| 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 | 46.2 | Very low | 39.6 | Very low | 254 Ų | 254 | 131 Ų | 131 | 100% | 1.251 | 78% | 0.781 | S | S | * | * | 0 | 112.6 | 0 | -80.5 | -179.8 | 164.6 | 0 | 0 | 107.9 | |||||
| 2 | G | 43.9 | Very low | 39.5 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | 145.3 | 68.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | S | 38.7 | Very low | 39.3 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -165.3 | 33.6 | 162.4 | -165.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 4 | L | 37.8 | Very low | 39.2 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -124.2 | -4.9 | 177.6 | -94 | 155.3 | 0 | 0 | 0 | 114.5 | ||
| 5 | T | 43.4 | Very low | 38.8 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -91.4 | -9.6 | -175.5 | -27.5 | 0 | 0 | 0 | 0 | 114 | ||
| 6 | V | 39.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -94.3 | -19.3 | -173.7 | -177.3 | 0 | 0 | 0 | 0 | 113.6 | F8 | V6-F8 PolarHBondContact O-N 3.1Š|
| 7 | M | 37.1 | Very low | 38.2 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -76.4 | -20.8 | -178.3 | -83.2 | -103.2 | -146.5 | 0 | 0 | 114.5 | ||
| 8 | F | 37.8 | Very low | 38.1 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -84.9 | -18.8 | -178.2 | -84.7 | -80.5 | 0 | 0 | 0 | 114.2 | V6 | V6-F8 PolarHBondContact O-N 3.1Š|
| 9 | A | 37.9 | Very low | 37.9 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 60% | 0.603 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -20.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 10 | C | 33 | Very low | 37.9 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -19.1 | -175.7 | -143.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 11 | S | 39.6 | Very low | 37.7 | Very low | 72 Ų | 72 | 138 Ų | 138 | 50% | 0.503 | 76% | 0.762 | S | S | . | * | H | α-helix | trans | -81 | -27.2 | -178.1 | -169.9 | 0 | 0 | 0 | 0 | 113.5 | T14 | S11-T14 PolarHBondContact O-OG1 3.2Å |
| 12 | A | 38.2 | Very low | 37 | Very low | 75 Ų | 75 | 132 Ų | 132 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -77.7 | -22.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 13 | K | 37.8 | Very low | 36.5 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -84.9 | -25.6 | -179.1 | -77.2 | -177 | 176.6 | -179.4 | 0 | 113.6 | ||
| 14 | T | 37.2 | Very low | 36.2 | Very low | 89 Ų | 89 | 135 Ų | 135 | 55% | 0.546 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -78.7 | -27 | -179.3 | 35.2 | 0 | 0 | 0 | 0 | 113.4 | S11 K16 | S11-T14 PolarHBondContact O-OG1 3.2Å; T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 3.32Å |
| 15 | L | 34.1 | Very low | 35.9 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -18.5 | 176.8 | -98.3 | 112.4 | 0 | 0 | 0 | 114.5 | ||
| 16 | K | 33.9 | Very low | 35.4 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -17 | -179.7 | -134.2 | 173.4 | -175.3 | 179 | 0 | 113.4 | T14 | T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 3.32Å |
| 17 | M | 32.3 | Very low | 35 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -90.3 | -12 | -177.7 | -97.3 | -163.7 | 79.5 | 0 | 0 | 115.4 | ||
| 18 | I | 36.7 | Very low | 34.6 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -94.2 | -5.3 | -173.8 | -60.2 | 175.3 | 0 | 0 | 0 | 112.6 | ||
| 19 | K | 34.4 | Very low | 34.4 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -84.5 | -6.5 | -175.8 | -159.6 | 173.3 | 177.3 | -176.1 | 0 | 115 | ||
| 20 | N | 38 | Very low | 34 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -118.4 | 18.4 | -163.2 | -117.5 | 35.9 | 0 | 0 | 0 | 118.1 | ||
| 21 | N | 34.5 | Very low | 34.2 | Very low | 140 Ų | 140 | 154 Ų | 154 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -141.5 | 92.1 | 174 | -90.1 | -19.8 | 0 | 0 | 0 | 112.6 | ||||
| 22 | S | 31.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 158.6 Ų | 158.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -131.8 | 83.2 | 161.4 | -63.9 | 0 | 0 | 0 | 0 | 108.5 | A24 | S22-A24 PolarHBondContact O-N 3.36Š| ||
| 23 | H | 32.7 | Very low | 33.7 | Very low | 168 Ų | 168 | 160.2 Ų | 160.2 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | trans | -74.1 | 121.5 | 166 | -79.9 | -82.1 | 0 | 0 | 0 | 109 | I25 | H23-I25 PolarHBondContact O-N 3.18Š| ||
| 24 | A | 31.7 | Very low | 33.7 | Very low | 91 Ų | 91 | 163.3 Ų | 163.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -66.4 | 124.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | S22 | S22-A24 PolarHBondContact O-N 3.36Š| ||
| 25 | I | 32.8 | Very low | 33.4 | Very low | 150 Ų | 150 | 167 Ų | 167 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -110.9 | 109 | 171.3 | -57.9 | 178.6 | 0 | 0 | 0 | 107.8 | H23 | H23-I25 PolarHBondContact O-N 3.18Š| ||
| 26 | Y | 31.4 | Very low | 33.5 | Very low | 227 Ų | 227 | 165.5 Ų | 165.5 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -79.6 | 125.3 | 170.4 | -98.9 | -97.9 | 0 | 0 | 0 | 109.7 | ||||
| 27 | F | 32.3 | Very low | 33.5 | Very low | 196 Ų | 196 | 164 Ų | 164 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -96 | 110 | 172.7 | -132.2 | -89.2 | 0 | 0 | 0 | 110.3 | ||||
| 28 | K | 29.3 | Very low | 33.3 | Very low | 189 Ų | 189 | 164.7 Ų | 164.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -69.6 | 128.2 | 168.8 | -97.7 | -177.6 | 175 | -177.7 | 0 | 109.3 | T30 | K28-T30 PolarHBondContact O-N 3.18Š| ||
| 29 | R | 32.3 | Very low | 33 | Very low | 254 Ų | 254 | 166.6 Ų | 166.6 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | trans | -75.1 | 116.3 | 169 | -109.9 | 177.7 | 175.2 | 177.6 | -1.2 | 109.1 | ||||
| 30 | T | 30.9 | Very low | 33 | Very low | 132 Ų | 132 | 166.4 Ų | 166.4 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -107.9 | 118.4 | 170.5 | -31.2 | 0 | 0 | 0 | 0 | 108.7 | K28 | K28-T30 PolarHBondContact O-N 3.18Š| ||
| 31 | L | 36.3 | Very low | 32.7 | Very low | 171 Ų | 171 | 165 Ų | 165 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -67.5 | 132.8 | 170.9 | -77.9 | 146.3 | 0 | 0 | 0 | 109.7 | ||||
| 32 | L | 33.7 | Very low | 32.7 | Very low | 167 Ų | 167 | 167.3 Ų | 167.3 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -106.8 | 140.6 | 167.5 | -90.2 | 162.2 | 0 | 0 | 0 | 110.1 | ||||
| 33 | P | 33.2 | Very low | 32.7 | Very low | 109 Ų | 109 | 164.8 Ų | 164.8 | 71% | 0.708 | 83% | 0.826 | S | S | * | * | trans | -90.2 | 160.8 | -171.4 | 36.4 | -33.2 | 0 | 0 | 0 | 113.2 | ||||
| 34 | R | 39.2 | Very low | 32.6 | Very low | 245 Ų | 245 | 165.6 Ų | 165.6 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -68.6 | 144 | 172.1 | -69.1 | 176.6 | 171.8 | 177.6 | -3.4 | 111.6 | ||||
| 35 | L | 30.5 | Very low | 32.7 | Very low | 168 Ų | 168 | 167.8 Ų | 167.8 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | -136.3 | 158.3 | 156.5 | -106.6 | 116.1 | 0 | 0 | 0 | 111.1 | ||||
| 36 | P | 36.2 | Very low | 32.7 | Very low | 103 Ų | 103 | 165.9 Ų | 165.9 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | trans | -112.9 | 160 | -146.3 | 40.2 | -30 | 0 | 0 | 0 | 116 | ||||
| 37 | L | 32.4 | Very low | 32.9 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 80% | 0.801 | 83% | 0.827 | S | S | * | * | trans | 29.2 | 153.2 | 138.6 | -113.3 | 117.8 | 0 | 0 | 0 | 123.8 | ||||
| 38 | F | 30.1 | Very low | 32.9 | Very low | 181 Ų | 181 | 162.7 Ų | 162.7 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 85.1 | 135.9 | 174.7 | -84.4 | -90.1 | 0 | 0 | 0 | 115.6 | ||||
| 39 | K | 30.2 | Very low | 33 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | cis | -159.1 | 139.7 | 27.3 | -165.8 | 161.5 | -170 | -177 | 0 | 110.1 | ||||
| 40 | Q | 34.3 | Very low | 33.5 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -78.6 | 130.7 | 171 | -167.1 | 174 | 12.2 | 0 | 0 | 109 | ||||
| 41 | S | 30.4 | Very low | 33.8 | Very low | 115 Ų | 115 | 157.5 Ų | 157.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -130.7 | 122.4 | 161.5 | 72.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 42 | E | 35 | Very low | 34.3 | Very low | 190 Ų | 190 | 154.7 Ų | 154.7 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -63 | 155.2 | 170.6 | -62.8 | -173.5 | 141.2 | 0 | 0 | 111.9 | ||||
| 43 | G | 31.5 | Very low | 34.7 | Very low | 75 Ų | 75 | 150.5 Ų | 150.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 128.3 | 111.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 44 | K | 30.3 | Very low | 35.5 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 92.2 | 95.4 | 147 | -136.9 | 165.2 | -173.5 | 173.6 | 0 | 117 | I46 | K44-I46 HydrophobicContact CG-CG1 4.18Å; K44-I46 PolarHBondContact O-N 3.05Å | ||
| 45 | C | 33.6 | Very low | 35.9 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | -57.7 | 111.8 | 153.6 | -76.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 46 | I | 33.8 | Very low | 36.7 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 56% | 0.564 | 76% | 0.761 | S | S | * | * | trans | -115.7 | 108.3 | 161.4 | -57.6 | 178.5 | 0 | 0 | 0 | 105.7 | K44 F48 | K44-I46 HydrophobicContact CG-CG1 4.18Å; K44-I46 PolarHBondContact O-N 3.05Å; I46-F48 VanDerWaalsContact C-N 3.29Å; I46-F48 HydrophobicContact CB-CD2 4.38Å; I46-F48 HydrophobicContact CG2-CD2 3.57Å; I46-F48 HydrophobicContact CG2-CE2 3.66Å; I46-F48 PolarHBondContact O-N 3.37Å | ||
| 47 | N | 35.3 | Very low | 37.1 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -61.8 | 93.1 | 166.1 | -91.1 | -26.2 | 0 | 0 | 0 | 108 | ||||
| 48 | F | 32.8 | Very low | 37.9 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | -82.6 | 119.6 | 162.9 | -101.2 | -84.7 | 0 | 0 | 0 | 108.5 | I46 | I46-F48 VanDerWaalsContact C-N 3.29Å; I46-F48 HydrophobicContact CB-CD2 4.38Å; I46-F48 HydrophobicContact CG2-CD2 3.57Å; I46-F48 HydrophobicContact CG2-CE2 3.66Å; I46-F48 PolarHBondContact O-N 3.37Å | ||
| 49 | G | 30.5 | Very low | 39 | Very low | 59 Ų | 59 | 127 Ų | 127 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | -47.1 | 140 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L51 | G49-L51 VanDerWaalsContact C-N 3.28Å; G49-L51 PolarHBondContact O-N 2.83Å | ||
| 50 | R | 43 | Very low | 40.3 | Very low | 245 Ų | 245 | 120 Ų | 120 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | trans | -55.8 | 87.2 | 170 | -162.8 | -176.8 | -147.9 | -169.7 | 5.5 | 109.4 | ||||
| 51 | L | 37 | Very low | 41.5 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | trans | -82.3 | 111.7 | 157 | -96.5 | 102.9 | 0 | 0 | 0 | 107.3 | G49 S53 | G49-L51 VanDerWaalsContact C-N 3.28Å; G49-L51 PolarHBondContact O-N 2.83Å; L51-S53 PolarHBondContact O-N 3.37Å | ||
| 52 | S | 46.5 | Very low | 43.1 | Very low | 112 Ų | 112 | 115.9 Ų | 115.9 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | trans | -50.4 | 104.3 | 171.6 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | S54 | S52-S54 VanDerWaalsContact C-N 3.35Å; S52-S54 PolarHBondContact O-N 3.02Å | ||
| 53 | S | 42.3 | Very low | 44.9 | Very low | 79 Ų | 79 | 113.1 Ų | 113.1 | 55% | 0.552 | 67% | 0.67 | S | S | * | * | trans | -72.2 | 91.2 | 163.5 | -73.1 | 0 | 0 | 0 | 0 | 108.9 | L51 T55 A56 A57 | L51-S53 PolarHBondContact O-N 3.37Å; S53-T55 PolarHBondContact O-N 3.35Å; S53-A56 PolarHBondContact O-N 3.2Å; S53-A56 VanDerWaalsContact O-N 3.14Å; S53-A57 PolarHBondContact O-N 2.99Å | ||
| 54 | S | 50.7 | Low | 47 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -56.8 | -30 | 169.5 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | S52 S58 | S52-S54 VanDerWaalsContact C-N 3.35Å; S52-S54 PolarHBondContact O-N 3.02Å; S54-S58 WeakPolarHBondContact O-CB 3.42Å; S54-S58 PolarHBondContact O-N 2.87Å |
| 55 | T | 46.5 | Very low | 49.4 | Very low | 113 Ų | 113 | 107.5 Ų | 107.5 | 69% | 0.693 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.8 | -38 | 174.9 | -39.6 | 0 | 0 | 0 | 0 | 113 | S53 S58 A59 | S53-T55 PolarHBondContact O-N 3.35Å; T55-S58 PolarHBondContact O-N 3.34Å; T55-A59 WeakPolarHBondContact O-CB 3.29Å; T55-A59 PolarHBondContact O-N 3.36Å |
| 56 | A | 47.3 | Very low | 51.9 | Low | 59 Ų | 59 | 107.4 Ų | 107.4 | 49% | 0.488 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.9 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S53 A59 A60 | S53-A56 PolarHBondContact O-N 3.2Å; S53-A56 VanDerWaalsContact O-N 3.14Å; A56-A59 PolarHBondContact O-N 2.92Å; A56-A60 VanDerWaalsContact O-CB 3.28Å; A56-A60 WeakPolarHBondContact O-CB 3.3Å; A56-A60 PolarHBondContact O-N 3.34Å |
| 57 | A | 46.6 | Very low | 54.4 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.3 | -34.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S53 K61 | S53-A57 PolarHBondContact O-N 2.99Å; A57-K61 WeakPolarHBondContact O-CB 3.38Å; A57-K61 PolarHBondContact O-N 3.39Å; A57-K61 VanDerWaalsContact O-N 3.1Å |
| 58 | S | 49.2 | Very low | 56.9 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71 | -40.6 | 173.6 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | S54 T55 K61 G62 | S54-S58 WeakPolarHBondContact O-CB 3.42Å; S54-S58 PolarHBondContact O-N 2.87Å; T55-S58 PolarHBondContact O-N 3.34Å; S58-K61 PolarHBondContact O-N 2.7Å; S58-G62 PolarHBondContact O-N 2.95Å |
| 59 | A | 52.8 | Low | 59.6 | Low | 56 Ų | 56 | 100.1 Ų | 100.1 | 46% | 0.463 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T55 A56 K61 G62 E63 | T55-A59 WeakPolarHBondContact O-CB 3.29Å; T55-A59 PolarHBondContact O-N 3.36Å; A56-A59 PolarHBondContact O-N 2.92Å; A59-K61 PolarHBondContact O-N 3.21Å; A59-G62 PolarHBondContact O-N 3.29Å; A59-G62 VanDerWaalsContact O-N 3.14Å; A59-E63 PolarHBondContact O-N 3.02Å |
| 60 | A | 56.2 | Low | 62.5 | Low | 45 Ų | 45 | 101.3 Ų | 101.3 | 37% | 0.372 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A56 G62 E63 D64 | A56-A60 VanDerWaalsContact O-CB 3.28Å; A56-A60 WeakPolarHBondContact O-CB 3.3Å; A56-A60 PolarHBondContact O-N 3.34Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 2.88Å; A60-E63 PolarHBondContact O-N 2.92Å; A60-D64 WeakPolarHBondContact O-CB 3.5Å; A60-D64 PolarHBondContact O-N 2.96Å |
| 61 | K | 60 | Low | 64.8 | Low | 170 Ų | 170 | 92.5 Ų | 92.5 | 74% | 0.739 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -36.4 | 173.8 | -108.5 | -176.5 | 176.4 | -179.8 | 0 | 112.8 | A57 S58 A59 S65 | A57-K61 WeakPolarHBondContact O-CB 3.38Å; A57-K61 PolarHBondContact O-N 3.39Å; A57-K61 VanDerWaalsContact O-N 3.1Å; S58-K61 PolarHBondContact O-N 2.7Å; A59-K61 PolarHBondContact O-N 3.21Å; K61-S65 WeakPolarHBondContact O-CB 3.43Å; K61-S65 PolarHBondContact O-N 3.01Å; K61-S65 VanDerWaalsContact O-N 3.13Å |
| 62 | G | 64.9 | Low | 67.4 | Low | 44 Ų | 44 | 87 Ų | 87 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S58 A59 A60 S65 F66 | S58-G62 PolarHBondContact O-N 2.95Å; A59-G62 PolarHBondContact O-N 3.29Å; A59-G62 VanDerWaalsContact O-N 3.14Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 2.88Å; G62-S65 PolarHBondContact O-N 3.08Å; G62-F66 WeakPolarHBondContact O-CB 3.01Å; G62-F66 PolarHBondContact O-N 2.87Å |
| 63 | E | 71.5 | Confident | 69.6 | Low | 132 Ų | 132 | 86.4 Ų | 86.4 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 176.1 | -71.9 | -176.8 | 146.8 | 0 | 0 | 112.4 | A59 A60 S65 F66 L67 | A59-E63 PolarHBondContact O-N 3.02Å; A60-E63 PolarHBondContact O-N 2.92Å; E63-S65 PolarHBondContact O-N 3.4Å; E63-F66 PolarHBondContact O-N 3.39Å; E63-L67 WeakPolarHBondContact O-CB 3.3Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.32Å; E63-L67 PolarHBondContact O-N 3.4Å |
| 64 | D | 75.5 | Confident | 72.1 | Confident | 86 Ų | 86 | 86.3 Ų | 86.3 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 175.4 | -85.8 | -21.2 | 0 | 0 | 0 | 112.4 | A60 K68 | A60-D64 WeakPolarHBondContact O-CB 3.5Å; A60-D64 PolarHBondContact O-N 2.96Å; D64-K68 WeakPolarHBondContact O-CB 3.38Å; D64-K68 WeakPolarHBondContact O-CD 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.16Å; D64-K68 PolarHBondContact O-N 3.41Å |
| 65 | S | 81.7 | Confident | 74.2 | Confident | 55 Ų | 55 | 82.3 Ų | 82.3 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | K61 G62 E63 K68 W69 | K61-S65 WeakPolarHBondContact O-CB 3.43Å; K61-S65 PolarHBondContact O-N 3.01Å; K61-S65 VanDerWaalsContact O-N 3.13Å; G62-S65 PolarHBondContact O-N 3.08Å; E63-S65 PolarHBondContact O-N 3.4Å; S65-K68 WeakPolarHBondContact O-CB 3.28Å; S65-K68 PolarHBondContact O-N 2.77Å; S65-W69 PolarHBondContact O-N 2.59Å |
| 66 | F | 86.2 | Confident | 76.5 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.7 | -47 | 176.2 | 177.6 | -102.1 | 0 | 0 | 0 | 112 | G62 E63 K68 W69 L70 | G62-F66 WeakPolarHBondContact O-CB 3.01Å; G62-F66 PolarHBondContact O-N 2.87Å; E63-F66 PolarHBondContact O-N 3.39Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 3.34Å; F66-W69 PolarHBondContact O-N 2.77Å; F66-L70 HydrophobicContact CE1-CD2 4.02Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.27Å; F66-L70 WeakPolarHBondContact O-CB 3.48Å; F66-L70 PolarHBondContact O-N 3.35Å |
| 67 | L | 86.3 | Confident | 78.8 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 37% | 0.366 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 177 | -74.8 | 166.4 | 0 | 0 | 0 | 112.6 | E63 L71 | E63-L67 WeakPolarHBondContact O-CB 3.3Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.32Å; E63-L67 PolarHBondContact O-N 3.4Å; L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.11Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.78Å |
| 68 | K | 87.6 | Confident | 81.1 | Confident | 66 Ų | 66 | 79 Ų | 79 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 173.9 | -79.2 | 167.3 | -169.3 | -175.5 | 0 | 111.4 | D64 S65 F66 L72 W294 F298 | D64-K68 WeakPolarHBondContact O-CB 3.38Å; D64-K68 WeakPolarHBondContact O-CD 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.16Å; D64-K68 PolarHBondContact O-N 3.41Å; S65-K68 WeakPolarHBondContact O-CB 3.28Å; S65-K68 PolarHBondContact O-N 2.77Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 3.34Å; K68-L72 PolarHBondContact O-N 2.77Å; K68-W294 PolarHBondContact O-NE1 3.47Å; K68-F298 HydrophobicContact CB-CE1 4.47Å; K68-F298 HydrophobicContact CB-CE2 4.41Å; K68-F298 HydrophobicContact CB-CZ 4.32Å; K68-F298 HydrophobicContact CD-CD1 3.93Å; K68-F298 HydrophobicContact CD-CE1 4.21Å; K68-F298 HydrophobicContact CD-CG 4.32Å; K68-F298 HydrophobicContact CG-CB 4.33Å; K68-F298 HydrophobicContact CG-CD1 3.33Å; K68-F298 HydrophobicContact CG-CD2 3.9Å; K68-F298 HydrophobicContact CG-CE1 3.31Å; K68-F298 HydrophobicContact CG-CE2 3.89Å; K68-F298 HydrophobicContact CG-CG 3.61Å; K68-F298 HydrophobicContact CG-CZ 3.58Å |
| 69 | W | 89.3 | Confident | 83.3 | Confident | 177 Ų | 177 | 80.5 Ų | 80.5 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -71 | -38.5 | -179 | -68.3 | 112.2 | 0 | 0 | 0 | 112.3 | S65 F66 L71 L72 L73 | S65-W69 PolarHBondContact O-N 2.59Å; F66-W69 PolarHBondContact O-N 2.77Å; W69-L71 PolarHBondContact O-N 3.5Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.1Å; W69-L72 WeakPolarHBondContact O-CB 3.27Å; W69-L72 PolarHBondContact O-N 2.83Å; W69-L73 PolarHBondContact O-N 2.81Å |
| 70 | L | 91 | Very high | 85.4 | Confident | 84 Ų | 84 | 79.7 Ų | 79.7 | 44% | 0.44 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.9 | -177.3 | 66.2 | 0 | 0 | 0 | 111.7 | F66 L72 L73 | F66-L70 HydrophobicContact CE1-CD2 4.02Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.27Å; F66-L70 WeakPolarHBondContact O-CB 3.48Å; F66-L70 PolarHBondContact O-N 3.35Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 2.84Å; L70-L73 VanDerWaalsContact O-CB 3.24Å; L70-L73 WeakPolarHBondContact O-CB 3.34Å; L70-L73 PolarHBondContact O-N 2.98Å |
| 71 | L | 90.7 | Very high | 87.2 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 31% | 0.314 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.8 | -25.1 | 178.9 | -72.5 | 170.2 | 0 | 0 | 0 | 113 | L67 W69 L73 I74 P75 F298 | L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.11Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.78Å; W69-L71 PolarHBondContact O-N 3.5Å; L71-L73 PolarHBondContact O-N 2.79Å; L71-I74 HydrophobicContact CD2-CD1 4.19Å; L71-I74 PolarHBondContact O-N 3.42Å; L71-P75 VanDerWaalsContact O-CD 3.25Å; L71-P75 WeakPolarHBondContact O-CD 3.35Å; L71-F298 HydrophobicContact CB-CE2 4.49Å; L71-F298 HydrophobicContact CD1-CE2 3.82Å; L71-F298 HydrophobicContact CD1-CZ 3.94Å |
| 72 | L | 92.1 | Very high | 88.8 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.5 | -22 | 173.9 | -161.7 | 94.1 | 0 | 0 | 0 | 112.3 | K68 W69 L70 I74 P75 V76 W294 | K68-L72 PolarHBondContact O-N 2.77Å; W69-L72 HydrophobicContact CE3-CD2 4.14Å; W69-L72 HydrophobicContact CZ3-CD2 4.1Å; W69-L72 WeakPolarHBondContact O-CB 3.27Å; W69-L72 PolarHBondContact O-N 2.83Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 2.84Å; L72-I74 PolarHBondContact O-N 3.24Å; L72-P75 WeakPolarHBondContact O-CD 3.46Å; L72-P75 VanDerWaalsContact O-CG 3.28Å; L72-P75 WeakPolarHBondContact O-CG 3.26Å; L72-V76 HydrophobicContact CD2-CG2 4.49Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.38Å; L72-V76 PolarHBondContact O-N 3.24Å; L72-W294 HydrophobicContact CD1-CD2 3.69Å; L72-W294 VanDerWaalsContact CD1-CE2 3.41Å; L72-W294 HydrophobicContact CD1-CE3 3.99Å; L72-W294 HydrophobicContact CD1-CG 4.29Å; L72-W294 HydrophobicContact CD1-CH2 3.88Å; L72-W294 HydrophobicContact CD1-CZ2 3.54Å; L72-W294 HydrophobicContact CD1-CZ3 4.08Å |
| 73 | L | 94.2 | Very high | 90.3 | Very high | 101 Ų | 101 | 72.5 Ų | 72.5 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -32 | 177.1 | -170.3 | 68.4 | 0 | 0 | 0 | 112.2 | W69 L70 L71 V76 T77 | W69-L73 PolarHBondContact O-N 2.81Å; L70-L73 VanDerWaalsContact O-CB 3.24Å; L70-L73 WeakPolarHBondContact O-CB 3.34Å; L70-L73 PolarHBondContact O-N 2.98Å; L71-L73 PolarHBondContact O-N 2.79Å; L73-V76 PolarHBondContact O-N 2.89Å; L73-T77 HydrophobicContact CD1-CG2 4.22Å; L73-T77 HydrophobicContact CG-CG2 4.09Å; L73-T77 WeakPolarHBondContact O-CB 3.34Å; L73-T77 VanDerWaalsContact O-CG2 3.23Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.45Å; L73-T77 PolarHBondContact O-OG1 2.83Å |
| 74 | I | 93.2 | Very high | 91.3 | Very high | 77 Ų | 77 | 72.8 Ų | 72.8 | 40% | 0.395 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.1 | -54.3 | -177.8 | -55.9 | 173.3 | 0 | 0 | 0 | 112.1 | L71 L72 V76 T77 T78 T290 | L71-I74 HydrophobicContact CD2-CD1 4.19Å; L71-I74 PolarHBondContact O-N 3.42Å; L72-I74 PolarHBondContact O-N 3.24Å; I74-V76 VanDerWaalsContact C-N 3.31Å; I74-V76 PolarHBondContact O-N 3.44Å; I74-T77 PolarHBondContact O-N 3.18Å; I74-T77 PolarHBondContact O-OG1 2.74Å; I74-T78 WeakPolarHBondContact O-CG2 3.38Å; I74-T78 PolarHBondContact O-N 3.49Å; I74-T78 PolarHBondContact O-OG1 3.33Å; I74-T290 HydrophobicContact CG2-CG2 3.79Å |
| 75 | P | 94.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 69.7 Ų | 69.7 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.4 | -36 | 175.7 | 21.4 | -31.4 | 0 | 0 | 0 | 112.6 | L71 L72 T78 F79 S291 | L71-P75 VanDerWaalsContact O-CD 3.25Å; L71-P75 WeakPolarHBondContact O-CD 3.35Å; L72-P75 WeakPolarHBondContact O-CD 3.46Å; L72-P75 VanDerWaalsContact O-CG 3.28Å; L72-P75 WeakPolarHBondContact O-CG 3.26Å; P75-T78 WeakPolarHBondContact CA-OG1 3.36Å; P75-T78 PolarHBondContact O-OG1 2.63Å; P75-T78 VanDerWaalsContact O-OG1 3.13Å; P75-F79 VanDerWaalsContact O-CB 3.23Å; P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 2.9Å; P75-S291 WeakPolarHBondContact CB-OG 3.33Å |
| 76 | V | 95.4 | Very high | 92.6 | Very high | 87 Ų | 87 | 69.2 Ų | 69.2 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L72 L73 I74 G80 | L72-V76 HydrophobicContact CD2-CG2 4.49Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.38Å; L72-V76 PolarHBondContact O-N 3.24Å; L73-V76 PolarHBondContact O-N 2.89Å; I74-V76 VanDerWaalsContact C-N 3.31Å; I74-V76 PolarHBondContact O-N 3.44Å; V76-G80 PolarHBondContact O-N 3.02Å |
| 77 | T | 95.1 | Very high | 92.9 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 179.5 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | L73 I74 F79 G80 L81 | L73-T77 HydrophobicContact CD1-CG2 4.22Å; L73-T77 HydrophobicContact CG-CG2 4.09Å; L73-T77 WeakPolarHBondContact O-CB 3.34Å; L73-T77 VanDerWaalsContact O-CG2 3.23Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.45Å; L73-T77 PolarHBondContact O-OG1 2.83Å; I74-T77 PolarHBondContact O-N 3.18Å; I74-T77 PolarHBondContact O-OG1 2.74Å; T77-F79 PolarHBondContact O-N 3.44Å; T77-G80 PolarHBondContact O-N 3.3Å; T77-L81 WeakPolarHBondContact O-CG 3.42Å; T77-L81 PolarHBondContact O-N 2.76Å |
| 78 | T | 95.5 | Very high | 93 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | I74 P75 L81 G82 W283 L286 C287 | I74-T78 WeakPolarHBondContact O-CG2 3.38Å; I74-T78 PolarHBondContact O-N 3.49Å; I74-T78 PolarHBondContact O-OG1 3.33Å; P75-T78 WeakPolarHBondContact CA-OG1 3.36Å; P75-T78 PolarHBondContact O-OG1 2.63Å; P75-T78 VanDerWaalsContact O-OG1 3.13Å; T78-L81 PolarHBondContact O-N 2.79Å; T78-G82 PolarHBondContact O-N 2.84Å; T78-W283 HydrophobicContact CG2-CE3 3.86Å; T78-W283 HydrophobicContact CG2-CZ3 4Å; T78-L286 HydrophobicContact CG2-CB 4.17Å; T78-C287 VanDerWaalsContact OG1-CA 3.3Å; T78-C287 WeakPolarHBondContact OG1-CA 3.49Å; T78-C287 WeakPolarHBondContact OG1-CB 3.44Å |
| 79 | F | 95.9 | Very high | 93.1 | Very high | 111 Ų | 111 | 71.1 Ų | 71.1 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 170.1 | -175.4 | -96.2 | 0 | 0 | 0 | 112.3 | P75 T77 G82 T83 Y284 | P75-F79 VanDerWaalsContact O-CB 3.23Å; P75-F79 WeakPolarHBondContact O-CB 3.46Å; P75-F79 PolarHBondContact O-N 2.9Å; T77-F79 PolarHBondContact O-N 3.44Å; F79-G82 PolarHBondContact O-N 3.35Å; F79-T83 WeakPolarHBondContact O-CB 3.46Å; F79-T83 PolarHBondContact O-N 3.08Å; F79-T83 PolarHBondContact O-OG1 3.17Å; F79-Y284 HydrophobicContact CD2-CD1 4.2Å; F79-Y284 AromaticContact CD2-CE1 3.77Å; F79-Y284 HydrophobicContact CD2-CE1 3.77Å; F79-Y284 AromaticContact CE2-CE1 3.9Å; F79-Y284 HydrophobicContact CE2-CE1 3.9Å |
| 80 | G | 95.8 | Very high | 93.1 | Very high | 39 Ų | 39 | 67.6 Ų | 67.6 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V76 T77 T83 W84 | V76-G80 PolarHBondContact O-N 3.02Å; T77-G80 PolarHBondContact O-N 3.3Å; G80-T83 PolarHBondContact O-N 3.5Å; G80-W84 WeakPolarHBondContact O-CB 3.21Å; G80-W84 PolarHBondContact O-N 2.82Å |
| 81 | L | 95 | Very high | 93 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.4 | -70.1 | 172 | 0 | 0 | 0 | 112 | T77 T78 W84 Q85 W283 | T77-L81 WeakPolarHBondContact O-CG 3.42Å; T77-L81 PolarHBondContact O-N 2.76Å; T78-L81 PolarHBondContact O-N 2.79Å; L81-W84 PolarHBondContact O-N 3.28Å; L81-Q85 VanDerWaalsContact O-CG 3.28Å; L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.42Å; L81-W283 HydrophobicContact CB-CD2 3.77Å; L81-W283 HydrophobicContact CB-CE3 4.01Å; L81-W283 HydrophobicContact CB-CG 4.06Å; L81-W283 HydrophobicContact CD1-CD2 4.19Å; L81-W283 HydrophobicContact CD1-CE3 3.8Å; L81-W283 HydrophobicContact CD1-CH2 3.52Å; L81-W283 HydrophobicContact CD1-CZ2 3.92Å; L81-W283 HydrophobicContact CD1-CZ3 3.45Å; L81-W283 VanDerWaalsContact CD1-CZ3 3.45Å |
| 82 | G | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T78 F79 W84 Q85 V86 | T78-G82 PolarHBondContact O-N 2.84Å; F79-G82 PolarHBondContact O-N 3.35Å; G82-W84 VanDerWaalsContact C-N 3.34Å; G82-W84 PolarHBondContact O-N 2.97Å; G82-Q85 PolarHBondContact O-N 3.37Å; G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 2.82Å; G82-V86 VanDerWaalsContact O-N 3.11Å |
| 83 | T | 94.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 24% | 0.239 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | F79 G80 Q85 V86 K87 Y284 | F79-T83 WeakPolarHBondContact O-CB 3.46Å; F79-T83 PolarHBondContact O-N 3.08Å; F79-T83 PolarHBondContact O-OG1 3.17Å; G80-T83 PolarHBondContact O-N 3.5Å; T83-Q85 VanDerWaalsContact C-N 3.35Å; T83-Q85 PolarHBondContact O-N 3.19Å; T83-V86 PolarHBondContact O-N 2.88Å; T83-K87 PolarHBondContact O-N 3.32Å; T83-K87 VanDerWaalsContact O-N 3.13Å; T83-Y284 WeakPolarHBondContact CA-OH 3.09Å; T83-Y284 PolarHBondContact N-OH 3.42Å; T83-Y284 PolarHBondContact OG1-OH 2.88Å |
| 84 | W | 93.4 | Very high | 92.3 | Very high | 138 Ų | 138 | 71.9 Ų | 71.9 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.7 | 177.2 | 81.5 | 0 | 0 | 0 | 111.8 | G80 L81 G82 V86 K87 R88 | G80-W84 WeakPolarHBondContact O-CB 3.21Å; G80-W84 PolarHBondContact O-N 2.82Å; L81-W84 PolarHBondContact O-N 3.28Å; G82-W84 VanDerWaalsContact C-N 3.34Å; G82-W84 PolarHBondContact O-N 2.97Å; W84-V86 VanDerWaalsContact C-N 3.34Å; W84-V86 PolarHBondContact O-N 2.93Å; W84-K87 PolarHBondContact O-N 2.85Å; W84-R88 HydrophobicContact CH2-CG 4.37Å; W84-R88 HydrophobicContact CZ2-CG 4.27Å; W84-R88 WeakPolarHBondContact O-CB 3.43Å; W84-R88 PolarHBondContact O-N 3.25Å |
| 85 | Q | 93.4 | Very high | 91.9 | Very high | 22 Ų | 22 | 70.9 Ų | 70.9 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 177.3 | -68.9 | -73.8 | -3 | 0 | 0 | 112.5 | L81 G82 T83 R88 R89 H276 I280 | L81-Q85 VanDerWaalsContact O-CG 3.28Å; L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.42Å; G82-Q85 PolarHBondContact O-N 3.37Å; T83-Q85 VanDerWaalsContact C-N 3.35Å; T83-Q85 PolarHBondContact O-N 3.19Å; Q85-R88 PolarHBondContact O-N 3.46Å; Q85-R89 WeakPolarHBondContact O-CB 3.44Å; Q85-R89 PolarHBondContact O-N 2.59Å; Q85-H276 PolarHBondContact OE1-ND1 3.27Å; Q85-I280 HydrophobicContact CB-CD1 4.48Å; Q85-I280 HydrophobicContact CB-CG1 3.64Å |
| 86 | V | 91.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 71.5 Ų | 71.5 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.5 | -54.7 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | G82 T83 W84 R88 R89 E90 I280 Y284 | G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 2.82Å; G82-V86 VanDerWaalsContact O-N 3.11Å; T83-V86 PolarHBondContact O-N 2.88Å; W84-V86 VanDerWaalsContact C-N 3.34Å; W84-V86 PolarHBondContact O-N 2.93Å; V86-R88 VanDerWaalsContact C-N 3.28Å; V86-R88 PolarHBondContact O-N 3.31Å; V86-R89 WeakPolarHBondContact O-CB 3.35Å; V86-R89 PolarHBondContact O-N 3.23Å; V86-R89 VanDerWaalsContact O-N 3.14Å; V86-E90 PolarHBondContact O-N 3.21Å; V86-I280 HydrophobicContact CB-CD1 4.46Å; V86-I280 HydrophobicContact CG2-CD1 3.81Å; V86-I280 HydrophobicContact CG2-CG1 3.92Å; V86-I280 HydrophobicContact CG2-CG2 4.15Å; V86-Y284 HydrophobicContact CG2-CE2 4.16Å |
| 87 | K | 91.4 | Very high | 91 | Very high | 141 Ų | 141 | 70 Ų | 70 | 61% | 0.613 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.3 | -40.7 | 179 | -70.7 | -176.9 | 176.2 | -177.8 | 0 | 111.9 | T83 W84 R89 E90 W91 | T83-K87 PolarHBondContact O-N 3.32Å; T83-K87 VanDerWaalsContact O-N 3.13Å; W84-K87 PolarHBondContact O-N 2.85Å; K87-R89 VanDerWaalsContact C-N 3.35Å; K87-E90 PolarHBondContact O-N 3.38Å; K87-W91 WeakPolarHBondContact O-CB 3.33Å; K87-W91 PolarHBondContact O-N 3.38Å |
| 88 | R | 90.1 | Very high | 90.7 | Very high | 100 Ų | 100 | 72.2 Ų | 72.2 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.2 | -172.9 | 63.5 | 173.8 | 178.4 | -0.1 | 111.6 | W84 Q85 V86 K92 | W84-R88 HydrophobicContact CH2-CG 4.37Å; W84-R88 HydrophobicContact CZ2-CG 4.27Å; W84-R88 WeakPolarHBondContact O-CB 3.43Å; W84-R88 PolarHBondContact O-N 3.25Å; Q85-R88 PolarHBondContact O-N 3.46Å; V86-R88 VanDerWaalsContact C-N 3.28Å; V86-R88 PolarHBondContact O-N 3.31Å; R88-K92 WeakPolarHBondContact O-CB 3.33Å; R88-K92 PolarHBondContact O-N 2.63Å; R88-K92 VanDerWaalsContact O-N 3.08Å |
| 89 | R | 88.4 | Confident | 90.1 | Very high | 72 Ų | 72 | 73.1 Ų | 73.1 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 175.2 | -174.3 | -179.8 | 176.9 | -87.3 | -0.1 | 111.5 | Q85 V86 K87 K92 I93 H276 | Q85-R89 WeakPolarHBondContact O-CB 3.44Å; Q85-R89 PolarHBondContact O-N 2.59Å; V86-R89 WeakPolarHBondContact O-CB 3.35Å; V86-R89 PolarHBondContact O-N 3.23Å; V86-R89 VanDerWaalsContact O-N 3.14Å; K87-R89 VanDerWaalsContact C-N 3.35Å; R89-K92 WeakPolarHBondContact O-CB 3.06Å; R89-K92 PolarHBondContact O-N 3.04Å; R89-I93 HydrophobicContact CG-CD1 3.9Å; R89-I93 VanDerWaalsContact NH1-CD1 3.33Å; R89-I93 WeakPolarHBondContact O-CG1 3.11Å; R89-I93 PolarHBondContact O-N 3.05Å; R89-H276 HydrophobicContact CB-CB 3.68Å; R89-H276 HydrophobicContact CG-CB 3.85Å |
| 90 | E | 89.3 | Confident | 89.5 | Confident | 102 Ų | 102 | 74.6 Ų | 74.6 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 179 | -72 | 179.4 | 172.4 | 0 | 0 | 112.2 | V86 K87 K92 I93 K94 | V86-E90 PolarHBondContact O-N 3.21Å; K87-E90 PolarHBondContact O-N 3.38Å; E90-K92 VanDerWaalsContact C-N 3.27Å; E90-K92 PolarHBondContact O-N 3.05Å; E90-I93 PolarHBondContact O-N 3.22Å; E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 3.46Å |
| 91 | W | 88.8 | Confident | 89 | Confident | 131 Ų | 131 | 75.8 Ų | 75.8 | 50% | 0.496 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.9 | -45.6 | 174.3 | 169.6 | 71.8 | 0 | 0 | 0 | 111.5 | K87 K94 L95 | K87-W91 WeakPolarHBondContact O-CB 3.33Å; K87-W91 PolarHBondContact O-N 3.38Å; W91-K94 PolarHBondContact O-N 3.42Å; W91-L95 HydrophobicContact CH2-CD2 4.39Å; W91-L95 HydrophobicContact CZ2-CD2 4.3Å; W91-L95 PolarHBondContact O-N 2.9Å |
| 92 | K | 86.4 | Confident | 88.5 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 179.7 | -170.7 | 175.7 | -171.7 | 167.5 | 0 | 112.6 | R88 R89 E90 L95 I96 L272 R273 | R88-K92 WeakPolarHBondContact O-CB 3.33Å; R88-K92 PolarHBondContact O-N 2.63Å; R88-K92 VanDerWaalsContact O-N 3.08Å; R89-K92 WeakPolarHBondContact O-CB 3.06Å; R89-K92 PolarHBondContact O-N 3.04Å; E90-K92 VanDerWaalsContact C-N 3.27Å; E90-K92 PolarHBondContact O-N 3.05Å; K92-L95 PolarHBondContact O-N 3.47Å; K92-I96 HydrophobicContact CG-CD1 4.3Å; K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.32Å; K92-I96 PolarHBondContact O-N 3.48Å; K92-L272 HydrophobicContact CD-CB 4.45Å; K92-L272 HydrophobicContact CG-CD1 4.16Å; K92-R273 PolarHBondContact NZ-O 3.25Å |
| 93 | I | 86.9 | Confident | 87.9 | Confident | 68 Ų | 68 | 76 Ų | 76 | 35% | 0.349 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 177 | -71.2 | 168.3 | 0 | 0 | 0 | 110.5 | R89 E90 L95 I96 A97 | R89-I93 HydrophobicContact CG-CD1 3.9Å; R89-I93 VanDerWaalsContact NH1-CD1 3.33Å; R89-I93 WeakPolarHBondContact O-CG1 3.11Å; R89-I93 PolarHBondContact O-N 3.05Å; E90-I93 PolarHBondContact O-N 3.22Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.22Å; I93-I96 PolarHBondContact O-N 2.91Å; I93-A97 WeakPolarHBondContact O-CB 3.49Å; I93-A97 PolarHBondContact O-N 2.9Å |
| 94 | K | 89.1 | Confident | 87.3 | Confident | 147 Ų | 147 | 78.6 Ų | 78.6 | 64% | 0.639 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 176.2 | -72 | 177.3 | -179.6 | 179.3 | 0 | 111.6 | E90 W91 I96 A97 E98 | E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 3.46Å; W91-K94 PolarHBondContact O-N 3.42Å; K94-I96 PolarHBondContact O-N 3.3Å; K94-A97 WeakPolarHBondContact O-CB 3.26Å; K94-A97 PolarHBondContact O-N 2.91Å; K94-E98 PolarHBondContact O-N 3.44Å |
| 95 | L | 86.2 | Confident | 87 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 29% | 0.293 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 176.5 | -176.3 | 64.5 | 0 | 0 | 0 | 112.4 | W91 K92 I93 A97 E98 L99 | W91-L95 HydrophobicContact CH2-CD2 4.39Å; W91-L95 HydrophobicContact CZ2-CD2 4.3Å; W91-L95 PolarHBondContact O-N 2.9Å; K92-L95 PolarHBondContact O-N 3.47Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.22Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.94Å; L95-E98 PolarHBondContact O-N 2.88Å; L95-L99 HydrophobicContact CG-CD1 4.45Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.29Å |
| 96 | I | 84.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 11% | 0.113 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.4 | -66.6 | 165.1 | 0 | 0 | 0 | 110.7 | K92 I93 K94 E98 L99 R100 L272 | K92-I96 HydrophobicContact CG-CD1 4.3Å; K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.32Å; K92-I96 PolarHBondContact O-N 3.48Å; I93-I96 PolarHBondContact O-N 2.91Å; K94-I96 PolarHBondContact O-N 3.3Å; I96-E98 VanDerWaalsContact C-N 3.35Å; I96-L99 PolarHBondContact O-N 3.46Å; I96-R100 HydrophobicContact CG2-CG 4.29Å; I96-R100 WeakPolarHBondContact O-CB 3.25Å; I96-R100 VanDerWaalsContact O-CG 3.28Å; I96-R100 WeakPolarHBondContact O-CG 3.29Å; I96-R100 PolarHBondContact O-N 3.45Å; I96-L272 HydrophobicContact CD1-CB 4.09Å; I96-L272 HydrophobicContact CD1-CD1 4.18Å; I96-L272 HydrophobicContact CG1-CB 4.47Å; I96-L272 HydrophobicContact CG1-CD1 3.75Å; I96-L272 HydrophobicContact CG1-CG 4.47Å |
| 97 | A | 86.3 | Confident | 86.8 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I93 K94 L95 R100 S101 | I93-A97 WeakPolarHBondContact O-CB 3.49Å; I93-A97 PolarHBondContact O-N 2.9Å; K94-A97 WeakPolarHBondContact O-CB 3.26Å; K94-A97 PolarHBondContact O-N 2.91Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.94Å; A97-R100 PolarHBondContact O-N 3.38Å; A97-S101 PolarHBondContact O-N 2.96Å |
| 98 | E | 87 | Confident | 86.8 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 174 | -177.5 | 177.2 | -166.4 | 0 | 0 | 111.8 | K94 L95 I96 R100 S101 L102 | K94-E98 PolarHBondContact O-N 3.44Å; L95-E98 PolarHBondContact O-N 2.88Å; I96-E98 VanDerWaalsContact C-N 3.35Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 3.25Å; E98-S101 PolarHBondContact O-N 2.62Å; E98-S101 PolarHBondContact O-OG 3.1Å; E98-L102 WeakPolarHBondContact O-CG 3.39Å; E98-L102 PolarHBondContact O-N 3.16Å; E98-L102 VanDerWaalsContact O-N 3.13Å |
| 99 | L | 84.4 | Confident | 86.9 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.5 | -69.2 | 174.5 | 0 | 0 | 0 | 111.8 | L95 I96 S101 L102 T103 Y122 V270 | L95-L99 HydrophobicContact CG-CD1 4.45Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.29Å; I96-L99 PolarHBondContact O-N 3.46Å; L99-S101 PolarHBondContact O-N 3.22Å; L99-L102 PolarHBondContact O-N 3.25Å; L99-T103 WeakPolarHBondContact O-CG2 3.41Å; L99-T103 PolarHBondContact O-N 3.22Å; L99-T103 PolarHBondContact O-OG1 2.67Å; L99-T103 VanDerWaalsContact O-OG1 3.09Å; L99-Y122 HydrophobicContact CD2-CD1 4.14Å; L99-Y122 HydrophobicContact CD2-CD2 3.5Å; L99-Y122 VanDerWaalsContact CD2-CD2 3.5Å; L99-Y122 HydrophobicContact CD2-CE1 4.36Å; L99-Y122 HydrophobicContact CD2-CE2 3.77Å; L99-Y122 HydrophobicContact CD2-CG 3.71Å; L99-V270 HydrophobicContact CB-CG1 3.69Å |
| 100 | R | 83.4 | Confident | 86.9 | Confident | 143 Ų | 143 | 75.3 Ų | 75.3 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.9 | -79.7 | 178.9 | 177.9 | 178.8 | -3 | 111.7 | I96 A97 E98 L102 T103 S104 V270 | I96-R100 HydrophobicContact CG2-CG 4.29Å; I96-R100 WeakPolarHBondContact O-CB 3.25Å; I96-R100 VanDerWaalsContact O-CG 3.28Å; I96-R100 WeakPolarHBondContact O-CG 3.29Å; I96-R100 PolarHBondContact O-N 3.45Å; A97-R100 PolarHBondContact O-N 3.38Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 3.25Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 2.86Å; R100-T103 WeakPolarHBondContact CA-OG1 3.24Å; R100-T103 CarbonylContact O-C 3.58Å; R100-T103 PolarHBondContact O-N 3.22Å; R100-T103 PolarHBondContact O-OG1 2.9Å; R100-S104 WeakPolarHBondContact O-CB 3.21Å; R100-S104 PolarHBondContact O-N 2.83Å; R100-S104 PolarHBondContact O-OG 3.36Å; R100-S104 VanDerWaalsContact O-OG 3.06Å; R100-V270 HydrophobicContact CG-CG1 4.01Å |
| 101 | S | 84.8 | Confident | 86.7 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 179.6 | 71.5 | 0 | 0 | 0 | 0 | 111 | A97 E98 L99 T103 S104 V105 | A97-S101 PolarHBondContact O-N 2.96Å; E98-S101 PolarHBondContact O-N 2.62Å; E98-S101 PolarHBondContact O-OG 3.1Å; L99-S101 PolarHBondContact O-N 3.22Å; S101-T103 VanDerWaalsContact C-N 3.32Å; S101-T103 PolarHBondContact O-N 2.89Å; S101-S104 PolarHBondContact O-N 2.99Å; S101-S104 VanDerWaalsContact O-N 3.09Å; S101-V105 WeakPolarHBondContact O-CG2 3.3Å; S101-V105 PolarHBondContact O-N 3.03Å |
| 102 | L | 83.9 | Confident | 85.9 | Confident | 50 Ų | 50 | 71 Ų | 71 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 176.3 | -62.7 | 173.6 | 0 | 0 | 0 | 112.6 | E98 L99 R100 S104 Y122 | E98-L102 WeakPolarHBondContact O-CG 3.39Å; E98-L102 PolarHBondContact O-N 3.16Å; E98-L102 VanDerWaalsContact O-N 3.13Å; L99-L102 PolarHBondContact O-N 3.25Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 2.86Å; L102-S104 VanDerWaalsContact C-N 3.29Å; L102-S104 PolarHBondContact O-N 3.39Å; L102-Y122 CarbonylContact C-O 3.42Å |
| 103 | T | 82.3 | Confident | 85.6 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.9 | 177.7 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | L99 R100 S101 Y122 R124 V211 V270 | L99-T103 WeakPolarHBondContact O-CG2 3.41Å; L99-T103 PolarHBondContact O-N 3.22Å; L99-T103 PolarHBondContact O-OG1 2.67Å; L99-T103 VanDerWaalsContact O-OG1 3.09Å; R100-T103 WeakPolarHBondContact CA-OG1 3.24Å; R100-T103 CarbonylContact O-C 3.58Å; R100-T103 PolarHBondContact O-N 3.22Å; R100-T103 PolarHBondContact O-OG1 2.9Å; S101-T103 VanDerWaalsContact C-N 3.32Å; S101-T103 PolarHBondContact O-N 2.89Å; T103-Y122 WeakPolarHBondContact CG2-O 3.29Å; T103-R124 WeakPolarHBondContact O-CD 3.47Å; T103-V211 HydrophobicContact CG2-CG1 4.45Å; T103-V270 HydrophobicContact CG2-CG2 4.23Å |
| 104 | S | 82.4 | Confident | 85 | Confident | 94 Ų | 94 | 74 Ų | 74 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -9.5 | 177.9 | -65 | 0 | 0 | 0 | 0 | 113.3 | R100 S101 L102 | R100-S104 WeakPolarHBondContact O-CB 3.21Å; R100-S104 PolarHBondContact O-N 2.83Å; R100-S104 PolarHBondContact O-OG 3.36Å; R100-S104 VanDerWaalsContact O-OG 3.06Å; S101-S104 PolarHBondContact O-N 2.99Å; S101-S104 VanDerWaalsContact O-N 3.09Å; L102-S104 VanDerWaalsContact C-N 3.29Å; L102-S104 PolarHBondContact O-N 3.39Å |
| 105 | V | 85.8 | Confident | 84.3 | Confident | 64 Ų | 64 | 73 Ų | 73 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -65.7 | 150.4 | 175.2 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | S101 R124 | S101-V105 WeakPolarHBondContact O-CG2 3.3Å; S101-V105 PolarHBondContact O-N 3.03Å; V105-R124 WeakPolarHBondContact O-CD 3.49Å |
| 106 | E | 88.8 | Confident | 84.2 | Confident | 165 Ų | 165 | 75.4 Ų | 75.4 | 77% | 0.771 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 138.9 | 171.7 | -70.9 | -172.5 | 171.4 | 0 | 0 | 111.9 | I108 | E106-I108 PolarHBondContact O-N 3.44Š|
| 107 | P | 91.3 | Very high | 84.1 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -63 | 134 | 178.8 | -19.3 | 31.4 | 0 | 0 | 0 | 111.7 | R124 K126 V209 | P107-R124 WeakPolarHBondContact CA-O 3.44Å; P107-R124 HydrophobicContact CB-CB 4.22Å; P107-R124 HydrophobicContact CG-CB 4.28Å; P107-K126 HydrophobicContact CB-CB 4.09Å; P107-V209 HydrophobicContact CB-CG1 4.08Å; P107-V209 HydrophobicContact CG-CG1 3.61Å; P107-V209 HydrophobicContact CG-CG2 4.3Å |
| 108 | I | 91.7 | Very high | 84 | Confident | 54 Ų | 54 | 76.7 Ų | 76.7 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 157.6 | 170.6 | 62.9 | 172.6 | 0 | 0 | 0 | 110.3 | E106 L120 R124 V125 K126 | E106-I108 PolarHBondContact O-N 3.44Å; I108-L120 HydrophobicContact CD1-CD1 4.08Å; I108-L120 HydrophobicContact CD1-CD2 3.97Å; I108-R124 PolarHBondContact N-O 3.46Å; I108-R124 VanDerWaalsContact N-O 3.11Å; I108-V125 HydrophobicContact CG1-CG1 4.01Å; I108-V125 CarbonylContact O-C 3.5Å; I108-V125 WeakPolarHBondContact O-CA 3.45Å; I108-K126 PolarHBondContact O-N 2.79Å |
| 109 | P | 92.1 | Very high | 84 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 69% | 0.688 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 145.1 | 166.9 | 26.2 | -34.3 | 0 | 0 | 0 | 110.2 | P111 | P109-P111 WeakPolarHBondContact O-CD 3.4Å |
| 110 | L | 88.4 | Confident | 84.1 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 121.1 | 176.3 | 178.2 | 71.3 | 0 | 0 | 0 | 109.7 | L117 V125 V127 L176 I180 V212 I249 I251 | L110-L117 HydrophobicContact CD1-CD1 3.82Å; L110-V125 HydrophobicContact CB-CB 4.49Å; L110-V125 HydrophobicContact CD1-CG1 4.42Å; L110-V125 HydrophobicContact CD1-CG2 4.32Å; L110-V127 HydrophobicContact CB-CG1 3.52Å; L110-V127 HydrophobicContact CD2-CG1 3.75Å; L110-V127 HydrophobicContact CG-CG1 4.25Å; L110-L176 HydrophobicContact CB-CD1 4.13Å; L110-L176 HydrophobicContact CD2-CD1 3.79Å; L110-L176 HydrophobicContact CG-CD1 4.16Å; L110-I180 HydrophobicContact CD2-CD1 4.06Å; L110-I180 HydrophobicContact CD2-CG2 4.27Å; L110-V212 HydrophobicContact CD1-CG2 4.49Å; L110-I249 HydrophobicContact CD1-CG2 3.98Å; L110-I249 HydrophobicContact CD2-CD1 4.47Å; L110-I249 HydrophobicContact CD2-CG2 4.03Å; L110-I251 HydrophobicContact CD1-CD1 4.37Å; L110-I251 HydrophobicContact CD2-CD1 4.44Å |
| 111 | P | 85.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 13% | 0.13 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 153.1 | 174.9 | 30.8 | -36.7 | 0 | 0 | 0 | 111.3 | P109 E116 L120 | P109-P111 WeakPolarHBondContact O-CD 3.4Å; P111-E116 HydrophobicContact CB-CB 4.33Å; P111-E116 VanDerWaalsContact CB-OE2 3.29Å; P111-E116 WeakPolarHBondContact CB-OE2 3.37Å; P111-E116 HydrophobicContact CG-CB 4.27Å; P111-L120 HydrophobicContact CG-CD1 3.44Å; P111-L120 VanDerWaalsContact CG-CD1 3.44Å |
| 112 | I | 73.1 | Confident | 84.6 | Confident | 122 Ų | 122 | 72.7 Ų | 72.7 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -82.7 | -27.9 | 179.3 | -60.1 | 166.6 | 0 | 0 | 0 | 111 | P114 L176 | I112-P114 WeakPolarHBondContact O-CD 3.36Å; I112-L176 HydrophobicContact CD1-CD2 3.95Å; I112-L176 HydrophobicContact CG1-CD2 3.72Å |
| 113 | D | 79.8 | Confident | 85 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | trans | -76.2 | 120.2 | -175.8 | -176.6 | 13.8 | 0 | 0 | 0 | 112.2 | L115 E116 L117 | D113-L115 PolarHBondContact O-N 2.84Å; D113-L115 PolarHBondContact OD1-N 3.22Å; D113-L115 WeakPolarHBondContact OD2-CB 3.43Å; D113-E116 HydrophobicContact CB-CB 4.27Å; D113-E116 HydrophobicContact CB-CG 4.03Å; D113-E116 PolarHBondContact O-N 3.46Å; D113-L117 PolarHBondContact O-N 2.77Å | ||
| 114 | P | 72.9 | Confident | 85.5 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 59% | 0.591 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.4 | -28.9 | 174.6 | -24.3 | 34.7 | 0 | 0 | 0 | 113.9 | I112 L117 N118 | I112-P114 WeakPolarHBondContact O-CD 3.36Å; P114-L117 PolarHBondContact O-N 3.03Å; P114-N118 PolarHBondContact O-N 2.98Å; P114-N118 PolarHBondContact O-ND2 3.28Å |
| 115 | L | 75.8 | Confident | 86 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | -180 | -137.2 | 94.4 | 0 | 0 | 0 | 111.4 | D113 L117 | D113-L115 PolarHBondContact O-N 2.84Å; D113-L115 PolarHBondContact OD1-N 3.22Å; D113-L115 WeakPolarHBondContact OD2-CB 3.43Å; L115-L117 VanDerWaalsContact C-N 3.32Å |
| 116 | E | 83.4 | Confident | 86.5 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 173.5 | -67.8 | -174 | 176.9 | 0 | 0 | 111.1 | P111 D113 N118 N119 L120 | P111-E116 HydrophobicContact CB-CB 4.33Å; P111-E116 VanDerWaalsContact CB-OE2 3.29Å; P111-E116 WeakPolarHBondContact CB-OE2 3.37Å; P111-E116 HydrophobicContact CG-CB 4.27Å; D113-E116 HydrophobicContact CB-CB 4.27Å; D113-E116 HydrophobicContact CB-CG 4.03Å; D113-E116 PolarHBondContact O-N 3.46Å; E116-N118 VanDerWaalsContact C-N 3.29Å; E116-N118 PolarHBondContact O-N 3.27Å; E116-N119 PolarHBondContact O-N 3Å; E116-L120 WeakPolarHBondContact O-CG 3.49Å; E116-L120 PolarHBondContact O-N 2.73Å |
| 117 | L | 83.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -35.7 | -178.6 | -164.7 | 72 | 0 | 0 | 0 | 113.4 | L110 D113 P114 L115 N119 L120 V212 I249 | L110-L117 HydrophobicContact CD1-CD1 3.82Å; D113-L117 PolarHBondContact O-N 2.77Å; P114-L117 PolarHBondContact O-N 3.03Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L117-N119 PolarHBondContact O-N 3.18Å; L117-L120 PolarHBondContact O-N 3.01Å; L117-V212 HydrophobicContact CD1-CG1 3.69Å; L117-V212 HydrophobicContact CD1-CG2 4.02Å; L117-V212 HydrophobicContact CG-CG1 4Å; L117-I249 HydrophobicContact CD1-CG2 4.37Å; L117-I249 HydrophobicContact CD2-CB 4.08Å; L117-I249 HydrophobicContact CD2-CD1 4.35Å; L117-I249 HydrophobicContact CD2-CG1 3.72Å; L117-I249 HydrophobicContact CD2-CG2 3.9Å |
| 118 | N | 84.1 | Confident | 87 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62 | -28.3 | 176.2 | -74.9 | -47.7 | 0 | 0 | 0 | 113 | P114 E116 L120 | P114-N118 PolarHBondContact O-N 2.98Å; P114-N118 PolarHBondContact O-ND2 3.28Å; E116-N118 VanDerWaalsContact C-N 3.29Å; E116-N118 PolarHBondContact O-N 3.27Å; N118-L120 VanDerWaalsContact C-N 3.3Å |
| 119 | N | 85.8 | Confident | 87.2 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 73% | 0.733 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.3 | 176.8 | -62.9 | -42.8 | 0 | 0 | 0 | 112.9 | E116 L117 | E116-N119 PolarHBondContact O-N 3Å; L117-N119 PolarHBondContact O-N 3.18Å |
| 120 | L | 87.1 | Confident | 87.4 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 12 | -177.2 | -65.6 | -179.3 | 0 | 0 | 0 | 113.4 | I108 P111 E116 L117 N118 Y122 R123 V212 | I108-L120 HydrophobicContact CD1-CD1 4.08Å; I108-L120 HydrophobicContact CD1-CD2 3.97Å; P111-L120 HydrophobicContact CG-CD1 3.44Å; P111-L120 VanDerWaalsContact CG-CD1 3.44Å; E116-L120 WeakPolarHBondContact O-CG 3.49Å; E116-L120 PolarHBondContact O-N 2.73Å; L117-L120 PolarHBondContact O-N 3.01Å; N118-L120 VanDerWaalsContact C-N 3.3Å; L120-Y122 PolarHBondContact O-N 3.49Å; L120-R123 HydrophobicContact CB-CB 4.12Å; L120-R123 HydrophobicContact CB-CG 4.3Å; L120-R123 HydrophobicContact CD2-CB 4.08Å; L120-R123 HydrophobicContact CD2-CG 3.81Å; L120-R123 VanDerWaalsContact O-CB 3.25Å; L120-R123 WeakPolarHBondContact O-CB 3.4Å; L120-R123 PolarHBondContact O-N 3.29Å; L120-V212 HydrophobicContact CB-CB 4.5Å; L120-V212 HydrophobicContact CB-CG1 4.41Å; L120-V212 WeakPolarHBondContact O-CB 3.27Å |
| 121 | E | 89.7 | Confident | 87.8 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 130.3 | 174.5 | -158.9 | -175.2 | -176.4 | 0 | 0 | 110.5 | R123 R213 L214 | E121-R123 PolarHBondContact O-N 3.01Å; E121-R213 IonicContact OE1-NE 3.13Å; E121-L214 HydrophobicContact CB-CD1 4.11Å; E121-L214 HydrophobicContact CB-CG 4.1Å; E121-L214 HydrophobicContact CG-CD1 4.37Å; E121-L214 HydrophobicContact CG-CG 4.04Å |
| 122 | Y | 89.4 | Confident | 88.3 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 1.4 | -173.7 | -53.9 | -82.5 | 0 | 0 | 0 | 116.4 | L99 L102 T103 L120 V211 V212 R213 T268 | L99-Y122 HydrophobicContact CD2-CD1 4.14Å; L99-Y122 HydrophobicContact CD2-CD2 3.5Å; L99-Y122 VanDerWaalsContact CD2-CD2 3.5Å; L99-Y122 HydrophobicContact CD2-CE1 4.36Å; L99-Y122 HydrophobicContact CD2-CE2 3.77Å; L99-Y122 HydrophobicContact CD2-CG 3.71Å; L102-Y122 CarbonylContact C-O 3.42Å; T103-Y122 WeakPolarHBondContact CG2-O 3.29Å; L120-Y122 PolarHBondContact O-N 3.49Å; Y122-V211 VanDerWaalsContact CA-CG1 3.45Å; Y122-V212 PolarHBondContact N-O 2.79Å; Y122-R213 PolarHBondContact OH-NH2 3.49Å; Y122-T268 HydrophobicContact CD1-CG2 4.27Å; Y122-T268 HydrophobicContact CE1-CG2 4.34Å |
| 123 | R | 91.4 | Very high | 89.3 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | trans | -80.1 | 143.5 | 172.5 | -66.7 | -65.7 | -59.7 | -86.8 | -1.6 | 111.5 | L120 E121 V211 V212 | L120-R123 HydrophobicContact CB-CB 4.12Å; L120-R123 HydrophobicContact CB-CG 4.3Å; L120-R123 HydrophobicContact CD2-CB 4.08Å; L120-R123 HydrophobicContact CD2-CG 3.81Å; L120-R123 VanDerWaalsContact O-CB 3.25Å; L120-R123 WeakPolarHBondContact O-CB 3.4Å; L120-R123 PolarHBondContact O-N 3.29Å; E121-R123 PolarHBondContact O-N 3.01Å; R123-V211 WeakPolarHBondContact O-CA 3.46Å; R123-V212 PolarHBondContact O-N 3.25Å | ||
| 124 | R | 93 | Very high | 90 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.5 | 173.3 | -72.6 | 174.4 | 62.9 | 116.9 | 10.5 | 110.4 | T103 V105 P107 I108 G210 V211 D254 | T103-R124 WeakPolarHBondContact O-CD 3.47Å; V105-R124 WeakPolarHBondContact O-CD 3.49Å; P107-R124 WeakPolarHBondContact CA-O 3.44Å; P107-R124 HydrophobicContact CB-CB 4.22Å; P107-R124 HydrophobicContact CG-CB 4.28Å; I108-R124 PolarHBondContact N-O 3.46Å; I108-R124 VanDerWaalsContact N-O 3.11Å; R124-G210 CarbonylContact C-O 3.56Å; R124-G210 WeakPolarHBondContact CA-O 3.34Å; R124-V211 HydrophobicContact CG-CG2 4.21Å; R124-D254 IonicContact CZ-OD2 3.62Å; R124-D254 IonicContact NH1-OD2 2.8Å; R124-D254 PolarHBondContact NH1-OD2 2.9Å; R124-D254 IonicContact NH2-OD2 3.72Å; R124-D254 PolarHBondContact NH2-OD2 3.11Å |
| 125 | V | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.4 | 174.9 | -63 | 0 | 0 | 0 | 0 | 110.7 | I108 L110 V209 G210 V212 I251 | I108-V125 HydrophobicContact CG1-CG1 4.01Å; I108-V125 CarbonylContact O-C 3.5Å; I108-V125 WeakPolarHBondContact O-CA 3.45Å; L110-V125 HydrophobicContact CB-CB 4.49Å; L110-V125 HydrophobicContact CD1-CG1 4.42Å; L110-V125 HydrophobicContact CD1-CG2 4.32Å; V125-V209 WeakPolarHBondContact O-CA 3.37Å; V125-G210 PolarHBondContact N-O 2.92Å; V125-G210 PolarHBondContact O-N 3.07Å; V125-V212 HydrophobicContact CB-CG2 4.3Å; V125-V212 HydrophobicContact CG1-CG2 3.58Å; V125-V212 HydrophobicContact CG2-CG2 3.69Å; V125-I251 HydrophobicContact CG2-CD1 3.54Å; V125-I251 HydrophobicContact CG2-CG1 4.02Å; V125-I251 HydrophobicContact CG2-CG2 4.29Å |
| 126 | K | 95.2 | Very high | 92 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.4 | 173.4 | -173 | 178.2 | -179.3 | -176 | 0 | 109.8 | P107 I108 D207 L208 V209 | P107-K126 HydrophobicContact CB-CB 4.09Å; I108-K126 PolarHBondContact O-N 2.79Å; K126-D207 WeakPolarHBondContact CE-OD2 3.19Å; K126-D207 IonicContact NZ-OD2 3.78Å; K126-D207 PolarHBondContact NZ-OD2 2.81Å; K126-L208 WeakPolarHBondContact CA-O 3.44Å; K126-V209 HydrophobicContact CB-CG2 4.33Å; K126-V209 HydrophobicContact CD-CG2 4.48Å; K126-V209 HydrophobicContact CG-CG2 4.1Å |
| 127 | V | 95.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.9 | 173.5 | -64.1 | 0 | 0 | 0 | 0 | 110 | L110 F171 I180 L208 I251 | L110-V127 HydrophobicContact CB-CG1 3.52Å; L110-V127 HydrophobicContact CD2-CG1 3.75Å; L110-V127 HydrophobicContact CG-CG1 4.25Å; V127-F171 HydrophobicContact CB-CE1 4.26Å; V127-F171 HydrophobicContact CG2-CD1 4.13Å; V127-F171 HydrophobicContact CG2-CE1 3.64Å; V127-F171 HydrophobicContact CG2-CZ 4.43Å; V127-I180 HydrophobicContact CG1-CD1 4.48Å; V127-I180 HydrophobicContact CG2-CD1 4.35Å; V127-L208 HydrophobicContact CG2-CB 3.93Å; V127-L208 HydrophobicContact CG2-CD2 3.9Å; V127-L208 HydrophobicContact CG2-CG 4.17Å; V127-L208 PolarHBondContact N-O 3.24Å; V127-L208 PolarHBondContact O-N 2.94Å; V127-I251 HydrophobicContact CG1-CD1 4.34Å; V127-I251 HydrophobicContact CG2-CD1 4.41Å |
| 128 | R | 96.1 | Very high | 93.3 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 39% | 0.389 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.9 | 172.4 | -179.6 | 179 | -67.5 | 177.4 | -1.6 | 110.3 | C173 S174 D175 E205 V206 D207 | R128-C173 CarbonylContact O-C 3.51Å; R128-C173 WeakPolarHBondContact O-CA 3.12Å; R128-S174 PolarHBondContact O-N 2.97Å; R128-D175 WeakPolarHBondContact CB-OD2 3.05Å; R128-E205 HydrophobicContact CG-CG 3.76Å; R128-E205 WeakPolarHBondContact CG-OE1 3.36Å; R128-V206 WeakPolarHBondContact CA-O 3.49Å; R128-D207 IonicContact CZ-OD1 3.17Å; R128-D207 IonicContact NE-OD1 3.02Å; R128-D207 PolarHBondContact NE-OD1 2.78Å; R128-D207 IonicContact NH2-OD1 2.7Å; R128-D207 PolarHBondContact NH2-OD1 3.35Å; R128-D207 IonicContact NH2-OD2 2.81Å; R128-D207 PolarHBondContact NH2-OD2 3.12Å |
| 129 | G | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.6 | -167 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F171 Y172 E205 V206 | G129-F171 VanDerWaalsContact N-CZ 3.29Å; G129-F171 WeakPolarHBondContact O-CE2 3.28Å; G129-F171 WeakPolarHBondContact O-CZ 3.33Å; G129-Y172 WeakPolarHBondContact CA-O 3.37Å; G129-E205 CarbonylContact O-C 3.58Å; G129-E205 WeakPolarHBondContact O-CA 3.49Å; G129-V206 PolarHBondContact N-O 3.42Å; G129-V206 PolarHBondContact O-N 3.18Å |
| 130 | H | 96.4 | Very high | 94.3 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 35% | 0.347 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.8 | 179.5 | 58.8 | -90.5 | 0 | 0 | 0 | 111.4 | F171 Y172 | H130-F171 WeakPolarHBondContact O-CA 3.5Å; H130-F171 WeakPolarHBondContact O-CD2 3.43Å; H130-Y172 AromaticContact CE1-CD1 3.36Å; H130-Y172 WeakPolarHBondContact CE1-CD1 3.4Å; H130-Y172 AromaticContact CE1-CG 3.88Å; H130-Y172 PolarHBondContact N-O 3.17Å; H130-Y172 AromaticContact ND1-CD1 3.98Å; H130-Y172 PolarHBondContact O-N 2.91Å |
| 131 | Y | 96.5 | Very high | 94.5 | Very high | 11 Ų | 11 | 44 Ų | 44 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.5 | 179.8 | -68.9 | -75.2 | 0 | 0 | 0 | 111.5 | H133 T169 F171 V182 R184 V202 V206 I259 | Y131-H133 VanDerWaalsContact CB-CE1 3.44Å; Y131-H133 WeakPolarHBondContact CB-CE1 3.26Å; Y131-H133 AromaticContact CG-CE1 3.95Å; Y131-H133 PolarHBondContact O-N 3.31Å; Y131-T169 HydrophobicContact CD1-CG2 3.93Å; Y131-T169 HydrophobicContact CG-CG2 4.37Å; Y131-F171 HydrophobicContact CD1-CB 4.33Å; Y131-F171 AromaticContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CE2 4.42Å; Y131-F171 HydrophobicContact CD1-CG 4.44Å; Y131-F171 HydrophobicContact CD2-CD2 4.28Å; Y131-F171 HydrophobicContact CD2-CE2 4.38Å; Y131-F171 HydrophobicContact CE1-CB 4.47Å; Y131-F171 AromaticContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CE2 4.24Å; Y131-F171 HydrophobicContact CE1-CG 4.4Å; Y131-F171 HydrophobicContact CE2-CD2 4.29Å; Y131-F171 HydrophobicContact CE2-CE2 4.21Å; Y131-F171 AromaticContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CE2 4.48Å; Y131-F171 AromaticContact CZ-CD2 3.95Å; Y131-V182 HydrophobicContact CE1-CB 4.13Å; Y131-V182 HydrophobicContact CE1-CG1 4Å; Y131-R184 HydrophobicContact CD1-CG 4.28Å; Y131-R184 HydrophobicContact CE1-CG 3.67Å; Y131-V202 HydrophobicContact CD2-CG2 4.31Å; Y131-V206 HydrophobicContact CD2-CG2 4.29Å; Y131-V206 HydrophobicContact CE2-CG2 3.71Å; Y131-I259 HydrophobicContact CE2-CD1 4.01Å |
| 132 | D | 96.1 | Very high | 94.5 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | trans | -91.5 | 90.8 | 163.8 | -179.2 | 2.4 | 0 | 0 | 0 | 109.8 | S134 Q135 T169 P170 | D132-S134 PolarHBondContact O-N 2.84Å; D132-S134 WeakPolarHBondContact OD1-CB 3.32Å; D132-S134 PolarHBondContact OD1-N 3.47Å; D132-S134 PolarHBondContact OD1-OG 2.93Å; D132-Q135 PolarHBondContact O-N 2.71Å; D132-Q135 PolarHBondContact OD2-NE2 2.93Å; D132-T169 WeakPolarHBondContact O-CG2 3.26Å; D132-P170 HydrophobicContact CB-CB 4.27Å; D132-P170 PolarHBondContact N-O 2.84Å | ||
| 133 | H | 94.9 | Very high | 94.5 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -68 | -10.9 | 179.8 | -68.1 | -53.4 | 0 | 0 | 0 | 114.3 | Y131 Q135 E136 R184 Q201 V202 D203 | Y131-H133 VanDerWaalsContact CB-CE1 3.44Å; Y131-H133 WeakPolarHBondContact CB-CE1 3.26Å; Y131-H133 AromaticContact CG-CE1 3.95Å; Y131-H133 PolarHBondContact O-N 3.31Å; H133-Q135 VanDerWaalsContact C-N 3.31Å; H133-E136 IonicContact CE1-OE1 3.16Å; H133-E136 IonicContact CG-OE1 2.73Å; H133-E136 IonicContact ND1-OE1 3.06Å; H133-E136 PolarHBondContact ND1-OE1 3.31Å; H133-R184 PolarHBondContact CE1-NH1 2.88Å; H133-R184 PolarHBondContact ND1-NH1 2.88Å; H133-Q201 PolarHBondContact CE1-OE1 3.05Å; H133-Q201 PolarHBondContact ND1-OE1 3Å; H133-V202 PolarHBondContact NE2-N 3.18Å; H133-V202 PolarHBondContact NE2-O 2.83Å; H133-D203 IonicContact CD2-OD1 3.2Å |
| 134 | S | 93.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 73% | 0.727 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -75.4 | -23.3 | 178.6 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | D132 | D132-S134 PolarHBondContact O-N 2.84Å; D132-S134 WeakPolarHBondContact OD1-CB 3.32Å; D132-S134 PolarHBondContact OD1-N 3.47Å; D132-S134 PolarHBondContact OD1-OG 2.93Å |
| 135 | Q | 94.7 | Very high | 93.8 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -114.6 | 31.8 | -173.8 | -63 | -167.8 | 87.4 | 0 | 0 | 113.1 | D132 H133 M137 P170 T244 | D132-Q135 PolarHBondContact O-N 2.71Å; D132-Q135 PolarHBondContact OD2-NE2 2.93Å; H133-Q135 VanDerWaalsContact C-N 3.31Å; Q135-M137 PolarHBondContact O-N 2.86Å; Q135-P170 HydrophobicContact CB-CG 3.83Å; Q135-P170 VanDerWaalsContact O-CD 3.28Å; Q135-P170 WeakPolarHBondContact O-CD 3.16Å; Q135-T244 HydrophobicContact CB-CG2 4.34Å |
| 136 | E | 95.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | trans | -64.1 | 136.2 | 177.4 | -67.8 | -171.8 | 162.3 | 0 | 0 | 112.1 | H133 Y138 V167 V168 T169 R184 R197 Q201 N230 | H133-E136 IonicContact CE1-OE1 3.16Å; H133-E136 IonicContact CG-OE1 2.73Å; H133-E136 IonicContact ND1-OE1 3.06Å; H133-E136 PolarHBondContact ND1-OE1 3.31Å; E136-Y138 PolarHBondContact OE2-OH 3.35Å; E136-V167 HydrophobicContact CB-CG1 4.32Å; E136-V167 HydrophobicContact CG-CG1 4.33Å; E136-V168 CarbonylContact C-O 3.53Å; E136-V168 WeakPolarHBondContact CA-O 3.34Å; E136-T169 HydrophobicContact CG-CG2 3.84Å; E136-T169 WeakPolarHBondContact CG-OG1 3.39Å; E136-R184 IonicContact OE1-NH1 2.83Å; E136-R184 PolarHBondContact OE1-NH1 3.45Å; E136-R184 VanDerWaalsContact OE1-NH1 3.17Å; E136-R197 IonicContact OE1-NH1 3.37Å; E136-R197 PolarHBondContact OE1-NH1 2.86Å; E136-R197 VanDerWaalsContact OE1-NH1 3.08Å; E136-R197 IonicContact OE2-CZ 2.73Å; E136-R197 IonicContact OE2-NH1 3.52Å; E136-R197 PolarHBondContact OE2-NH1 3.18Å; E136-R197 IonicContact OE2-NH2 3.58Å; E136-R197 PolarHBondContact OE2-NH2 2.78Å; E136-Q201 PolarHBondContact OE1-NE2 3.4Å; E136-Q201 PolarHBondContact OE1-OE1 3.18Å; E136-Q201 PolarHBondContact OE2-NE2 3.48Å; E136-N230 PolarHBondContact O-ND2 3Å | ||
| 137 | M | 97.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.02 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.8 | 177.8 | -67.7 | 175.3 | -74.7 | 0 | 0 | 111.3 | Q135 V168 L181 N230 W232 M240 T244 | Q135-M137 PolarHBondContact O-N 2.86Å; M137-V168 HydrophobicContact CB-CB 4.22Å; M137-V168 HydrophobicContact CE-CG1 4Å; M137-V168 PolarHBondContact N-O 3.19Å; M137-V168 PolarHBondContact O-N 2.92Å; M137-L181 HydrophobicContact CE-CD2 3.55Å; M137-N230 VanDerWaalsContact CA-OD1 3.3Å; M137-N230 WeakPolarHBondContact CA-OD1 3.36Å; M137-W232 HydrophobicContact CG-CZ2 4.32Å; M137-W232 HydrophobicContact SD-CH2 4.32Å; M137-W232 HydrophobicContact SD-CZ2 3.61Å; M137-M240 HydrophobicContact CE-CB 4.02Å; M137-M240 HydrophobicContact CE-CG 4.2Å; M137-M240 HydrophobicContact SD-CB 3.98Å; M137-M240 HydrophobicContact SD-CG 3.79Å; M137-T244 HydrophobicContact CE-CG2 3.55Å; M137-T244 HydrophobicContact SD-CG2 4.01Å |
| 138 | Y | 97.1 | Very high | 90.6 | Very high | 30 Ų | 30 | 52 Ų | 52 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 114.8 | -174.5 | -53.7 | -71.2 | 0 | 0 | 0 | 111.9 | E136 L140 V167 I192 P194 R197 W232 | E136-Y138 PolarHBondContact OE2-OH 3.35Å; Y138-L140 WeakPolarHBondContact O-CD2 3.07Å; Y138-V167 HydrophobicContact CD1-CG2 4.2Å; Y138-V167 HydrophobicContact CE1-CG1 4.23Å; Y138-V167 HydrophobicContact CE1-CG2 4.18Å; Y138-I192 HydrophobicContact CD1-CG2 3.69Å; Y138-I192 HydrophobicContact CD2-CG2 4.39Å; Y138-I192 HydrophobicContact CE1-CG2 3.84Å; Y138-I192 WeakPolarHBondContact CE1-O 3.42Å; Y138-I192 HydrophobicContact CG-CG2 3.97Å; Y138-P194 WeakPolarHBondContact OH-CD 3.35Å; Y138-P194 WeakPolarHBondContact OH-CG 3.47Å; Y138-R197 PolarHBondContact OH-NH2 2.87Å; Y138-W232 WeakPolarHBondContact O-CB 3.24Å; Y138-W232 PolarHBondContact O-N 2.91Å |
| 139 | I | 96.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.8 | 171.2 | -52.6 | 176 | 0 | 0 | 0 | 109.1 | R142 A165 N166 V168 W232 R235 M240 | I139-R142 HydrophobicContact CG2-CG 4.4Å; I139-R142 VanDerWaalsContact O-CG 3.29Å; I139-R142 WeakPolarHBondContact O-CG 3.43Å; I139-A165 CarbonylContact O-C 3.48Å; I139-A165 VanDerWaalsContact O-CA 3.25Å; I139-A165 WeakPolarHBondContact O-CA 3.32Å; I139-N166 HydrophobicContact CB-CB 4.33Å; I139-N166 PolarHBondContact N-O 3.36Å; I139-N166 PolarHBondContact O-N 3.21Å; I139-V168 HydrophobicContact CD1-CG2 3.69Å; I139-V168 HydrophobicContact CG1-CG2 4.03Å; I139-W232 CarbonylContact C-O 3.53Å; I139-W232 VanDerWaalsContact CA-O 3.26Å; I139-W232 WeakPolarHBondContact CA-O 3.29Å; I139-W232 HydrophobicContact CB-CB 4.45Å; I139-W232 HydrophobicContact CG1-CB 3.95Å; I139-R235 HydrophobicContact CD1-CB 4.42Å; I139-M240 HydrophobicContact CD1-CE 4.03Å; I139-M240 HydrophobicContact CG1-CE 4.09Å |
| 140 | L | 94.2 | Very high | 88.4 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.1 | -176.5 | 61.1 | 124.1 | 0 | 0 | 0 | 113.6 | Y138 A165 W232 H233 | Y138-L140 WeakPolarHBondContact O-CD2 3.07Å; L140-A165 HydrophobicContact CB-CB 4.08Å; L140-A165 HydrophobicContact CD2-CB 4.44Å; L140-W232 PolarHBondContact N-O 3.47Å; L140-H233 PolarHBondContact O-ND1 3.3Å |
| 141 | P | 92.1 | Very high | 86.9 | Confident | 93 Ų | 93 | 50.7 Ų | 50.7 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -76.4 | 141 | -4.8 | 31.4 | -33.8 | 0 | 0 | 0 | 112.2 | T163 | P141-T163 WeakPolarHBondContact CB-OG1 3.33Å |
| 142 | R | 90.5 | Very high | 85.6 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 28% | 0.275 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 153.9 | 169.5 | -66.4 | -63.4 | -168.3 | -171.9 | 4.5 | 110.1 | I139 T163 G164 N166 E216 | I139-R142 HydrophobicContact CG2-CG 4.4Å; I139-R142 VanDerWaalsContact O-CG 3.29Å; I139-R142 WeakPolarHBondContact O-CG 3.43Å; R142-T163 CarbonylContact O-C 3.43Å; R142-T163 WeakPolarHBondContact O-CA 3.41Å; R142-G164 PolarHBondContact N-O 2.98Å; R142-G164 CarbonylContact O-C 3.41Å; R142-G164 PolarHBondContact O-N 3.1Å; R142-N166 HydrophobicContact CG-CB 4.27Å; R142-E216 IonicContact NH2-OE1 2.63Å; R142-E216 IonicContact NH2-OE2 2.9Å |
| 143 | S | 87.9 | Confident | 84.3 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 42% | 0.42 | 32% | 0.319 | S | S | . | . | trans | -115.3 | 148 | 171.3 | -68.6 | 0 | 0 | 0 | 0 | 108.1 | V145 D162 | S143-V145 PolarHBondContact O-N 2.84Å; S143-D162 WeakPolarHBondContact CA-O 3.39Å; S143-D162 WeakPolarHBondContact CB-O 3.36Å; S143-D162 PolarHBondContact OG-O 2.72Å | ||
| 144 | P | 87.1 | Confident | 82.7 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | trans | -62.8 | 132 | -179.3 | 24.9 | -29.8 | 0 | 0 | 0 | 109.6 | D146 D162 Y186 | P144-D146 PolarHBondContact O-N 3.02Å; P144-D162 WeakPolarHBondContact CD-O 3.4Å; P144-D162 HydrophobicContact CG-CB 4.21Å; P144-Y186 HydrophobicContact CB-CD1 3.72Å; P144-Y186 HydrophobicContact CB-CD2 4.38Å; P144-Y186 HydrophobicContact CB-CE1 3.74Å; P144-Y186 HydrophobicContact CB-CE2 4.41Å; P144-Y186 HydrophobicContact CB-CG 4.04Å; P144-Y186 HydrophobicContact CG-CD1 4.45Å; P144-Y186 HydrophobicContact CG-CE1 3.98Å | ||
| 145 | V | 82.6 | Confident | 80.9 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | trans | -81.3 | 113.4 | 168.2 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | S143 R269 | S143-V145 PolarHBondContact O-N 2.84Å; V145-R269 HydrophobicContact CG2-CB 4.25Å | ||
| 146 | D | 79.3 | Confident | 79.4 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | trans | -127.8 | 110 | 172.7 | 173.3 | -16.2 | 0 | 0 | 0 | 107.3 | P144 E148 K149 E150 | P144-D146 PolarHBondContact O-N 3.02Å; D146-E148 PolarHBondContact O-N 2.92Å; D146-E148 PolarHBondContact OD1-N 3.47Å; D146-K149 HydrophobicContact CB-CB 3.72Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 PolarHBondContact OD1-N 3.46Å; D146-K149 VanDerWaalsContact OD1-N 3.12Å; D146-E150 WeakPolarHBondContact O-CB 3.39Å; D146-E150 VanDerWaalsContact O-CG 3.26Å; D146-E150 WeakPolarHBondContact O-CG 3.25Å; D146-E150 PolarHBondContact O-N 3.06Å | ||
| 147 | P | 68.5 | Low | 77.4 | Confident | 89 Ų | 89 | 67 Ų | 67 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56.3 | -35.9 | -177.7 | -26.1 | 34.3 | 0 | 0 | 0 | 114.1 | A151 | P147-A151 WeakPolarHBondContact O-CB 3.43Å; P147-A151 PolarHBondContact O-N 3.03Å; P147-A151 VanDerWaalsContact O-N 3.1Å |
| 148 | E | 69.3 | Low | 75.3 | Confident | 129 Ų | 129 | 71 Ų | 71 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -73.1 | -45.4 | 179.5 | -66.5 | -169 | -175.9 | 0 | 0 | 110.8 | D146 A151 R152 | D146-E148 PolarHBondContact O-N 2.92Å; D146-E148 PolarHBondContact OD1-N 3.47Å; E148-A151 PolarHBondContact O-N 2.99Å; E148-R152 WeakPolarHBondContact O-CG 3.43Å; E148-R152 PolarHBondContact O-N 3.11Å; E148-R152 VanDerWaalsContact O-N 3.07Å; E148-R152 IonicContact OE2-NH2 3.34Å |
| 149 | K | 73.2 | Confident | 73.3 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.9 | -168.4 | -179.2 | -174.7 | -174.5 | 0 | 111.2 | D146 A151 R152 E153 S160 D162 | D146-K149 HydrophobicContact CB-CB 3.72Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 PolarHBondContact OD1-N 3.46Å; D146-K149 VanDerWaalsContact OD1-N 3.12Å; K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 3.37Å; K149-R152 PolarHBondContact O-N 2.83Å; K149-E153 WeakPolarHBondContact CE-OE1 3.41Å; K149-E153 HydrophobicContact CG-CG 4.32Å; K149-E153 WeakPolarHBondContact CG-OE1 3.49Å; K149-E153 WeakPolarHBondContact O-CB 3.11Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 2.91Å; K149-S160 VanDerWaalsContact CE-CB 3.49Å; K149-S160 VanDerWaalsContact CE-OG 3.23Å; K149-S160 WeakPolarHBondContact CE-OG 3.15Å; K149-S160 PolarHBondContact NZ-OG 3.27Å; K149-S160 VanDerWaalsContact NZ-OG 3.08Å; K149-D162 IonicContact NZ-OD2 3.87Å; K149-D162 PolarHBondContact NZ-OD2 3.06Å |
| 150 | E | 72.4 | Confident | 71.5 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 15% | 0.15 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 177.9 | -74.3 | -168.9 | 144.9 | 0 | 0 | 112.9 | D146 A154 R269 T271 | D146-E150 WeakPolarHBondContact O-CB 3.39Å; D146-E150 VanDerWaalsContact O-CG 3.26Å; D146-E150 WeakPolarHBondContact O-CG 3.25Å; D146-E150 PolarHBondContact O-N 3.06Å; E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.01Å; E150-R269 IonicContact OE1-CZ 3.94Å; E150-R269 IonicContact OE1-NE 3.65Å; E150-R269 PolarHBondContact OE1-NE 3.47Å; E150-R269 IonicContact OE1-NH2 3.7Å; E150-R269 PolarHBondContact OE1-NH2 3.14Å; E150-R269 IonicContact OE2-NE 3.98Å; E150-T271 PolarHBondContact OE2-OG1 3.48Å |
| 151 | A | 66.6 | Low | 69.9 | Low | 72 Ų | 72 | 78.1 Ų | 78.1 | 60% | 0.595 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.3 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P147 E148 K149 A154 | P147-A151 WeakPolarHBondContact O-CB 3.43Å; P147-A151 PolarHBondContact O-N 3.03Å; P147-A151 VanDerWaalsContact O-N 3.1Å; E148-A151 PolarHBondContact O-N 2.99Å; K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 3.37Å; A151-A154 WeakPolarHBondContact O-CB 3.48Å |
| 152 | R | 69.1 | Low | 69.1 | Low | 187 Ų | 187 | 77.6 Ų | 77.6 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.8 | -37.9 | 177.3 | -69.7 | 175.6 | -174.3 | 176.1 | 7.9 | 113.1 | E148 K149 A154 Q156 | E148-R152 WeakPolarHBondContact O-CG 3.43Å; E148-R152 PolarHBondContact O-N 3.11Å; E148-R152 VanDerWaalsContact O-N 3.07Å; E148-R152 IonicContact OE2-NH2 3.34Å; K149-R152 PolarHBondContact O-N 2.83Å; R152-A154 VanDerWaalsContact C-N 3.34Å; R152-Q156 PolarHBondContact O-NE2 3.15Å |
| 153 | E | 68.2 | Low | 69 | Low | 59 Ų | 59 | 76.8 Ų | 76.8 | 28% | 0.276 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -88.1 | -2.3 | -179.2 | -66.6 | -179.2 | -173.8 | 0 | 0 | 112.5 | K149 G155 Q156 S160 | K149-E153 WeakPolarHBondContact CE-OE1 3.41Å; K149-E153 HydrophobicContact CG-CG 4.32Å; K149-E153 WeakPolarHBondContact CG-OE1 3.49Å; K149-E153 WeakPolarHBondContact O-CB 3.11Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 2.91Å; E153-G155 PolarHBondContact O-N 3.15Å; E153-Q156 PolarHBondContact O-N 3.26Å; E153-S160 PolarHBondContact OE2-OG 3.47Å; E153-S160 VanDerWaalsContact OE2-OG 3.06Å |
| 154 | A | 60.7 | Low | 69.3 | Low | 54 Ų | 54 | 74.1 Ų | 74.1 | 45% | 0.446 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 114.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | E150 A151 R152 | E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.01Å; A151-A154 WeakPolarHBondContact O-CB 3.48Å; R152-A154 VanDerWaalsContact C-N 3.34Å |
| 155 | G | 57.2 | Low | 69.7 | Low | 31 Ų | 31 | 72.5 Ų | 72.5 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | -14.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E153 R273 E275 | E153-G155 PolarHBondContact O-N 3.15Å; G155-R273 PolarHBondContact O-NH2 2.98Å; G155-E275 WeakPolarHBondContact CA-OE1 3.26Å; G155-E275 PolarHBondContact N-OE1 3.37Å |
| 156 | Q | 62.3 | Low | 70.3 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | trans | -77 | 144.8 | 175.4 | -60 | -175.9 | 30.3 | 0 | 0 | 110.8 | R152 E153 S158 R273 | R152-Q156 PolarHBondContact O-NE2 3.15Å; E153-Q156 PolarHBondContact O-N 3.26Å; Q156-S158 VanDerWaalsContact C-N 3.34Å; Q156-R273 PolarHBondContact O-NH1 3.1Å | ||
| 157 | L | 53.2 | Low | 71.2 | Confident | 176 Ų | 176 | 68.4 Ų | 68.4 | 92% | 0.921 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -82.1 | -17.2 | 175.3 | -82.6 | 159.4 | 0 | 0 | 0 | 112.1 | ||
| 158 | S | 54 | Low | 72.6 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | trans | -87.1 | 110.4 | -179.9 | -43.6 | 0 | 0 | 0 | 0 | 109.3 | Q156 S160 | Q156-S158 VanDerWaalsContact C-N 3.34Å; S158-S160 PolarHBondContact O-N 3.12Å | ||
| 159 | S | 55.8 | Low | 73.9 | Confident | 102 Ų | 102 | 58 Ų | 58 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | trans | -70 | 129.7 | 161.9 | 64.6 | 0 | 0 | 0 | 0 | 107.6 | G161 | S159-G161 PolarHBondContact O-N 2.78Š| ||
| 160 | S | 57.4 | Low | 75.1 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | trans | -47 | 132.2 | 166.7 | 37.1 | 0 | 0 | 0 | 0 | 110 | K149 E153 S158 D162 | K149-S160 VanDerWaalsContact CE-CB 3.49Å; K149-S160 VanDerWaalsContact CE-OG 3.23Å; K149-S160 WeakPolarHBondContact CE-OG 3.15Å; K149-S160 PolarHBondContact NZ-OG 3.27Å; K149-S160 VanDerWaalsContact NZ-OG 3.08Å; E153-S160 PolarHBondContact OE2-OG 3.47Å; E153-S160 VanDerWaalsContact OE2-OG 3.06Å; S158-S160 PolarHBondContact O-N 3.12Å; S160-D162 PolarHBondContact O-N 2.95Å | ||
| 161 | G | 61 | Low | 76.2 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 78% | 0.784 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -68.9 | 8.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S159 T163 | S159-G161 PolarHBondContact O-N 2.78Å; G161-T163 PolarHBondContact O-N 3.28Å |
| 162 | D | 75.1 | Confident | 77.7 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | trans | -76.9 | 95.5 | -178.5 | -59.5 | -42.8 | 0 | 0 | 0 | 109 | S143 P144 K149 S160 | S143-D162 WeakPolarHBondContact CA-O 3.39Å; S143-D162 WeakPolarHBondContact CB-O 3.36Å; S143-D162 PolarHBondContact OG-O 2.72Å; P144-D162 WeakPolarHBondContact CD-O 3.4Å; P144-D162 HydrophobicContact CG-CB 4.21Å; K149-D162 IonicContact NZ-OD2 3.87Å; K149-D162 PolarHBondContact NZ-OD2 3.06Å; S160-D162 PolarHBondContact O-N 2.95Å | ||
| 163 | T | 88.2 | Confident | 78.9 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | trans | -105.3 | 141 | 172 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | P141 R142 G161 R189 | P141-T163 WeakPolarHBondContact CB-OG1 3.33Å; R142-T163 CarbonylContact O-C 3.43Å; R142-T163 WeakPolarHBondContact O-CA 3.41Å; G161-T163 PolarHBondContact O-N 3.28Å; T163-R189 WeakPolarHBondContact O-CB 3.02Å; T163-R189 PolarHBondContact O-N 2.88Å | ||
| 164 | G | 93.7 | Very high | 80.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | -151.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | R142 V187 | R142-G164 PolarHBondContact N-O 2.98Å; R142-G164 CarbonylContact O-C 3.41Å; R142-G164 PolarHBondContact O-N 3.1Å; G164-V187 CarbonylContact C-O 3.56Å; G164-V187 WeakPolarHBondContact CA-O 3.4Å |
| 165 | A | 95.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 153 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I139 L140 Y186 V187 I192 | I139-A165 CarbonylContact O-C 3.48Å; I139-A165 VanDerWaalsContact O-CA 3.25Å; I139-A165 WeakPolarHBondContact O-CA 3.32Å; L140-A165 HydrophobicContact CB-CB 4.08Å; L140-A165 HydrophobicContact CD2-CB 4.44Å; A165-Y186 CarbonylContact O-C 3.43Å; A165-Y186 WeakPolarHBondContact O-CA 3.28Å; A165-V187 HydrophobicContact CB-CG2 4.32Å; A165-V187 PolarHBondContact N-O 3.03Å; A165-V187 PolarHBondContact O-N 3.09Å; A165-I192 HydrophobicContact CB-CD1 3.95Å; A165-I192 HydrophobicContact CB-CG1 3.97Å |
| 166 | N | 96.5 | Very high | 83 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.8 | 158.9 | -73.2 | 6.5 | 0 | 0 | 0 | 108.3 | I139 R142 N183 G185 | I139-N166 HydrophobicContact CB-CB 4.33Å; I139-N166 PolarHBondContact N-O 3.36Å; I139-N166 PolarHBondContact O-N 3.21Å; R142-N166 HydrophobicContact CG-CB 4.27Å; N166-N183 WeakPolarHBondContact CB-OD1 3.02Å; N166-N183 PolarHBondContact ND2-ND2 3.32Å; N166-G185 CarbonylContact C-O 3.58Å; N166-G185 VanDerWaalsContact CA-O 3.29Å; N166-G185 WeakPolarHBondContact CA-O 3.23Å |
| 167 | V | 97.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 113.5 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | E136 Y138 N183 R184 G185 V187 P263 | E136-V167 HydrophobicContact CB-CG1 4.32Å; E136-V167 HydrophobicContact CG-CG1 4.33Å; Y138-V167 HydrophobicContact CD1-CG2 4.2Å; Y138-V167 HydrophobicContact CE1-CG1 4.23Å; Y138-V167 HydrophobicContact CE1-CG2 4.18Å; V167-N183 PolarHBondContact O-OD1 2.86Å; V167-R184 PolarHBondContact O-N 3.42Å; V167-G185 PolarHBondContact N-O 2.73Å; V167-V187 HydrophobicContact CG2-CB 4.38Å; V167-V187 HydrophobicContact CG2-CG1 3.88Å; V167-V187 HydrophobicContact CG2-CG2 3.57Å; V167-P263 HydrophobicContact CB-CB 4.34Å; V167-P263 HydrophobicContact CB-CG 3.88Å; V167-P263 HydrophobicContact CG1-CG 4.38Å; V167-P263 HydrophobicContact CG2-CB 4.34Å; V167-P263 HydrophobicContact CG2-CG 3.88Å |
| 168 | V | 97.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.6 | 172.5 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | E136 M137 I139 L181 V182 N183 F250 | E136-V168 CarbonylContact C-O 3.53Å; E136-V168 WeakPolarHBondContact CA-O 3.34Å; M137-V168 HydrophobicContact CB-CB 4.22Å; M137-V168 HydrophobicContact CE-CG1 4Å; M137-V168 PolarHBondContact N-O 3.19Å; M137-V168 PolarHBondContact O-N 2.92Å; I139-V168 HydrophobicContact CD1-CG2 3.69Å; I139-V168 HydrophobicContact CG1-CG2 4.03Å; V168-L181 HydrophobicContact CG1-CB 4.21Å; V168-L181 HydrophobicContact CG1-CD2 4.46Å; V168-V182 CarbonylContact C-O 3.58Å; V168-V182 VanDerWaalsContact CA-O 3.3Å; V168-V182 WeakPolarHBondContact CA-O 3.21Å; V168-N183 HydrophobicContact CG2-CB 4.16Å; V168-F250 HydrophobicContact CG1-CD2 4.41Å; V168-F250 HydrophobicContact CG1-CE2 3.87Å; V168-F250 HydrophobicContact CG2-CE2 3.92Å; V168-F250 HydrophobicContact CG2-CZ 4.4Å |
| 169 | T | 97.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.7 | -177.6 | -51.6 | 0 | 0 | 0 | 0 | 108.4 | Y131 D132 E136 V182 R184 | Y131-T169 HydrophobicContact CD1-CG2 3.93Å; Y131-T169 HydrophobicContact CG-CG2 4.37Å; D132-T169 WeakPolarHBondContact O-CG2 3.26Å; E136-T169 HydrophobicContact CG-CG2 3.84Å; E136-T169 WeakPolarHBondContact CG-OG1 3.39Å; T169-V182 PolarHBondContact N-O 3.5Å; T169-V182 PolarHBondContact O-N 3.27Å; T169-R184 WeakPolarHBondContact OG1-CD 3.3Å |
| 170 | P | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 141 | 169.5 | -23.1 | 35.9 | 0 | 0 | 0 | 110.3 | D132 Q135 T179 I180 L181 T244 | D132-P170 HydrophobicContact CB-CB 4.27Å; D132-P170 PolarHBondContact N-O 2.84Å; Q135-P170 HydrophobicContact CB-CG 3.83Å; Q135-P170 VanDerWaalsContact O-CD 3.28Å; Q135-P170 WeakPolarHBondContact O-CD 3.16Å; P170-T179 HydrophobicContact CB-CG2 3.69Å; P170-I180 CarbonylContact C-O 3.56Å; P170-I180 WeakPolarHBondContact CA-O 3.38Å; P170-L181 HydrophobicContact CG-CD2 4.46Å; P170-T244 HydrophobicContact CG-CG2 3.63Å |
| 171 | F | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 116.6 | -176.1 | -176.4 | -98.4 | 0 | 0 | 0 | 108.6 | V127 G129 H130 Y131 C173 T179 I180 V182 V206 L208 | V127-F171 HydrophobicContact CB-CE1 4.26Å; V127-F171 HydrophobicContact CG2-CD1 4.13Å; V127-F171 HydrophobicContact CG2-CE1 3.64Å; V127-F171 HydrophobicContact CG2-CZ 4.43Å; G129-F171 VanDerWaalsContact N-CZ 3.29Å; G129-F171 WeakPolarHBondContact O-CE2 3.28Å; G129-F171 WeakPolarHBondContact O-CZ 3.33Å; H130-F171 WeakPolarHBondContact O-CA 3.5Å; H130-F171 WeakPolarHBondContact O-CD2 3.43Å; Y131-F171 HydrophobicContact CD1-CB 4.33Å; Y131-F171 AromaticContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CD2 3.59Å; Y131-F171 HydrophobicContact CD1-CE2 4.42Å; Y131-F171 HydrophobicContact CD1-CG 4.44Å; Y131-F171 HydrophobicContact CD2-CD2 4.28Å; Y131-F171 HydrophobicContact CD2-CE2 4.38Å; Y131-F171 HydrophobicContact CE1-CB 4.47Å; Y131-F171 AromaticContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CD2 3.6Å; Y131-F171 HydrophobicContact CE1-CE2 4.24Å; Y131-F171 HydrophobicContact CE1-CG 4.4Å; Y131-F171 HydrophobicContact CE2-CD2 4.29Å; Y131-F171 HydrophobicContact CE2-CE2 4.21Å; Y131-F171 AromaticContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CD2 3.94Å; Y131-F171 HydrophobicContact CG-CE2 4.48Å; Y131-F171 AromaticContact CZ-CD2 3.95Å; F171-C173 PolarHBondContact O-N 3.08Å; F171-T179 CarbonylContact O-C 3.55Å; F171-T179 WeakPolarHBondContact O-CA 3.45Å; F171-I180 HydrophobicContact CB-CG1 4.14Å; F171-I180 HydrophobicContact CD1-CD1 4.42Å; F171-I180 HydrophobicContact CD1-CG1 4.27Å; F171-I180 PolarHBondContact N-O 2.93Å; F171-I180 PolarHBondContact O-N 3.2Å; F171-V182 HydrophobicContact CB-CB 4.27Å; F171-V182 HydrophobicContact CB-CG2 3.51Å; F171-V182 HydrophobicContact CD1-CG2 4.42Å; F171-V182 HydrophobicContact CG-CG2 3.99Å; F171-V206 HydrophobicContact CE2-CG2 3.6Å; F171-V206 HydrophobicContact CZ-CG2 4.04Å; F171-L208 HydrophobicContact CZ-CB 4.28Å |
| 172 | Y | 96.8 | Very high | 94 | Very high | 96 Ų | 96 | 28.1 Ų | 28.1 | 38% | 0.376 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.2 | 177 | 179 | -97.2 | 0 | 0 | 0 | 109.1 | G129 H130 S174 | G129-Y172 WeakPolarHBondContact CA-O 3.37Å; H130-Y172 AromaticContact CE1-CD1 3.36Å; H130-Y172 WeakPolarHBondContact CE1-CD1 3.4Å; H130-Y172 AromaticContact CE1-CG 3.88Å; H130-Y172 PolarHBondContact N-O 3.17Å; H130-Y172 AromaticContact ND1-CD1 3.98Å; H130-Y172 PolarHBondContact O-N 2.91Å; Y172-S174 PolarHBondContact O-N 3.06Å |
| 173 | C | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 107 | 177.7 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | R128 F171 D175 L176 G177 I178 | R128-C173 CarbonylContact O-C 3.51Å; R128-C173 WeakPolarHBondContact O-CA 3.12Å; F171-C173 PolarHBondContact O-N 3.08Å; C173-D175 VanDerWaalsContact C-N 3.27Å; C173-D175 PolarHBondContact O-N 2.7Å; C173-L176 HydrophobicContact CB-CB 4.07Å; C173-L176 HydrophobicContact CB-CD1 4.44Å; C173-L176 HydrophobicContact CB-CG 4.48Å; C173-L176 PolarHBondContact O-N 2.53Å; C173-G177 PolarHBondContact O-N 2.63Å; C173-I178 WeakPolarHBondContact CB-O 3.42Å; C173-I178 PolarHBondContact N-O 3.47Å |
| 174 | S | 93.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 22 Ų | 22 | 34% | 0.343 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -38.7 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | R128 Y172 L176 E205 | R128-S174 PolarHBondContact O-N 2.97Å; Y172-S174 PolarHBondContact O-N 3.06Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-L176 PolarHBondContact O-N 3.46Å; S174-E205 WeakPolarHBondContact CB-OE1 3.42Å; S174-E205 PolarHBondContact OG-OE1 2.81Å |
| 175 | D | 89.1 | Confident | 95.5 | Very high | 115 Ų | 115 | 22 Ų | 22 | 62% | 0.615 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -29.9 | -177.3 | -60.3 | -34.1 | 0 | 0 | 0 | 113 | R128 C173 | R128-D175 WeakPolarHBondContact CB-OD2 3.05Å; C173-D175 VanDerWaalsContact C-N 3.27Å; C173-D175 PolarHBondContact O-N 2.7Å |
| 176 | L | 89.8 | Confident | 95.5 | Very high | 51 Ų | 51 | 22.5 Ų | 22.5 | 27% | 0.267 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -15.8 | -172.3 | -61.7 | 176.5 | 0 | 0 | 0 | 113 | L110 I112 C173 S174 I178 | L110-L176 HydrophobicContact CB-CD1 4.13Å; L110-L176 HydrophobicContact CD2-CD1 3.79Å; L110-L176 HydrophobicContact CG-CD1 4.16Å; I112-L176 HydrophobicContact CD1-CD2 3.95Å; I112-L176 HydrophobicContact CG1-CD2 3.72Å; C173-L176 HydrophobicContact CB-CB 4.07Å; C173-L176 HydrophobicContact CB-CD1 4.44Å; C173-L176 HydrophobicContact CB-CG 4.48Å; C173-L176 PolarHBondContact O-N 2.53Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-L176 PolarHBondContact O-N 3.46Å; L176-I178 HydrophobicContact CB-CD1 4.32Å; L176-I178 HydrophobicContact CB-CG1 3.79Å; L176-I178 HydrophobicContact CD1-CD1 4.29Å; L176-I178 HydrophobicContact CD1-CG1 4.45Å; L176-I178 PolarHBondContact O-N 3Å |
| 177 | G | 93 | Very high | 95.4 | Very high | 45 Ų | 45 | 22 Ų | 22 | 46% | 0.464 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 19.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | C173 | C173-G177 PolarHBondContact O-N 2.63Š|
| 178 | I | 94.3 | Very high | 95.3 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 20% | 0.195 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 152.9 | -179.4 | 62.7 | 171.2 | 0 | 0 | 0 | 110.9 | C173 L176 I180 E247 I249 | C173-I178 WeakPolarHBondContact CB-O 3.42Å; C173-I178 PolarHBondContact N-O 3.47Å; L176-I178 HydrophobicContact CB-CD1 4.32Å; L176-I178 HydrophobicContact CB-CG1 3.79Å; L176-I178 HydrophobicContact CD1-CD1 4.29Å; L176-I178 HydrophobicContact CD1-CG1 4.45Å; L176-I178 PolarHBondContact O-N 3Å; I178-I180 HydrophobicContact CD1-CG2 3.97Å; I178-I180 HydrophobicContact CG1-CG2 4.18Å; I178-E247 HydrophobicContact CB-CG 4.22Å; I178-E247 HydrophobicContact CD1-CG 4.32Å; I178-I249 HydrophobicContact CD1-CD1 3.94Å |
| 179 | T | 95.9 | Very high | 95 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132 | 170.7 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | P170 F171 A246 E247 | P170-T179 HydrophobicContact CB-CG2 3.69Å; F171-T179 CarbonylContact O-C 3.55Å; F171-T179 WeakPolarHBondContact O-CA 3.45Å; T179-A246 HydrophobicContact CG2-CB 3.88Å; T179-A246 CarbonylContact O-C 3.56Å; T179-A246 WeakPolarHBondContact O-CA 3.32Å; T179-A246 WeakPolarHBondContact O-CB 3.45Å; T179-E247 PolarHBondContact O-N 3.35Å |
| 180 | I | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 171.3 | 176.6 | 66.2 | 171.2 | 0 | 0 | 0 | 110.8 | L110 V127 P170 F171 I178 V182 I249 I251 | L110-I180 HydrophobicContact CD2-CD1 4.06Å; L110-I180 HydrophobicContact CD2-CG2 4.27Å; V127-I180 HydrophobicContact CG1-CD1 4.48Å; V127-I180 HydrophobicContact CG2-CD1 4.35Å; P170-I180 CarbonylContact C-O 3.56Å; P170-I180 WeakPolarHBondContact CA-O 3.38Å; F171-I180 HydrophobicContact CB-CG1 4.14Å; F171-I180 HydrophobicContact CD1-CD1 4.42Å; F171-I180 HydrophobicContact CD1-CG1 4.27Å; F171-I180 PolarHBondContact N-O 2.93Å; F171-I180 PolarHBondContact O-N 3.2Å; I178-I180 HydrophobicContact CD1-CG2 3.97Å; I178-I180 HydrophobicContact CG1-CG2 4.18Å; I180-V182 HydrophobicContact CD1-CG2 4.18Å; I180-V182 HydrophobicContact CG1-CG2 4.17Å; I180-I249 HydrophobicContact CB-CB 4.06Å; I180-I249 HydrophobicContact CB-CG2 4.22Å; I180-I249 HydrophobicContact CG2-CB 3.77Å; I180-I249 HydrophobicContact CG2-CD1 4.14Å; I180-I249 HydrophobicContact CG2-CG1 4.39Å; I180-I249 HydrophobicContact CG2-CG2 3.96Å; I180-I251 HydrophobicContact CD1-CD1 3.48Å; I180-I251 VanDerWaalsContact CD1-CD1 3.48Å; I180-I251 HydrophobicContact CD1-CG1 4.26Å |
| 181 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.8 | 175.4 | -62.1 | 172.6 | 0 | 0 | 0 | 110.8 | M137 V168 P170 L237 M240 T244 A246 I249 F250 I251 | M137-L181 HydrophobicContact CE-CD2 3.55Å; V168-L181 HydrophobicContact CG1-CB 4.21Å; V168-L181 HydrophobicContact CG1-CD2 4.46Å; P170-L181 HydrophobicContact CG-CD2 4.46Å; L181-L237 HydrophobicContact CD1-CD2 4.15Å; L181-M240 HydrophobicContact CD1-CB 3.49Å; L181-M240 VanDerWaalsContact CD1-CB 3.49Å; L181-M240 HydrophobicContact CD1-SD 4.43Å; L181-T244 HydrophobicContact CD2-CG2 4.48Å; L181-A246 HydrophobicContact CD2-CB 3.91Å; L181-A246 HydrophobicContact CG-CB 4.05Å; L181-I249 WeakPolarHBondContact CB-O 3.25Å; L181-I249 PolarHBondContact N-O 3.48Å; L181-F250 HydrophobicContact CB-CB 4.41Å; L181-F250 HydrophobicContact CB-CD2 3.76Å; L181-F250 HydrophobicContact CB-CG 4.49Å; L181-F250 VanDerWaalsContact O-CA 3.24Å; L181-F250 WeakPolarHBondContact O-CA 3.3Å; L181-I251 PolarHBondContact O-N 3.02Å |
| 182 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.6 | 177.7 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | Y131 V168 T169 F171 I180 R184 L208 I251 A253 | Y131-V182 HydrophobicContact CE1-CB 4.13Å; Y131-V182 HydrophobicContact CE1-CG1 4Å; V168-V182 CarbonylContact C-O 3.58Å; V168-V182 VanDerWaalsContact CA-O 3.3Å; V168-V182 WeakPolarHBondContact CA-O 3.21Å; T169-V182 PolarHBondContact N-O 3.5Å; T169-V182 PolarHBondContact O-N 3.27Å; F171-V182 HydrophobicContact CB-CB 4.27Å; F171-V182 HydrophobicContact CB-CG2 3.51Å; F171-V182 HydrophobicContact CD1-CG2 4.42Å; F171-V182 HydrophobicContact CG-CG2 3.99Å; I180-V182 HydrophobicContact CD1-CG2 4.18Å; I180-V182 HydrophobicContact CG1-CG2 4.17Å; V182-R184 HydrophobicContact CG1-CG 4.29Å; V182-R184 PolarHBondContact O-N 2.94Å; V182-L208 HydrophobicContact CB-CD2 4.14Å; V182-L208 HydrophobicContact CG1-CD1 4.42Å; V182-L208 HydrophobicContact CG1-CD2 3.52Å; V182-L208 HydrophobicContact CG2-CD2 3.49Å; V182-L208 VanDerWaalsContact CG2-CD2 3.49Å; V182-I251 CarbonylContact C-O 3.54Å; V182-I251 WeakPolarHBondContact CA-O 3.32Å; V182-A253 HydrophobicContact CG1-CB 4.38Å |
| 183 | N | 97.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 103.4 | 163.2 | 173.8 | 20.2 | 0 | 0 | 0 | 109.5 | N166 V167 V168 G185 F250 I251 D252 A253 | N166-N183 WeakPolarHBondContact CB-OD1 3.02Å; N166-N183 PolarHBondContact ND2-ND2 3.32Å; V167-N183 PolarHBondContact O-OD1 2.86Å; V168-N183 HydrophobicContact CG2-CB 4.16Å; N183-G185 PolarHBondContact O-N 3.49Å; N183-G185 VanDerWaalsContact OD1-CA 3.32Å; N183-G185 WeakPolarHBondContact OD1-CA 3.32Å; N183-G185 PolarHBondContact OD1-N 2.97Å; N183-F250 HydrophobicContact CB-CE1 4.01Å; N183-F250 HydrophobicContact CB-CE2 4.01Å; N183-F250 HydrophobicContact CB-CZ 3.34Å; N183-I251 PolarHBondContact N-O 3.34Å; N183-D252 WeakPolarHBondContact CB-OD1 3.47Å; N183-D252 PolarHBondContact ND2-OD1 3.32Å; N183-A253 WeakPolarHBondContact O-CB 3.4Å; N183-A253 PolarHBondContact O-N 3.44Å |
| 184 | R | 95.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -18.8 | 178.2 | -60.2 | 178.5 | 61.6 | -156.3 | -1.6 | 112.3 | Y131 H133 E136 V167 T169 V182 G200 P263 G265 | Y131-R184 HydrophobicContact CD1-CG 4.28Å; Y131-R184 HydrophobicContact CE1-CG 3.67Å; H133-R184 PolarHBondContact CE1-NH1 2.88Å; H133-R184 PolarHBondContact ND1-NH1 2.88Å; E136-R184 IonicContact OE1-NH1 2.83Å; E136-R184 PolarHBondContact OE1-NH1 3.45Å; E136-R184 VanDerWaalsContact OE1-NH1 3.17Å; V167-R184 PolarHBondContact O-N 3.42Å; T169-R184 WeakPolarHBondContact OG1-CD 3.3Å; V182-R184 HydrophobicContact CG1-CG 4.29Å; V182-R184 PolarHBondContact O-N 2.94Å; R184-G200 PolarHBondContact NH2-O 3.28Å; R184-P263 HydrophobicContact CB-CB 3.96Å; R184-P263 HydrophobicContact CB-CG 4.02Å; R184-G265 PolarHBondContact O-N 3.45Å |
| 185 | G | 95.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.3 | -158.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | N166 V167 N183 I264 | N166-G185 CarbonylContact C-O 3.58Å; N166-G185 VanDerWaalsContact CA-O 3.29Å; N166-G185 WeakPolarHBondContact CA-O 3.23Å; V167-G185 PolarHBondContact N-O 2.73Å; N183-G185 PolarHBondContact O-N 3.49Å; N183-G185 VanDerWaalsContact OD1-CA 3.32Å; N183-G185 WeakPolarHBondContact OD1-CA 3.32Å; N183-G185 PolarHBondContact OD1-N 2.97Å; G185-I264 CarbonylContact C-O 3.46Å; G185-I264 WeakPolarHBondContact CA-O 3.36Å |
| 186 | Y | 95.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 139.3 | -166.3 | 171.3 | -95 | 0 | 0 | 0 | 112.9 | P144 A165 P188 P263 I264 | P144-Y186 HydrophobicContact CB-CD1 3.72Å; P144-Y186 HydrophobicContact CB-CD2 4.38Å; P144-Y186 HydrophobicContact CB-CE1 3.74Å; P144-Y186 HydrophobicContact CB-CE2 4.41Å; P144-Y186 HydrophobicContact CB-CG 4.04Å; P144-Y186 HydrophobicContact CG-CD1 4.45Å; P144-Y186 HydrophobicContact CG-CE1 3.98Å; A165-Y186 CarbonylContact O-C 3.43Å; A165-Y186 WeakPolarHBondContact O-CA 3.28Å; Y186-P188 HydrophobicContact CE1-CG 4.01Å; Y186-P263 WeakPolarHBondContact O-CA 3.42Å; Y186-I264 PolarHBondContact N-O 2.92Å; Y186-I264 PolarHBondContact O-N 2.95Å |
| 187 | V | 95.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.5 | 165.6 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | G164 A165 V167 K191 I192 P263 | G164-V187 CarbonylContact C-O 3.56Å; G164-V187 WeakPolarHBondContact CA-O 3.4Å; A165-V187 HydrophobicContact CB-CG2 4.32Å; A165-V187 PolarHBondContact N-O 3.03Å; A165-V187 PolarHBondContact O-N 3.09Å; V167-V187 HydrophobicContact CG2-CB 4.38Å; V167-V187 HydrophobicContact CG2-CG1 3.88Å; V167-V187 HydrophobicContact CG2-CG2 3.57Å; V187-K191 HydrophobicContact CB-CB 4.31Å; V187-I192 HydrophobicContact CG2-CG1 4.02Å; V187-P263 HydrophobicContact CG1-CB 3.75Å; V187-P263 HydrophobicContact CG1-CG 3.77Å |
| 188 | P | 94 | Very high | 94.4 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 155 | 170 | -22.4 | 31.9 | 0 | 0 | 0 | 112 | Y186 K190 K191 I192 | Y186-P188 HydrophobicContact CE1-CG 4.01Å; P188-K190 PolarHBondContact O-N 3.49Å; P188-K191 WeakPolarHBondContact O-CA 3.2Å; P188-K191 PolarHBondContact O-N 3.19Å; P188-I192 PolarHBondContact O-N 3.04Å |
| 189 | R | 92.5 | Very high | 94.1 | Very high | 190 Ų | 190 | 64.4 Ų | 64.4 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -50.7 | -34.7 | -179.2 | -171.8 | 172.6 | 177.3 | 173.9 | -1.8 | 114.8 | T163 K191 I192 | T163-R189 WeakPolarHBondContact O-CB 3.02Å; T163-R189 PolarHBondContact O-N 2.88Å; R189-K191 VanDerWaalsContact C-N 3.26Å; R189-K191 PolarHBondContact O-N 3.38Å; R189-I192 HydrophobicContact CG-CD1 4.32Å |
| 190 | K | 92.6 | Very high | 93.7 | Very high | 193 Ų | 193 | 62.6 Ų | 62.6 | 84% | 0.839 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -71.9 | -17.4 | 178.1 | -61.4 | -176.1 | -177.9 | 179.7 | 0 | 113.7 | P188 | P188-K190 PolarHBondContact O-N 3.49Š|
| 191 | K | 93.4 | Very high | 93.5 | Very high | 104 Ų | 104 | 63.8 Ų | 63.8 | 45% | 0.452 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -112 | 12.6 | -175.4 | -68.4 | -169.7 | 173.9 | -174.3 | 0 | 114.4 | V187 P188 R189 T196 R197 | V187-K191 HydrophobicContact CB-CB 4.31Å; P188-K191 WeakPolarHBondContact O-CA 3.2Å; P188-K191 PolarHBondContact O-N 3.19Å; R189-K191 VanDerWaalsContact C-N 3.26Å; R189-K191 PolarHBondContact O-N 3.38Å; K191-T196 VanDerWaalsContact CA-OG1 3.26Å; K191-T196 WeakPolarHBondContact CA-OG1 3.34Å; K191-R197 PolarHBondContact O-NE 2.83Å |
| 192 | I | 93.7 | Very high | 93.2 | Very high | 37 Ų | 37 | 65.5 Ų | 65.5 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | trans | -62.6 | -44.9 | 179.1 | -68 | 175.4 | 0 | 0 | 0 | 110.4 | Y138 A165 V187 P188 R189 R197 | Y138-I192 HydrophobicContact CD1-CG2 3.69Å; Y138-I192 HydrophobicContact CD2-CG2 4.39Å; Y138-I192 HydrophobicContact CE1-CG2 3.84Å; Y138-I192 WeakPolarHBondContact CE1-O 3.42Å; Y138-I192 HydrophobicContact CG-CG2 3.97Å; A165-I192 HydrophobicContact CB-CD1 3.95Å; A165-I192 HydrophobicContact CB-CG1 3.97Å; V187-I192 HydrophobicContact CG2-CG1 4.02Å; P188-I192 PolarHBondContact O-N 3.04Å; R189-I192 HydrophobicContact CG-CD1 4.32Å; I192-R197 PolarHBondContact O-NH2 3.22Å | ||
| 193 | K | 92.9 | Very high | 92.8 | Very high | 138 Ų | 138 | 71.7 Ų | 71.7 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -65.3 | 132.6 | -178.5 | -68.1 | -173.6 | 175.2 | -169.4 | 0 | 111.6 | E195 T196 | K193-E195 VanDerWaalsContact C-N 3.28Å; K193-E195 PolarHBondContact O-N 3.43Å; K193-T196 HydrophobicContact CB-CG2 4.16Å; K193-T196 PolarHBondContact O-N 2.99Å; K193-T196 PolarHBondContact O-OG1 3.37Å |
| 194 | P | 93.3 | Very high | 92.5 | Very high | 41 Ų | 41 | 77.6 Ų | 77.6 | 27% | 0.266 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -52.4 | -43.2 | 179.5 | -30 | 37.5 | 0 | 0 | 0 | 113.8 | Y138 T196 R197 M198 | Y138-P194 WeakPolarHBondContact OH-CD 3.35Å; Y138-P194 WeakPolarHBondContact OH-CG 3.47Å; P194-T196 PolarHBondContact O-N 3.37Å; P194-R197 CarbonylContact O-C 3.58Å; P194-R197 WeakPolarHBondContact O-CG 3.46Å; P194-R197 PolarHBondContact O-N 3.09Å; P194-M198 PolarHBondContact O-N 3.2Å |
| 195 | E | 92.5 | Very high | 92.4 | Very high | 152 Ų | 152 | 82.3 Ų | 82.3 | 71% | 0.71 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -54.6 | -28.4 | 179.6 | -61.3 | 163.8 | -134.7 | 0 | 0 | 113.6 | K193 R197 | K193-E195 VanDerWaalsContact C-N 3.28Å; K193-E195 PolarHBondContact O-N 3.43Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.06Å |
| 196 | T | 93.1 | Very high | 92.3 | Very high | 68 Ų | 68 | 83.8 Ų | 83.8 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -84.9 | -2.8 | -178.8 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | K191 K193 P194 | K191-T196 VanDerWaalsContact CA-OG1 3.26Å; K191-T196 WeakPolarHBondContact CA-OG1 3.34Å; K193-T196 HydrophobicContact CB-CG2 4.16Å; K193-T196 PolarHBondContact O-N 2.99Å; K193-T196 PolarHBondContact O-OG1 3.37Å; P194-T196 PolarHBondContact O-N 3.37Å |
| 197 | R | 92.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 86.8 Ų | 86.8 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -142.4 | 38.2 | -176 | 58.6 | 171.2 | 160.2 | 88.6 | 5.1 | 113 | E136 Y138 K191 I192 P194 E195 K199 G200 Q201 | E136-R197 IonicContact OE1-NH1 3.37Å; E136-R197 PolarHBondContact OE1-NH1 2.86Å; E136-R197 VanDerWaalsContact OE1-NH1 3.08Å; E136-R197 IonicContact OE2-CZ 2.73Å; E136-R197 IonicContact OE2-NH1 3.52Å; E136-R197 PolarHBondContact OE2-NH1 3.18Å; E136-R197 IonicContact OE2-NH2 3.58Å; E136-R197 PolarHBondContact OE2-NH2 2.78Å; Y138-R197 PolarHBondContact OH-NH2 2.87Å; K191-R197 PolarHBondContact O-NE 2.83Å; I192-R197 PolarHBondContact O-NH2 3.22Å; P194-R197 CarbonylContact O-C 3.58Å; P194-R197 WeakPolarHBondContact O-CG 3.46Å; P194-R197 PolarHBondContact O-N 3.09Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.06Å; R197-K199 PolarHBondContact O-N 3.45Å; R197-K199 VanDerWaalsContact O-N 3.1Å; R197-G200 PolarHBondContact O-N 3.13Å; R197-Q201 VanDerWaalsContact NH1-CD 3.28Å |
| 198 | M | 90.8 | Very high | 92.3 | Very high | 121 Ų | 121 | 86.7 Ų | 86.7 | 60% | 0.596 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -51.2 | -36.2 | -178.1 | -65.6 | -56.7 | -62.2 | 0 | 0 | 114.2 | P194 G200 Q201 | P194-M198 PolarHBondContact O-N 3.2Å; M198-G200 PolarHBondContact O-N 3.48Å; M198-G200 VanDerWaalsContact O-N 3.16Å; M198-Q201 PolarHBondContact O-N 2.8Å |
| 199 | K | 89.6 | Confident | 92.4 | Very high | 179 Ų | 179 | 85.1 Ų | 85.1 | 78% | 0.778 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -60.4 | -25.3 | 177.1 | -65.6 | -171 | 178.3 | -172.6 | 0 | 113.8 | R197 | R197-K199 PolarHBondContact O-N 3.45Å; R197-K199 VanDerWaalsContact O-N 3.1Å |
| 200 | G | 87.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -85.9 | -12.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R184 R197 M198 V202 | R184-G200 PolarHBondContact NH2-O 3.28Å; R197-G200 PolarHBondContact O-N 3.13Å; M198-G200 PolarHBondContact O-N 3.48Å; M198-G200 VanDerWaalsContact O-N 3.16Å; G200-V202 PolarHBondContact O-N 3Å |
| 201 | Q | 90.6 | Very high | 92.6 | Very high | 26 Ų | 26 | 67.4 Ų | 67.4 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | trans | -88.9 | 87.3 | -179.2 | -55.4 | -58.4 | 68.3 | 0 | 0 | 108.3 | H133 E136 R197 M198 | H133-Q201 PolarHBondContact CE1-OE1 3.05Å; H133-Q201 PolarHBondContact ND1-OE1 3Å; E136-Q201 PolarHBondContact OE1-NE2 3.4Å; E136-Q201 PolarHBondContact OE1-OE1 3.18Å; E136-Q201 PolarHBondContact OE2-NE2 3.48Å; R197-Q201 VanDerWaalsContact NH1-CD 3.28Å; M198-Q201 PolarHBondContact O-N 2.8Å | ||
| 202 | V | 91.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 21% | 0.212 | 32% | 0.315 | C | S | . | . | trans | -96.8 | 125.6 | -178.1 | -62.7 | 0 | 0 | 0 | 0 | 108.6 | Y131 H133 G200 V206 I259 | Y131-V202 HydrophobicContact CD2-CG2 4.31Å; H133-V202 PolarHBondContact NE2-N 3.18Å; H133-V202 PolarHBondContact NE2-O 2.83Å; G200-V202 PolarHBondContact O-N 3Å; V202-V206 HydrophobicContact CG2-CG1 4.01Å; V202-I259 HydrophobicContact CG1-CD1 4.43Å; V202-I259 HydrophobicContact CG1-CG2 3.82Å; V202-I259 HydrophobicContact CG2-CD1 3.44Å; V202-I259 VanDerWaalsContact CG2-CD1 3.44Å; V202-I259 HydrophobicContact CG2-CG1 4.4Å | ||
| 203 | D | 89.4 | Confident | 92.6 | Very high | 131 Ų | 131 | 62.3 Ų | 62.3 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | trans | -91.5 | -9.9 | 179.1 | -59.8 | -40.4 | 0 | 0 | 0 | 112.1 | H133 | H133-D203 IonicContact CD2-OD1 3.2Š| ||
| 204 | D | 90.8 | Very high | 92.6 | Very high | 127 Ų | 127 | 57.6 Ų | 57.6 | 68% | 0.679 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -75.4 | 162.6 | 179.4 | -62.3 | -47.8 | 0 | 0 | 0 | 112.7 | ||
| 205 | E | 93.6 | Very high | 92.6 | Very high | 108 Ų | 108 | 59.3 Ų | 59.3 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | trans | -69.5 | 132.9 | 173.7 | -159.5 | 176.5 | -151.5 | 0 | 0 | 111.2 | R128 G129 S174 | R128-E205 HydrophobicContact CG-CG 3.76Å; R128-E205 WeakPolarHBondContact CG-OE1 3.36Å; G129-E205 CarbonylContact O-C 3.58Å; G129-E205 WeakPolarHBondContact O-CA 3.49Å; S174-E205 WeakPolarHBondContact CB-OE1 3.42Å; S174-E205 PolarHBondContact OG-OE1 2.81Å | ||
| 206 | V | 94.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.6 | -177.1 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | R128 G129 Y131 F171 V202 L208 | R128-V206 WeakPolarHBondContact CA-O 3.49Å; G129-V206 PolarHBondContact N-O 3.42Å; G129-V206 PolarHBondContact O-N 3.18Å; Y131-V206 HydrophobicContact CD2-CG2 4.29Å; Y131-V206 HydrophobicContact CE2-CG2 3.71Å; F171-V206 HydrophobicContact CE2-CG2 3.6Å; F171-V206 HydrophobicContact CZ-CG2 4.04Å; V202-V206 HydrophobicContact CG2-CG1 4.01Å; V206-L208 PolarHBondContact O-N 3.1Å |
| 207 | D | 94.8 | Very high | 92.5 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 108.5 | 165.5 | -87.5 | -2.5 | 0 | 0 | 0 | 108.8 | K126 R128 | K126-D207 WeakPolarHBondContact CE-OD2 3.19Å; K126-D207 IonicContact NZ-OD2 3.78Å; K126-D207 PolarHBondContact NZ-OD2 2.81Å; R128-D207 IonicContact CZ-OD1 3.17Å; R128-D207 IonicContact NE-OD1 3.02Å; R128-D207 PolarHBondContact NE-OD1 2.78Å; R128-D207 IonicContact NH2-OD1 2.7Å; R128-D207 PolarHBondContact NH2-OD1 3.35Å; R128-D207 IonicContact NH2-OD2 2.81Å; R128-D207 PolarHBondContact NH2-OD2 3.12Å |
| 208 | L | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.5 | 179.3 | 173.2 | 66.6 | 0 | 0 | 0 | 110.3 | K126 V127 F171 V182 V206 A253 | K126-L208 WeakPolarHBondContact CA-O 3.44Å; V127-L208 HydrophobicContact CG2-CB 3.93Å; V127-L208 HydrophobicContact CG2-CD2 3.9Å; V127-L208 HydrophobicContact CG2-CG 4.17Å; V127-L208 PolarHBondContact N-O 3.24Å; V127-L208 PolarHBondContact O-N 2.94Å; F171-L208 HydrophobicContact CZ-CB 4.28Å; V182-L208 HydrophobicContact CB-CD2 4.14Å; V182-L208 HydrophobicContact CG1-CD1 4.42Å; V182-L208 HydrophobicContact CG1-CD2 3.52Å; V182-L208 HydrophobicContact CG2-CD2 3.49Å; V182-L208 VanDerWaalsContact CG2-CD2 3.49Å; V206-L208 PolarHBondContact O-N 3.1Å; L208-A253 HydrophobicContact CD1-CB 3.78Å |
| 209 | V | 95.9 | Very high | 92.4 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.3 | 165.1 | 179.3 | 0 | 0 | 0 | 0 | 108 | P107 V125 K126 D254 S257 | P107-V209 HydrophobicContact CB-CG1 4.08Å; P107-V209 HydrophobicContact CG-CG1 3.61Å; P107-V209 HydrophobicContact CG-CG2 4.3Å; V125-V209 WeakPolarHBondContact O-CA 3.37Å; K126-V209 HydrophobicContact CB-CG2 4.33Å; K126-V209 HydrophobicContact CD-CG2 4.48Å; K126-V209 HydrophobicContact CG-CG2 4.1Å; V209-D254 HydrophobicContact CG1-CB 4.44Å; V209-D254 WeakPolarHBondContact O-CB 3.12Å; V209-D254 PolarHBondContact O-N 3.32Å; V209-S257 PolarHBondContact N-OG 2.91Å; V209-S257 PolarHBondContact O-OG 3.46Å |
| 210 | G | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | -179 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R124 V125 I251 D252 | R124-G210 CarbonylContact C-O 3.56Å; R124-G210 WeakPolarHBondContact CA-O 3.34Å; V125-G210 PolarHBondContact N-O 2.92Å; V125-G210 PolarHBondContact O-N 3.07Å; G210-I251 VanDerWaalsContact C-CG2 3.45Å; G210-D252 CarbonylContact C-O 3.54Å; G210-D252 WeakPolarHBondContact CA-O 3.4Å |
| 211 | V | 94.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.5 | -174.8 | -180 | 0 | 0 | 0 | 0 | 109.2 | T103 Y122 R123 R124 R213 I251 D252 T268 | T103-V211 HydrophobicContact CG2-CG1 4.45Å; Y122-V211 VanDerWaalsContact CA-CG1 3.45Å; R123-V211 WeakPolarHBondContact O-CA 3.46Å; R124-V211 HydrophobicContact CG-CG2 4.21Å; V211-R213 PolarHBondContact O-N 3.2Å; V211-I251 WeakPolarHBondContact O-CA 3.27Å; V211-D252 PolarHBondContact N-O 2.9Å; V211-D252 PolarHBondContact O-N 3.49Å; V211-T268 HydrophobicContact CG1-CG2 4.41Å |
| 212 | V | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 132.2 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | L110 L117 L120 Y122 R123 V125 | L110-V212 HydrophobicContact CD1-CG2 4.49Å; L117-V212 HydrophobicContact CD1-CG1 3.69Å; L117-V212 HydrophobicContact CD1-CG2 4.02Å; L117-V212 HydrophobicContact CG-CG1 4Å; L120-V212 HydrophobicContact CB-CB 4.5Å; L120-V212 HydrophobicContact CB-CG1 4.41Å; L120-V212 WeakPolarHBondContact O-CB 3.27Å; Y122-V212 PolarHBondContact N-O 2.79Å; R123-V212 PolarHBondContact O-N 3.25Å; V125-V212 HydrophobicContact CB-CG2 4.3Å; V125-V212 HydrophobicContact CG1-CG2 3.58Å; V125-V212 HydrophobicContact CG2-CG2 3.69Å |
| 213 | R | 93.8 | Very high | 92.6 | Very high | 33 Ų | 33 | 74.6 Ų | 74.6 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | trans | -136 | 139.3 | 175.7 | -61.9 | -65.2 | -56.8 | -79.5 | 5.7 | 110.6 | E121 Y122 V211 R235 F250 D252 | E121-R213 IonicContact OE1-NE 3.13Å; Y122-R213 PolarHBondContact OH-NH2 3.49Å; V211-R213 PolarHBondContact O-N 3.2Å; R213-R235 PolarHBondContact O-NH1 3.28Å; R213-F250 HydrophobicContact CB-CD1 4.01Å; R213-F250 HydrophobicContact CB-CE1 4.32Å; R213-F250 PolarHBondContact N-O 2.96Å; R213-D252 HydrophobicContact CG-CB 4.47Å; R213-D252 WeakPolarHBondContact CG-OD2 3.24Å; R213-D252 IonicContact NH1-OD2 3.94Å | ||
| 214 | L | 92.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 20% | 0.204 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 162.4 | -178.4 | -55.8 | 179.6 | 0 | 0 | 0 | 112.7 | E121 R235 | E121-L214 HydrophobicContact CB-CD1 4.11Å; E121-L214 HydrophobicContact CB-CG 4.1Å; E121-L214 HydrophobicContact CG-CD1 4.37Å; E121-L214 HydrophobicContact CG-CG 4.04Å; L214-R235 VanDerWaalsContact C-NH1 3.32Å; L214-R235 PolarHBondContact O-NH1 3.36Å; L214-R235 PolarHBondContact O-NH2 3.47Å |
| 215 | T | 93.9 | Very high | 93.1 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 140.7 | 179.9 | -163.4 | 0 | 0 | 0 | 0 | 112.7 | R235 L237 | T215-R235 PolarHBondContact OG1-O 3.24Å; T215-L237 PolarHBondContact OG1-N 3.32Å |
| 216 | E | 92 | Very high | 93.2 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 27% | 0.271 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 130.8 | -179.2 | -74 | 174.4 | -172.7 | 0 | 0 | 111.1 | R142 R218 R235 | R142-E216 IonicContact NH2-OE1 2.63Å; R142-E216 IonicContact NH2-OE2 2.9Å; E216-R218 PolarHBondContact O-N 3.32Å; E216-R235 HydrophobicContact CB-CB 4.25Å; E216-R235 HydrophobicContact CG-CB 3.93Å; E216-R235 PolarHBondContact N-O 2.78Å; E216-R235 IonicContact OE1-CZ 2.86Å; E216-R235 IonicContact OE1-NE 3.08Å; E216-R235 PolarHBondContact OE1-NE 2.94Å; E216-R235 IonicContact OE1-NH2 2.91Å; E216-R235 PolarHBondContact OE1-NH2 3.45Å; E216-R235 PolarHBondContact OE2-N 2.83Å |
| 217 | I | 90.8 | Very high | 93.3 | Very high | 159 Ų | 159 | 66.4 Ų | 66.4 | 82% | 0.815 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 119.1 | 167.5 | -56.7 | 173.4 | 0 | 0 | 0 | 108.2 | K219 | I217-K219 PolarHBondContact O-N 2.99Š|
| 218 | R | 92.3 | Very high | 93.2 | Very high | 114 Ų | 114 | 70.6 Ų | 70.6 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 123.4 | 176.3 | -177.6 | -177.8 | 164 | -138.3 | -9.9 | 110.5 | E216 V222 Y234 | E216-R218 PolarHBondContact O-N 3.32Å; R218-V222 HydrophobicContact CG-CB 4.34Å; R218-V222 PolarHBondContact NE-O 3.44Å; R218-V222 PolarHBondContact NH2-O 3.22Å; R218-Y234 HydrophobicContact CB-CD1 4.32Å; R218-Y234 HydrophobicContact CB-CD2 4.31Å; R218-Y234 HydrophobicContact CB-CE1 4.08Å; R218-Y234 HydrophobicContact CB-CE2 4.07Å; R218-Y234 HydrophobicContact CB-CG 4.44Å; R218-Y234 HydrophobicContact CG-CD1 4.03Å; R218-Y234 HydrophobicContact CG-CE1 3.78Å |
| 219 | K | 90.3 | Very high | 93.2 | Very high | 154 Ų | 154 | 79.6 Ų | 79.6 | 67% | 0.67 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 151.4 | 176.5 | -65.1 | 179.6 | -177.2 | 175.2 | 0 | 110.9 | I217 F221 V222 | I217-K219 PolarHBondContact O-N 2.99Å; K219-F221 PolarHBondContact O-N 2.91Å; K219-V222 HydrophobicContact CB-CG2 3.9Å; K219-V222 PolarHBondContact O-N 3.36Å |
| 220 | P | 89.9 | Confident | 93.2 | Very high | 105 Ų | 105 | 80.8 Ų | 80.8 | 68% | 0.682 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 141.9 | 168.5 | -24.2 | 34.2 | 0 | 0 | 0 | 110.5 | V222 | P220-V222 PolarHBondContact O-N 3.39Š|
| 221 | F | 89.7 | Confident | 93.2 | Very high | 204 Ų | 204 | 86.4 Ų | 86.4 | 90% | 0.895 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 2.6 | -179.6 | -44.3 | -76.8 | 0 | 0 | 0 | 116.7 | K219 | K219-F221 PolarHBondContact O-N 2.91Š|
| 222 | V | 90.1 | Very high | 93.3 | Very high | 40 Ų | 40 | 86 Ų | 86 | 24% | 0.242 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 130.3 | 164.5 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | R218 K219 P220 H233 Y234 | R218-V222 HydrophobicContact CG-CB 4.34Å; R218-V222 PolarHBondContact NE-O 3.44Å; R218-V222 PolarHBondContact NH2-O 3.22Å; K219-V222 HydrophobicContact CB-CG2 3.9Å; K219-V222 PolarHBondContact O-N 3.36Å; P220-V222 PolarHBondContact O-N 3.39Å; V222-H233 HydrophobicContact CG1-CB 3.84Å; V222-Y234 HydrophobicContact CG1-CD1 4.04Å |
| 223 | P | 93.1 | Very high | 93.4 | Very high | 74 Ų | 74 | 88.1 Ų | 88.1 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 159.7 | 175.4 | -19.2 | 31.1 | 0 | 0 | 0 | 112.2 | ||
| 224 | Q | 94.5 | Very high | 93.4 | Very high | 106 Ų | 106 | 87.3 Ų | 87.3 | 50% | 0.495 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 148 | 172.8 | -165.6 | 64.3 | 20.7 | 0 | 0 | 109.8 | H233 Y234 | Q224-H233 PolarHBondContact O-CD2 3.08Å; Q224-Y234 PolarHBondContact NE2-OH 3.47Å |
| 225 | N | 96 | Very high | 93.5 | Very high | 17 Ų | 17 | 85.8 Ų | 85.8 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 139.5 | 173.8 | -67.5 | -28.2 | 0 | 0 | 0 | 110.9 | W232 H233 Y234 D236 | N225-W232 HydrophobicContact CB-CD2 4.42Å; N225-W232 HydrophobicContact CB-CE3 3.77Å; N225-W232 HydrophobicContact CB-CZ3 4.2Å; N225-H233 PolarHBondContact OD1-N 2.87Å; N225-Y234 PolarHBondContact ND2-O 3.26Å; N225-Y234 WeakPolarHBondContact OD1-CD1 3.47Å; N225-Y234 PolarHBondContact OD1-N 3.41Å; N225-Y234 PolarHBondContact OD1-O 3.38Å; N225-D236 WeakPolarHBondContact ND2-CB 3.47Å |
| 226 | D | 95.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 83.1 Ų | 83.1 | 25% | 0.246 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -107 | 94.3 | 177.5 | 179.6 | -14.8 | 0 | 0 | 0 | 107.9 | R229 N230 R231 | D226-R229 WeakPolarHBondContact OD1-CB 3.36Å; D226-R229 PolarHBondContact OD1-N 3.14Å; D226-R229 VanDerWaalsContact OD2-CD 3.29Å; D226-R229 WeakPolarHBondContact OD2-CD 3.23Å; D226-R229 WeakPolarHBondContact OD2-CG 3.37Å; D226-N230 PolarHBondContact O-N 3Å; D226-R231 HydrophobicContact CB-CB 4.25Å; D226-R231 PolarHBondContact N-O 3.35Å; D226-R231 PolarHBondContact O-N 2.91Å |
| 227 | V | 95.2 | Very high | 93.8 | Very high | 57 Ų | 57 | 80.8 Ų | 80.8 | 35% | 0.345 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -43.2 | -174.9 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | R229 N230 W232 T239 V243 | V227-R229 VanDerWaalsContact C-N 3.31Å; V227-R229 PolarHBondContact O-N 3.24Å; V227-N230 PolarHBondContact O-N 3.4Å; V227-W232 HydrophobicContact CG2-CH2 4.06Å; V227-W232 HydrophobicContact CG2-CZ2 4.32Å; V227-T239 HydrophobicContact CG2-CG2 3.83Å; V227-V243 HydrophobicContact CG1-CG2 3.53Å |
| 228 | D | 94.2 | Very high | 93.9 | Very high | 163 Ų | 163 | 78 Ų | 78 | 87% | 0.872 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -37.9 | -176.5 | -59.3 | -35.1 | 0 | 0 | 0 | 112.3 | N230 | D228-N230 VanDerWaalsContact C-N 3.34Š|
| 229 | R | 94.8 | Very high | 94.1 | Very high | 190 Ų | 190 | 74.7 Ų | 74.7 | 72% | 0.717 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.4 | 176.2 | -59.2 | -171.7 | 178 | 159.7 | -5 | 113.6 | D226 V227 R231 | D226-R229 WeakPolarHBondContact OD1-CB 3.36Å; D226-R229 PolarHBondContact OD1-N 3.14Å; D226-R229 VanDerWaalsContact OD2-CD 3.29Å; D226-R229 WeakPolarHBondContact OD2-CD 3.23Å; D226-R229 WeakPolarHBondContact OD2-CG 3.37Å; V227-R229 VanDerWaalsContact C-N 3.31Å; V227-R229 PolarHBondContact O-N 3.24Å; R229-R231 VanDerWaalsContact C-N 3.27Å; R229-R231 HydrophobicContact CB-CG 4.25Å; R229-R231 PolarHBondContact O-N 2.97Å |
| 230 | N | 95.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 67.3 Ų | 67.3 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 44.8 | -176.7 | -168.3 | 17.8 | 0 | 0 | 0 | 113.1 | E136 M137 D226 V227 D228 W232 | E136-N230 PolarHBondContact O-ND2 3Å; M137-N230 VanDerWaalsContact CA-OD1 3.3Å; M137-N230 WeakPolarHBondContact CA-OD1 3.36Å; D226-N230 PolarHBondContact O-N 3Å; V227-N230 PolarHBondContact O-N 3.4Å; D228-N230 VanDerWaalsContact C-N 3.34Å; N230-W232 PolarHBondContact OD1-NE1 3.07Å |
| 231 | R | 95.3 | Very high | 94.7 | Very high | 120 Ų | 120 | 62.7 Ų | 62.7 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 105.8 | 179.3 | -69.1 | 176.6 | 65.4 | 112.5 | 1.9 | 109.5 | D226 R229 | D226-R231 HydrophobicContact CB-CB 4.25Å; D226-R231 PolarHBondContact N-O 3.35Å; D226-R231 PolarHBondContact O-N 2.91Å; R229-R231 VanDerWaalsContact C-N 3.27Å; R229-R231 HydrophobicContact CB-CG 4.25Å; R229-R231 PolarHBondContact O-N 2.97Å |
| 232 | W | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.8 | -178.1 | -56.4 | 79.1 | 0 | 0 | 0 | 109.6 | M137 Y138 I139 L140 N225 V227 N230 D236 T239 M240 V243 | M137-W232 HydrophobicContact CG-CZ2 4.32Å; M137-W232 HydrophobicContact SD-CH2 4.32Å; M137-W232 HydrophobicContact SD-CZ2 3.61Å; Y138-W232 WeakPolarHBondContact O-CB 3.24Å; Y138-W232 PolarHBondContact O-N 2.91Å; I139-W232 CarbonylContact C-O 3.53Å; I139-W232 VanDerWaalsContact CA-O 3.26Å; I139-W232 WeakPolarHBondContact CA-O 3.29Å; I139-W232 HydrophobicContact CB-CB 4.45Å; I139-W232 HydrophobicContact CG1-CB 3.95Å; L140-W232 PolarHBondContact N-O 3.47Å; N225-W232 HydrophobicContact CB-CD2 4.42Å; N225-W232 HydrophobicContact CB-CE3 3.77Å; N225-W232 HydrophobicContact CB-CZ3 4.2Å; V227-W232 HydrophobicContact CG2-CH2 4.06Å; V227-W232 HydrophobicContact CG2-CZ2 4.32Å; N230-W232 PolarHBondContact OD1-NE1 3.07Å; W232-D236 HydrophobicContact CZ3-CB 4.46Å; W232-T239 HydrophobicContact CH2-CG2 3.81Å; W232-T239 HydrophobicContact CZ3-CG2 3.96Å; W232-M240 HydrophobicContact CB-CE 4.07Å; W232-M240 HydrophobicContact CD2-CE 3.61Å; W232-M240 HydrophobicContact CD2-CG 4.29Å; W232-M240 HydrophobicContact CE3-CE 3.35Å; W232-M240 HydrophobicContact CE3-CG 3.77Å; W232-M240 HydrophobicContact CE3-SD 4.45Å; W232-M240 HydrophobicContact CG-CE 3.92Å; W232-M240 HydrophobicContact CH2-CB 4.28Å; W232-M240 HydrophobicContact CH2-CG 3.55Å; W232-M240 HydrophobicContact CZ2-CG 4.09Å; W232-M240 HydrophobicContact CZ3-CB 4.43Å; W232-M240 HydrophobicContact CZ3-CE 3.99Å; W232-M240 HydrophobicContact CZ3-CG 3.38Å; W232-V243 HydrophobicContact CH2-CG2 4.49Å |
| 233 | H | 94.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -106.8 | -29.5 | 179 | -67.3 | -53.9 | 0 | 0 | 0 | 112.4 | L140 V222 Q224 N225 | L140-H233 PolarHBondContact O-ND1 3.3Å; V222-H233 HydrophobicContact CG1-CB 3.84Å; Q224-H233 PolarHBondContact O-CD2 3.08Å; N225-H233 PolarHBondContact OD1-N 2.87Å |
| 234 | Y | 94.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -143.7 | 162.8 | 176.6 | 63.5 | -84.8 | 0 | 0 | 0 | 109.4 | R218 V222 Q224 N225 D236 | R218-Y234 HydrophobicContact CB-CD1 4.32Å; R218-Y234 HydrophobicContact CB-CD2 4.31Å; R218-Y234 HydrophobicContact CB-CE1 4.08Å; R218-Y234 HydrophobicContact CB-CE2 4.07Å; R218-Y234 HydrophobicContact CB-CG 4.44Å; R218-Y234 HydrophobicContact CG-CD1 4.03Å; R218-Y234 HydrophobicContact CG-CE1 3.78Å; V222-Y234 HydrophobicContact CG1-CD1 4.04Å; Q224-Y234 PolarHBondContact NE2-OH 3.47Å; N225-Y234 PolarHBondContact ND2-O 3.26Å; N225-Y234 WeakPolarHBondContact OD1-CD1 3.47Å; N225-Y234 PolarHBondContact OD1-N 3.41Å; N225-Y234 PolarHBondContact OD1-O 3.38Å; Y234-D236 HydrophobicContact CD2-CB 4.22Å; Y234-D236 HydrophobicContact CE2-CB 3.71Å; Y234-D236 PolarHBondContact O-N 3.44Å; Y234-D236 PolarHBondContact OH-OD2 3.47Å |
| 235 | R | 95.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | trans | -82.9 | 106.2 | -177.3 | 178.2 | 159.5 | 50.1 | 96.7 | 14 | 111.1 | I139 R213 L214 T215 E216 L237 F250 | I139-R235 HydrophobicContact CD1-CB 4.42Å; R213-R235 PolarHBondContact O-NH1 3.28Å; L214-R235 VanDerWaalsContact C-NH1 3.32Å; L214-R235 PolarHBondContact O-NH1 3.36Å; L214-R235 PolarHBondContact O-NH2 3.47Å; T215-R235 PolarHBondContact OG1-O 3.24Å; E216-R235 HydrophobicContact CB-CB 4.25Å; E216-R235 HydrophobicContact CG-CB 3.93Å; E216-R235 PolarHBondContact N-O 2.78Å; E216-R235 IonicContact OE1-CZ 2.86Å; E216-R235 IonicContact OE1-NE 3.08Å; E216-R235 PolarHBondContact OE1-NE 2.94Å; E216-R235 IonicContact OE1-NH2 2.91Å; E216-R235 PolarHBondContact OE1-NH2 3.45Å; E216-R235 PolarHBondContact OE2-N 2.83Å; R235-L237 HydrophobicContact CG-CD2 3.61Å; R235-L237 HydrophobicContact CG-CG 4.33Å; R235-F250 VanDerWaalsContact CD-CE2 3.43Å; R235-F250 HydrophobicContact CG-CD2 4.31Å; R235-F250 HydrophobicContact CG-CE2 4.21Å; R235-F250 HydrophobicContact CG-CZ 4.37Å | ||
| 236 | D | 95.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 58.4 Ų | 58.4 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | trans | -114.3 | 92.5 | -179.9 | -170.5 | -42 | 0 | 0 | 0 | 108.4 | N225 W232 Y234 E238 T239 M240 | N225-D236 WeakPolarHBondContact ND2-CB 3.47Å; W232-D236 HydrophobicContact CZ3-CB 4.46Å; Y234-D236 HydrophobicContact CD2-CB 4.22Å; Y234-D236 HydrophobicContact CE2-CB 3.71Å; Y234-D236 PolarHBondContact O-N 3.44Å; Y234-D236 PolarHBondContact OH-OD2 3.47Å; D236-E238 VanDerWaalsContact C-N 3.31Å; D236-E238 PolarHBondContact O-N 3.46Å; D236-T239 PolarHBondContact O-N 3.4Å; D236-T239 WeakPolarHBondContact OD1-CB 3.5Å; D236-T239 PolarHBondContact OD1-N 2.88Å; D236-T239 PolarHBondContact OD1-OG1 3.48Å; D236-T239 PolarHBondContact OD2-OG1 2.99Å; D236-M240 VanDerWaalsContact O-CB 3.32Å; D236-M240 WeakPolarHBondContact O-CB 3.08Å; D236-M240 WeakPolarHBondContact O-CG 3.38Å; D236-M240 PolarHBondContact O-N 3.43Å | ||
| 237 | L | 94.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -34.3 | -170.6 | -60.6 | -172.4 | 0 | 0 | 0 | 112.6 | L181 T215 R235 A241 Q248 F250 | L181-L237 HydrophobicContact CD1-CD2 4.15Å; T215-L237 PolarHBondContact OG1-N 3.32Å; R235-L237 HydrophobicContact CG-CD2 3.61Å; R235-L237 HydrophobicContact CG-CG 4.33Å; L237-A241 WeakPolarHBondContact O-CB 3.29Å; L237-A241 PolarHBondContact O-N 2.86Å; L237-Q248 HydrophobicContact CB-CB 4.41Å; L237-F250 HydrophobicContact CD1-CB 3.81Å; L237-F250 HydrophobicContact CD2-CB 3.41Å; L237-F250 VanDerWaalsContact CD2-CB 3.41Å; L237-F250 HydrophobicContact CD2-CD2 3.7Å; L237-F250 HydrophobicContact CD2-CG 3.77Å; L237-F250 HydrophobicContact CG-CB 4.27Å |
| 238 | E | 94.6 | Very high | 95.2 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 177.9 | -174.7 | -174 | 166.2 | 0 | 0 | 110.8 | D236 R242 | D236-E238 VanDerWaalsContact C-N 3.31Å; D236-E238 PolarHBondContact O-N 3.46Å; E238-R242 WeakPolarHBondContact O-CB 3.41Å; E238-R242 PolarHBondContact O-N 3.21Å; E238-R242 IonicContact OE1-NH2 3.18Å; E238-R242 PolarHBondContact OE1-NH2 3.44Å |
| 239 | T | 95.8 | Very high | 95.2 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 27% | 0.27 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | -179.3 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | V227 W232 D236 R242 V243 | V227-T239 HydrophobicContact CG2-CG2 3.83Å; W232-T239 HydrophobicContact CH2-CG2 3.81Å; W232-T239 HydrophobicContact CZ3-CG2 3.96Å; D236-T239 PolarHBondContact O-N 3.4Å; D236-T239 WeakPolarHBondContact OD1-CB 3.5Å; D236-T239 PolarHBondContact OD1-N 2.88Å; D236-T239 PolarHBondContact OD1-OG1 3.48Å; D236-T239 PolarHBondContact OD2-OG1 2.99Å; T239-R242 PolarHBondContact O-N 3.41Å; T239-V243 VanDerWaalsContact O-CG2 3.3Å; T239-V243 WeakPolarHBondContact O-CG2 3.28Å; T239-V243 PolarHBondContact O-N 2.95Å |
| 240 | M | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 177.6 | -71.2 | 176.2 | 174.6 | 0 | 0 | 111.6 | M137 I139 L181 W232 D236 R242 V243 T244 | M137-M240 HydrophobicContact CE-CB 4.02Å; M137-M240 HydrophobicContact CE-CG 4.2Å; M137-M240 HydrophobicContact SD-CB 3.98Å; M137-M240 HydrophobicContact SD-CG 3.79Å; I139-M240 HydrophobicContact CD1-CE 4.03Å; I139-M240 HydrophobicContact CG1-CE 4.09Å; L181-M240 HydrophobicContact CD1-CB 3.49Å; L181-M240 VanDerWaalsContact CD1-CB 3.49Å; L181-M240 HydrophobicContact CD1-SD 4.43Å; W232-M240 HydrophobicContact CB-CE 4.07Å; W232-M240 HydrophobicContact CD2-CE 3.61Å; W232-M240 HydrophobicContact CD2-CG 4.29Å; W232-M240 HydrophobicContact CE3-CE 3.35Å; W232-M240 HydrophobicContact CE3-CG 3.77Å; W232-M240 HydrophobicContact CE3-SD 4.45Å; W232-M240 HydrophobicContact CG-CE 3.92Å; W232-M240 HydrophobicContact CH2-CB 4.28Å; W232-M240 HydrophobicContact CH2-CG 3.55Å; W232-M240 HydrophobicContact CZ2-CG 4.09Å; W232-M240 HydrophobicContact CZ3-CB 4.43Å; W232-M240 HydrophobicContact CZ3-CE 3.99Å; W232-M240 HydrophobicContact CZ3-CG 3.38Å; D236-M240 VanDerWaalsContact O-CB 3.32Å; D236-M240 WeakPolarHBondContact O-CB 3.08Å; D236-M240 WeakPolarHBondContact O-CG 3.38Å; D236-M240 PolarHBondContact O-N 3.43Å; M240-R242 VanDerWaalsContact C-N 3.32Å; M240-R242 PolarHBondContact O-N 2.87Å; M240-V243 PolarHBondContact O-N 3.24Å; M240-T244 PolarHBondContact O-N 3.49Å; M240-T244 VanDerWaalsContact O-N 3.1Å; M240-T244 PolarHBondContact O-OG1 3.44Å; M240-T244 VanDerWaalsContact O-OG1 3.08Å |
| 241 | A | 95.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L237 V243 T244 G245 A246 Q248 | L237-A241 WeakPolarHBondContact O-CB 3.29Å; L237-A241 PolarHBondContact O-N 2.86Å; A241-V243 VanDerWaalsContact C-N 3.29Å; A241-V243 PolarHBondContact O-N 3.25Å; A241-T244 PolarHBondContact O-N 3.38Å; A241-G245 WeakPolarHBondContact O-CA 3.49Å; A241-G245 PolarHBondContact O-N 3.29Å; A241-A246 WeakPolarHBondContact CA-O 3.36Å; A241-A246 WeakPolarHBondContact CB-O 3.27Å; A241-A246 PolarHBondContact O-N 2.83Å; A241-Q248 HydrophobicContact CB-CG 3.89Å |
| 242 | R | 96.1 | Very high | 95.2 | Very high | 192 Ų | 192 | 40.2 Ų | 40.2 | 73% | 0.725 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.3 | -36.3 | 178.8 | -171.9 | 180 | -64 | 173.7 | 5.8 | 112.8 | E238 T239 M240 | E238-R242 WeakPolarHBondContact O-CB 3.41Å; E238-R242 PolarHBondContact O-N 3.21Å; E238-R242 IonicContact OE1-NH2 3.18Å; E238-R242 PolarHBondContact OE1-NH2 3.44Å; T239-R242 PolarHBondContact O-N 3.41Å; M240-R242 VanDerWaalsContact C-N 3.32Å; M240-R242 PolarHBondContact O-N 2.87Å |
| 243 | V | 95.5 | Very high | 95.2 | Very high | 69 Ų | 69 | 40.3 Ų | 40.3 | 42% | 0.418 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73.2 | -37.9 | 179.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | V227 W232 T239 M240 A241 | V227-V243 HydrophobicContact CG1-CG2 3.53Å; W232-V243 HydrophobicContact CH2-CG2 4.49Å; T239-V243 VanDerWaalsContact O-CG2 3.3Å; T239-V243 WeakPolarHBondContact O-CG2 3.28Å; T239-V243 PolarHBondContact O-N 2.95Å; M240-V243 PolarHBondContact O-N 3.24Å; A241-V243 VanDerWaalsContact C-N 3.29Å; A241-V243 PolarHBondContact O-N 3.25Å |
| 244 | T | 95.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -100.3 | -11 | -171.5 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | Q135 M137 P170 L181 M240 A241 A246 | Q135-T244 HydrophobicContact CB-CG2 4.34Å; M137-T244 HydrophobicContact CE-CG2 3.55Å; M137-T244 HydrophobicContact SD-CG2 4.01Å; P170-T244 HydrophobicContact CG-CG2 3.63Å; L181-T244 HydrophobicContact CD2-CG2 4.48Å; M240-T244 PolarHBondContact O-N 3.49Å; M240-T244 VanDerWaalsContact O-N 3.1Å; M240-T244 PolarHBondContact O-OG1 3.44Å; M240-T244 VanDerWaalsContact O-OG1 3.08Å; A241-T244 PolarHBondContact O-N 3.38Å; T244-A246 PolarHBondContact O-N 3.13Å; T244-A246 VanDerWaalsContact OG1-CB 3.27Å; T244-A246 WeakPolarHBondContact OG1-CB 3.29Å; T244-A246 PolarHBondContact OG1-N 3.14Å |
| 245 | G | 95.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 12.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A241 | A241-G245 WeakPolarHBondContact O-CA 3.49Å; A241-G245 PolarHBondContact O-N 3.29Å |
| 246 | A | 95.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | -79.2 | 158.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T179 L181 A241 T244 | T179-A246 HydrophobicContact CG2-CB 3.88Å; T179-A246 CarbonylContact O-C 3.56Å; T179-A246 WeakPolarHBondContact O-CA 3.32Å; T179-A246 WeakPolarHBondContact O-CB 3.45Å; L181-A246 HydrophobicContact CD2-CB 3.91Å; L181-A246 HydrophobicContact CG-CB 4.05Å; A241-A246 WeakPolarHBondContact CA-O 3.36Å; A241-A246 WeakPolarHBondContact CB-O 3.27Å; A241-A246 PolarHBondContact O-N 2.83Å; T244-A246 PolarHBondContact O-N 3.13Å; T244-A246 VanDerWaalsContact OG1-CB 3.27Å; T244-A246 WeakPolarHBondContact OG1-CB 3.29Å; T244-A246 PolarHBondContact OG1-N 3.14Å | ||
| 247 | E | 93.9 | Very high | 94.5 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | trans | -68.2 | 157.9 | 166.9 | -69.4 | -61 | 157.9 | 0 | 0 | 111.1 | I178 T179 I249 | I178-E247 HydrophobicContact CB-CG 4.22Å; I178-E247 HydrophobicContact CD1-CG 4.32Å; T179-E247 PolarHBondContact O-N 3.35Å; E247-I249 HydrophobicContact CB-CD1 4.27Å; E247-I249 HydrophobicContact CB-CG1 3.99Å; E247-I249 PolarHBondContact O-N 3.23Å | ||
| 248 | Q | 93.8 | Very high | 94.4 | Very high | 113 Ų | 113 | 50 Ų | 50 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -74.4 | 39.3 | 178.1 | -60.6 | -175.5 | 16.3 | 0 | 0 | 112.9 | L237 A241 | L237-Q248 HydrophobicContact CB-CB 4.41Å; A241-Q248 HydrophobicContact CB-CG 3.89Å |
| 249 | I | 93.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | trans | -107.9 | 128.4 | 179.8 | -54.8 | -173 | 0 | 0 | 0 | 107.6 | L110 L117 I178 I180 L181 E247 | L110-I249 HydrophobicContact CD1-CG2 3.98Å; L110-I249 HydrophobicContact CD2-CD1 4.47Å; L110-I249 HydrophobicContact CD2-CG2 4.03Å; L117-I249 HydrophobicContact CD1-CG2 4.37Å; L117-I249 HydrophobicContact CD2-CB 4.08Å; L117-I249 HydrophobicContact CD2-CD1 4.35Å; L117-I249 HydrophobicContact CD2-CG1 3.72Å; L117-I249 HydrophobicContact CD2-CG2 3.9Å; I178-I249 HydrophobicContact CD1-CD1 3.94Å; I180-I249 HydrophobicContact CB-CB 4.06Å; I180-I249 HydrophobicContact CB-CG2 4.22Å; I180-I249 HydrophobicContact CG2-CB 3.77Å; I180-I249 HydrophobicContact CG2-CD1 4.14Å; I180-I249 HydrophobicContact CG2-CG1 4.39Å; I180-I249 HydrophobicContact CG2-CG2 3.96Å; L181-I249 WeakPolarHBondContact CB-O 3.25Å; L181-I249 PolarHBondContact N-O 3.48Å; E247-I249 HydrophobicContact CB-CD1 4.27Å; E247-I249 HydrophobicContact CB-CG1 3.99Å; E247-I249 PolarHBondContact O-N 3.23Å | ||
| 250 | F | 95.2 | Very high | 94 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.9 | -178.8 | -178.2 | -78.7 | 0 | 0 | 0 | 112.9 | V168 L181 N183 R213 R235 L237 D252 | V168-F250 HydrophobicContact CG1-CD2 4.41Å; V168-F250 HydrophobicContact CG1-CE2 3.87Å; V168-F250 HydrophobicContact CG2-CE2 3.92Å; V168-F250 HydrophobicContact CG2-CZ 4.4Å; L181-F250 HydrophobicContact CB-CB 4.41Å; L181-F250 HydrophobicContact CB-CD2 3.76Å; L181-F250 HydrophobicContact CB-CG 4.49Å; L181-F250 VanDerWaalsContact O-CA 3.24Å; L181-F250 WeakPolarHBondContact O-CA 3.3Å; N183-F250 HydrophobicContact CB-CE1 4.01Å; N183-F250 HydrophobicContact CB-CE2 4.01Å; N183-F250 HydrophobicContact CB-CZ 3.34Å; R213-F250 HydrophobicContact CB-CD1 4.01Å; R213-F250 HydrophobicContact CB-CE1 4.32Å; R213-F250 PolarHBondContact N-O 2.96Å; R235-F250 VanDerWaalsContact CD-CE2 3.43Å; R235-F250 HydrophobicContact CG-CD2 4.31Å; R235-F250 HydrophobicContact CG-CE2 4.21Å; R235-F250 HydrophobicContact CG-CZ 4.37Å; L237-F250 HydrophobicContact CD1-CB 3.81Å; L237-F250 HydrophobicContact CD2-CB 3.41Å; L237-F250 VanDerWaalsContact CD2-CB 3.41Å; L237-F250 HydrophobicContact CD2-CD2 3.7Å; L237-F250 HydrophobicContact CD2-CG 3.77Å; L237-F250 HydrophobicContact CG-CB 4.27Å; F250-D252 VanDerWaalsContact CE1-OD1 3.26Å; F250-D252 WeakPolarHBondContact CE1-OD1 3.43Å |
| 251 | I | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129 | -179 | -57.8 | 174.9 | 0 | 0 | 0 | 109.8 | L110 V125 V127 I180 L181 V182 N183 G210 V211 | L110-I251 HydrophobicContact CD1-CD1 4.37Å; L110-I251 HydrophobicContact CD2-CD1 4.44Å; V125-I251 HydrophobicContact CG2-CD1 3.54Å; V125-I251 HydrophobicContact CG2-CG1 4.02Å; V125-I251 HydrophobicContact CG2-CG2 4.29Å; V127-I251 HydrophobicContact CG1-CD1 4.34Å; V127-I251 HydrophobicContact CG2-CD1 4.41Å; I180-I251 HydrophobicContact CD1-CD1 3.48Å; I180-I251 VanDerWaalsContact CD1-CD1 3.48Å; I180-I251 HydrophobicContact CD1-CG1 4.26Å; L181-I251 PolarHBondContact O-N 3.02Å; V182-I251 CarbonylContact C-O 3.54Å; V182-I251 WeakPolarHBondContact CA-O 3.32Å; N183-I251 PolarHBondContact N-O 3.34Å; G210-I251 VanDerWaalsContact C-CG2 3.45Å; V211-I251 WeakPolarHBondContact O-CA 3.27Å |
| 252 | D | 95.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 115.6 | 165.3 | -81.4 | -28.7 | 0 | 0 | 0 | 108.9 | N183 G210 V211 R213 F250 D254 T268 | N183-D252 WeakPolarHBondContact CB-OD1 3.47Å; N183-D252 PolarHBondContact ND2-OD1 3.32Å; G210-D252 CarbonylContact C-O 3.54Å; G210-D252 WeakPolarHBondContact CA-O 3.4Å; V211-D252 PolarHBondContact N-O 2.9Å; V211-D252 PolarHBondContact O-N 3.49Å; R213-D252 HydrophobicContact CG-CB 4.47Å; R213-D252 WeakPolarHBondContact CG-OD2 3.24Å; R213-D252 IonicContact NH1-OD2 3.94Å; F250-D252 VanDerWaalsContact CE1-OD1 3.26Å; F250-D252 WeakPolarHBondContact CE1-OD1 3.43Å; D252-D254 PolarHBondContact O-N 2.9Å; D252-T268 VanDerWaalsContact CB-OG1 3.24Å; D252-T268 WeakPolarHBondContact CB-OG1 3.46Å; D252-T268 PolarHBondContact OD2-OG1 2.88Å |
| 253 | A | 95.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 137.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V182 N183 L208 G266 | V182-A253 HydrophobicContact CG1-CB 4.38Å; N183-A253 WeakPolarHBondContact O-CB 3.4Å; N183-A253 PolarHBondContact O-N 3.44Å; L208-A253 HydrophobicContact CD1-CB 3.78Å; A253-G266 PolarHBondContact O-N 2.99Å |
| 254 | D | 93.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | trans | -70.2 | 159 | 174.8 | -165.3 | 12.8 | 0 | 0 | 0 | 110.7 | R124 V209 D252 A256 S257 | R124-D254 IonicContact CZ-OD2 3.62Å; R124-D254 IonicContact NH1-OD2 2.8Å; R124-D254 PolarHBondContact NH1-OD2 2.9Å; R124-D254 IonicContact NH2-OD2 3.72Å; R124-D254 PolarHBondContact NH2-OD2 3.11Å; V209-D254 HydrophobicContact CG1-CB 4.44Å; V209-D254 WeakPolarHBondContact O-CB 3.12Å; V209-D254 PolarHBondContact O-N 3.32Å; D252-D254 PolarHBondContact O-N 2.9Å; D254-A256 PolarHBondContact O-N 3.42Å; D254-S257 PolarHBondContact O-N 2.93Å | ||
| 255 | L | 91.1 | Very high | 93.1 | Very high | 108 Ų | 108 | 42.9 Ų | 42.9 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -58.9 | -37.2 | 177.9 | -176.7 | 63.5 | 0 | 0 | 0 | 111.3 | S257 T258 I264 | L255-S257 PolarHBondContact O-N 3.44Å; L255-T258 WeakPolarHBondContact O-CB 3.44Å; L255-T258 PolarHBondContact O-N 3.13Å; L255-T258 VanDerWaalsContact O-N 3.1Å; L255-T258 PolarHBondContact O-OG1 3.33Å; L255-I264 HydrophobicContact CD1-CG2 4.1Å |
| 256 | A | 90.4 | Very high | 92.8 | Very high | 91 Ų | 91 | 40.9 Ų | 40.9 | 75% | 0.752 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -65.3 | -24 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D254 T258 | D254-A256 PolarHBondContact O-N 3.42Å; A256-T258 VanDerWaalsContact C-N 3.27Å |
| 257 | S | 91.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -89.9 | 11.8 | 175.5 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | V209 D254 L255 I259 | V209-S257 PolarHBondContact N-OG 2.91Å; V209-S257 PolarHBondContact O-OG 3.46Å; D254-S257 PolarHBondContact O-N 2.93Å; L255-S257 PolarHBondContact O-N 3.44Å; S257-I259 PolarHBondContact O-N 3.41Å |
| 258 | T | 92.6 | Very high | 92.1 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 124 | 175.2 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | L255 A256 G265 | L255-T258 WeakPolarHBondContact O-CB 3.44Å; L255-T258 PolarHBondContact O-N 3.13Å; L255-T258 VanDerWaalsContact O-N 3.1Å; L255-T258 PolarHBondContact O-OG1 3.33Å; A256-T258 VanDerWaalsContact C-N 3.27Å; T258-G265 PolarHBondContact OG1-N 3.14Å |
| 259 | I | 91.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 125.7 | 174.4 | -62 | 156.3 | 0 | 0 | 0 | 109.1 | Y131 V202 S257 G261 G262 | Y131-I259 HydrophobicContact CE2-CD1 4.01Å; V202-I259 HydrophobicContact CG1-CD1 4.43Å; V202-I259 HydrophobicContact CG1-CG2 3.82Å; V202-I259 HydrophobicContact CG2-CD1 3.44Å; V202-I259 VanDerWaalsContact CG2-CD1 3.44Å; V202-I259 HydrophobicContact CG2-CG1 4.4Å; S257-I259 PolarHBondContact O-N 3.41Å; I259-G261 PolarHBondContact O-N 3.38Å; I259-G262 PolarHBondContact O-N 3.07Å |
| 260 | P | 90.3 | Very high | 90.1 | Very high | 110 Ų | 110 | 39.6 Ų | 39.6 | 71% | 0.714 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 126.5 | 178.8 | -27.9 | 35.8 | 0 | 0 | 0 | 113.1 | G262 | P260-G262 VanDerWaalsContact C-N 3.27Å; P260-G262 PolarHBondContact O-N 3.49Å |
| 261 | G | 88.6 | Confident | 88.6 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | I259 | I259-G261 PolarHBondContact O-N 3.38Š|
| 262 | G | 91.3 | Very high | 87.1 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -97.1 | -166 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I259 P260 | I259-G262 PolarHBondContact O-N 3.07Å; P260-G262 VanDerWaalsContact C-N 3.27Å; P260-G262 PolarHBondContact O-N 3.49Å |
| 263 | P | 94.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | trans | -59.1 | 143.5 | 170.9 | -21.1 | 33.7 | 0 | 0 | 0 | 112.3 | V167 R184 Y186 V187 | V167-P263 HydrophobicContact CB-CB 4.34Å; V167-P263 HydrophobicContact CB-CG 3.88Å; V167-P263 HydrophobicContact CG1-CG 4.38Å; V167-P263 HydrophobicContact CG2-CB 4.34Å; V167-P263 HydrophobicContact CG2-CG 3.88Å; R184-P263 HydrophobicContact CB-CB 3.96Å; R184-P263 HydrophobicContact CB-CG 4.02Å; Y186-P263 WeakPolarHBondContact O-CA 3.42Å; V187-P263 HydrophobicContact CG1-CB 3.75Å; V187-P263 HydrophobicContact CG1-CG 3.77Å | ||
| 264 | I | 93.8 | Very high | 84.5 | Confident | 79 Ų | 79 | 54 Ų | 54 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 112.8 | -177.3 | -56.4 | 171.6 | 0 | 0 | 0 | 109.4 | G185 Y186 L255 Q267 | G185-I264 CarbonylContact C-O 3.46Å; G185-I264 WeakPolarHBondContact CA-O 3.36Å; Y186-I264 PolarHBondContact N-O 2.92Å; Y186-I264 PolarHBondContact O-N 2.95Å; L255-I264 HydrophobicContact CD1-CG2 4.1Å; I264-Q267 VanDerWaalsContact O-CG 3.26Å; I264-Q267 WeakPolarHBondContact O-CG 3.25Å; I264-Q267 PolarHBondContact O-NE2 3.18Å; I264-Q267 VanDerWaalsContact O-NE2 3.15Å |
| 265 | G | 92.7 | Very high | 83.7 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | trans | -65.5 | -173.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R184 T258 Q267 | R184-G265 PolarHBondContact O-N 3.45Å; T258-G265 PolarHBondContact OG1-N 3.14Å; G265-Q267 VanDerWaalsContact C-N 3.35Å; G265-Q267 PolarHBondContact O-N 2.94Å; G265-Q267 PolarHBondContact O-NE2 3.47Å | ||
| 266 | G | 89.9 | Confident | 83.2 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 26% | 0.258 | 29% | 0.288 | S | S | . | . | trans | 72.1 | 25.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A253 T268 | A253-G266 PolarHBondContact O-N 2.99Å; G266-T268 PolarHBondContact O-N 3.47Å | ||
| 267 | Q | 87.8 | Confident | 82.9 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | trans | -82.1 | 8 | -175.8 | -58 | -56 | -59.2 | 0 | 0 | 114.2 | I264 G265 R269 | I264-Q267 VanDerWaalsContact O-CG 3.26Å; I264-Q267 WeakPolarHBondContact O-CG 3.25Å; I264-Q267 PolarHBondContact O-NE2 3.18Å; I264-Q267 VanDerWaalsContact O-NE2 3.15Å; G265-Q267 VanDerWaalsContact C-N 3.35Å; G265-Q267 PolarHBondContact O-N 2.94Å; G265-Q267 PolarHBondContact O-NE2 3.47Å; Q267-R269 PolarHBondContact O-N 3.02Å; Q267-R269 VanDerWaalsContact O-N 3.15Å | ||
| 268 | T | 84.7 | Confident | 82.6 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | trans | -71.9 | 103.9 | 173.5 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | Y122 V211 D252 G266 V270 | Y122-T268 HydrophobicContact CD1-CG2 4.27Å; Y122-T268 HydrophobicContact CE1-CG2 4.34Å; V211-T268 HydrophobicContact CG1-CG2 4.41Å; D252-T268 VanDerWaalsContact CB-OG1 3.24Å; D252-T268 WeakPolarHBondContact CB-OG1 3.46Å; D252-T268 PolarHBondContact OD2-OG1 2.88Å; G266-T268 PolarHBondContact O-N 3.47Å; T268-V270 HydrophobicContact CG2-CG2 4.07Å; T268-V270 PolarHBondContact O-N 3.46Å; T268-V270 VanDerWaalsContact O-N 3.12Å | ||
| 269 | R | 76.5 | Confident | 82.3 | Confident | 155 Ų | 155 | 58.1 Ų | 58.1 | 59% | 0.585 | 30% | 0.3 | S | S | * | . | trans | -74.6 | 102.8 | 178.3 | -163.8 | -176.9 | -158.6 | -173.7 | 11 | 111.7 | V145 E150 Q267 | V145-R269 HydrophobicContact CG2-CB 4.25Å; E150-R269 IonicContact OE1-CZ 3.94Å; E150-R269 IonicContact OE1-NE 3.65Å; E150-R269 PolarHBondContact OE1-NE 3.47Å; E150-R269 IonicContact OE1-NH2 3.7Å; E150-R269 PolarHBondContact OE1-NH2 3.14Å; E150-R269 IonicContact OE2-NE 3.98Å; Q267-R269 PolarHBondContact O-N 3.02Å; Q267-R269 VanDerWaalsContact O-N 3.15Å | ||
| 270 | V | 70.2 | Confident | 82.3 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | trans | -98.2 | -7.2 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 112.1 | L99 R100 T103 T268 | L99-V270 HydrophobicContact CB-CG1 3.69Å; R100-V270 HydrophobicContact CG-CG1 4.01Å; T103-V270 HydrophobicContact CG2-CG2 4.23Å; T268-V270 HydrophobicContact CG2-CG2 4.07Å; T268-V270 PolarHBondContact O-N 3.46Å; T268-V270 VanDerWaalsContact O-N 3.12Å | ||
| 271 | T | 63.8 | Low | 82.4 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | trans | -82.5 | 138.7 | 178.9 | 61 | 0 | 0 | 0 | 0 | 110.5 | E150 | E150-T271 PolarHBondContact OE2-OG1 3.48Š| ||
| 272 | L | 63.8 | Low | 82.6 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 41% | 0.414 | 29% | 0.292 | S | S | . | . | trans | -123.2 | 126.7 | 170.3 | -67.6 | 153.2 | 0 | 0 | 0 | 108.9 | K92 I96 N274 | K92-L272 HydrophobicContact CD-CB 4.45Å; K92-L272 HydrophobicContact CG-CD1 4.16Å; I96-L272 HydrophobicContact CD1-CB 4.09Å; I96-L272 HydrophobicContact CD1-CD1 4.18Å; I96-L272 HydrophobicContact CG1-CB 4.47Å; I96-L272 HydrophobicContact CG1-CD1 3.75Å; I96-L272 HydrophobicContact CG1-CG 4.47Å; L272-N274 PolarHBondContact O-N 3.35Å | ||
| 273 | R | 66.2 | Low | 82.8 | Confident | 130 Ų | 130 | 62 Ų | 62 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | trans | -51.3 | 126.8 | 178.1 | -179.7 | 165.8 | 163.5 | 172.1 | -9.7 | 111.9 | K92 G155 Q156 E275 | K92-R273 PolarHBondContact NZ-O 3.25Å; G155-R273 PolarHBondContact O-NH2 2.98Å; Q156-R273 PolarHBondContact O-NH1 3.1Å; R273-E275 HydrophobicContact CG-CG 4.18Å; R273-E275 WeakPolarHBondContact CG-OE1 3.34Å; R273-E275 IonicContact CZ-OE1 3.46Å; R273-E275 IonicContact NE-OE1 3.25Å; R273-E275 PolarHBondContact NE-OE1 3.42Å; R273-E275 IonicContact NH2-OE1 3.8Å | ||
| 274 | N | 69.5 | Low | 82.9 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 34% | 0.342 | 31% | 0.311 | S | S | . | . | trans | -119.7 | 80.5 | -170.5 | -171.2 | 10 | 0 | 0 | 0 | 112.8 | L272 H276 | L272-N274 PolarHBondContact O-N 3.35Å; N274-H276 VanDerWaalsContact C-N 3.3Å; N274-H276 PolarHBondContact OD1-CD2 2.96Å; N274-H276 PolarHBondContact OD1-N 3.48Å | ||
| 275 | E | 76.8 | Confident | 82.9 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | trans | -87.6 | 1.3 | 175 | -52.3 | -52.6 | 152.8 | 0 | 0 | 113.3 | G155 R273 M277 Q278 Y279 | G155-E275 WeakPolarHBondContact CA-OE1 3.26Å; G155-E275 PolarHBondContact N-OE1 3.37Å; R273-E275 HydrophobicContact CG-CG 4.18Å; R273-E275 WeakPolarHBondContact CG-OE1 3.34Å; R273-E275 IonicContact CZ-OE1 3.46Å; R273-E275 IonicContact NE-OE1 3.25Å; R273-E275 PolarHBondContact NE-OE1 3.42Å; R273-E275 IonicContact NH2-OE1 3.8Å; E275-M277 PolarHBondContact O-N 2.87Å; E275-M277 VanDerWaalsContact O-N 3.14Å; E275-Q278 PolarHBondContact O-N 3.13Å; E275-Q278 VanDerWaalsContact O-N 3.13Å; E275-Y279 HydrophobicContact CB-CD2 3.88Å; E275-Y279 HydrophobicContact CB-CE2 3.61Å; E275-Y279 HydrophobicContact CG-CE2 4.49Å; E275-Y279 VanDerWaalsContact O-CD2 3.25Å; E275-Y279 WeakPolarHBondContact O-CD2 3.21Å; E275-Y279 PolarHBondContact O-N 3.29Å | ||
| 276 | H | 80.9 | Confident | 83 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -31.2 | -167.8 | -69.7 | -73.8 | 0 | 0 | 0 | 112.3 | Q85 R89 N274 Y279 I280 | Q85-H276 PolarHBondContact OE1-ND1 3.27Å; R89-H276 HydrophobicContact CB-CB 3.68Å; R89-H276 HydrophobicContact CG-CB 3.85Å; N274-H276 VanDerWaalsContact C-N 3.3Å; N274-H276 PolarHBondContact OD1-CD2 2.96Å; N274-H276 PolarHBondContact OD1-N 3.48Å; H276-Y279 PolarHBondContact O-N 3.34Å; H276-I280 WeakPolarHBondContact O-CB 3.28Å; H276-I280 VanDerWaalsContact O-CD1 3.29Å; H276-I280 WeakPolarHBondContact O-CD1 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.12Å; H276-I280 PolarHBondContact O-N 3.29Å |
| 277 | M | 83.6 | Confident | 83.3 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 177.8 | -168.9 | 62.9 | 77.3 | 0 | 0 | 112.2 | E275 Y279 I280 M281 | E275-M277 PolarHBondContact O-N 2.87Å; E275-M277 VanDerWaalsContact O-N 3.14Å; M277-Y279 PolarHBondContact O-N 3.01Å; M277-I280 PolarHBondContact O-N 2.69Å; M277-M281 HydrophobicContact CG-CE 4.43Å; M277-M281 WeakPolarHBondContact O-CG 3.18Å; M277-M281 PolarHBondContact O-N 2.67Å |
| 278 | Q | 85.9 | Confident | 83.7 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 176.7 | -175.8 | -179.9 | -0.6 | 0 | 0 | 110.5 | E275 I280 M281 T282 | E275-Q278 PolarHBondContact O-N 3.13Å; E275-Q278 VanDerWaalsContact O-N 3.13Å; Q278-I280 PolarHBondContact O-N 2.92Å; Q278-M281 PolarHBondContact O-N 2.94Å; Q278-T282 PolarHBondContact O-N 3.2Å; Q278-T282 PolarHBondContact O-OG1 2.92Å; Q278-T282 VanDerWaalsContact O-OG1 3.07Å |
| 279 | Y | 86.9 | Confident | 84.2 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 45% | 0.447 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 177.1 | -71.4 | -64.7 | 0 | 0 | 0 | 112.8 | E275 H276 M277 M281 T282 W283 | E275-Y279 HydrophobicContact CB-CD2 3.88Å; E275-Y279 HydrophobicContact CB-CE2 3.61Å; E275-Y279 HydrophobicContact CG-CE2 4.49Å; E275-Y279 VanDerWaalsContact O-CD2 3.25Å; E275-Y279 WeakPolarHBondContact O-CD2 3.21Å; E275-Y279 PolarHBondContact O-N 3.29Å; H276-Y279 PolarHBondContact O-N 3.34Å; M277-Y279 PolarHBondContact O-N 3.01Å; Y279-M281 VanDerWaalsContact C-N 3.31Å; Y279-M281 PolarHBondContact O-N 2.85Å; Y279-T282 PolarHBondContact O-N 3.19Å; Y279-W283 PolarHBondContact O-N 2.93Å |
| 280 | I | 91 | Very high | 85 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.6 | -47.9 | 175.3 | -72.7 | 160.2 | 0 | 0 | 0 | 110 | Q85 V86 H276 M277 Q278 T282 W283 Y284 | Q85-I280 HydrophobicContact CB-CD1 4.48Å; Q85-I280 HydrophobicContact CB-CG1 3.64Å; V86-I280 HydrophobicContact CB-CD1 4.46Å; V86-I280 HydrophobicContact CG2-CD1 3.81Å; V86-I280 HydrophobicContact CG2-CG1 3.92Å; V86-I280 HydrophobicContact CG2-CG2 4.15Å; H276-I280 WeakPolarHBondContact O-CB 3.28Å; H276-I280 VanDerWaalsContact O-CD1 3.29Å; H276-I280 WeakPolarHBondContact O-CD1 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.12Å; H276-I280 PolarHBondContact O-N 3.29Å; M277-I280 PolarHBondContact O-N 2.69Å; Q278-I280 PolarHBondContact O-N 2.92Å; I280-T282 PolarHBondContact O-N 3.37Å; I280-W283 PolarHBondContact O-N 3.49Å; I280-Y284 HydrophobicContact CG2-CD2 3.63Å; I280-Y284 HydrophobicContact CG2-CE2 3.73Å; I280-Y284 WeakPolarHBondContact O-CD2 3.47Å; I280-Y284 PolarHBondContact O-N 3.13Å |
| 281 | M | 91.9 | Very high | 86.1 | Confident | 124 Ų | 124 | 66 Ų | 66 | 61% | 0.611 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 176.7 | -69.3 | -173.3 | -68.8 | 0 | 0 | 112 | M277 Q278 Y279 G285 | M277-M281 HydrophobicContact CG-CE 4.43Å; M277-M281 WeakPolarHBondContact O-CG 3.18Å; M277-M281 PolarHBondContact O-N 2.67Å; Q278-M281 PolarHBondContact O-N 2.94Å; Y279-M281 VanDerWaalsContact C-N 3.31Å; Y279-M281 PolarHBondContact O-N 2.85Å; M281-G285 WeakPolarHBondContact O-CA 3.42Å; M281-G285 PolarHBondContact O-N 2.9Å |
| 282 | T | 93.3 | Very high | 87.6 | Confident | 68 Ų | 68 | 71 Ų | 71 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 112 | Q278 Y279 I280 G285 L286 | Q278-T282 PolarHBondContact O-N 3.2Å; Q278-T282 PolarHBondContact O-OG1 2.92Å; Q278-T282 VanDerWaalsContact O-OG1 3.07Å; Y279-T282 PolarHBondContact O-N 3.19Å; I280-T282 PolarHBondContact O-N 3.37Å; T282-G285 PolarHBondContact O-N 3.41Å; T282-L286 HydrophobicContact CG2-CD1 4.13Å; T282-L286 WeakPolarHBondContact O-CB 3.47Å; T282-L286 WeakPolarHBondContact O-CG 3.35Å; T282-L286 PolarHBondContact O-N 2.85Å |
| 283 | W | 95.4 | Very high | 88.9 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 25% | 0.254 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | -176.5 | -70.7 | 117.8 | 0 | 0 | 0 | 112.6 | T78 L81 Y279 I280 L286 C287 | T78-W283 HydrophobicContact CG2-CE3 3.86Å; T78-W283 HydrophobicContact CG2-CZ3 4Å; L81-W283 HydrophobicContact CB-CD2 3.77Å; L81-W283 HydrophobicContact CB-CE3 4.01Å; L81-W283 HydrophobicContact CB-CG 4.06Å; L81-W283 HydrophobicContact CD1-CD2 4.19Å; L81-W283 HydrophobicContact CD1-CE3 3.8Å; L81-W283 HydrophobicContact CD1-CH2 3.52Å; L81-W283 HydrophobicContact CD1-CZ2 3.92Å; L81-W283 HydrophobicContact CD1-CZ3 3.45Å; L81-W283 VanDerWaalsContact CD1-CZ3 3.45Å; Y279-W283 PolarHBondContact O-N 2.93Å; I280-W283 PolarHBondContact O-N 3.49Å; W283-L286 HydrophobicContact CE3-CD1 4.22Å; W283-L286 HydrophobicContact CZ3-CD1 4.27Å; W283-L286 PolarHBondContact O-N 2.89Å; W283-C287 WeakPolarHBondContact O-CB 3.3Å; W283-C287 PolarHBondContact O-N 3.04Å |
| 284 | Y | 95.8 | Very high | 90.1 | Very high | 79 Ų | 79 | 70.1 Ų | 70.1 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.8 | -32.5 | 175.5 | -71.8 | -47 | 0 | 0 | 0 | 112.8 | F79 T83 V86 I280 C287 A288 | F79-Y284 HydrophobicContact CD2-CD1 4.2Å; F79-Y284 AromaticContact CD2-CE1 3.77Å; F79-Y284 HydrophobicContact CD2-CE1 3.77Å; F79-Y284 AromaticContact CE2-CE1 3.9Å; F79-Y284 HydrophobicContact CE2-CE1 3.9Å; T83-Y284 WeakPolarHBondContact CA-OH 3.09Å; T83-Y284 PolarHBondContact N-OH 3.42Å; T83-Y284 PolarHBondContact OG1-OH 2.88Å; V86-Y284 HydrophobicContact CG2-CE2 4.16Å; I280-Y284 HydrophobicContact CG2-CD2 3.63Å; I280-Y284 HydrophobicContact CG2-CE2 3.73Å; I280-Y284 WeakPolarHBondContact O-CD2 3.47Å; I280-Y284 PolarHBondContact O-N 3.13Å; Y284-C287 WeakPolarHBondContact O-CB 3.44Å; Y284-C287 PolarHBondContact O-N 3.17Å; Y284-A288 WeakPolarHBondContact O-CB 3.44Å; Y284-A288 PolarHBondContact O-N 3.49Å |
| 285 | G | 95.1 | Very high | 91.1 | Very high | 40 Ų | 40 | 72.9 Ų | 72.9 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M281 T282 A288 A289 | M281-G285 WeakPolarHBondContact O-CA 3.42Å; M281-G285 PolarHBondContact O-N 2.9Å; T282-G285 PolarHBondContact O-N 3.41Å; G285-A288 PolarHBondContact O-N 2.99Å; G285-A289 WeakPolarHBondContact O-CB 3.49Å; G285-A289 PolarHBondContact O-N 3.04Å |
| 286 | L | 94.6 | Very high | 91.7 | Very high | 79 Ų | 79 | 72.6 Ų | 72.6 | 41% | 0.414 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 173.7 | -73.6 | 173.3 | 0 | 0 | 0 | 111.7 | T78 T282 W283 A289 T290 | T78-L286 HydrophobicContact CG2-CB 4.17Å; T282-L286 HydrophobicContact CG2-CD1 4.13Å; T282-L286 WeakPolarHBondContact O-CB 3.47Å; T282-L286 WeakPolarHBondContact O-CG 3.35Å; T282-L286 PolarHBondContact O-N 2.85Å; W283-L286 HydrophobicContact CE3-CD1 4.22Å; W283-L286 HydrophobicContact CZ3-CD1 4.27Å; W283-L286 PolarHBondContact O-N 2.89Å; L286-A289 PolarHBondContact O-N 3.02Å; L286-T290 WeakPolarHBondContact O-CB 3.23Å; L286-T290 VanDerWaalsContact O-CG2 3.27Å; L286-T290 WeakPolarHBondContact O-CG2 3.3Å; L286-T290 PolarHBondContact O-N 3.5Å; L286-T290 PolarHBondContact O-OG1 2.99Å |
| 287 | C | 95.9 | Very high | 92 | Very high | 16 Ų | 16 | 76.2 Ų | 76.2 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 175 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | T78 W283 Y284 T290 S291 | T78-C287 VanDerWaalsContact OG1-CA 3.3Å; T78-C287 WeakPolarHBondContact OG1-CA 3.49Å; T78-C287 WeakPolarHBondContact OG1-CB 3.44Å; W283-C287 WeakPolarHBondContact O-CB 3.3Å; W283-C287 PolarHBondContact O-N 3.04Å; Y284-C287 WeakPolarHBondContact O-CB 3.44Å; Y284-C287 PolarHBondContact O-N 3.17Å; C287-T290 PolarHBondContact O-OG1 3.48Å; C287-S291 WeakPolarHBondContact O-CB 3.23Å; C287-S291 PolarHBondContact O-N 2.91Å; C287-S291 PolarHBondContact O-OG 2.81Å |
| 288 | A | 95.6 | Very high | 92.1 | Very high | 62 Ų | 62 | 72.6 Ų | 72.6 | 51% | 0.512 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | Y284 G285 S291 Y292 | Y284-A288 WeakPolarHBondContact O-CB 3.44Å; Y284-A288 PolarHBondContact O-N 3.49Å; G285-A288 PolarHBondContact O-N 2.99Å; A288-S291 PolarHBondContact O-N 2.93Å; A288-Y292 WeakPolarHBondContact O-CB 3.44Å; A288-Y292 PolarHBondContact O-N 3.31Å |
| 289 | A | 95 | Very high | 92 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G285 L286 Y292 M293 | G285-A289 WeakPolarHBondContact O-CB 3.49Å; G285-A289 PolarHBondContact O-N 3.04Å; L286-A289 PolarHBondContact O-N 3.02Å; A289-Y292 PolarHBondContact O-N 3.26Å; A289-M293 VanDerWaalsContact O-CG 3.3Å; A289-M293 WeakPolarHBondContact O-CG 3.46Å; A289-M293 PolarHBondContact O-N 3.28Å |
| 290 | T | 93.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.19 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.2 | -35.6 | -179.2 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | I74 L286 C287 M293 W294 | I74-T290 HydrophobicContact CG2-CG2 3.79Å; L286-T290 WeakPolarHBondContact O-CB 3.23Å; L286-T290 VanDerWaalsContact O-CG2 3.27Å; L286-T290 WeakPolarHBondContact O-CG2 3.3Å; L286-T290 PolarHBondContact O-N 3.5Å; L286-T290 PolarHBondContact O-OG1 2.99Å; C287-T290 PolarHBondContact O-OG1 3.48Å; T290-M293 PolarHBondContact O-N 2.88Å; T290-W294 WeakPolarHBondContact O-CB 3.34Å; T290-W294 PolarHBondContact O-N 2.96Å |
| 291 | S | 93.8 | Very high | 90.1 | Very high | 45 Ų | 45 | 80 Ų | 80 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 171.3 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | P75 C287 A288 W294 Y295 | P75-S291 WeakPolarHBondContact CB-OG 3.33Å; C287-S291 WeakPolarHBondContact O-CB 3.23Å; C287-S291 PolarHBondContact O-N 2.91Å; C287-S291 PolarHBondContact O-OG 2.81Å; A288-S291 PolarHBondContact O-N 2.93Å; S291-W294 PolarHBondContact O-N 3.4Å; S291-Y295 WeakPolarHBondContact O-CB 3.4Å; S291-Y295 PolarHBondContact O-N 2.94Å |
| 292 | Y | 94.1 | Very high | 88.4 | Confident | 150 Ų | 150 | 80.2 Ų | 80.2 | 59% | 0.588 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | 176.9 | 176.3 | -98 | 0 | 0 | 0 | 111.8 | A288 A289 W294 Y295 A296 | A288-Y292 WeakPolarHBondContact O-CB 3.44Å; A288-Y292 PolarHBondContact O-N 3.31Å; A289-Y292 PolarHBondContact O-N 3.26Å; Y292-W294 VanDerWaalsContact C-N 3.29Å; Y292-W294 PolarHBondContact O-N 2.91Å; Y292-Y295 PolarHBondContact O-N 3.33Å; Y292-A296 WeakPolarHBondContact O-CB 3.38Å; Y292-A296 PolarHBondContact O-N 2.99Å |
| 293 | M | 91.8 | Very high | 86.1 | Confident | 130 Ų | 130 | 85.2 Ų | 85.2 | 64% | 0.64 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.2 | -42.4 | 176 | -71.9 | 175 | 68.7 | 0 | 0 | 111.7 | A289 T290 K297 | A289-M293 VanDerWaalsContact O-CG 3.3Å; A289-M293 WeakPolarHBondContact O-CG 3.46Å; A289-M293 PolarHBondContact O-N 3.28Å; T290-M293 PolarHBondContact O-N 2.88Å; M293-K297 VanDerWaalsContact O-CB 3.23Å; M293-K297 WeakPolarHBondContact O-CB 3.37Å; M293-K297 PolarHBondContact O-N 3.35Å |
| 294 | W | 92.2 | Very high | 85.7 | Confident | 60 Ų | 60 | 86.2 Ų | 86.2 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 176.5 | -175.5 | 94.6 | 0 | 0 | 0 | 111.6 | K68 L72 T290 S291 Y292 K297 F298 I299 | K68-W294 PolarHBondContact O-NE1 3.47Å; L72-W294 HydrophobicContact CD1-CD2 3.69Å; L72-W294 VanDerWaalsContact CD1-CE2 3.41Å; L72-W294 HydrophobicContact CD1-CE3 3.99Å; L72-W294 HydrophobicContact CD1-CG 4.29Å; L72-W294 HydrophobicContact CD1-CH2 3.88Å; L72-W294 HydrophobicContact CD1-CZ2 3.54Å; L72-W294 HydrophobicContact CD1-CZ3 4.08Å; T290-W294 WeakPolarHBondContact O-CB 3.34Å; T290-W294 PolarHBondContact O-N 2.96Å; S291-W294 PolarHBondContact O-N 3.4Å; Y292-W294 VanDerWaalsContact C-N 3.29Å; Y292-W294 PolarHBondContact O-N 2.91Å; W294-K297 PolarHBondContact O-N 3.44Å; W294-F298 AromaticContact CD1-CD2 3.63Å; W294-F298 AromaticContact CD1-CE2 3.77Å; W294-F298 HydrophobicContact CD2-CD2 4.22Å; W294-F298 AromaticContact CE2-CD2 3.95Å; W294-F298 AromaticContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CE2 4.49Å; W294-F298 AromaticContact NE1-CD2 3.59Å; W294-F298 AromaticContact NE1-CE2 3.86Å; W294-F298 WeakPolarHBondContact O-CD2 3.33Å; W294-F298 PolarHBondContact O-N 2.85Å; W294-I299 HydrophobicContact CH2-CD1 4.31Å; W294-I299 HydrophobicContact CZ3-CD1 3.85Å; W294-I299 HydrophobicContact CZ3-CG1 4.18Å |
| 295 | Y | 90.4 | Very high | 85.1 | Confident | 122 Ų | 122 | 86.5 Ų | 86.5 | 48% | 0.478 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.3 | -48 | 176.7 | 173.9 | -94.4 | 0 | 0 | 0 | 112 | S291 Y292 K297 I299 K300 | S291-Y295 WeakPolarHBondContact O-CB 3.4Å; S291-Y295 PolarHBondContact O-N 2.94Å; Y292-Y295 PolarHBondContact O-N 3.33Å; Y295-K297 VanDerWaalsContact C-N 3.34Å; Y295-K297 PolarHBondContact O-N 3.33Å; Y295-I299 HydrophobicContact CD2-CB 3.8Å; Y295-I299 HydrophobicContact CD2-CD1 3.99Å; Y295-I299 HydrophobicContact CD2-CG1 4.23Å; Y295-I299 HydrophobicContact CD2-CG2 4.04Å; Y295-I299 HydrophobicContact CE2-CB 3.87Å; Y295-I299 HydrophobicContact CE2-CD1 4.32Å; Y295-I299 HydrophobicContact CE2-CG2 3.57Å; Y295-I299 HydrophobicContact CG-CB 4.45Å; Y295-I299 WeakPolarHBondContact O-CA 2.95Å; Y295-I299 WeakPolarHBondContact O-CB 3.24Å; Y295-I299 PolarHBondContact O-N 3.02Å; Y295-K300 HydrophobicContact CE1-CB 4.49Å; Y295-K300 PolarHBondContact O-N 2.83Å |
| 296 | A | 88.9 | Confident | 84.6 | Confident | 31 Ų | 31 | 89.1 Ų | 89.1 | 26% | 0.256 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y292 | Y292-A296 WeakPolarHBondContact O-CB 3.38Å; Y292-A296 PolarHBondContact O-N 2.99Å |
| 297 | K | 87 | Confident | 84 | Confident | 101 Ų | 101 | 89.7 Ų | 89.7 | 44% | 0.439 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.6 | -40.7 | -178.7 | -174.5 | 177.6 | 178.9 | -176.7 | 0 | 112.7 | M293 W294 Y295 | M293-K297 VanDerWaalsContact O-CB 3.23Å; M293-K297 WeakPolarHBondContact O-CB 3.37Å; M293-K297 PolarHBondContact O-N 3.35Å; W294-K297 PolarHBondContact O-N 3.44Å; Y295-K297 VanDerWaalsContact C-N 3.34Å; Y295-K297 PolarHBondContact O-N 3.33Å |
| 298 | F | 85.8 | Confident | 83.2 | Confident | 18 Ų | 18 | 94.3 Ų | 94.3 | 8% | 0.079 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -113 | -22.1 | -167.3 | -63.7 | -61.3 | 0 | 0 | 0 | 115.2 | K68 L71 W294 I302 | K68-F298 HydrophobicContact CB-CE1 4.47Å; K68-F298 HydrophobicContact CB-CE2 4.41Å; K68-F298 HydrophobicContact CB-CZ 4.32Å; K68-F298 HydrophobicContact CD-CD1 3.93Å; K68-F298 HydrophobicContact CD-CE1 4.21Å; K68-F298 HydrophobicContact CD-CG 4.32Å; K68-F298 HydrophobicContact CG-CB 4.33Å; K68-F298 HydrophobicContact CG-CD1 3.33Å; K68-F298 HydrophobicContact CG-CD2 3.9Å; K68-F298 HydrophobicContact CG-CE1 3.31Å; K68-F298 HydrophobicContact CG-CE2 3.89Å; K68-F298 HydrophobicContact CG-CG 3.61Å; K68-F298 HydrophobicContact CG-CZ 3.58Å; L71-F298 HydrophobicContact CB-CE2 4.49Å; L71-F298 HydrophobicContact CD1-CE2 3.82Å; L71-F298 HydrophobicContact CD1-CZ 3.94Å; W294-F298 AromaticContact CD1-CD2 3.63Å; W294-F298 AromaticContact CD1-CE2 3.77Å; W294-F298 HydrophobicContact CD2-CD2 4.22Å; W294-F298 AromaticContact CE2-CD2 3.95Å; W294-F298 AromaticContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CD2 4Å; W294-F298 HydrophobicContact CG-CE2 4.49Å; W294-F298 AromaticContact NE1-CD2 3.59Å; W294-F298 AromaticContact NE1-CE2 3.86Å; W294-F298 WeakPolarHBondContact O-CD2 3.33Å; W294-F298 PolarHBondContact O-N 2.85Å; F298-I302 WeakPolarHBondContact O-CD1 3.4Å; F298-I302 VanDerWaalsContact O-CG1 3.24Å; F298-I302 WeakPolarHBondContact O-CG1 3.41Å |
| 299 | I | 83.2 | Confident | 82.4 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 35% | 0.349 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -49.3 | 179 | -60.1 | -162.9 | 0 | 0 | 0 | 111 | W294 Y295 R301 I302 V303 | W294-I299 HydrophobicContact CH2-CD1 4.31Å; W294-I299 HydrophobicContact CZ3-CD1 3.85Å; W294-I299 HydrophobicContact CZ3-CG1 4.18Å; Y295-I299 HydrophobicContact CD2-CB 3.8Å; Y295-I299 HydrophobicContact CD2-CD1 3.99Å; Y295-I299 HydrophobicContact CD2-CG1 4.23Å; Y295-I299 HydrophobicContact CD2-CG2 4.04Å; Y295-I299 HydrophobicContact CE2-CB 3.87Å; Y295-I299 HydrophobicContact CE2-CD1 4.32Å; Y295-I299 HydrophobicContact CE2-CG2 3.57Å; Y295-I299 HydrophobicContact CG-CB 4.45Å; Y295-I299 WeakPolarHBondContact O-CA 2.95Å; Y295-I299 WeakPolarHBondContact O-CB 3.24Å; Y295-I299 PolarHBondContact O-N 3.02Å; I299-R301 PolarHBondContact O-N 3.14Å; I299-R301 VanDerWaalsContact O-N 3.14Å; I299-I302 PolarHBondContact O-N 3.46Å; I299-V303 PolarHBondContact O-N 2.95Å |
| 300 | K | 76.7 | Confident | 81.5 | Confident | 132 Ų | 132 | 99.7 Ų | 99.7 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.8 | 179.9 | -167.6 | 178.4 | 177.8 | -179 | 0 | 113.6 | Y295 V303 | Y295-K300 HydrophobicContact CE1-CB 4.49Å; Y295-K300 PolarHBondContact O-N 2.83Å; K300-V303 VanDerWaalsContact O-OXT 3.12Å |
| 301 | R | 61.4 | Low | 80.6 | Confident | 205 Ų | 205 | 105 Ų | 105 | 77% | 0.774 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.1 | 173.4 | -89.5 | -175.5 | 170.9 | -179.3 | -2.9 | 114.3 | I299 | I299-R301 PolarHBondContact O-N 3.14Å; I299-R301 VanDerWaalsContact O-N 3.14Å |
| 302 | I | 56.1 | Low | 79.5 | Confident | 129 Ų | 129 | 110 Ų | 110 | 66% | 0.662 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -23 | -179.8 | -66.1 | -178.9 | 0 | 0 | 0 | 111.1 | F298 I299 | F298-I302 WeakPolarHBondContact O-CD1 3.4Å; F298-I302 VanDerWaalsContact O-CG1 3.24Å; F298-I302 WeakPolarHBondContact O-CG1 3.41Å; I299-I302 PolarHBondContact O-N 3.46Å |
| 303 | V | 46.1 | Very low | 78.1 | Confident | 174 Ų | 174 | 106.4 Ų | 106.4 | 100% | 1.055 | 50% | 0.503 | S | S | * | . | trans | -90.9 | 0 | 168.9 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | I299 K300 | I299-V303 PolarHBondContact O-N 2.95Å; K300-V303 VanDerWaalsContact O-OXT 3.12Å |
Retrieved 303 of 303 residues in 787 ms
(Link to these results)