-K230 WeakPolarHBondContact O-CB 3.41Å; R226-K230 WeakPolarHBondContact O-CG 3.27Å; R226-K230 PolarHBondContact O-N 3.22Å; E227-K230 PolarHBondContact O-N 3.01Å; K230-R232 VanDerWaalsContact C-N 3.32Å; K230-R232 PolarHBondContact O-N 2.65Å; K230-I233 PolarHBondContact O-N 3.39Å; K230-L234 WeakPolarHBondContact O-CG 3.29Å; K230-L234 PolarHBondContact O-N 3.4Å; K230-S268 PolarHBondContact NZ-O 2.74Å; K230-P270 HydrophobicContact CB-CG 4.45Å; K230-P270 WeakPolarHBondContact CE-O 3.26Å; K230-P270 HydrophobicContact CG-CG 4.12Å; K230-P270 PolarHBondContact NZ-O 2.95Å; K230-P270 VanDerWaalsContact NZ-O 3.1Å; K230-D306 IonicContact NZ-OD2 2.9Å; K230-D306 PolarHBondContact NZ-OD2 3.45Å |
| 231 | K | 91.4 | Very high | 91.2 | Very high | 142 Ų | 142 | 86.9 Ų | 86.9 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.2 | -47 | 178.7 | -174 | 176.6 | 179.1 | 178.4 | 0 | 111.2 | E227 L229 I233 L234 D235 | E227-K231 PolarHBondContact O-N 3.04Å; L229-K231 PolarHBondContact O-N 3.32Å; K231-I233 PolarHBondContact O-N 3.48Å; K231-L234 PolarHBondContact O-N 3.41Å; K231-D235 PolarHBondContact O-N 3.01Å |
| 232 | R | 91.7 | Very high | 91.2 | Very high | 117 Ų | 117 | 85.7 Ų | 85.7 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 179.7 | -178.8 | 155.4 | 171.9 | -179.1 | 11.5 | 113.6 | H192 R228 L229 K230 L234 D235 E236 | H192-R232 WeakPolarHBondContact O-CD 3.35Å; H192-R232 VanDerWaalsContact O-CZ 3.24Å; H192-R232 PolarHBondContact O-NE 3Å; H192-R232 PolarHBondContact O-NH1 2.9Å; H192-R232 VanDerWaalsContact O-NH1 3.16Å; R228-R232 WeakPolarHBondContact O-CB 3.41Å; R228-R232 PolarHBondContact O-N 2.91Å; R228-R232 VanDerWaalsContact O-N 3.08Å; L229-R232 PolarHBondContact O-N 2.99Å; K230-R232 VanDerWaalsContact C-N 3.32Å; K230-R232 PolarHBondContact O-N 2.65Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.89Å; R232-D235 PolarHBondContact O-N 2.75Å; R232-E236 HydrophobicContact CG-CG 4.36Å; R232-E236 VanDerWaalsContact CG-OE1 3.31Å; R232-E236 WeakPolarHBondContact CG-OE1 2.8Å; R232-E236 IonicContact CZ-OE1 2.72Å; R232-E236 IonicContact NE-OE1 2.69Å; R232-E236 PolarHBondContact NE-OE1 3.45Å; R232-E236 IonicContact NH2-OE1 3.77Å; R232-E236 WeakPolarHBondContact O-CB 3.33Å; R232-E236 VanDerWaalsContact O-CG 3.28Å; R232-E236 WeakPolarHBondContact O-CG 3.32Å; R232-E236 PolarHBondContact O-N 3.34Å |
| 233 | I | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 175 | -71.4 | 165.4 | 0 | 0 | 0 | 110.4 | I187 L194 I215 L229 K230 K231 E236 I237 P270 | I187-I233 HydrophobicContact CD1-CD1 4.06Å; I187-I233 HydrophobicContact CD1-CG2 4.01Å; I187-I233 HydrophobicContact CG2-CD1 4.09Å; L194-I233 HydrophobicContact CD2-CG1 4.22Å; L194-I233 HydrophobicContact CD2-CG2 4.1Å; L194-I233 HydrophobicContact CG-CG1 4.35Å; L194-I233 HydrophobicContact CG-CG2 4.37Å; I215-I233 HydrophobicContact CD1-CD1 3.89Å; I215-I233 HydrophobicContact CG1-CD1 3.95Å; L229-I233 HydrophobicContact CD1-CD1 4.03Å; L229-I233 HydrophobicContact CD1-CG1 4.26Å; L229-I233 HydrophobicContact CD2-CD1 4.43Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 HydrophobicContact CG-CG1 4.43Å; L229-I233 VanDerWaalsContact O-CG1 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.48Å; L229-I233 PolarHBondContact O-N 3.05Å; K230-I233 PolarHBondContact O-N 3.39Å; K231-I233 PolarHBondContact O-N 3.48Å; I233-E236 PolarHBondContact O-N 3.1Å; I233-I237 HydrophobicContact CG2-CD1 3.69Å; I233-I237 HydrophobicContact CG2-CG1 4.34Å; I233-I237 WeakPolarHBondContact O-CB 3.34Å; I233-I237 WeakPolarHBondContact O-CG1 3.14Å; I233-I237 PolarHBondContact O-N 2.59Å; I233-P270 HydrophobicContact CB-CG 4.29Å; I233-P270 HydrophobicContact CD1-CG 4.28Å; I233-P270 HydrophobicContact CG2-CG 4.01Å |
| 234 | L | 90 | Very high | 90.9 | Very high | 63 Ų | 63 | 83.3 Ų | 83.3 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 176.8 | -68.3 | 171 | 0 | 0 | 0 | 111.6 | K230 K231 R232 E236 I237 E238 | K230-L234 WeakPolarHBondContact O-CG 3.29Å; K230-L234 PolarHBondContact O-N 3.4Å; K231-L234 PolarHBondContact O-N 3.41Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.89Å; L234-E236 VanDerWaalsContact C-N 3.3Å; L234-E236 PolarHBondContact O-N 3.42Å; L234-I237 PolarHBondContact O-N 2.87Å; L234-E238 PolarHBondContact O-N 2.99Å |
| 235 | D | 92.1 | Very high | 90.6 | Very high | 86 Ų | 86 | 75.5 Ų | 75.5 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.6 | -63.6 | -22.6 | 0 | 0 | 0 | 110.9 | K231 R232 E238 E239 | K231-D235 PolarHBondContact O-N 3.01Å; R232-D235 PolarHBondContact O-N 2.75Å; D235-E238 PolarHBondContact O-N 3.11Å; D235-E239 WeakPolarHBondContact O-CB 3.42Å; D235-E239 PolarHBondContact O-N 3.25Å |
| 236 | E | 91.3 | Very high | 90 | Very high | 27 Ų | 27 | 77.4 Ų | 77.4 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.4 | -33.6 | 179 | -71.7 | 172.1 | -171.7 | 0 | 0 | 112.4 | L194 R232 I233 L234 H240 | L194-E236 VanDerWaalsContact CB-OE2 3.23Å; L194-E236 WeakPolarHBondContact CB-OE2 3.47Å; L194-E236 HydrophobicContact CD1-CB 3.96Å; L194-E236 HydrophobicContact CG-CB 4.45Å; L194-E236 WeakPolarHBondContact CG-OE2 3.38Å; L194-E236 PolarHBondContact N-OE2 2.75Å; R232-E236 HydrophobicContact CG-CG 4.36Å; R232-E236 VanDerWaalsContact CG-OE1 3.31Å; R232-E236 WeakPolarHBondContact CG-OE1 2.8Å; R232-E236 IonicContact CZ-OE1 2.72Å; R232-E236 IonicContact NE-OE1 2.69Å; R232-E236 PolarHBondContact NE-OE1 3.45Å; R232-E236 IonicContact NH2-OE1 3.77Å; R232-E236 WeakPolarHBondContact O-CB 3.33Å; R232-E236 VanDerWaalsContact O-CG 3.28Å; R232-E236 WeakPolarHBondContact O-CG 3.32Å; R232-E236 PolarHBondContact O-N 3.34Å; I233-E236 PolarHBondContact O-N 3.1Å; L234-E236 VanDerWaalsContact C-N 3.3Å; L234-E236 PolarHBondContact O-N 3.42Å; E236-H240 VanDerWaalsContact O-CB 3.31Å; E236-H240 WeakPolarHBondContact O-CB 3.19Å; E236-H240 PolarHBondContact O-N 2.95Å; E236-H240 VanDerWaalsContact O-N 3.08Å; E236-H240 PolarHBondContact O-ND1 3.21Å |
| 237 | I | 90.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.7 | -77.6 | 168.7 | 0 | 0 | 0 | 110.6 | L194 I233 L234 N241 I242 I244 | L194-I237 HydrophobicContact CD1-CG1 4.06Å; I233-I237 HydrophobicContact CG2-CD1 3.69Å; I233-I237 HydrophobicContact CG2-CG1 4.34Å; I233-I237 WeakPolarHBondContact O-CB 3.34Å; I233-I237 WeakPolarHBondContact O-CG1 3.14Å; I233-I237 PolarHBondContact O-N 2.59Å; L234-I237 PolarHBondContact O-N 2.87Å; I237-N241 PolarHBondContact O-N 3.44Å; I237-N241 VanDerWaalsContact O-N 3.11Å; I237-I242 HydrophobicContact CG2-CB 4.16Å; I237-I242 WeakPolarHBondContact CG2-O 3.35Å; I237-I242 PolarHBondContact O-N 2.89Å; I237-I244 HydrophobicContact CD1-CG2 4.19Å; I237-I244 HydrophobicContact CG2-CG2 4.28Å |
| 238 | E | 90.6 | Very high | 88.6 | Confident | 143 Ų | 143 | 72 Ų | 72 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.8 | -47.3 | 178.1 | -72 | -175.7 | -177.3 | 0 | 0 | 111.5 | L234 D235 H240 N241 | L234-E238 PolarHBondContact O-N 2.99Å; D235-E238 PolarHBondContact O-N 3.11Å; E238-H240 PolarHBondContact O-N 3.23Å; E238-N241 PolarHBondContact O-N 3.32Å |
| 239 | E | 93.4 | Very high | 87.4 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56 | -41.5 | 177.4 | -175.9 | -178.4 | -176.9 | 0 | 0 | 111.6 | D235 N241 | D235-E239 WeakPolarHBondContact O-CB 3.42Å; D235-E239 PolarHBondContact O-N 3.25Å; E239-N241 VanDerWaalsContact C-N 3.31Å; E239-N241 PolarHBondContact O-N 3Å; E239-N241 PolarHBondContact O-ND2 3.07Å |
| 240 | H | 90.1 | Very high | 86.1 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 27% | 0.269 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.3 | -178.7 | -70.6 | 86.5 | 0 | 0 | 0 | 113.7 | V199 K203 E236 E238 I242 | V199-H240 HydrophobicContact CG1-CB 4.14Å; V199-H240 WeakPolarHBondContact CG1-CD2 3.48Å; K203-H240 WeakPolarHBondContact CE-O 3.42Å; K203-H240 PolarHBondContact NZ-O 2.91Å; E236-H240 VanDerWaalsContact O-CB 3.31Å; E236-H240 WeakPolarHBondContact O-CB 3.19Å; E236-H240 PolarHBondContact O-N 2.95Å; E236-H240 VanDerWaalsContact O-N 3.08Å; E236-H240 PolarHBondContact O-ND1 3.21Å; E238-H240 PolarHBondContact O-N 3.23Å; H240-I242 VanDerWaalsContact C-N 3.28Å; H240-I242 HydrophobicContact CB-CD1 3.9Å; H240-I242 HydrophobicContact CB-CG1 3.96Å; H240-I242 PolarHBondContact O-N 3.32Å |
| 241 | N | 91.4 | Very high | 84.9 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 67% | 0.674 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.5 | -176.5 | -64.1 | -86.9 | 0 | 0 | 0 | 112.7 | I237 E238 E239 | I237-N241 PolarHBondContact O-N 3.44Å; I237-N241 VanDerWaalsContact O-N 3.11Å; E238-N241 PolarHBondContact O-N 3.32Å; E239-N241 VanDerWaalsContact C-N 3.31Å; E239-N241 PolarHBondContact O-N 3Å; E239-N241 PolarHBondContact O-ND2 3.07Å |
| 242 | I | 90.2 | Very high | 83.4 | Confident | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | trans | -81.6 | 127.4 | 176.4 | -64.2 | 167.4 | 0 | 0 | 0 | 108.3 | V199 M202 K203 I237 H240 I244 | V199-I242 HydrophobicContact CG1-CD1 4.4Å; M202-I242 HydrophobicContact CB-CD1 3.93Å; M202-I242 HydrophobicContact CB-CG1 4.4Å; M202-I242 HydrophobicContact CB-CG2 3.81Å; M202-I242 HydrophobicContact CE-CD1 4.14Å; M202-I242 HydrophobicContact SD-CG2 4.44Å; K203-I242 HydrophobicContact CG-CD1 4.44Å; K203-I242 HydrophobicContact CG-CG1 3.92Å; I237-I242 HydrophobicContact CG2-CB 4.16Å; I237-I242 WeakPolarHBondContact CG2-O 3.35Å; I237-I242 PolarHBondContact O-N 2.89Å; H240-I242 VanDerWaalsContact C-N 3.28Å; H240-I242 HydrophobicContact CB-CD1 3.9Å; H240-I242 HydrophobicContact CB-CG1 3.96Å; H240-I242 PolarHBondContact O-N 3.32Å; I242-I244 HydrophobicContact CG2-CG2 4.2Å; I242-I244 PolarHBondContact O-N 3.05Å | ||
| 243 | K | 87.4 | Confident | 82.3 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | trans | -89.7 | 107.1 | 176.8 | -61.5 | 177.2 | -176.1 | 173.4 | 0 | 107.5 | H206 | H206-K243 HydrophobicContact CB-CB 4.26Å; H206-K243 WeakPolarHBondContact CB-O 3.39Å; H206-K243 PolarHBondContact ND1-N 3.21Å | ||
| 244 | I | 88.8 | Confident | 81.5 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 9% | 0.087 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 165.1 | 169.9 | 60 | 171.8 | 0 | 0 | 0 | 109.4 | P213 I237 I242 H246 I269 | P213-I244 HydrophobicContact CG-CD1 4.39Å; P213-I244 HydrophobicContact CG-CG2 4.32Å; I237-I244 HydrophobicContact CD1-CG2 4.19Å; I237-I244 HydrophobicContact CG2-CG2 4.28Å; I242-I244 HydrophobicContact CG2-CG2 4.2Å; I242-I244 PolarHBondContact O-N 3.05Å; I244-H246 PolarHBondContact O-CD2 3.45Å; I244-H246 VanDerWaalsContact O-CD2 3.23Å; I244-H246 PolarHBondContact O-N 3.18Å; I244-I269 HydrophobicContact CD1-CG2 4.06Å |
| 245 | Y | 86.5 | Confident | 80.9 | Confident | 10 Ų | 10 | 80.6 Ų | 80.6 | 4% | 0.039 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 120.5 | 170.8 | 175.2 | -97.1 | 0 | 0 | 0 | 109.5 | N210 I211 L247 P248 M313 D320 L321 V324 | N210-Y245 HydrophobicContact CB-CD2 4.12Å; N210-Y245 HydrophobicContact CB-CG 4.4Å; I211-Y245 PolarHBondContact O-N 2.96Å; Y245-L247 HydrophobicContact CE1-CG 4.09Å; Y245-P248 WeakPolarHBondContact OH-CD 3.11Å; Y245-M313 HydrophobicContact CD1-CE 3.41Å; Y245-M313 VanDerWaalsContact CD1-CE 3.41Å; Y245-M313 HydrophobicContact CE1-CE 3.13Å; Y245-D320 VanDerWaalsContact CE2-OD2 3.31Å; Y245-D320 WeakPolarHBondContact CE2-OD2 3.5Å; Y245-D320 VanDerWaalsContact CZ-OD2 3.28Å; Y245-D320 PolarHBondContact OH-OD2 3.23Å; Y245-L321 HydrophobicContact CD1-CD2 4.06Å; Y245-L321 HydrophobicContact CD2-CD2 3.44Å; Y245-L321 VanDerWaalsContact CD2-CD2 3.44Å; Y245-L321 HydrophobicContact CD2-CG 4.49Å; Y245-L321 HydrophobicContact CE1-CD2 4.08Å; Y245-L321 HydrophobicContact CE2-CD2 3.45Å; Y245-L321 VanDerWaalsContact CE2-CD2 3.45Å; Y245-L321 HydrophobicContact CE2-CG 4.04Å; Y245-L321 HydrophobicContact CG-CD2 3.74Å; Y245-V324 HydrophobicContact CE2-CG2 4.42Å |
| 246 | H | 78.4 | Confident | 80.3 | Confident | 138 Ų | 138 | 83.2 Ų | 83.2 | 64% | 0.639 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 128.1 | 171 | -67 | -75.1 | 0 | 0 | 0 | 107.8 | I244 | I244-H246 PolarHBondContact O-CD2 3.45Å; I244-H246 VanDerWaalsContact O-CD2 3.23Å; I244-H246 PolarHBondContact O-N 3.18Å |
| 247 | L | 75.2 | Confident | 79.7 | Confident | 4 Ų | 4 | 88 Ų | 88 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 140.9 | 172.6 | -57.3 | 111.5 | 0 | 0 | 0 | 108.7 | Y245 K266 I269 M313 H317 | Y245-L247 HydrophobicContact CE1-CG 4.09Å; L247-K266 HydrophobicContact CB-CG 4.25Å; L247-K266 HydrophobicContact CD1-CB 4.43Å; L247-K266 HydrophobicContact CD1-CG 3.6Å; L247-K266 WeakPolarHBondContact O-CE 3.42Å; L247-K266 PolarHBondContact O-NZ 2.96Å; L247-I269 HydrophobicContact CD1-CD1 3.55Å; L247-M313 HydrophobicContact CD2-CE 4.29Å; L247-M313 HydrophobicContact CD2-CG 3.67Å; L247-M313 HydrophobicContact CG-CE 4.47Å; L247-H317 WeakPolarHBondContact CD2-CD2 3.44Å; L247-H317 VanDerWaalsContact CD2-NE2 3.26Å; L247-H317 WeakPolarHBondContact CD2-NE2 3.44Å |
| 248 | P | 74.7 | Confident | 79.1 | Confident | 52 Ų | 52 | 90.6 Ų | 90.6 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 146.6 | 173.3 | 19.3 | -30.3 | 0 | 0 | 0 | 110.6 | Y245 K266 | Y245-P248 WeakPolarHBondContact OH-CD 3.11Å; P248-K266 WeakPolarHBondContact O-CE 3.5Å; P248-K266 PolarHBondContact O-NZ 3.49Å; P248-K266 VanDerWaalsContact O-NZ 3.07Å |
| 249 | D | 68.6 | Low | 78.5 | Confident | 138 Ų | 138 | 86.2 Ų | 86.2 | 74% | 0.738 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 132.1 | 170 | -75 | -42.5 | 0 | 0 | 0 | 108.5 | E251 K266 | D249-E251 PolarHBondContact O-N 3.24Å; D249-K266 IonicContact OD1-NZ 2.84Å; D249-K266 PolarHBondContact OD1-NZ 2.91Å |
| 250 | A | 62.3 | Low | 77.9 | Confident | 31 Ų | 31 | 84 Ų | 84 | 26% | 0.256 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 130.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E254 F258 K259 | A250-E254 WeakPolarHBondContact CA-OE2 3.44Å; A250-E254 WeakPolarHBondContact CB-OE2 3.28Å; A250-F258 HydrophobicContact CB-CD1 4.45Å; A250-K259 HydrophobicContact CB-CB 4.34Å; A250-K259 HydrophobicContact CB-CG 3.67Å |
| 251 | E | 65.9 | Low | 77.4 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 154.1 | -176.9 | -65.1 | -174.6 | 171.8 | 0 | 0 | 110.1 | D249 D253 E254 K259 | D249-E251 PolarHBondContact O-N 3.24Å; E251-D253 PolarHBondContact O-N 2.98Å; E251-E254 HydrophobicContact CB-CG 4.2Å; E251-E254 PolarHBondContact N-OE2 3Å; E251-E254 VanDerWaalsContact N-OE2 3.1Å; E251-E254 PolarHBondContact O-N 3.08Å; E251-E254 VanDerWaalsContact O-N 3.15Å; E251-K259 WeakPolarHBondContact O-CE 3.41Å |
| 252 | S | 60.3 | Low | 76.8 | Confident | 98 Ų | 98 | 81.1 Ų | 81.1 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.2 | -179.1 | 52.4 | 0 | 0 | 0 | 0 | 113 | K259 | S252-K259 PolarHBondContact O-NZ 3.48Š|
| 253 | D | 69.1 | Low | 76.5 | Confident | 144 Ų | 144 | 88 Ų | 88 | 77% | 0.77 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.8 | -172 | -59.7 | 2.2 | 0 | 0 | 0 | 112.2 | E251 | E251-D253 PolarHBondContact O-N 2.98Š|
| 254 | E | 73.5 | Confident | 76.3 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 32% | 0.318 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -82.9 | 154.1 | 176.5 | -65.7 | -176.7 | 143.4 | 0 | 0 | 112.7 | A250 E251 F258 K259 | A250-E254 WeakPolarHBondContact CA-OE2 3.44Å; A250-E254 WeakPolarHBondContact CB-OE2 3.28Å; E251-E254 HydrophobicContact CB-CG 4.2Å; E251-E254 PolarHBondContact N-OE2 3Å; E251-E254 VanDerWaalsContact N-OE2 3.1Å; E251-E254 PolarHBondContact O-N 3.08Å; E251-E254 VanDerWaalsContact O-N 3.15Å; E254-F258 HydrophobicContact CB-CD1 4.14Å; E254-F258 VanDerWaalsContact CD-CE1 3.5Å; E254-F258 HydrophobicContact CG-CD1 4.37Å; E254-F258 WeakPolarHBondContact OE1-CE1 3.31Å; E254-F258 WeakPolarHBondContact OE2-CD1 3.36Å; E254-F258 WeakPolarHBondContact OE2-CE1 3.21Å; E254-K259 VanDerWaalsContact O-CE 3.23Å; E254-K259 WeakPolarHBondContact O-CE 3.39Å; E254-K259 PolarHBondContact O-NZ 3.38Å |
| 255 | D | 78.8 | Confident | 76.1 | Confident | 127 Ų | 127 | 86.3 Ų | 86.3 | 68% | 0.679 | 44% | 0.436 | S | S | * | . | trans | -55.9 | 140.8 | 179.4 | -64.3 | -43.1 | 0 | 0 | 0 | 111.9 | D257 F258 K259 | D255-D257 PolarHBondContact O-N 3.32Å; D255-F258 HydrophobicContact CB-CB 4.34Å; D255-F258 WeakPolarHBondContact O-CB 3.46Å; D255-F258 PolarHBondContact O-N 2.92Å; D255-K259 PolarHBondContact O-N 3.49Å | ||
| 256 | E | 78.9 | Confident | 75.9 | Confident | 142 Ų | 142 | 88.7 Ų | 88.7 | 66% | 0.664 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -56.2 | -36.8 | 177.3 | -74.2 | -65.2 | 142.6 | 0 | 0 | 112.3 | F258 K259 E260 | E256-F258 VanDerWaalsContact C-N 3.32Å; E256-F258 PolarHBondContact O-N 3.44Å; E256-K259 PolarHBondContact O-N 2.9Å; E256-K259 IonicContact OE1-NZ 4Å; E256-E260 PolarHBondContact O-N 2.75Å |
| 257 | D | 79.1 | Confident | 76.2 | Confident | 127 Ų | 127 | 85.9 Ų | 85.9 | 68% | 0.679 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 176 | -70.8 | -24.4 | 0 | 0 | 0 | 112 | D255 E260 Q261 | D255-D257 PolarHBondContact O-N 3.32Å; D257-E260 PolarHBondContact O-N 2.93Å; D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.48Å; D257-Q261 PolarHBondContact O-N 3.35Å |
| 258 | F | 77.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 86.2 Ų | 86.2 | 28% | 0.276 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.4 | -39 | 178 | -173.9 | -98.8 | 0 | 0 | 0 | 111.5 | A250 E254 D255 E256 E260 Q261 T262 T316 | A250-F258 HydrophobicContact CB-CD1 4.45Å; E254-F258 HydrophobicContact CB-CD1 4.14Å; E254-F258 VanDerWaalsContact CD-CE1 3.5Å; E254-F258 HydrophobicContact CG-CD1 4.37Å; E254-F258 WeakPolarHBondContact OE1-CE1 3.31Å; E254-F258 WeakPolarHBondContact OE2-CD1 3.36Å; E254-F258 WeakPolarHBondContact OE2-CE1 3.21Å; D255-F258 HydrophobicContact CB-CB 4.34Å; D255-F258 WeakPolarHBondContact O-CB 3.46Å; D255-F258 PolarHBondContact O-N 2.92Å; E256-F258 VanDerWaalsContact C-N 3.32Å; E256-F258 PolarHBondContact O-N 3.44Å; F258-E260 VanDerWaalsContact C-N 3.35Å; F258-Q261 PolarHBondContact O-N 2.66Å; F258-T262 WeakPolarHBondContact O-CB 3.22Å; F258-T262 PolarHBondContact O-N 3.2Å; F258-T262 PolarHBondContact O-OG1 3.28Å; F258-T316 HydrophobicContact CE2-CG2 4.39Å; F258-T316 HydrophobicContact CZ-CG2 4.46Å |
| 259 | K | 78.8 | Confident | 77.2 | Confident | 50 Ų | 50 | 84.5 Ų | 84.5 | 22% | 0.217 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 171.8 | -71.9 | 173.3 | 179.6 | 148.3 | 0 | 111.3 | A250 E251 S252 E254 D255 E256 T262 R263 | A250-K259 HydrophobicContact CB-CB 4.34Å; A250-K259 HydrophobicContact CB-CG 3.67Å; E251-K259 WeakPolarHBondContact O-CE 3.41Å; S252-K259 PolarHBondContact O-NZ 3.48Å; E254-K259 VanDerWaalsContact O-CE 3.23Å; E254-K259 WeakPolarHBondContact O-CE 3.39Å; E254-K259 PolarHBondContact O-NZ 3.38Å; D255-K259 PolarHBondContact O-N 3.49Å; E256-K259 PolarHBondContact O-N 2.9Å; E256-K259 IonicContact OE1-NZ 4Å; K259-T262 PolarHBondContact O-N 3.21Å; K259-R263 WeakPolarHBondContact O-CB 3.23Å; K259-R263 PolarHBondContact O-N 3.1Å |
| 260 | E | 80.9 | Confident | 78.1 | Confident | 96 Ų | 96 | 78 Ų | 78 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 178.3 | -175.6 | 150.1 | -142.2 | 0 | 0 | 111.9 | E256 D257 F258 T262 R263 L264 | E256-E260 PolarHBondContact O-N 2.75Å; D257-E260 PolarHBondContact O-N 2.93Å; F258-E260 VanDerWaalsContact C-N 3.35Å; E260-T262 PolarHBondContact O-N 3.11Å; E260-R263 PolarHBondContact O-N 3.19Å; E260-R263 IonicContact OE1-CZ 2.65Å; E260-R263 IonicContact OE1-NH2 3.18Å; E260-R263 PolarHBondContact OE1-NH2 3.43Å; E260-L264 HydrophobicContact CG-CD1 4.19Å; E260-L264 HydrophobicContact CG-CG 4.48Å; E260-L264 WeakPolarHBondContact O-CB 3.42Å; E260-L264 VanDerWaalsContact O-CG 3.26Å; E260-L264 WeakPolarHBondContact O-CG 3.28Å; E260-L264 PolarHBondContact O-N 2.95Å |
| 261 | Q | 79.5 | Confident | 79.5 | Confident | 118 Ų | 118 | 76.5 Ų | 76.5 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59 | -46.7 | 173 | -78.1 | -173.9 | -4.2 | 0 | 0 | 112.2 | D257 F258 R263 L264 L265 | D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.48Å; D257-Q261 PolarHBondContact O-N 3.35Å; F258-Q261 PolarHBondContact O-N 2.66Å; Q261-R263 VanDerWaalsContact C-N 3.33Å; Q261-R263 PolarHBondContact O-N 3.09Å; Q261-L264 PolarHBondContact O-N 3.38Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.37Å |
| 262 | T | 79.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.6 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | F258 K259 E260 L264 L265 K266 | F258-T262 WeakPolarHBondContact O-CB 3.22Å; F258-T262 PolarHBondContact O-N 3.2Å; F258-T262 PolarHBondContact O-OG1 3.28Å; K259-T262 PolarHBondContact O-N 3.21Å; E260-T262 PolarHBondContact O-N 3.11Å; T262-L264 PolarHBondContact O-N 3.36Å; T262-L265 PolarHBondContact O-N 2.5Å; T262-K266 WeakPolarHBondContact O-CG 3.44Å; T262-K266 PolarHBondContact O-N 2.89Å |
| 263 | R | 82.9 | Confident | 82.3 | Confident | 153 Ų | 153 | 65.5 Ų | 65.5 | 58% | 0.577 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 174.5 | -171.2 | -174.9 | 69.5 | -172.1 | -2.2 | 112 | K259 E260 Q261 L265 K266 A267 | K259-R263 WeakPolarHBondContact O-CB 3.23Å; K259-R263 PolarHBondContact O-N 3.1Å; E260-R263 PolarHBondContact O-N 3.19Å; E260-R263 IonicContact OE1-CZ 2.65Å; E260-R263 IonicContact OE1-NH2 3.18Å; E260-R263 PolarHBondContact OE1-NH2 3.43Å; Q261-R263 VanDerWaalsContact C-N 3.33Å; Q261-R263 PolarHBondContact O-N 3.09Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 2.93Å; R263-K266 PolarHBondContact O-N 3.37Å; R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.01Å |
| 264 | L | 83.9 | Confident | 83.3 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 49% | 0.492 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 177.4 | -72.6 | 169.9 | 0 | 0 | 0 | 112.1 | E260 Q261 T262 S268 | E260-L264 HydrophobicContact CG-CD1 4.19Å; E260-L264 HydrophobicContact CG-CG 4.48Å; E260-L264 WeakPolarHBondContact O-CB 3.42Å; E260-L264 VanDerWaalsContact O-CG 3.26Å; E260-L264 WeakPolarHBondContact O-CG 3.28Å; E260-L264 PolarHBondContact O-N 2.95Å; Q261-L264 PolarHBondContact O-N 3.38Å; T262-L264 PolarHBondContact O-N 3.36Å; L264-S268 WeakPolarHBondContact O-CB 3.42Å; L264-S268 PolarHBondContact O-N 2.84Å; L264-S268 VanDerWaalsContact O-N 3.15Å; L264-S268 PolarHBondContact O-OG 2.98Å |
| 265 | L | 83.9 | Confident | 84 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 173.7 | -71.3 | 171.6 | 0 | 0 | 0 | 110.9 | Q261 T262 R263 A267 S268 I269 F271 K309 M313 | Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.37Å; T262-L265 PolarHBondContact O-N 2.5Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 2.93Å; L265-A267 PolarHBondContact O-N 3.42Å; L265-S268 PolarHBondContact O-N 3.47Å; L265-I269 PolarHBondContact O-N 2.99Å; L265-F271 HydrophobicContact CD2-CE1 4.47Å; L265-K309 HydrophobicContact CD2-CB 3.75Å; L265-K309 HydrophobicContact CD2-CG 4.24Å; L265-M313 HydrophobicContact CD2-CB 4.4Å |
| 266 | K | 83.1 | Confident | 84.3 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 176.2 | -72.7 | -175.9 | -176.5 | -164.2 | 0 | 111.9 | L247 P248 D249 T262 R263 S268 I269 | L247-K266 HydrophobicContact CB-CG 4.25Å; L247-K266 HydrophobicContact CD1-CB 4.43Å; L247-K266 HydrophobicContact CD1-CG 3.6Å; L247-K266 WeakPolarHBondContact O-CE 3.42Å; L247-K266 PolarHBondContact O-NZ 2.96Å; P248-K266 WeakPolarHBondContact O-CE 3.5Å; P248-K266 PolarHBondContact O-NZ 3.49Å; P248-K266 VanDerWaalsContact O-NZ 3.07Å; D249-K266 IonicContact OD1-NZ 2.84Å; D249-K266 PolarHBondContact OD1-NZ 2.91Å; T262-K266 WeakPolarHBondContact O-CG 3.44Å; T262-K266 PolarHBondContact O-N 2.89Å; R263-K266 PolarHBondContact O-N 3.37Å; K266-S268 PolarHBondContact O-N 3.38Å; K266-I269 PolarHBondContact O-N 2.97Å |
| 267 | A | 84.4 | Confident | 84.4 | Confident | 79 Ų | 79 | 47.7 Ų | 47.7 | 65% | 0.653 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.3 | -19.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R263 L265 | R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.01Å; L265-A267 PolarHBondContact O-N 3.42Å |
| 268 | S | 83.9 | Confident | 84.5 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.2 | -179.7 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | K230 L264 L265 K266 P270 K309 | K230-S268 PolarHBondContact NZ-O 2.74Å; L264-S268 WeakPolarHBondContact O-CB 3.42Å; L264-S268 PolarHBondContact O-N 2.84Å; L264-S268 VanDerWaalsContact O-N 3.15Å; L264-S268 PolarHBondContact O-OG 2.98Å; L265-S268 PolarHBondContact O-N 3.47Å; K266-S268 PolarHBondContact O-N 3.38Å; S268-P270 CarbonylContact O-C 3.53Å; S268-K309 WeakPolarHBondContact OG-CD 3.22Å; S268-K309 PolarHBondContact OG-NZ 3.13Å |
| 269 | I | 85.6 | Confident | 84.7 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 134.3 | 175.2 | -64.7 | 175.9 | 0 | 0 | 0 | 109.7 | P213 I244 L247 L265 K266 F271 | P213-I269 HydrophobicContact CG-CG2 4.17Å; I244-I269 HydrophobicContact CD1-CG2 4.06Å; L247-I269 HydrophobicContact CD1-CD1 3.55Å; L265-I269 PolarHBondContact O-N 2.99Å; K266-I269 PolarHBondContact O-N 2.97Å; I269-F271 HydrophobicContact CD1-CE2 4.44Å; I269-F271 HydrophobicContact CD1-CZ 4.46Å; I269-F271 HydrophobicContact CG1-CD2 4.45Å; I269-F271 HydrophobicContact CG1-CE1 4.38Å; I269-F271 HydrophobicContact CG1-CE2 3.85Å; I269-F271 HydrophobicContact CG1-CZ 3.8Å |
| 270 | P | 88.9 | Confident | 85 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | cis | -74.1 | 141.4 | -3.4 | 29.6 | -35 | 0 | 0 | 0 | 112.8 | P213 I215 K230 I233 S268 S272 | P213-P270 HydrophobicContact CB-CB 4.05Å; P213-P270 HydrophobicContact CG-CB 4.03Å; P213-P270 WeakPolarHBondContact O-CB 3.19Å; I215-P270 HydrophobicContact CD1-CB 4.48Å; I215-P270 HydrophobicContact CD1-CG 3.92Å; I215-P270 HydrophobicContact CG1-CB 4.34Å; I215-P270 HydrophobicContact CG1-CG 4.24Å; K230-P270 HydrophobicContact CB-CG 4.45Å; K230-P270 WeakPolarHBondContact CE-O 3.26Å; K230-P270 HydrophobicContact CG-CG 4.12Å; K230-P270 PolarHBondContact NZ-O 2.95Å; K230-P270 VanDerWaalsContact NZ-O 3.1Å; I233-P270 HydrophobicContact CB-CG 4.29Å; I233-P270 HydrophobicContact CD1-CG 4.28Å; I233-P270 HydrophobicContact CG2-CG 4.01Å; S268-P270 CarbonylContact O-C 3.53Å; P270-S272 PolarHBondContact O-N 3.19Å |
| 271 | F | 91.3 | Very high | 85 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 128 | -176.6 | -61.9 | -70.2 | 0 | 0 | 0 | 110.8 | V212 P213 V214 I215 L265 I269 V273 D306 K309 L310 M313 | V212-F271 HydrophobicContact CG1-CD2 4.11Å; V212-F271 HydrophobicContact CG1-CE2 4.23Å; P213-F271 PolarHBondContact O-N 3.21Å; V214-F271 CarbonylContact C-O 3.57Å; V214-F271 WeakPolarHBondContact CA-O 3.4Å; I215-F271 PolarHBondContact N-O 3.05Å; L265-F271 HydrophobicContact CD2-CE1 4.47Å; I269-F271 HydrophobicContact CD1-CE2 4.44Å; I269-F271 HydrophobicContact CD1-CZ 4.46Å; I269-F271 HydrophobicContact CG1-CD2 4.45Å; I269-F271 HydrophobicContact CG1-CE1 4.38Å; I269-F271 HydrophobicContact CG1-CE2 3.85Å; I269-F271 HydrophobicContact CG1-CZ 3.8Å; F271-V273 HydrophobicContact CB-CG1 4.19Å; F271-D306 HydrophobicContact CB-CB 4.32Å; F271-D306 HydrophobicContact CD1-CB 4.11Å; F271-K309 HydrophobicContact CD1-CB 4.11Å; F271-K309 HydrophobicContact CE1-CB 3.92Å; F271-L310 HydrophobicContact CB-CB 4.34Å; F271-L310 HydrophobicContact CB-CD1 4.5Å; F271-L310 HydrophobicContact CD2-CB 4.4Å; F271-L310 HydrophobicContact CD2-CD1 3.62Å; F271-L310 HydrophobicContact CE2-CD1 4.09Å; F271-L310 HydrophobicContact CG-CB 4.2Å; F271-L310 HydrophobicContact CG-CD1 4.21Å; F271-M313 HydrophobicContact CE2-CB 4.49Å; F271-M313 HydrophobicContact CE2-CG 4.27Å; F271-M313 HydrophobicContact CE2-SD 4.43Å; F271-M313 HydrophobicContact CZ-CB 4.09Å; F271-M313 HydrophobicContact CZ-CG 4.1Å |
| 272 | S | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 110.7 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | R226 P270 D306 | R226-S272 PolarHBondContact NE-OG 3.05Å; R226-S272 PolarHBondContact NH2-OG 2.85Å; P270-S272 PolarHBondContact O-N 3.19Å; S272-D306 PolarHBondContact N-OD2 3.35Å; S272-D306 PolarHBondContact O-N 3.41Å; S272-D306 PolarHBondContact OG-OD2 2.88Å; S272-D306 VanDerWaalsContact OG-OD2 3.11Å |
| 273 | V | 92 | Very high | 84.5 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | trans | -118 | 154.6 | -166.8 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | L87 V214 I215 K217 A218 F271 L310 | L87-V273 HydrophobicContact CD1-CB 3.87Å; L87-V273 HydrophobicContact CD1-CG2 3.65Å; L87-V273 HydrophobicContact CD2-CG2 3.83Å; L87-V273 HydrophobicContact CG-CG2 4.39Å; V214-V273 HydrophobicContact CG1-CB 4.28Å; V214-V273 HydrophobicContact CG1-CG1 4.02Å; V214-V273 HydrophobicContact CG1-CG2 3.3Å; I215-V273 PolarHBondContact O-N 3.15Å; K217-V273 PolarHBondContact N-O 3.08Å; A218-V273 WeakPolarHBondContact CB-O 3.35Å; A218-V273 PolarHBondContact N-O 3.27Å; F271-V273 HydrophobicContact CB-CG1 4.19Å; V273-L310 HydrophobicContact CG1-CB 4.23Å; V273-L310 HydrophobicContact CG1-CD2 3.79Å | ||
| 274 | V | 91.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -128.1 | 128.5 | 171.9 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | A218 D219 R290 V297 V299 N305 | A218-V274 HydrophobicContact CB-CG2 4.05Å; D219-V274 HydrophobicContact CB-CG1 4.45Å; D219-V274 HydrophobicContact CB-CG2 3.87Å; V274-R290 HydrophobicContact CG1-CG 4.21Å; V274-V297 HydrophobicContact CG1-CG1 4.35Å; V274-V299 HydrophobicContact CG1-CG2 4.37Å; V274-V299 VanDerWaalsContact O-CG1 3.3Å; V274-V299 WeakPolarHBondContact O-CG1 3.1Å; V274-N305 HydrophobicContact CB-CB 4.39Å; V274-N305 HydrophobicContact CG2-CB 3.96Å | ||
| 275 | G | 86.8 | Confident | 84.2 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | trans | -105.3 | 144.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 276 | S | 85.6 | Confident | 84.1 | Confident | 8 Ų | 8 | 62 Ų | 62 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | trans | -150.9 | 134.6 | 170.4 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | S90 Q278 G289 | S90-S276 PolarHBondContact OG-N 2.99Å; S90-S276 VanDerWaalsContact OG-N 3.16Å; S90-S276 PolarHBondContact OG-O 3.26Å; S276-Q278 PolarHBondContact OG-N 2.84Å; S276-G289 WeakPolarHBondContact CB-O 3.2Å; S276-G289 PolarHBondContact OG-O 2.9Å | ||
| 277 | N | 80.8 | Confident | 84.2 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | trans | -93.6 | -7.7 | 170.9 | -64.5 | 1.4 | 0 | 0 | 0 | 111.9 | ||||
| 278 | Q | 81.1 | Confident | 84.1 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 60% | 0.603 | 30% | 0.301 | S | S | * | . | trans | -87.6 | 133.5 | -178.4 | -67 | -172.8 | -0.8 | 0 | 0 | 111.1 | S276 R288 G289 | S276-Q278 PolarHBondContact OG-N 2.84Å; Q278-R288 WeakPolarHBondContact O-CA 3.49Å; Q278-G289 PolarHBondContact O-N 2.59Å | ||
| 279 | L | 81.8 | Confident | 84.2 | Confident | 118 Ų | 118 | 59 Ų | 59 | 62% | 0.618 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127 | 169.6 | -69.2 | 172 | 0 | 0 | 0 | 109.1 | R288 | L279-R288 HydrophobicContact CD2-CG 3.67Å |
| 280 | I | 84.8 | Confident | 84.3 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 152.2 | 179.3 | 50.7 | 152.5 | 0 | 0 | 0 | 108.9 | K286 V287 V296 | I280-K286 CarbonylContact O-C 3.55Å; I280-K286 WeakPolarHBondContact O-CA 3.39Å; I280-V287 HydrophobicContact CD1-CG2 4.13Å; I280-V287 HydrophobicContact CG1-CG2 4.09Å; I280-V287 WeakPolarHBondContact CG1-O 3.41Å; I280-V287 PolarHBondContact N-O 3.04Å; I280-V287 PolarHBondContact O-N 3.33Å; I280-V287 VanDerWaalsContact O-O 3.08Å; I280-V296 HydrophobicContact CD1-CB 4.49Å; I280-V296 HydrophobicContact CD1-CG1 3.03Å; I280-V296 HydrophobicContact CG1-CG1 4.46Å |
| 281 | E | 81.6 | Confident | 84.3 | Confident | 146 Ų | 146 | 67.4 Ų | 67.4 | 68% | 0.682 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 107.2 | 175.5 | -167.5 | 171.4 | 172.8 | 0 | 0 | 109.4 | ||
| 282 | A | 74.9 | Confident | 84.2 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | G284 K285 V287 E298 | A282-G284 PolarHBondContact O-N 3.01Å; A282-G284 VanDerWaalsContact O-N 3.12Å; A282-K285 PolarHBondContact N-O 3.44Å; A282-K285 PolarHBondContact O-N 3.44Å; A282-V287 HydrophobicContact CB-CG2 3.61Å; A282-E298 HydrophobicContact CB-CG 4.28Å; A282-E298 WeakPolarHBondContact CB-OE1 3.49Å |
| 283 | K | 73.9 | Confident | 84.2 | Confident | 208 Ų | 208 | 76.1 Ų | 76.1 | 90% | 0.904 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.2 | 178.2 | -58.6 | 177 | 179.9 | 172.3 | 0 | 113.8 | K285 | K283-K285 VanDerWaalsContact C-N 3.32Å; K283-K285 PolarHBondContact O-N 3.07Å |
| 284 | G | 78.1 | Confident | 84.1 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 63% | 0.629 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 6.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A282 | A282-G284 PolarHBondContact O-N 3.01Å; A282-G284 VanDerWaalsContact O-N 3.12Å |
| 285 | K | 81.6 | Confident | 83.9 | Confident | 157 Ų | 157 | 87.1 Ų | 87.1 | 68% | 0.683 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.4 | 170.5 | -72 | -176.2 | 179.6 | 178.9 | 0 | 110.2 | A282 K283 V287 | A282-K285 PolarHBondContact N-O 3.44Å; A282-K285 PolarHBondContact O-N 3.44Å; K283-K285 VanDerWaalsContact C-N 3.32Å; K283-K285 PolarHBondContact O-N 3.07Å; K285-V287 HydrophobicContact CB-CG1 4.16Å; K285-V287 PolarHBondContact O-N 2.83Å |
| 286 | K | 82.4 | Confident | 84 | Confident | 168 Ų | 168 | 89.3 Ų | 89.3 | 73% | 0.73 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 107.2 | 169.4 | -67.3 | -174 | -179.2 | -177.4 | 0 | 108.4 | I280 | I280-K286 CarbonylContact O-C 3.55Å; I280-K286 WeakPolarHBondContact O-CA 3.39Å |
| 287 | V | 84.8 | Confident | 84.2 | Confident | 26 Ų | 26 | 90.1 Ų | 90.1 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 157.8 | 179 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | I280 A282 K285 E298 | I280-V287 HydrophobicContact CD1-CG2 4.13Å; I280-V287 HydrophobicContact CG1-CG2 4.09Å; I280-V287 WeakPolarHBondContact CG1-O 3.41Å; I280-V287 PolarHBondContact N-O 3.04Å; I280-V287 PolarHBondContact O-N 3.33Å; I280-V287 VanDerWaalsContact O-O 3.08Å; A282-V287 HydrophobicContact CB-CG2 3.61Å; K285-V287 HydrophobicContact CB-CG1 4.16Å; K285-V287 PolarHBondContact O-N 2.83Å; V287-E298 HydrophobicContact CG2-CG 4Å |
| 288 | R | 83.4 | Confident | 84.6 | Confident | 59 Ų | 59 | 88 Ų | 88 | 22% | 0.223 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.4 | 172.7 | -68.8 | -180 | 179.9 | -158.8 | -0.6 | 109.2 | Q278 L279 V299 | Q278-R288 WeakPolarHBondContact O-CA 3.49Å; L279-R288 HydrophobicContact CD2-CG 3.67Å; R288-V299 HydrophobicContact CB-CB 4.45Å; R288-V299 PolarHBondContact O-N 3.13Å |
| 289 | G | 86.3 | Confident | 85 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 172 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | S276 Q278 V297 | S276-G289 WeakPolarHBondContact CB-O 3.2Å; S276-G289 PolarHBondContact OG-O 2.9Å; Q278-G289 PolarHBondContact O-N 2.59Å; G289-V297 CarbonylContact C-O 3.54Å; G289-V297 WeakPolarHBondContact CA-O 3.4Å |
| 290 | R | 87.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 80.3 Ų | 80.3 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.7 | 177.3 | -58.7 | -177.5 | 75.4 | -175.8 | 4.6 | 108.6 | D219 V274 Y292 V297 | D219-R290 IonicContact OD1-NH1 3.2Å; D219-R290 PolarHBondContact OD1-NH1 2.93Å; D219-R290 WeakPolarHBondContact OD2-CD 3.44Å; D219-R290 IonicContact OD2-CZ 3.36Å; D219-R290 IonicContact OD2-NE 3.58Å; D219-R290 IonicContact OD2-NH1 2.72Å; D219-R290 PolarHBondContact OD2-NH1 3.37Å; V274-R290 HydrophobicContact CG1-CG 4.21Å; R290-Y292 HydrophobicContact CB-CE2 3.95Å; R290-Y292 VanDerWaalsContact CZ-OH 3.31Å; R290-Y292 PolarHBondContact NH1-OH 2.92Å; R290-V297 PolarHBondContact N-O 3.31Å; R290-V297 PolarHBondContact O-N 3.5Å |
| 291 | L | 88.4 | Confident | 85.3 | Confident | 118 Ų | 118 | 81 Ų | 81 | 62% | 0.618 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.8 | 176.9 | 179.7 | 65.2 | 0 | 0 | 0 | 109.6 | V296 | L291-V296 HydrophobicContact CD1-CG2 3.64Å |
| 292 | Y | 89.8 | Confident | 85.6 | Confident | 53 Ų | 53 | 77.1 Ų | 77.1 | 21% | 0.208 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 158.7 | 170.7 | -67.4 | -74.8 | 0 | 0 | 0 | 110.1 | D219 R290 W294 G295 V297 | D219-Y292 PolarHBondContact OD2-OH 3.2Å; R290-Y292 HydrophobicContact CB-CE2 3.95Å; R290-Y292 VanDerWaalsContact CZ-OH 3.31Å; R290-Y292 PolarHBondContact NH1-OH 2.92Å; Y292-W294 VanDerWaalsContact CB-CE2 3.47Å; Y292-W294 AromaticContact CD1-CH2 3.76Å; Y292-W294 HydrophobicContact CD1-CH2 3.76Å; Y292-W294 AromaticContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD1-CZ2 3.46Å; Y292-W294 VanDerWaalsContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD2-CZ2 4.36Å; Y292-W294 HydrophobicContact CE1-CH2 4.47Å; Y292-W294 HydrophobicContact CE1-CZ2 4.15Å; Y292-W294 AromaticContact CG-CE2 3.78Å; Y292-W294 HydrophobicContact CG-CH2 4.25Å; Y292-W294 AromaticContact CG-CZ2 3.6Å; Y292-W294 HydrophobicContact CG-CZ2 3.6Å; Y292-W294 PolarHBondContact O-N 3.31Å; Y292-W294 VanDerWaalsContact O-N 3.16Å; Y292-G295 CarbonylContact C-O 3.5Å; Y292-G295 WeakPolarHBondContact CA-O 3.49Å; Y292-G295 WeakPolarHBondContact CB-O 3.21Å; Y292-G295 PolarHBondContact N-O 2.85Å; Y292-G295 PolarHBondContact O-N 3.06Å; Y292-G295 VanDerWaalsContact O-N 3.16Å; Y292-V297 HydrophobicContact CD2-CG2 4Å; Y292-V297 HydrophobicContact CE2-CG2 3.94Å |
| 293 | P | 90.6 | Very high | 86.1 | Confident | 130 Ų | 130 | 83.6 Ų | 83.6 | 84% | 0.844 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.3 | 175.8 | -25.8 | 34.8 | 0 | 0 | 0 | 113.9 | ||
| 294 | W | 89.6 | Confident | 86.7 | Confident | 206 Ų | 206 | 77.4 Ų | 77.4 | 78% | 0.78 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.2 | -178.9 | 53.9 | 84.7 | 0 | 0 | 0 | 114.4 | Y292 | Y292-W294 VanDerWaalsContact CB-CE2 3.47Å; Y292-W294 AromaticContact CD1-CH2 3.76Å; Y292-W294 HydrophobicContact CD1-CH2 3.76Å; Y292-W294 AromaticContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD1-CZ2 3.46Å; Y292-W294 VanDerWaalsContact CD1-CZ2 3.46Å; Y292-W294 HydrophobicContact CD2-CZ2 4.36Å; Y292-W294 HydrophobicContact CE1-CH2 4.47Å; Y292-W294 HydrophobicContact CE1-CZ2 4.15Å; Y292-W294 AromaticContact CG-CE2 3.78Å; Y292-W294 HydrophobicContact CG-CH2 4.25Å; Y292-W294 AromaticContact CG-CZ2 3.6Å; Y292-W294 HydrophobicContact CG-CZ2 3.6Å; Y292-W294 PolarHBondContact O-N 3.31Å; Y292-W294 VanDerWaalsContact O-N 3.16Å |
| 295 | G | 87.9 | Confident | 87.3 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -172.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y292 | Y292-G295 CarbonylContact C-O 3.5Å; Y292-G295 WeakPolarHBondContact CA-O 3.49Å; Y292-G295 WeakPolarHBondContact CB-O 3.21Å; Y292-G295 PolarHBondContact N-O 2.85Å; Y292-G295 PolarHBondContact O-N 3.06Å; Y292-G295 VanDerWaalsContact O-N 3.16Å |
| 296 | V | 89.2 | Confident | 87.7 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.7 | -169.1 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | I280 L291 | I280-V296 HydrophobicContact CD1-CB 4.49Å; I280-V296 HydrophobicContact CD1-CG1 3.03Å; I280-V296 HydrophobicContact CG1-CG1 4.46Å; L291-V296 HydrophobicContact CD1-CG2 3.64Å |
| 297 | V | 89.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 104.9 | 176 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | D219 V274 G289 R290 Y292 H304 | D219-V297 HydrophobicContact CB-CG1 4.35Å; D219-V297 HydrophobicContact CB-CG2 4.37Å; V274-V297 HydrophobicContact CG1-CG1 4.35Å; G289-V297 CarbonylContact C-O 3.54Å; G289-V297 WeakPolarHBondContact CA-O 3.4Å; R290-V297 PolarHBondContact N-O 3.31Å; R290-V297 PolarHBondContact O-N 3.5Å; Y292-V297 HydrophobicContact CD2-CG2 4Å; Y292-V297 HydrophobicContact CE2-CG2 3.94Å; V297-H304 HydrophobicContact CG1-CB 4.34Å |
| 298 | E | 89.6 | Confident | 88.3 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129.9 | 171.8 | -61.1 | 173.7 | -174.4 | 0 | 0 | 110.9 | A282 V287 N301 H304 N305 | A282-E298 HydrophobicContact CB-CG 4.28Å; A282-E298 WeakPolarHBondContact CB-OE1 3.49Å; V287-E298 HydrophobicContact CG2-CG 4Å; E298-N301 HydrophobicContact CB-CB 3.69Å; E298-N301 PolarHBondContact OE2-ND2 3.34Å; E298-H304 PolarHBondContact N-ND1 2.78Å; E298-N305 PolarHBondContact O-ND2 3.26Å; E298-N305 VanDerWaalsContact O-ND2 3.07Å |
| 299 | V | 88 | Confident | 88.6 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -38.1 | 180 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | V274 R288 N301 N305 F307 | V274-V299 HydrophobicContact CG1-CG2 4.37Å; V274-V299 VanDerWaalsContact O-CG1 3.3Å; V274-V299 WeakPolarHBondContact O-CG1 3.1Å; R288-V299 HydrophobicContact CB-CB 4.45Å; R288-V299 PolarHBondContact O-N 3.13Å; V299-N301 VanDerWaalsContact C-N 3.25Å; V299-N301 PolarHBondContact O-N 3.01Å; V299-N305 WeakPolarHBondContact CA-ND2 3.41Å; V299-N305 PolarHBondContact O-ND2 3.41Å; V299-N305 PolarHBondContact O-OD1 3.1Å; V299-N305 VanDerWaalsContact O-OD1 3.1Å; V299-F307 HydrophobicContact CG1-CB 4.16Å; V299-F307 HydrophobicContact CG1-CD1 3.55Å; V299-F307 HydrophobicContact CG1-CD2 4.17Å; V299-F307 HydrophobicContact CG1-CE1 3.9Å; V299-F307 HydrophobicContact CG1-CE2 4.49Å; V299-F307 HydrophobicContact CG1-CG 3.69Å; V299-F307 HydrophobicContact CG1-CZ 4.36Å |
| 300 | E | 85.9 | Confident | 88.8 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 7.2 | -177.1 | -61.7 | -177.5 | 161.6 | 0 | 0 | 113.4 | L308 | E300-L308 HydrophobicContact CB-CD2 4.42Å; E300-L308 WeakPolarHBondContact O-CD1 3.36Å |
| 301 | N | 88.1 | Confident | 88.8 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | trans | -94.8 | 117.8 | -179.1 | -168.3 | -31.1 | 0 | 0 | 0 | 110.7 | E298 V299 E303 H304 N305 | E298-N301 HydrophobicContact CB-CB 3.69Å; E298-N301 PolarHBondContact OE2-ND2 3.34Å; V299-N301 VanDerWaalsContact C-N 3.25Å; V299-N301 PolarHBondContact O-N 3.01Å; N301-E303 PolarHBondContact O-N 3.23Å; N301-E303 WeakPolarHBondContact OD1-CB 3.45Å; N301-E303 PolarHBondContact OD1-N 3.44Å; N301-E303 VanDerWaalsContact OD1-N 3.13Å; N301-H304 HydrophobicContact CB-CB 4.35Å; N301-H304 PolarHBondContact O-N 3Å; N301-H304 VanDerWaalsContact O-N 3.12Å; N301-N305 PolarHBondContact O-N 3.29Å | ||
| 302 | P | 87.1 | Confident | 88.7 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.5 | -176.1 | 27.7 | -35.2 | 0 | 0 | 0 | 113.5 | H304 N305 | P302-H304 VanDerWaalsContact C-N 3.3Å; P302-N305 WeakPolarHBondContact CA-O 3.43Å |
| 303 | E | 86.8 | Confident | 88.6 | Confident | 150 Ų | 150 | 55.2 Ų | 55.2 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.7 | 176.7 | -61.6 | -59.2 | 126 | 0 | 0 | 111.8 | N301 | N301-E303 PolarHBondContact O-N 3.23Å; N301-E303 WeakPolarHBondContact OD1-CB 3.45Å; N301-E303 PolarHBondContact OD1-N 3.44Å; N301-E303 VanDerWaalsContact OD1-N 3.13Å |
| 304 | H | 86.4 | Confident | 88.3 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 36% | 0.361 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -40 | 179.8 | -67.2 | 175.5 | 0 | 0 | 0 | 112.2 | V297 E298 N301 P302 | V297-H304 HydrophobicContact CG1-CB 4.34Å; E298-H304 PolarHBondContact N-ND1 2.78Å; N301-H304 HydrophobicContact CB-CB 4.35Å; N301-H304 PolarHBondContact O-N 3Å; N301-H304 VanDerWaalsContact O-N 3.12Å; P302-H304 VanDerWaalsContact C-N 3.3Å |
| 305 | N | 89.6 | Confident | 88 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -159.1 | 167.2 | -174.5 | 72.4 | 75.3 | 0 | 0 | 0 | 112.8 | V274 E298 V299 N301 P302 F307 | V274-N305 HydrophobicContact CB-CB 4.39Å; V274-N305 HydrophobicContact CG2-CB 3.96Å; E298-N305 PolarHBondContact O-ND2 3.26Å; E298-N305 VanDerWaalsContact O-ND2 3.07Å; V299-N305 WeakPolarHBondContact CA-ND2 3.41Å; V299-N305 PolarHBondContact O-ND2 3.41Å; V299-N305 PolarHBondContact O-OD1 3.1Å; V299-N305 VanDerWaalsContact O-OD1 3.1Å; N301-N305 PolarHBondContact O-N 3.29Å; P302-N305 WeakPolarHBondContact CA-O 3.43Å; N305-F307 WeakPolarHBondContact OD1-CA 3.42Å; N305-F307 WeakPolarHBondContact OD1-CB 3.31Å; N305-F307 PolarHBondContact OD1-N 2.87Å | ||
| 306 | D | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -93.6 | 20.6 | -179.2 | -64.6 | -36.7 | 0 | 0 | 0 | 113.6 | R226 K230 F271 S272 L308 K309 L310 | R226-D306 IonicContact CZ-OD2 3.78Å; R226-D306 IonicContact NH2-OD1 2.66Å; R226-D306 PolarHBondContact NH2-OD1 3Å; R226-D306 IonicContact NH2-OD2 3.75Å; R226-D306 PolarHBondContact NH2-OD2 3.04Å; K230-D306 IonicContact NZ-OD2 2.9Å; K230-D306 PolarHBondContact NZ-OD2 3.45Å; F271-D306 HydrophobicContact CB-CB 4.32Å; F271-D306 HydrophobicContact CD1-CB 4.11Å; S272-D306 PolarHBondContact N-OD2 3.35Å; S272-D306 PolarHBondContact O-N 3.41Å; S272-D306 PolarHBondContact OG-OD2 2.88Å; S272-D306 VanDerWaalsContact OG-OD2 3.11Å; D306-L308 PolarHBondContact O-N 3.06Å; D306-K309 HydrophobicContact CB-CB 4.25Å; D306-K309 HydrophobicContact CB-CD 4.2Å; D306-K309 WeakPolarHBondContact O-CB 3.42Å; D306-K309 PolarHBondContact O-N 3.48Å; D306-K309 VanDerWaalsContact O-N 3.11Å; D306-K309 WeakPolarHBondContact OD1-CD 3.16Å; D306-K309 WeakPolarHBondContact OD1-CE 3.16Å; D306-K309 IonicContact OD1-NZ 2.71Å; D306-K309 PolarHBondContact OD1-NZ 2.92Å; D306-L310 PolarHBondContact O-N 3.34Å |
| 307 | F | 90.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | -177.3 | 176.6 | -99.6 | 0 | 0 | 0 | 112.1 | L87 L91 V299 N305 K309 L310 R311 | L87-F307 HydrophobicContact CD1-CD2 3.6Å; L87-F307 HydrophobicContact CD1-CE2 3.68Å; L87-F307 HydrophobicContact CG-CE2 4.44Å; L91-F307 HydrophobicContact CB-CE2 4.37Å; L91-F307 HydrophobicContact CB-CZ 4.35Å; V299-F307 HydrophobicContact CG1-CB 4.16Å; V299-F307 HydrophobicContact CG1-CD1 3.55Å; V299-F307 HydrophobicContact CG1-CD2 4.17Å; V299-F307 HydrophobicContact CG1-CE1 3.9Å; V299-F307 HydrophobicContact CG1-CE2 4.49Å; V299-F307 HydrophobicContact CG1-CG 3.69Å; V299-F307 HydrophobicContact CG1-CZ 4.36Å; N305-F307 WeakPolarHBondContact OD1-CA 3.42Å; N305-F307 WeakPolarHBondContact OD1-CB 3.31Å; N305-F307 PolarHBondContact OD1-N 2.87Å; F307-K309 VanDerWaalsContact C-N 3.29Å; F307-K309 PolarHBondContact O-N 2.69Å; F307-L310 PolarHBondContact O-N 3.23Å; F307-R311 WeakPolarHBondContact O-CB 3.49Å; F307-R311 PolarHBondContact O-N 2.96Å |
| 308 | L | 88.8 | Confident | 87.2 | Confident | 58 Ų | 58 | 43 Ų | 43 | 30% | 0.304 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 175 | -73.3 | -175.4 | 0 | 0 | 0 | 111.5 | E300 D306 R311 T312 | E300-L308 HydrophobicContact CB-CD2 4.42Å; E300-L308 WeakPolarHBondContact O-CD1 3.36Å; D306-L308 PolarHBondContact O-N 3.06Å; L308-R311 PolarHBondContact O-N 3.47Å; L308-T312 WeakPolarHBondContact O-CB 3.44Å; L308-T312 PolarHBondContact O-N 2.87Å; L308-T312 PolarHBondContact O-OG1 2.82Å |
| 309 | K | 89.8 | Confident | 87 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 27% | 0.27 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 177.5 | -62.9 | -177.3 | -169.6 | 158.2 | 0 | 111.4 | L265 S268 F271 D306 F307 M313 | L265-K309 HydrophobicContact CD2-CB 3.75Å; L265-K309 HydrophobicContact CD2-CG 4.24Å; S268-K309 WeakPolarHBondContact OG-CD 3.22Å; S268-K309 PolarHBondContact OG-NZ 3.13Å; F271-K309 HydrophobicContact CD1-CB 4.11Å; F271-K309 HydrophobicContact CE1-CB 3.92Å; D306-K309 HydrophobicContact CB-CB 4.25Å; D306-K309 HydrophobicContact CB-CD 4.2Å; D306-K309 WeakPolarHBondContact O-CB 3.42Å; D306-K309 PolarHBondContact O-N 3.48Å; D306-K309 VanDerWaalsContact O-N 3.11Å; D306-K309 WeakPolarHBondContact OD1-CD 3.16Å; D306-K309 WeakPolarHBondContact OD1-CE 3.16Å; D306-K309 IonicContact OD1-NZ 2.71Å; D306-K309 PolarHBondContact OD1-NZ 2.92Å; F307-K309 VanDerWaalsContact C-N 3.29Å; F307-K309 PolarHBondContact O-N 2.69Å; K309-M313 WeakPolarHBondContact O-CB 3.43Å; K309-M313 PolarHBondContact O-N 3.28Å |
| 310 | L | 90 | Very high | 87 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.9 | 179.1 | 67 | 0 | 0 | 0 | 111.3 | L87 L91 F184 V212 V214 F271 V273 D306 F307 M313 L314 | L87-L310 HydrophobicContact CD2-CD2 3.98Å; L91-L310 HydrophobicContact CD1-CD2 4.48Å; F184-L310 HydrophobicContact CE1-CD1 4.26Å; F184-L310 HydrophobicContact CE2-CD1 4.44Å; F184-L310 HydrophobicContact CE2-CD2 4.22Å; F184-L310 HydrophobicContact CZ-CD1 3.92Å; F184-L310 HydrophobicContact CZ-CD2 4.48Å; F184-L310 HydrophobicContact CZ-CG 4.35Å; V212-L310 HydrophobicContact CG1-CD1 4.2Å; V214-L310 HydrophobicContact CG1-CD2 4.49Å; V214-L310 HydrophobicContact CG2-CD1 4.23Å; V214-L310 HydrophobicContact CG2-CD2 4.26Å; F271-L310 HydrophobicContact CB-CB 4.34Å; F271-L310 HydrophobicContact CB-CD1 4.5Å; F271-L310 HydrophobicContact CD2-CB 4.4Å; F271-L310 HydrophobicContact CD2-CD1 3.62Å; F271-L310 HydrophobicContact CE2-CD1 4.09Å; F271-L310 HydrophobicContact CG-CB 4.2Å; F271-L310 HydrophobicContact CG-CD1 4.21Å; V273-L310 HydrophobicContact CG1-CB 4.23Å; V273-L310 HydrophobicContact CG1-CD2 3.79Å; D306-L310 PolarHBondContact O-N 3.34Å; F307-L310 PolarHBondContact O-N 3.23Å; L310-M313 PolarHBondContact O-N 3.43Å; L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 PolarHBondContact O-N 3.01Å |
| 311 | R | 88.1 | Confident | 87.2 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 23% | 0.226 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 178.5 | -178.7 | 178.4 | 175.2 | -173.9 | -1.3 | 111.5 | F307 L308 L314 I315 | F307-R311 WeakPolarHBondContact O-CB 3.49Å; F307-R311 PolarHBondContact O-N 2.96Å; L308-R311 PolarHBondContact O-N 3.47Å; R311-L314 PolarHBondContact O-N 2.69Å; R311-I315 HydrophobicContact CG-CD1 3.81Å; R311-I315 VanDerWaalsContact O-CG1 3.31Å; R311-I315 WeakPolarHBondContact O-CG1 3.42Å; R311-I315 PolarHBondContact O-N 3.45Å |
| 312 | T | 86.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 41% | 0.405 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | L308 L314 I315 T316 | L308-T312 WeakPolarHBondContact O-CB 3.44Å; L308-T312 PolarHBondContact O-N 2.87Å; L308-T312 PolarHBondContact O-OG1 2.82Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 3.44Å; T312-I315 PolarHBondContact O-N 3.29Å; T312-T316 WeakPolarHBondContact O-CB 3.48Å; T312-T316 PolarHBondContact O-N 3.37Å; T312-T316 PolarHBondContact O-OG1 3.26Å; T312-T316 VanDerWaalsContact O-OG1 3.04Å |
| 313 | M | 86.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 176.5 | 177.6 | -89.2 | 165.9 | 0 | 0 | 111.3 | V212 Y245 L247 L265 F271 K309 L310 H317 L321 | V212-M313 HydrophobicContact CG2-CE 4.39Å; Y245-M313 HydrophobicContact CD1-CE 3.41Å; Y245-M313 VanDerWaalsContact CD1-CE 3.41Å; Y245-M313 HydrophobicContact CE1-CE 3.13Å; L247-M313 HydrophobicContact CD2-CE 4.29Å; L247-M313 HydrophobicContact CD2-CG 3.67Å; L247-M313 HydrophobicContact CG-CE 4.47Å; L265-M313 HydrophobicContact CD2-CB 4.4Å; F271-M313 HydrophobicContact CE2-CB 4.49Å; F271-M313 HydrophobicContact CE2-CG 4.27Å; F271-M313 HydrophobicContact CE2-SD 4.43Å; F271-M313 HydrophobicContact CZ-CB 4.09Å; F271-M313 HydrophobicContact CZ-CG 4.1Å; K309-M313 WeakPolarHBondContact O-CB 3.43Å; K309-M313 PolarHBondContact O-N 3.28Å; L310-M313 PolarHBondContact O-N 3.43Å; M313-H317 HydrophobicContact CE-CB 4.45Å; M313-H317 WeakPolarHBondContact O-CB 3.37Å; M313-H317 PolarHBondContact O-CD2 3.28Å; M313-H317 VanDerWaalsContact O-CD2 3.22Å; M313-H317 PolarHBondContact O-N 3.35Å; M313-L321 HydrophobicContact CE-CD1 4.45Å |
| 314 | L | 85.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -52.4 | 178.4 | -172.6 | 67.9 | 0 | 0 | 0 | 110.4 | F72 L91 F92 F184 L310 R311 T312 H317 M318 L321 | F72-L314 HydrophobicContact CE1-CD1 3.94Å; F72-L314 HydrophobicContact CZ-CD1 3.89Å; L91-L314 HydrophobicContact CD1-CD2 4.28Å; L91-L314 HydrophobicContact CD2-CD2 3.69Å; F92-L314 HydrophobicContact CE1-CD2 4.33Å; F92-L314 HydrophobicContact CZ-CD2 3.95Å; F184-L314 HydrophobicContact CE1-CD1 4.34Å; F184-L314 HydrophobicContact CZ-CD1 4.05Å; F184-L314 HydrophobicContact CZ-CD2 4.24Å; L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 PolarHBondContact O-N 3.01Å; R311-L314 PolarHBondContact O-N 2.69Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 3.44Å; L314-H317 PolarHBondContact O-N 3.3Å; L314-M318 WeakPolarHBondContact O-CG 3.45Å; L314-M318 PolarHBondContact O-N 2.99Å; L314-L321 HydrophobicContact CD1-CD1 4.26Å |
| 315 | I | 84 | Confident | 87.7 | Confident | 82 Ų | 82 | 35.3 Ų | 35.3 | 42% | 0.421 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.8 | -46.7 | -174.8 | -65.2 | 167.6 | 0 | 0 | 0 | 111.8 | R311 T312 H317 | R311-I315 HydrophobicContact CG-CD1 3.81Å; R311-I315 VanDerWaalsContact O-CG1 3.31Å; R311-I315 WeakPolarHBondContact O-CG1 3.42Å; R311-I315 PolarHBondContact O-N 3.45Å; T312-I315 PolarHBondContact O-N 3.29Å; I315-H317 VanDerWaalsContact C-N 3.34Å; I315-H317 PolarHBondContact O-N 2.81Å |
| 316 | T | 82.1 | Confident | 87.6 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 44% | 0.436 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.2 | -34.2 | -177.3 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | F258 T312 | F258-T316 HydrophobicContact CE2-CG2 4.39Å; F258-T316 HydrophobicContact CZ-CG2 4.46Å; T312-T316 WeakPolarHBondContact O-CB 3.48Å; T312-T316 PolarHBondContact O-N 3.37Å; T312-T316 PolarHBondContact O-OG1 3.26Å; T312-T316 VanDerWaalsContact O-OG1 3.04Å |
| 317 | H | 83.3 | Confident | 87.5 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 6% | 0.06 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 16.7 | -174 | -56.6 | -79.2 | 0 | 0 | 0 | 113.9 | L247 M313 L314 I315 Q319 D320 L321 | L247-H317 WeakPolarHBondContact CD2-CD2 3.44Å; L247-H317 VanDerWaalsContact CD2-NE2 3.26Å; L247-H317 WeakPolarHBondContact CD2-NE2 3.44Å; M313-H317 HydrophobicContact CE-CB 4.45Å; M313-H317 WeakPolarHBondContact O-CB 3.37Å; M313-H317 PolarHBondContact O-CD2 3.28Å; M313-H317 VanDerWaalsContact O-CD2 3.22Å; M313-H317 PolarHBondContact O-N 3.35Å; L314-H317 PolarHBondContact O-N 3.3Å; I315-H317 VanDerWaalsContact C-N 3.34Å; I315-H317 PolarHBondContact O-N 2.81Å; H317-Q319 VanDerWaalsContact C-N 3.29Å; H317-Q319 PolarHBondContact O-N 2.96Å; H317-D320 PolarHBondContact O-N 3.38Å; H317-L321 WeakPolarHBondContact O-CB 3.41Å; H317-L321 WeakPolarHBondContact O-CD1 3.4Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.39Å; H317-L321 PolarHBondContact O-N 2.83Å |
| 318 | M | 84.7 | Confident | 87.4 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 177.6 | -62 | -167 | 75 | 0 | 0 | 111.9 | F72 L129 L314 Q322 | F72-M318 HydrophobicContact CB-CE 3.42Å; F72-M318 VanDerWaalsContact CB-CE 3.42Å; F72-M318 HydrophobicContact CD1-CE 3.42Å; F72-M318 VanDerWaalsContact CD1-CE 3.42Å; F72-M318 HydrophobicContact CD2-CB 4.18Å; F72-M318 HydrophobicContact CD2-CE 3.45Å; F72-M318 VanDerWaalsContact CD2-CE 3.45Å; F72-M318 HydrophobicContact CE1-CE 3.96Å; F72-M318 HydrophobicContact CE2-CB 4.1Å; F72-M318 HydrophobicContact CE2-CE 3.98Å; F72-M318 HydrophobicContact CE2-CG 4.46Å; F72-M318 HydrophobicContact CG-CE 3.13Å; F72-M318 HydrophobicContact CZ-CE 4.21Å; L129-M318 HydrophobicContact CD1-CE 4.03Å; L129-M318 HydrophobicContact CD2-CE 3.88Å; L129-M318 HydrophobicContact CD2-SD 4.15Å; L314-M318 WeakPolarHBondContact O-CG 3.45Å; L314-M318 PolarHBondContact O-N 2.99Å; M318-Q322 WeakPolarHBondContact O-CG 3.26Å; M318-Q322 PolarHBondContact O-N 3.46Å |
| 319 | Q | 84.8 | Confident | 87.4 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 43% | 0.425 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.9 | -46.4 | -179.2 | -178.3 | 62.9 | 31.2 | 0 | 0 | 111 | H317 L321 Q322 E323 | H317-Q319 VanDerWaalsContact C-N 3.29Å; H317-Q319 PolarHBondContact O-N 2.96Å; Q319-L321 VanDerWaalsContact C-N 3.35Å; Q319-L321 PolarHBondContact O-N 3.44Å; Q319-Q322 WeakPolarHBondContact O-CB 3.24Å; Q319-Q322 PolarHBondContact O-N 2.78Å; Q319-Q322 VanDerWaalsContact O-N 3.1Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.47Å; Q319-E323 PolarHBondContact NE2-OE1 3.35Å; Q319-E323 WeakPolarHBondContact O-CG 3.47Å; Q319-E323 PolarHBondContact O-N 3.06Å |
| 320 | D | 88.1 | Confident | 87.3 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 177.8 | -178.3 | 85.8 | 0 | 0 | 0 | 111.8 | Y245 H317 Q322 E323 V324 | Y245-D320 VanDerWaalsContact CE2-OD2 3.31Å; Y245-D320 WeakPolarHBondContact CE2-OD2 3.5Å; Y245-D320 VanDerWaalsContact CZ-OD2 3.28Å; Y245-D320 PolarHBondContact OH-OD2 3.23Å; H317-D320 PolarHBondContact O-N 3.38Å; D320-Q322 VanDerWaalsContact C-N 3.26Å; D320-Q322 PolarHBondContact O-N 3.2Å; D320-E323 PolarHBondContact O-N 2.83Å; D320-E323 VanDerWaalsContact O-N 3.13Å; D320-V324 WeakPolarHBondContact O-CG2 3.41Å; D320-V324 PolarHBondContact O-N 2.56Å |
| 321 | L | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -37.6 | 174 | -75.3 | 164.1 | 0 | 0 | 0 | 112.3 | F72 C182 N210 Y245 M313 L314 H317 Q319 T325 | F72-L321 HydrophobicContact CE2-CB 4.25Å; F72-L321 HydrophobicContact CE2-CD1 4.45Å; F72-L321 HydrophobicContact CZ-CD1 4.11Å; C182-L321 HydrophobicContact CB-CD1 4.15Å; C182-L321 HydrophobicContact CB-CD2 4.35Å; N210-L321 HydrophobicContact CB-CD2 3.68Å; N210-L321 PolarHBondContact ND2-O 3.5Å; N210-L321 VanDerWaalsContact ND2-O 3.08Å; Y245-L321 HydrophobicContact CD1-CD2 4.06Å; Y245-L321 HydrophobicContact CD2-CD2 3.44Å; Y245-L321 VanDerWaalsContact CD2-CD2 3.44Å; Y245-L321 HydrophobicContact CD2-CG 4.49Å; Y245-L321 HydrophobicContact CE1-CD2 4.08Å; Y245-L321 HydrophobicContact CE2-CD2 3.45Å; Y245-L321 VanDerWaalsContact CE2-CD2 3.45Å; Y245-L321 HydrophobicContact CE2-CG 4.04Å; Y245-L321 HydrophobicContact CG-CD2 3.74Å; M313-L321 HydrophobicContact CE-CD1 4.45Å; L314-L321 HydrophobicContact CD1-CD1 4.26Å; H317-L321 WeakPolarHBondContact O-CB 3.41Å; H317-L321 WeakPolarHBondContact O-CD1 3.4Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.39Å; H317-L321 PolarHBondContact O-N 2.83Å; Q319-L321 VanDerWaalsContact C-N 3.35Å; Q319-L321 PolarHBondContact O-N 3.44Å; L321-T325 WeakPolarHBondContact O-CB 3.29Å; L321-T325 PolarHBondContact O-N 2.87Å; L321-T325 VanDerWaalsContact O-N 3.09Å; L321-T325 PolarHBondContact O-OG1 3.15Å |
| 322 | Q | 89 | Confident | 87.1 | Confident | 33 Ų | 33 | 48 Ų | 48 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -44.9 | 174.8 | -71.6 | 172.4 | -10.9 | 0 | 0 | 111.6 | E71 F72 H181 M318 Q319 D320 T325 Q326 | E71-Q322 PolarHBondContact O-NE2 3.45Å; F72-Q322 HydrophobicContact CD2-CG 4.17Å; F72-Q322 HydrophobicContact CE2-CG 4.45Å; H181-Q322 HydrophobicContact CB-CG 4.31Å; M318-Q322 WeakPolarHBondContact O-CG 3.26Å; M318-Q322 PolarHBondContact O-N 3.46Å; Q319-Q322 WeakPolarHBondContact O-CB 3.24Å; Q319-Q322 PolarHBondContact O-N 2.78Å; Q319-Q322 VanDerWaalsContact O-N 3.1Å; D320-Q322 VanDerWaalsContact C-N 3.26Å; D320-Q322 PolarHBondContact O-N 3.2Å; Q322-T325 WeakPolarHBondContact O-CB 3.28Å; Q322-T325 PolarHBondContact O-N 2.8Å; Q322-Q326 WeakPolarHBondContact O-CB 3.32Å; Q322-Q326 PolarHBondContact O-N 2.78Å |
| 323 | E | 89.3 | Confident | 87.2 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 179.2 | -72.5 | 173.6 | -167.9 | 0 | 0 | 111.4 | Q319 D320 T325 Q326 D327 | Q319-E323 WeakPolarHBondContact CG-OE1 3.47Å; Q319-E323 PolarHBondContact NE2-OE1 3.35Å; Q319-E323 WeakPolarHBondContact O-CG 3.47Å; Q319-E323 PolarHBondContact O-N 3.06Å; D320-E323 PolarHBondContact O-N 2.83Å; D320-E323 VanDerWaalsContact O-N 3.13Å; E323-T325 VanDerWaalsContact C-N 3.27Å; E323-T325 PolarHBondContact O-N 2.92Å; E323-Q326 PolarHBondContact O-N 3.33Å; E323-D327 WeakPolarHBondContact O-CB 3.42Å; E323-D327 PolarHBondContact O-N 2.82Å |
| 324 | V | 89.9 | Confident | 87.2 | Confident | 39 Ų | 39 | 50 Ų | 50 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | N210 Y245 D320 Q326 L328 H329 | N210-V324 WeakPolarHBondContact OD1-CG1 3.31Å; Y245-V324 HydrophobicContact CE2-CG2 4.42Å; D320-V324 WeakPolarHBondContact O-CG2 3.41Å; D320-V324 PolarHBondContact O-N 2.56Å; V324-Q326 VanDerWaalsContact C-N 3.31Å; V324-Q326 PolarHBondContact O-N 3.16Å; V324-L328 HydrophobicContact CG1-CB 4.28Å; V324-L328 HydrophobicContact CG1-CD2 4.27Å; V324-L328 WeakPolarHBondContact O-CA 3.5Å; V324-L328 WeakPolarHBondContact O-CB 3.2Å; V324-L328 PolarHBondContact O-N 3.35Å; V324-H329 PolarHBondContact O-N 3Å |
| 325 | T | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -63.3 | -39.5 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | F160 R179 H181 N210 L321 Q322 E323 H329 Y330 | F160-T325 HydrophobicContact CE1-CG2 4.29Å; R179-T325 HydrophobicContact CB-CG2 4.49Å; H181-T325 WeakPolarHBondContact CA-OG1 3.36Å; H181-T325 PolarHBondContact O-OG1 3.05Å; N210-T325 PolarHBondContact ND2-OG1 3.22Å; L321-T325 WeakPolarHBondContact O-CB 3.29Å; L321-T325 PolarHBondContact O-N 2.87Å; L321-T325 VanDerWaalsContact O-N 3.09Å; L321-T325 PolarHBondContact O-OG1 3.15Å; Q322-T325 WeakPolarHBondContact O-CB 3.28Å; Q322-T325 PolarHBondContact O-N 2.8Å; E323-T325 VanDerWaalsContact C-N 3.27Å; E323-T325 PolarHBondContact O-N 2.92Å; T325-H329 PolarHBondContact O-N 2.89Å; T325-Y330 VanDerWaalsContact O-CB 3.31Å; T325-Y330 WeakPolarHBondContact O-CB 3.24Å; T325-Y330 PolarHBondContact O-N 3.49Å |
| 326 | Q | 88.2 | Confident | 87.3 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -75 | -51.2 | -179.7 | -179.1 | 169.6 | -46.2 | 0 | 0 | 112.3 | Q322 E323 V324 Y330 E331 | Q322-Q326 WeakPolarHBondContact O-CB 3.32Å; Q322-Q326 PolarHBondContact O-N 2.78Å; E323-Q326 PolarHBondContact O-N 3.33Å; V324-Q326 VanDerWaalsContact C-N 3.31Å; V324-Q326 PolarHBondContact O-N 3.16Å; Q326-Y330 WeakPolarHBondContact O-CB 3.45Å; Q326-E331 PolarHBondContact O-N 3.15Å |
| 327 | D | 88.8 | Confident | 87.3 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | I | π-helix | trans | -83.3 | -28.3 | -168.6 | -65.4 | -15.8 | 0 | 0 | 0 | 112.5 | E323 E331 | E323-D327 WeakPolarHBondContact O-CB 3.42Å; E323-D327 PolarHBondContact O-N 2.82Å; D327-E331 WeakPolarHBondContact O-CB 3.47Å |
| 328 | L | 88.6 | Confident | 87.1 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -102.5 | -64.4 | 179.2 | -168.6 | 72.8 | 0 | 0 | 0 | 111.4 | V324 N332 | V324-L328 HydrophobicContact CG1-CB 4.28Å; V324-L328 HydrophobicContact CG1-CD2 4.27Å; V324-L328 WeakPolarHBondContact O-CA 3.5Å; V324-L328 WeakPolarHBondContact O-CB 3.2Å; V324-L328 PolarHBondContact O-N 3.35Å; L328-N332 WeakPolarHBondContact O-CB 3.23Å; L328-N332 PolarHBondContact O-N 2.81Å; L328-N332 PolarHBondContact O-ND2 3.38Å |
| 329 | H | 88.2 | Confident | 86.9 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -71.3 | -47.5 | -169 | -64.6 | -52 | 0 | 0 | 0 | 112.5 | F160 N207 K208 N210 V324 T325 F333 | F160-H329 HydrophobicContact CZ-CB 4.33Å; N207-H329 PolarHBondContact O-ND1 3.12Å; K208-H329 WeakPolarHBondContact O-CB 3.36Å; N210-H329 PolarHBondContact N-NE2 2.91Å; N210-H329 PolarHBondContact OD1-NE2 2.97Å; V324-H329 PolarHBondContact O-N 3Å; T325-H329 PolarHBondContact O-N 2.89Å; H329-F333 PolarHBondContact O-N 2.85Å |
| 330 | Y | 88.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -69.4 | -43.3 | -179.5 | 174.6 | -105.9 | 0 | 0 | 0 | 112 | F160 Y163 L164 E167 T325 Q326 N332 F333 R334 | F160-Y330 AromaticContact CD1-CD2 3.92Å; F160-Y330 HydrophobicContact CD1-CD2 3.92Å; Y163-Y330 HydrophobicContact CD1-CD2 4.27Å; Y163-Y330 HydrophobicContact CD1-CE1 4.03Å; Y163-Y330 AromaticContact CD1-CE2 3.57Å; Y163-Y330 HydrophobicContact CD1-CE2 3.57Å; Y163-Y330 AromaticContact CD1-CZ 3.43Å; Y163-Y330 VanDerWaalsContact CD1-CZ 3.43Å; Y163-Y330 WeakPolarHBondContact CD1-OH 3.43Å; Y163-Y330 AromaticContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE1 3.9Å; Y163-Y330 HydrophobicContact CE1-CE2 4.29Å; Y163-Y330 AromaticContact CE1-CZ 3.77Å; Y163-Y330 HydrophobicContact CG-CE2 4.43Å; L164-Y330 WeakPolarHBondContact CA-OH 3.17Å; L164-Y330 HydrophobicContact CB-CE2 4.42Å; L164-Y330 WeakPolarHBondContact CD1-OH 3.46Å; E167-Y330 WeakPolarHBondContact OE2-CE1 3.5Å; E167-Y330 PolarHBondContact OE2-OH 3.36Å; T325-Y330 VanDerWaalsContact O-CB 3.31Å; T325-Y330 WeakPolarHBondContact O-CB 3.24Å; T325-Y330 PolarHBondContact O-N 3.49Å; Q326-Y330 WeakPolarHBondContact O-CB 3.45Å; Y330-N332 VanDerWaalsContact C-N 3.35Å; Y330-N332 PolarHBondContact O-N 3.38Å; Y330-F333 WeakPolarHBondContact O-CB 3.3Å; Y330-F333 PolarHBondContact O-N 3.3Å; Y330-R334 WeakPolarHBondContact O-CB 3.33Å; Y330-R334 PolarHBondContact O-N 3.41Å |
| 331 | E | 86.6 | Confident | 84.6 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 176.5 | -76.6 | -61.1 | 141.5 | 0 | 0 | 113.1 | Q326 D327 R334 S335 | Q326-E331 PolarHBondContact O-N 3.15Å; D327-E331 WeakPolarHBondContact O-CB 3.47Å; E331-R334 PolarHBondContact O-N 3.11Å; E331-R334 IonicContact OE1-NH1 3.66Å; E331-R334 PolarHBondContact OE1-NH1 3.05Å; E331-R334 VanDerWaalsContact OE1-NH1 3.16Å; E331-R334 WeakPolarHBondContact OE2-CD 3.38Å; E331-S335 VanDerWaalsContact O-CB 3.24Å; E331-S335 WeakPolarHBondContact O-CB 3.06Å; E331-S335 PolarHBondContact O-N 3.05Å; E331-S335 PolarHBondContact O-OG 3.43Å |
| 332 | N | 87.8 | Confident | 82.8 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 170.5 | -78.1 | -35.8 | 0 | 0 | 0 | 111.5 | L328 Y330 S335 E336 | L328-N332 WeakPolarHBondContact O-CB 3.23Å; L328-N332 PolarHBondContact O-N 2.81Å; L328-N332 PolarHBondContact O-ND2 3.38Å; Y330-N332 VanDerWaalsContact C-N 3.35Å; Y330-N332 PolarHBondContact O-N 3.38Å; N332-S335 PolarHBondContact O-N 2.83Å; N332-E336 PolarHBondContact O-N 3.15Å |
| 333 | F | 87.2 | Confident | 80.9 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 11% | 0.114 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176 | 178.5 | -93.6 | 0 | 0 | 0 | 111.7 | D157 F160 H329 Y330 S335 E336 R337 | D157-F333 HydrophobicContact CB-CE2 4.2Å; F160-F333 HydrophobicContact CB-CD1 3.62Å; F160-F333 HydrophobicContact CB-CD2 4.43Å; F160-F333 HydrophobicContact CB-CE1 3.62Å; F160-F333 HydrophobicContact CB-CE2 4.42Å; F160-F333 HydrophobicContact CB-CG 4.04Å; F160-F333 HydrophobicContact CB-CZ 4.03Å; F160-F333 HydrophobicContact CD2-CB 4.4Å; F160-F333 HydrophobicContact CD2-CD2 4.21Å; F160-F333 HydrophobicContact CD2-CG 4.15Å; F160-F333 HydrophobicContact CG-CD1 4.33Å; F160-F333 HydrophobicContact CG-CG 4.34Å; H329-F333 PolarHBondContact O-N 2.85Å; Y330-F333 WeakPolarHBondContact O-CB 3.3Å; Y330-F333 PolarHBondContact O-N 3.3Å; F333-S335 VanDerWaalsContact C-N 3.34Å; F333-S335 PolarHBondContact O-N 3.45Å; F333-E336 PolarHBondContact O-N 3.26Å; F333-R337 VanDerWaalsContact O-CB 3.28Å; F333-R337 WeakPolarHBondContact O-CB 3.12Å; F333-R337 PolarHBondContact O-N 3.38Å |
| 334 | R | 87.8 | Confident | 78.8 | Confident | 82 Ų | 82 | 80.3 Ų | 80.3 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 176.6 | -174.7 | -170.7 | -171.5 | 148 | 14.8 | 111.3 | L164 E167 Y330 E331 R337 L338 | L164-R334 HydrophobicContact CD1-CG 4.29Å; E167-R334 IonicContact OE1-CZ 3.5Å; E167-R334 VanDerWaalsContact OE1-CZ 3.29Å; E167-R334 IonicContact OE1-NH1 2.59Å; E167-R334 PolarHBondContact OE1-NH1 2.84Å; E167-R334 IonicContact OE1-NH2 2.99Å; E167-R334 PolarHBondContact OE1-NH2 3.31Å; E167-R334 IonicContact OE2-CZ 3.95Å; E167-R334 IonicContact OE2-NH1 3.26Å; Y330-R334 WeakPolarHBondContact O-CB 3.33Å; Y330-R334 PolarHBondContact O-N 3.41Å; E331-R334 PolarHBondContact O-N 3.11Å; E331-R334 IonicContact OE1-NH1 3.66Å; E331-R334 PolarHBondContact OE1-NH1 3.05Å; E331-R334 VanDerWaalsContact OE1-NH1 3.16Å; E331-R334 WeakPolarHBondContact OE2-CD 3.38Å; R334-R337 PolarHBondContact O-N 3.29Å; R334-L338 WeakPolarHBondContact O-CB 3.35Å; R334-L338 PolarHBondContact O-N 3.04Å |
| 335 | S | 85.5 | Confident | 76.9 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.5 | -65.8 | 0 | 0 | 0 | 0 | 112 | E331 N332 F333 K339 | E331-S335 VanDerWaalsContact O-CB 3.24Å; E331-S335 WeakPolarHBondContact O-CB 3.06Å; E331-S335 PolarHBondContact O-N 3.05Å; E331-S335 PolarHBondContact O-OG 3.43Å; N332-S335 PolarHBondContact O-N 2.83Å; F333-S335 VanDerWaalsContact C-N 3.34Å; F333-S335 PolarHBondContact O-N 3.45Å; S335-K339 VanDerWaalsContact O-CG 3.27Å; S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 3.48Å; S335-K339 VanDerWaalsContact O-N 3.13Å |
| 336 | E | 85.1 | Confident | 74.9 | Confident | 101 Ų | 101 | 88.7 Ų | 88.7 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.8 | -171 | -178.7 | 170.4 | 0 | 0 | 111.5 | N332 F333 K339 R340 | N332-E336 PolarHBondContact O-N 3.15Å; F333-E336 PolarHBondContact O-N 3.26Å; E336-K339 WeakPolarHBondContact O-CB 3.22Å; E336-K339 PolarHBondContact O-N 3.31Å; E336-R340 PolarHBondContact O-N 3.07Å |
| 337 | R | 82.4 | Confident | 73 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 29% | 0.291 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 179.8 | -168.5 | 66.3 | 174.5 | 87.7 | 6.7 | 112.1 | E161 L164 F333 R334 R340 G341 | E161-R337 IonicContact OE1-CZ 2.75Å; E161-R337 IonicContact OE1-NE 3.81Å; E161-R337 PolarHBondContact OE1-NE 3.06Å; E161-R337 IonicContact OE1-NH2 2.75Å; E161-R337 PolarHBondContact OE1-NH2 3.34Å; E161-R337 IonicContact OE2-CZ 3.91Å; E161-R337 IonicContact OE2-NE 3.74Å; E161-R337 PolarHBondContact OE2-NE 3.27Å; E161-R337 IonicContact OE2-NH2 2.59Å; L164-R337 HydrophobicContact CD2-CG 3.98Å; F333-R337 VanDerWaalsContact O-CB 3.28Å; F333-R337 WeakPolarHBondContact O-CB 3.12Å; F333-R337 PolarHBondContact O-N 3.38Å; R334-R337 PolarHBondContact O-N 3.29Å; R337-R340 CarbonylContact O-C 3.57Å; R337-R340 PolarHBondContact O-N 3.2Å; R337-G341 WeakPolarHBondContact O-CA 3.34Å; R337-G341 PolarHBondContact O-N 2.99Å |
| 338 | L | 79.6 | Confident | 71.2 | Confident | 136 Ų | 136 | 90.8 Ų | 90.8 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 175.8 | -165.9 | 67.7 | 0 | 0 | 0 | 111 | R334 R340 G341 G342 | R334-L338 WeakPolarHBondContact O-CB 3.35Å; R334-L338 PolarHBondContact O-N 3.04Å; L338-R340 VanDerWaalsContact C-N 3.33Å; L338-R340 PolarHBondContact O-N 3.13Å; L338-G341 PolarHBondContact O-N 2.97Å; L338-G342 PolarHBondContact O-N 3.3Å |
| 339 | K | 78.9 | Confident | 69.6 | Low | 169 Ų | 169 | 90 Ų | 90 | 74% | 0.735 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 172.3 | -72 | 170.4 | -176.3 | 176.7 | 0 | 112.3 | S335 E336 | S335-K339 VanDerWaalsContact O-CG 3.27Å; S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 3.48Å; S335-K339 VanDerWaalsContact O-N 3.13Å; E336-K339 WeakPolarHBondContact O-CB 3.22Å; E336-K339 PolarHBondContact O-N 3.31Å |
| 340 | R | 69.4 | Low | 68 | Low | 168 Ų | 168 | 95.2 Ų | 95.2 | 63% | 0.634 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -75.1 | -35.1 | 175.2 | -81.1 | -178.7 | 165.9 | -153.5 | -2.3 | 113.2 | E336 R337 L338 R343 K344 | E336-R340 PolarHBondContact O-N 3.07Å; R337-R340 CarbonylContact O-C 3.57Å; R337-R340 PolarHBondContact O-N 3.2Å; L338-R340 VanDerWaalsContact C-N 3.33Å; L338-R340 PolarHBondContact O-N 3.13Å; R340-R343 WeakPolarHBondContact O-CB 3.27Å; R340-R343 PolarHBondContact O-N 2.81Å; R340-K344 PolarHBondContact O-N 3.04Å |
| 341 | G | 56.5 | Low | 66.8 | Low | 20 Ų | 20 | 99.7 Ų | 99.7 | 21% | 0.206 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -69.6 | -40.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R337 L338 R343 K344 V345 | R337-G341 WeakPolarHBondContact O-CA 3.34Å; R337-G341 PolarHBondContact O-N 2.99Å; L338-G341 PolarHBondContact O-N 2.97Å; G341-R343 PolarHBondContact O-N 2.93Å; G341-K344 PolarHBondContact O-N 2.87Å; G341-V345 PolarHBondContact O-N 2.95Å |
| 342 | G | 51.7 | Low | 65.5 | Low | 41 Ų | 41 | 101.8 Ų | 101.8 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.1 | -34.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L338 E346 | L338-G342 PolarHBondContact O-N 3.3Å; G342-E346 PolarHBondContact O-N 3.14Å |
| 343 | R | 48.6 | Very low | 64.6 | Low | 188 Ų | 188 | 102.2 Ų | 102.2 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -75.1 | -23.4 | 178.5 | -129.5 | 173.6 | -175.8 | 159.6 | 0.4 | 114.6 | R340 G341 | R340-R343 WeakPolarHBondContact O-CB 3.27Å; R340-R343 PolarHBondContact O-N 2.81Å; G341-R343 PolarHBondContact O-N 2.93Å |
| 344 | K | 47 | Very low | 63.8 | Low | 136 Ų | 136 | 107.3 Ų | 107.3 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -80.9 | -35.4 | 176.4 | -85.3 | -169 | 174.4 | -172.3 | 0 | 112 | R340 G341 E346 N347 E348 | R340-K344 PolarHBondContact O-N 3.04Å; G341-K344 PolarHBondContact O-N 2.87Å; K344-E346 VanDerWaalsContact C-N 3.35Å; K344-N347 PolarHBondContact O-N 3.2Å; K344-E348 PolarHBondContact O-N 3.41Å |
| 345 | V | 49 | Very low | 63.2 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 177 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | G341 N347 E348 D349 | G341-V345 PolarHBondContact O-N 2.95Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 3Å; V345-E348 PolarHBondContact O-N 3.22Å; V345-D349 WeakPolarHBondContact CG1-OD2 3.4Å; V345-D349 WeakPolarHBondContact O-CB 3.41Å; V345-D349 PolarHBondContact O-N 3.49Å |
| 346 | E | 47.5 | Very low | 62.9 | Low | 130 Ų | 130 | 111.2 Ų | 111.2 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.2 | -41 | 174.1 | -71.1 | 178.2 | 162.9 | 0 | 0 | 112.9 | G342 K344 M350 | G342-E346 PolarHBondContact O-N 3.14Å; K344-E346 VanDerWaalsContact C-N 3.35Å; E346-M350 WeakPolarHBondContact O-CB 3.48Å; E346-M350 WeakPolarHBondContact O-CG 3.46Å; E346-M350 PolarHBondContact O-N 2.99Å |
| 347 | N | 47.9 | Very low | 62.7 | Low | 117 Ų | 117 | 112.4 Ų | 112.4 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.6 | -33.3 | 179.9 | -80.5 | -17.7 | 0 | 0 | 0 | 113.5 | K344 V345 N351 | K344-N347 PolarHBondContact O-N 3.2Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 3Å; N347-N351 PolarHBondContact O-N 3.45Å |
| 348 | E | 51.4 | Low | 62.6 | Low | 119 Ų | 119 | 115.7 Ų | 115.7 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.9 | -37.1 | 175.7 | -76.1 | -172.3 | -178.5 | 0 | 0 | 112.3 | K344 V345 N351 K352 | K344-E348 PolarHBondContact O-N 3.41Å; V345-E348 PolarHBondContact O-N 3.22Å; E348-N351 PolarHBondContact O-N 3.42Å; E348-K352 WeakPolarHBondContact O-CG 3.46Å; E348-K352 PolarHBondContact O-N 3.11Å |
| 349 | D | 55.5 | Low | 62.7 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 39% | 0.39 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.8 | -40.6 | 176.5 | -71.6 | -21.5 | 0 | 0 | 0 | 111.2 | V345 N351 K352 D353 | V345-D349 WeakPolarHBondContact CG1-OD2 3.4Å; V345-D349 WeakPolarHBondContact O-CB 3.41Å; V345-D349 PolarHBondContact O-N 3.49Å; D349-N351 VanDerWaalsContact C-N 3.28Å; D349-N351 PolarHBondContact O-N 3.01Å; D349-K352 PolarHBondContact O-N 3.36Å; D349-D353 WeakPolarHBondContact O-CB 3.46Å; D349-D353 PolarHBondContact O-N 3.02Å |
| 350 | M | 54.7 | Low | 62.8 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 59% | 0.586 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.6 | -33.6 | 173.1 | -72.3 | -61.9 | -61.9 | 0 | 0 | 113.2 | E346 Q354 | E346-M350 WeakPolarHBondContact O-CB 3.48Å; E346-M350 WeakPolarHBondContact O-CG 3.46Å; E346-M350 PolarHBondContact O-N 2.99Å; M350-Q354 PolarHBondContact O-N 3.14Å; M350-Q354 VanDerWaalsContact O-N 3.15Å |
| 351 | N | 62.2 | Low | 63.6 | Low | 97 Ų | 97 | 106.9 Ų | 106.9 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74.2 | -39 | 175.4 | -111.5 | 1.4 | 0 | 0 | 0 | 112.2 | N347 E348 D349 Q354 I355 | N347-N351 PolarHBondContact O-N 3.45Å; E348-N351 PolarHBondContact O-N 3.42Å; D349-N351 VanDerWaalsContact C-N 3.28Å; D349-N351 PolarHBondContact O-N 3.01Å; N351-Q354 PolarHBondContact O-N 3.46Å; N351-I355 WeakPolarHBondContact O-CD1 3.32Å; N351-I355 VanDerWaalsContact O-CG1 3.22Å; N351-I355 WeakPolarHBondContact O-CG1 3.26Å; N351-I355 PolarHBondContact O-N 3.39Å |
| 352 | K | 60.8 | Low | 64.9 | Low | 112 Ų | 112 | 111.3 Ų | 111.3 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.9 | -41.1 | 175.6 | -75.4 | 172.5 | -170.3 | 155.3 | 0 | 111.5 | E348 D349 I355 L356 | E348-K352 WeakPolarHBondContact O-CG 3.46Å; E348-K352 PolarHBondContact O-N 3.11Å; D349-K352 PolarHBondContact O-N 3.36Å; K352-I355 PolarHBondContact O-N 3.02Å; K352-L356 WeakPolarHBondContact O-CB 3.48Å; K352-L356 PolarHBondContact O-N 2.89Å |
| 353 | D | 67.3 | Low | 66.4 | Low | 99 Ų | 99 | 114.4 Ų | 114.4 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.4 | -38.6 | 176.8 | -75.2 | -16 | 0 | 0 | 0 | 111.7 | D349 L356 L357 | D349-D353 WeakPolarHBondContact O-CB 3.46Å; D349-D353 PolarHBondContact O-N 3.02Å; D353-L356 PolarHBondContact O-N 3.43Å; D353-L357 WeakPolarHBondContact O-CB 3.46Å; D353-L357 PolarHBondContact O-N 3.2Å |
| 354 | Q | 71.1 | Confident | 68.2 | Low | 133 Ų | 133 | 113.6 Ų | 113.6 | 62% | 0.621 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.5 | -44.9 | 172.6 | -107.9 | 175.9 | 25.9 | 0 | 0 | 112.6 | M350 N351 L357 E358 | M350-Q354 PolarHBondContact O-N 3.14Å; M350-Q354 VanDerWaalsContact O-N 3.15Å; N351-Q354 PolarHBondContact O-N 3.46Å; Q354-L357 PolarHBondContact O-N 3.33Å; Q354-E358 PolarHBondContact O-N 3.45Å; Q354-E358 VanDerWaalsContact O-N 3.11Å |
| 355 | I | 75.5 | Confident | 70.2 | Confident | 101 Ų | 101 | 116.3 Ų | 116.3 | 52% | 0.518 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -37.8 | 179.1 | -68 | 163.9 | 0 | 0 | 0 | 111.1 | N351 K352 K359 | N351-I355 WeakPolarHBondContact O-CD1 3.32Å; N351-I355 VanDerWaalsContact O-CG1 3.22Å; N351-I355 WeakPolarHBondContact O-CG1 3.26Å; N351-I355 PolarHBondContact O-N 3.39Å; K352-I355 PolarHBondContact O-N 3.02Å; I355-K359 WeakPolarHBondContact O-CB 3.44Å; I355-K359 WeakPolarHBondContact O-CG 3.44Å; I355-K359 PolarHBondContact O-N 3.44Å |
| 356 | L | 78.3 | Confident | 71.7 | Confident | 116 Ų | 116 | 118.2 Ų | 118.2 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64 | -44.9 | 175.8 | -113.5 | 116.7 | 0 | 0 | 0 | 111.5 | K352 D353 E358 K359 E360 | K352-L356 WeakPolarHBondContact O-CB 3.48Å; K352-L356 PolarHBondContact O-N 2.89Å; D353-L356 PolarHBondContact O-N 3.43Å; L356-E358 VanDerWaalsContact C-N 3.32Å; L356-E358 PolarHBondContact O-N 2.96Å; L356-K359 PolarHBondContact O-N 3.43Å; L356-E360 WeakPolarHBondContact O-CB 3.45Å; L356-E360 PolarHBondContact O-N 2.89Å |
| 357 | L | 80.8 | Confident | 73.5 | Confident | 126 Ų | 126 | 118.1 Ų | 118.1 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.4 | -39.7 | -179.9 | -138.8 | 94.4 | 0 | 0 | 0 | 111.9 | D353 Q354 E360 A361 | D353-L357 WeakPolarHBondContact O-CB 3.46Å; D353-L357 PolarHBondContact O-N 3.2Å; Q354-L357 PolarHBondContact O-N 3.33Å; L357-E360 PolarHBondContact O-N 3.04Å; L357-A361 WeakPolarHBondContact O-CB 3.48Å; L357-A361 PolarHBondContact O-N 3.34Å |
| 358 | E | 81.7 | Confident | 75.4 | Confident | 145 Ų | 145 | 117.9 Ų | 117.9 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.5 | -41 | 179.3 | -159.1 | 169.3 | -150.5 | 0 | 0 | 111.3 | Q354 L356 A361 E362 | Q354-E358 PolarHBondContact O-N 3.45Å; Q354-E358 VanDerWaalsContact O-N 3.11Å; L356-E358 VanDerWaalsContact C-N 3.32Å; L356-E358 PolarHBondContact O-N 2.96Å; E358-A361 PolarHBondContact O-N 2.88Å; E358-E362 WeakPolarHBondContact O-CB 3.39Å; E358-E362 PolarHBondContact O-N 3.21Å |
| 359 | K | 80.4 | Confident | 76.9 | Confident | 115 Ų | 115 | 118.6 Ų | 118.6 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -39.6 | 173.4 | -76.5 | -75.4 | 159.3 | -151.5 | 0 | 112.6 | I355 L356 E362 L363 | I355-K359 WeakPolarHBondContact O-CB 3.44Å; I355-K359 WeakPolarHBondContact O-CG 3.44Å; I355-K359 PolarHBondContact O-N 3.44Å; L356-K359 PolarHBondContact O-N 3.43Å; K359-E362 IonicContact NZ-OE2 2.95Å; K359-E362 PolarHBondContact NZ-OE2 3.36Å; K359-E362 PolarHBondContact O-N 2.91Å; K359-L363 WeakPolarHBondContact O-CB 3.33Å; K359-L363 PolarHBondContact O-N 3.21Å |
| 360 | E | 82.5 | Confident | 78.4 | Confident | 126 Ų | 126 | 119 Ų | 119 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.8 | -40.2 | 177.3 | -166.3 | 178.4 | 175.1 | 0 | 0 | 111.7 | L356 L357 E362 L363 R364 | L356-E360 WeakPolarHBondContact O-CB 3.45Å; L356-E360 PolarHBondContact O-N 2.89Å; L357-E360 PolarHBondContact O-N 3.04Å; E360-E362 VanDerWaalsContact C-N 3.35Å; E360-E362 PolarHBondContact O-N 3.26Å; E360-L363 PolarHBondContact O-N 2.97Å; E360-R364 WeakPolarHBondContact O-CB 3.46Å; E360-R364 PolarHBondContact O-N 3.02Å |
| 361 | A | 85.5 | Confident | 79.9 | Confident | 47 Ų | 47 | 115.9 Ų | 115.9 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L357 E358 R364 R365 | L357-A361 WeakPolarHBondContact O-CB 3.48Å; L357-A361 PolarHBondContact O-N 3.34Å; E358-A361 PolarHBondContact O-N 2.88Å; A361-R364 PolarHBondContact O-N 3.1Å; A361-R365 WeakPolarHBondContact O-CG 3.43Å; A361-R365 PolarHBondContact O-N 3.12Å; A361-R365 VanDerWaalsContact O-N 3.14Å |
| 362 | E | 83.3 | Confident | 81 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.3 | -45.4 | 177 | -159.1 | 175.9 | -153.9 | 0 | 0 | 111.4 | E358 K359 E360 R364 R365 M366 | E358-E362 WeakPolarHBondContact O-CB 3.39Å; E358-E362 PolarHBondContact O-N 3.21Å; K359-E362 IonicContact NZ-OE2 2.95Å; K359-E362 PolarHBondContact NZ-OE2 3.36Å; K359-E362 PolarHBondContact O-N 2.91Å; E360-E362 VanDerWaalsContact C-N 3.35Å; E360-E362 PolarHBondContact O-N 3.26Å; E362-R364 VanDerWaalsContact C-N 3.33Å; E362-R364 PolarHBondContact O-N 3.27Å; E362-R365 PolarHBondContact O-N 3.39Å; E362-M366 PolarHBondContact O-N 3.39Å |
| 363 | L | 82.8 | Confident | 81.9 | Confident | 105 Ų | 105 | 120.9 Ų | 120.9 | 55% | 0.55 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.2 | -41.3 | 173.7 | -97.8 | 141.1 | 0 | 0 | 0 | 112.3 | K359 E360 M366 Q367 | K359-L363 WeakPolarHBondContact O-CB 3.33Å; K359-L363 PolarHBondContact O-N 3.21Å; E360-L363 PolarHBondContact O-N 2.97Å; L363-M366 PolarHBondContact O-N 2.98Å; L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.44Å |
| 364 | R | 88.2 | Confident | 82.5 | Confident | 172 Ų | 172 | 121.8 Ų | 121.8 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.5 | -41.5 | 179.7 | -161.4 | 173.4 | -176.2 | 167.2 | 2.6 | 112.3 | E360 A361 E362 M366 Q367 E368 | E360-R364 WeakPolarHBondContact O-CB 3.46Å; E360-R364 PolarHBondContact O-N 3.02Å; A361-R364 PolarHBondContact O-N 3.1Å; E362-R364 VanDerWaalsContact C-N 3.33Å; E362-R364 PolarHBondContact O-N 3.27Å; R364-M366 VanDerWaalsContact C-N 3.35Å; R364-Q367 PolarHBondContact O-N 3.45Å; R364-E368 PolarHBondContact O-N 2.92Å |
| 365 | R | 87.1 | Confident | 83 | Confident | 192 Ų | 192 | 118 Ų | 118 | 73% | 0.725 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.3 | -41.1 | 173.7 | -71.6 | -178.3 | -170.7 | 173.8 | 5.8 | 112 | A361 E362 E368 M369 | A361-R365 WeakPolarHBondContact O-CG 3.43Å; A361-R365 PolarHBondContact O-N 3.12Å; A361-R365 VanDerWaalsContact O-N 3.14Å; E362-R365 PolarHBondContact O-N 3.39Å; R365-E368 PolarHBondContact O-N 3.35Å; R365-M369 PolarHBondContact O-N 3.03Å |
| 366 | M | 82.6 | Confident | 83.2 | Confident | 124 Ų | 124 | 119.8 Ų | 119.8 | 61% | 0.611 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -40.8 | 177.5 | -175.8 | 170.7 | 162.7 | 0 | 0 | 111.6 | E362 L363 R364 M369 I370 | E362-M366 PolarHBondContact O-N 3.39Å; L363-M366 PolarHBondContact O-N 2.98Å; R364-M366 VanDerWaalsContact C-N 3.35Å; M366-M369 PolarHBondContact O-N 3.45Å; M366-I370 HydrophobicContact CE-CD1 4.24Å; M366-I370 HydrophobicContact CG-CD1 4.16Å; M366-I370 WeakPolarHBondContact O-CG1 3.33Å; M366-I370 PolarHBondContact O-N 3.04Å |
| 367 | Q | 83.4 | Confident | 82.9 | Confident | 129 Ų | 129 | 120.9 Ų | 120.9 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.5 | -42.9 | 174.1 | -80.2 | -179.5 | -16.5 | 0 | 0 | 112.6 | L363 R364 M369 I370 A371 | L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.44Å; R364-Q367 PolarHBondContact O-N 3.45Å; Q367-M369 VanDerWaalsContact C-N 3.32Å; Q367-M369 PolarHBondContact O-N 3.33Å; Q367-I370 PolarHBondContact O-N 3.4Å; Q367-A371 WeakPolarHBondContact O-CB 3.42Å; Q367-A371 PolarHBondContact O-N 3.03Å |
| 368 | E | 88.3 | Confident | 82.5 | Confident | 111 Ų | 111 | 121.6 Ų | 121.6 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.2 | -38 | 176 | -76.6 | -180 | -173.7 | 0 | 0 | 112.5 | R364 R365 A371 R372 | R364-E368 PolarHBondContact O-N 2.92Å; R365-E368 PolarHBondContact O-N 3.35Å; E368-A371 PolarHBondContact O-N 3.37Å; E368-R372 WeakPolarHBondContact O-CG 3.49Å; E368-R372 PolarHBondContact O-N 2.99Å |
| 369 | M | 83 | Confident | 81.8 | Confident | 135 Ų | 135 | 122.1 Ų | 122.1 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.1 | -42.6 | 176.7 | -165.6 | 177.6 | -139.3 | 0 | 0 | 111.9 | R365 M366 Q367 R372 M373 | R365-M369 PolarHBondContact O-N 3.03Å; M366-M369 PolarHBondContact O-N 3.45Å; Q367-M369 VanDerWaalsContact C-N 3.32Å; Q367-M369 PolarHBondContact O-N 3.33Å; M369-R372 PolarHBondContact O-N 3.31Å; M369-M373 WeakPolarHBondContact O-CB 3.44Å; M369-M373 PolarHBondContact O-N 3.19Å |
| 370 | I | 86.3 | Confident | 81 | Confident | 80 Ų | 80 | 124.3 Ų | 124.3 | 41% | 0.41 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64 | -43.9 | 175.6 | -68.2 | 167.6 | 0 | 0 | 0 | 110.6 | M366 Q367 R372 M373 Q374 | M366-I370 HydrophobicContact CE-CD1 4.24Å; M366-I370 HydrophobicContact CG-CD1 4.16Å; M366-I370 WeakPolarHBondContact O-CG1 3.33Å; M366-I370 PolarHBondContact O-N 3.04Å; Q367-I370 PolarHBondContact O-N 3.4Å; I370-R372 VanDerWaalsContact C-N 3.34Å; I370-R372 PolarHBondContact O-N 2.99Å; I370-M373 PolarHBondContact O-N 3.06Å; I370-Q374 HydrophobicContact CG2-CG 4.39Å; I370-Q374 WeakPolarHBondContact O-CB 3.48Å; I370-Q374 WeakPolarHBondContact O-CG 3.47Å; I370-Q374 PolarHBondContact O-N 2.82Å |
| 371 | A | 87.3 | Confident | 79.9 | Confident | 55 Ų | 55 | 126.4 Ų | 126.4 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.9 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q367 E368 Q374 A375 | Q367-A371 WeakPolarHBondContact O-CB 3.42Å; Q367-A371 PolarHBondContact O-N 3.03Å; E368-A371 PolarHBondContact O-N 3.37Å; A371-Q374 PolarHBondContact O-N 2.91Å; A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 3.23Å |
| 372 | R | 85.4 | Confident | 78.5 | Confident | 185 Ų | 185 | 132.7 Ų | 132.7 | 70% | 0.698 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.6 | -42.1 | 173.7 | -77.6 | -176.8 | -179.1 | -179.2 | 2.9 | 112.4 | E368 M369 I370 A375 Q376 | E368-R372 WeakPolarHBondContact O-CG 3.49Å; E368-R372 PolarHBondContact O-N 2.99Å; M369-R372 PolarHBondContact O-N 3.31Å; I370-R372 VanDerWaalsContact C-N 3.34Å; I370-R372 PolarHBondContact O-N 2.99Å; R372-A375 PolarHBondContact O-N 2.85Å; R372-Q376 PolarHBondContact O-N 3.02Å |
| 373 | M | 79.6 | Confident | 77.1 | Confident | 128 Ų | 128 | 130.7 Ų | 130.7 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 179 | -167.1 | 177.8 | -73.8 | 0 | 0 | 111.6 | M369 I370 Q376 M377 | M369-M373 WeakPolarHBondContact O-CB 3.44Å; M369-M373 PolarHBondContact O-N 3.19Å; I370-M373 PolarHBondContact O-N 3.06Å; M373-Q376 PolarHBondContact O-N 3Å; M373-M377 WeakPolarHBondContact O-CB 3.39Å; M373-M377 PolarHBondContact O-N 3.32Å |
| 374 | Q | 79.6 | Confident | 75.4 | Confident | 118 Ų | 118 | 128.6 Ų | 128.6 | 55% | 0.551 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.1 | -40.6 | 173.5 | -76.5 | -177.9 | -15 | 0 | 0 | 112.3 | I370 A371 M377 Q378 | I370-Q374 HydrophobicContact CG2-CG 4.39Å; I370-Q374 WeakPolarHBondContact O-CB 3.48Å; I370-Q374 WeakPolarHBondContact O-CG 3.47Å; I370-Q374 PolarHBondContact O-N 2.82Å; A371-Q374 PolarHBondContact O-N 2.91Å; Q374-M377 PolarHBondContact O-N 3.38Å; Q374-Q378 WeakPolarHBondContact O-CG 3.48Å; Q374-Q378 PolarHBondContact O-N 3.35Å |
| 375 | A | 82.2 | Confident | 73.6 | Confident | 53 Ų | 53 | 128.8 Ų | 128.8 | 44% | 0.438 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.4 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A371 R372 Q378 M379 | A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 3.23Å; R372-A375 PolarHBondContact O-N 2.85Å; A375-Q378 PolarHBondContact O-N 3.43Å; A375-M379 PolarHBondContact O-N 3.45Å |
| 376 | Q | 78.6 | Confident | 71.5 | Confident | 139 Ų | 139 | 123.4 Ų | 123.4 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.2 | -40.5 | 173.9 | -77.8 | -177.2 | -13.4 | 0 | 0 | 112.3 | R372 M373 M379 Q380 | R372-Q376 PolarHBondContact O-N 3.02Å; M373-Q376 PolarHBondContact O-N 3Å; Q376-M379 PolarHBondContact O-N 3.37Å; Q376-Q380 PolarHBondContact O-N 3.26Å |
| 377 | M | 73.2 | Confident | 69.4 | Low | 140 Ų | 140 | 125.8 Ų | 125.8 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.3 | -38.5 | 177.3 | -161.3 | 175.8 | -170.8 | 0 | 0 | 111.8 | M373 Q374 Q380 M381 | M373-M377 WeakPolarHBondContact O-CB 3.39Å; M373-M377 PolarHBondContact O-N 3.32Å; Q374-M377 PolarHBondContact O-N 3.38Å; M377-Q380 PolarHBondContact O-N 3.06Å; M377-M381 PolarHBondContact O-N 3.12Å |
| 378 | Q | 70.7 | Confident | 67.3 | Low | 141 Ų | 141 | 123.2 Ų | 123.2 | 66% | 0.659 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67.4 | -39 | 173.6 | -76.6 | -179.9 | 4.1 | 0 | 0 | 112.6 | Q374 A375 M381 Q382 | Q374-Q378 WeakPolarHBondContact O-CG 3.48Å; Q374-Q378 PolarHBondContact O-N 3.35Å; A375-Q378 PolarHBondContact O-N 3.43Å; Q378-M381 PolarHBondContact O-N 2.92Å; Q378-Q382 PolarHBondContact O-N 2.97Å; Q378-Q382 VanDerWaalsContact O-N 3.12Å |
| 379 | M | 68.4 | Low | 64.9 | Low | 155 Ų | 155 | 121.3 Ų | 121.3 | 76% | 0.764 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -64.8 | -37.3 | 174.1 | -94.7 | -174.9 | 168.2 | 0 | 0 | 112.6 | A375 Q376 M381 Q382 G383 | A375-M379 PolarHBondContact O-N 3.45Å; Q376-M379 PolarHBondContact O-N 3.37Å; M379-M381 VanDerWaalsContact C-N 3.34Å; M379-Q382 PolarHBondContact O-N 2.96Å; M379-G383 PolarHBondContact O-N 3.49Å |
| 380 | Q | 63.1 | Low | 63 | Low | 162 Ų | 162 | 119.4 Ų | 119.4 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 173.6 | -94.3 | -179.8 | 1.1 | 0 | 0 | 112.8 | Q376 M377 Q382 | Q376-Q380 PolarHBondContact O-N 3.26Å; M377-Q380 PolarHBondContact O-N 3.06Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å |
| 381 | M | 58.9 | Low | 61 | Low | 169 Ų | 169 | 124 Ų | 124 | 83% | 0.833 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -72 | -24 | 175.8 | -117.4 | -178 | 167.5 | 0 | 0 | 113.3 | M377 Q378 M379 | M377-M381 PolarHBondContact O-N 3.12Å; Q378-M381 PolarHBondContact O-N 2.92Å; M379-M381 VanDerWaalsContact C-N 3.34Å |
| 382 | Q | 56.6 | Low | 58.5 | Low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -92.7 | -10.3 | -179.8 | -124.3 | 170.1 | 49.2 | 0 | 0 | 114.2 | Q378 M379 Q380 | Q378-Q382 PolarHBondContact O-N 2.97Å; Q378-Q382 VanDerWaalsContact O-N 3.12Å; M379-Q382 PolarHBondContact O-N 2.96Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å |
| 383 | G | 53.1 | Low | 56.4 | Low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -94.7 | 8.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M379 | M379-G383 PolarHBondContact O-N 3.49Š|
| 384 | G | 47.9 | Very low | 54.5 | Low | 61 Ų | 61 | 127.4 Ų | 127.4 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -100.4 | -5.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 385 | D | 51.5 | Low | 53 | Low | 175 Ų | 175 | 131.3 Ų | 131.3 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -122.4 | 103.2 | -178.2 | -87.1 | -29.7 | 0 | 0 | 0 | 112 | ||||
| 386 | G | 41.1 | Very low | 51.5 | Low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | 148.5 | 87.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 387 | D | 40.2 | Very low | 50.1 | Low | 175 Ų | 175 | 135.1 Ų | 135.1 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | 172.2 | 138.2 | 111.9 | -165 | 20.4 | 0 | 0 | 0 | 112.1 | |||||
| 388 | G | 38.5 | Very low | 48.8 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | 146.5 | 73.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 389 | G | 38 | Very low | 47.6 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | -86.7 | -174.5 | -171 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 390 | A | 42.4 | Very low | 46.3 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | 61.9 | 139.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 391 | L | 44.1 | Very low | 45.1 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 93% | 0.927 | 84% | 0.841 | S | S | * | * | cis | -171.4 | 149.2 | 6.3 | -101.9 | 160.7 | 0 | 0 | 0 | 104.9 | ||||
| 392 | G | 35.2 | Very low | 44.2 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | trans | 178.9 | 93.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 393 | H | 42.5 | Very low | 43.2 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | trans | -39.6 | 141.6 | 165 | -105.1 | 60.1 | 0 | 0 | 0 | 114.6 | ||||
| 394 | H | 38.9 | Very low | 42.4 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 84% | 0.838 | 85% | 0.85 | S | S | * | * | -161.5 | 115.2 | 124.6 | -110.2 | -58.3 | 0 | 0 | 0 | 112.4 | |||||
| 395 | V | 48.2 | Very low | 41.9 | Very low | 201 Ų | 201 | 135.1 Ų | 135.1 | 100% | 1.218 | 87% | 0.87 | S | S | * | * | trans | 65.3 | 0 | 159.5 | -158.1 | 0 | 0 | 0 | 0 | 118.7 |
Retrieved 395 of 395 residues in 140.6 ms
(Link to these results)