| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.5 | Very low | 24.8 | Very low | 245 Ų | 245 | 158 Ų | 158 | 100% | 1.207 | 85% | 0.847 | S | S | * | * | 0 | 82.5 | 0 | -69.5 | 175.5 | 170.5 | 0 | 0 | 106.6 | |||||
| 2 | S | 24.2 | Very low | 25.4 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | 92.2 | 87.6 | 75 | -153 | 0 | 0 | 0 | 0 | 111 | |||||
| 3 | F | 18.3 | Very low | 26.1 | Very low | 204 Ų | 204 | 152.4 Ų | 152.4 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -68.5 | 142.5 | 165.6 | -68 | -93.3 | 0 | 0 | 0 | 109.6 | ||||
| 4 | R | 21.5 | Very low | 27.1 | Very low | 232 Ų | 232 | 151.8 Ų | 151.8 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | trans | -128.5 | 111.5 | 162 | -79.2 | -168.6 | 178.9 | -166 | 0.6 | 109 | ||||
| 5 | V | 19.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -83.6 | 139.7 | 161.8 | 175.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 6 | L | 22.3 | Very low | 28.3 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 78% | 0.78 | 83% | 0.828 | S | S | * | * | trans | -139.2 | 104 | 168 | -104.8 | 150 | 0 | 0 | 0 | 108.9 | ||||
| 7 | S | 21.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -69.3 | 146.2 | 157.7 | -71 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 8 | V | 24.9 | Very low | 28.7 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | -133.9 | 125 | 159.1 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 9 | S | 26.3 | Very low | 28.6 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -79.5 | 140.8 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 10 | I | 27.3 | Very low | 28.7 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -95.3 | 129.9 | 173 | -60.6 | 171.8 | 0 | 0 | 0 | 108.4 | ||||
| 11 | N | 33.4 | Very low | 28.6 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -119.3 | 125.3 | 170 | -168.8 | -12.8 | 0 | 0 | 0 | 108.6 | ||||
| 12 | P | 32.3 | Very low | 28.5 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 62% | 0.617 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 118.2 | -178.5 | 35 | -25.1 | 0 | 0 | 0 | 111.5 | ||||
| 13 | N | 33.7 | Very low | 28.9 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | 158 | 119 | 142.5 | -94 | -52.5 | 0 | 0 | 0 | 110.4 | ||||
| 14 | T | 41 | Very low | 29.4 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | 179.6 | 127 | 126.5 | 25.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 15 | H | 35.7 | Very low | 30.1 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -62 | 136.3 | 165.6 | -90.7 | -115.6 | 0 | 0 | 0 | 111.8 | ||||
| 16 | N | 38.1 | Very low | 30.6 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | 179.8 | 151 | 112.8 | -111.3 | -34.1 | 0 | 0 | 0 | 114.6 | |||||
| 17 | K | 30.2 | Very low | 31.1 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -61.7 | 144.6 | -177.4 | -62.2 | 164.3 | 174 | 175.6 | 0 | 114 | ||||
| 18 | S | 33.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | -176.4 | 145.1 | 126.2 | 20.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 19 | L | 26.1 | Very low | 32 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -100.3 | 123.6 | -171.1 | -169 | 151.6 | 0 | 0 | 0 | 108 | ||||
| 20 | V | 31.3 | Very low | 32 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -141.5 | 115.4 | 165.4 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | E | 26.6 | Very low | 32 | Very low | 173 Ų | 173 | 151.6 Ų | 151.6 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -80.5 | 131.7 | 169.2 | -171.5 | -169.1 | 147.5 | 0 | 0 | 109 | ||||
| 22 | L | 29.7 | Very low | 31.9 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -170.1 | 107.3 | 156.1 | -103.3 | 146 | 0 | 0 | 0 | 112.7 | ||||
| 23 | K | 33.5 | Very low | 31.7 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 27.1 | 121.8 | 143.3 | -81.3 | 169 | 171.4 | 171.3 | 0 | 121.6 | ||||
| 24 | S | 29 | Very low | 31.5 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -31.6 | 172.1 | 150.9 | -53.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 25 | P | 36.1 | Very low | 31 | Very low | 109 Ų | 109 | 155.8 Ų | 155.8 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -147 | 178.7 | 22.9 | 38.2 | -15 | 0 | 0 | 0 | 119 | ||||
| 26 | L | 29.2 | Very low | 30.8 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 73.1 | 100.3 | 151.3 | -80.8 | 150.5 | 0 | 0 | 0 | 119.7 | ||||
| 27 | Q | 34.2 | Very low | 30.4 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | -168 | 116.5 | 124 | -112 | 165.2 | 14 | 0 | 0 | 112.4 | |||||
| 28 | Q | 34 | Very low | 30.3 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -87.8 | 164.5 | 166.1 | -112.3 | -176.1 | 2.9 | 0 | 0 | 109.8 | ||||
| 29 | P | 30.9 | Very low | 30.1 | Very low | 107 Ų | 107 | 153.3 Ų | 153.3 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | -147.7 | 141.5 | 100 | 25.1 | -2.5 | 0 | 0 | 0 | 117.7 | |||||
| 30 | R | 27.1 | Very low | 30.5 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | 79.7 | 95.7 | 135 | -64.9 | 167.4 | -168.6 | -153.2 | 9.6 | 119.4 | Y32 | R30-Y32 HydrophobicContact CB-CD2 4.27Å; R30-Y32 HydrophobicContact CB-CE2 4.05Å; R30-Y32 HydrophobicContact CG-CE2 3.92Å; R30-Y32 PolarHBondContact NH1-OH 2.96Å | ||
| 31 | C | 26.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -103.4 | 120.8 | 137.7 | -69.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 32 | Y | 31.3 | Very low | 31.3 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -84.1 | 121.9 | 179.2 | -84 | -83.1 | 0 | 0 | 0 | 111.3 | R30 | R30-Y32 HydrophobicContact CB-CD2 4.27Å; R30-Y32 HydrophobicContact CB-CE2 4.05Å; R30-Y32 HydrophobicContact CG-CE2 3.92Å; R30-Y32 PolarHBondContact NH1-OH 2.96Å | ||
| 33 | A | 28.3 | Very low | 31.7 | Very low | 80 Ų | 80 | 146 Ų | 146 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | trans | 15 | 113.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 34 | W | 29.4 | Very low | 31.7 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -121.9 | 97.1 | 141.1 | -86.6 | 65 | 0 | 0 | 0 | 107.2 | P144 | W34-P144 HydrophobicContact CE3-CG 4.14Å; W34-P144 HydrophobicContact CH2-CB 3.58Å; W34-P144 HydrophobicContact CH2-CG 3.13Å; W34-P144 HydrophobicContact CZ2-CG 4.29Å; W34-P144 HydrophobicContact CZ3-CB 3.69Å; W34-P144 HydrophobicContact CZ3-CG 3.06Å | ||
| 35 | E | 29.6 | Very low | 31.9 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | -71.3 | 130.6 | 165.5 | -73.4 | 178.7 | 141.5 | 0 | 0 | 108.6 | ||||
| 36 | Y | 31.6 | Very low | 31.9 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | 172.3 | 112.4 | 126.7 | -92.1 | -70 | 0 | 0 | 0 | 109.1 | |||||
| 37 | K | 29.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 49.5 | 116.4 | 153.1 | -61.7 | 175.4 | -179.5 | 179.3 | 0 | 117.2 | ||
| 38 | T | 28.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | cis | -174.6 | 116.2 | 21.8 | 21.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 39 | C | 29.5 | Very low | 32.2 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 54% | 0.541 | 70% | 0.699 | S | S | . | * | trans | -152.8 | 118.6 | 151 | -94.2 | 0 | 0 | 0 | 0 | 106 | W44 | C39-W44 HydrophobicContact CB-CZ2 4.43Š| ||
| 40 | L | 35 | Very low | 32.6 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -58.5 | 132.9 | -173.9 | -79.1 | 160.6 | 0 | 0 | 0 | 110.8 | G42 Q43 | L40-G42 PolarHBondContact O-N 3.45Å; L40-Q43 PolarHBondContact O-N 3.33Å | ||
| 41 | P | 39.4 | Very low | 33 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -6.9 | -174.2 | 20.9 | -30.5 | 0 | 0 | 0 | 114.9 | ||
| 42 | G | 35.9 | Very low | 33.1 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -5.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | L40 | L40-G42 PolarHBondContact O-N 3.45Š|
| 43 | Q | 37.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -99.4 | -12.5 | 177.3 | -70.7 | -152.4 | -14.7 | 0 | 0 | 114.5 | L40 Y45 K46 | L40-Q43 PolarHBondContact O-N 3.33Å; Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 3.22Å; Q43-K46 PolarHBondContact O-N 2.74Å |
| 44 | W | 33 | Very low | 33.3 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 58% | 0.58 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -61.2 | -36.6 | -179.7 | -74.8 | 86.5 | 0 | 0 | 0 | 113.3 | C39 K46 I47 E48 | C39-W44 HydrophobicContact CB-CZ2 4.43Å; W44-K46 VanDerWaalsContact C-N 3.29Å; W44-K46 PolarHBondContact O-N 3.28Å; W44-I47 PolarHBondContact O-N 3.07Å; W44-E48 PolarHBondContact O-N 2.89Å |
| 45 | Y | 32.5 | Very low | 33.6 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -71.1 | -15.5 | -176.9 | -70.8 | -76.3 | 0 | 0 | 0 | 115 | Q43 | Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 3.22Å |
| 46 | K | 37.7 | Very low | 33.7 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -90.6 | -14.1 | 177.5 | -108 | 178 | 179.4 | 177.5 | 0 | 113.9 | Q43 W44 | Q43-K46 PolarHBondContact O-N 2.74Å; W44-K46 VanDerWaalsContact C-N 3.29Å; W44-K46 PolarHBondContact O-N 3.28Å |
| 47 | I | 32.5 | Very low | 33.7 | Very low | 83 Ų | 83 | 119.4 Ų | 119.4 | 43% | 0.426 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -32.9 | 175.3 | -62.4 | 175 | 0 | 0 | 0 | 109.8 | W44 E49 K50 I51 | W44-I47 PolarHBondContact O-N 3.07Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.03Å; I47-K50 PolarHBondContact O-N 3.26Å; I47-I51 HydrophobicContact CG2-CD1 3.92Å; I47-I51 PolarHBondContact O-N 3.44Å |
| 48 | E | 34.9 | Very low | 34 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -22 | 176.4 | -74.5 | -166.5 | 141.1 | 0 | 0 | 114.8 | W44 T53 | W44-E48 PolarHBondContact O-N 2.89Å; E48-T53 HydrophobicContact CB-CG2 3.49Å; E48-T53 VanDerWaalsContact CB-CG2 3.49Å; E48-T53 HydrophobicContact CG-CG2 3.55Å; E48-T53 WeakPolarHBondContact O-CG2 3.14Å |
| 49 | E | 36.5 | Very low | 34.4 | Very low | 172 Ų | 172 | 117.2 Ų | 117.2 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -20.1 | -178.5 | -159.8 | 177.8 | -172.4 | 0 | 0 | 113.3 | I47 | I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.03Å |
| 50 | K | 38.2 | Very low | 34.5 | Very low | 189 Ų | 189 | 117.6 Ų | 117.6 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -20 | -179.9 | -83.9 | -171.8 | 175 | -175.1 | 0 | 114.6 | I47 | I47-K50 PolarHBondContact O-N 3.26Š|
| 51 | I | 36.3 | Very low | 34.4 | Very low | 59 Ų | 59 | 114.3 Ų | 114.3 | 30% | 0.303 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.4 | 98.2 | -178.7 | -51.2 | 177.3 | 0 | 0 | 0 | 105.9 | I47 T53 F56 Y133 | I47-I51 HydrophobicContact CG2-CD1 3.92Å; I47-I51 PolarHBondContact O-N 3.44Å; I51-T53 PolarHBondContact O-N 3.31Å; I51-F56 HydrophobicContact CG2-CB 4.31Å; I51-Y133 VanDerWaalsContact CD1-OH 3.28Å; I51-Y133 WeakPolarHBondContact CD1-OH 3.48Å |
| 52 | G | 29.1 | Very low | 34.4 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 62% | 0.619 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.3 | 110.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G54 H55 | G52-G54 PolarHBondContact O-N 3.25Å; G52-H55 PolarHBondContact O-N 3.35Å |
| 53 | T | 32.4 | Very low | 34.3 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 56% | 0.564 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 5.6 | -162.7 | 26.4 | 0 | 0 | 0 | 0 | 116.2 | E48 I51 | E48-T53 HydrophobicContact CB-CG2 3.49Å; E48-T53 VanDerWaalsContact CB-CG2 3.49Å; E48-T53 HydrophobicContact CG-CG2 3.55Å; E48-T53 WeakPolarHBondContact O-CG2 3.14Å; I51-T53 PolarHBondContact O-N 3.31Å |
| 54 | G | 30.8 | Very low | 34 | Very low | 51 Ų | 51 | 114.2 Ų | 114.2 | 53% | 0.526 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | -22.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G52 R58 | G52-G54 PolarHBondContact O-N 3.25Å; G54-R58 WeakPolarHBondContact O-CB 3.3Å |
| 55 | H | 35 | Very low | 33.9 | Very low | 145 Ų | 145 | 109.3 Ų | 109.3 | 67% | 0.671 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -27.9 | -162.4 | -141.1 | -68.5 | 0 | 0 | 0 | 114.7 | G52 | G52-H55 PolarHBondContact O-N 3.35Š|
| 56 | F | 33.2 | Very low | 34 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 42% | 0.417 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -90.6 | -39.7 | -172.1 | -162.6 | -110 | 0 | 0 | 0 | 113 | I51 M60 | I51-F56 HydrophobicContact CG2-CB 4.31Å; F56-M60 HydrophobicContact CD1-CE 4.04Å; F56-M60 HydrophobicContact CE1-CE 3.3Å; F56-M60 HydrophobicContact CE2-CE 4.37Å; F56-M60 HydrophobicContact CZ-CE 3.5Å; F56-M60 VanDerWaalsContact CZ-CE 3.5Å; F56-M60 PolarHBondContact O-N 2.83Å |
| 57 | C | 31.5 | Very low | 33.7 | Very low | 100 Ų | 100 | 106.1 Ų | 106.1 | 68% | 0.676 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -78.5 | -24.9 | 175.6 | -76.9 | 0 | 0 | 0 | 0 | 113.7 | A61 | C57-A61 VanDerWaalsContact O-CB 3.3Å; C57-A61 WeakPolarHBondContact O-CB 3.24Å; C57-A61 PolarHBondContact O-N 2.93Å; C57-A61 VanDerWaalsContact O-N 3.12Å |
| 58 | R | 34.9 | Very low | 34 | Very low | 183 Ų | 183 | 106.3 Ų | 106.3 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.4 | -35.4 | 176.6 | -166.8 | 178.3 | -78.9 | -175.1 | -3.4 | 111.8 | G54 Q62 | G54-R58 WeakPolarHBondContact O-CB 3.3Å; R58-Q62 WeakPolarHBondContact O-CB 3.47Å; R58-Q62 WeakPolarHBondContact O-CG 3.48Å; R58-Q62 PolarHBondContact O-N 3.26Å |
| 59 | N | 37.2 | Very low | 34.3 | Very low | 84 Ų | 84 | 106.8 Ų | 106.8 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75.2 | -39.1 | 174 | -90.1 | 11.3 | 0 | 0 | 0 | 112.6 | Q62 S63 | N59-Q62 PolarHBondContact O-N 3.48Å; N59-S63 VanDerWaalsContact O-CB 3.32Å; N59-S63 WeakPolarHBondContact O-CB 3.33Å; N59-S63 PolarHBondContact O-N 3.35Å; N59-S63 PolarHBondContact O-OG 2.95Å |
| 60 | M | 30.9 | Very low | 34.6 | Very low | 88 Ų | 88 | 103.7 Ų | 103.7 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.1 | -32.1 | 177 | -104.7 | -162.4 | -104.7 | 0 | 0 | 113.9 | F56 S63 L64 | F56-M60 HydrophobicContact CD1-CE 4.04Å; F56-M60 HydrophobicContact CE1-CE 3.3Å; F56-M60 HydrophobicContact CE2-CE 4.37Å; F56-M60 HydrophobicContact CZ-CE 3.5Å; F56-M60 VanDerWaalsContact CZ-CE 3.5Å; F56-M60 PolarHBondContact O-N 2.83Å; M60-S63 PolarHBondContact O-N 3.2Å; M60-L64 PolarHBondContact O-N 3.35Å; M60-L64 VanDerWaalsContact O-N 3.08Å |
| 61 | A | 33 | Very low | 34.6 | Very low | 74 Ų | 74 | 97.7 Ų | 97.7 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.4 | -23.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C57 | C57-A61 VanDerWaalsContact O-CB 3.3Å; C57-A61 WeakPolarHBondContact O-CB 3.24Å; C57-A61 PolarHBondContact O-N 2.93Å; C57-A61 VanDerWaalsContact O-N 3.12Å |
| 62 | Q | 38.4 | Very low | 34.6 | Very low | 140 Ų | 140 | 96.2 Ų | 96.2 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -80.5 | -34.1 | 167.5 | -78.3 | 179.5 | -27.2 | 0 | 0 | 112.2 | R58 N59 | R58-Q62 WeakPolarHBondContact O-CB 3.47Å; R58-Q62 WeakPolarHBondContact O-CG 3.48Å; R58-Q62 PolarHBondContact O-N 3.26Å; N59-Q62 PolarHBondContact O-N 3.48Å |
| 63 | S | 34.1 | Very low | 35.3 | Very low | 81 Ų | 81 | 96.2 Ų | 96.2 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -78 | -18.6 | 180 | -64.3 | 0 | 0 | 0 | 0 | 114.5 | N59 M60 | N59-S63 VanDerWaalsContact O-CB 3.32Å; N59-S63 WeakPolarHBondContact O-CB 3.33Å; N59-S63 PolarHBondContact O-N 3.35Å; N59-S63 PolarHBondContact O-OG 2.95Å; M60-S63 PolarHBondContact O-N 3.2Å |
| 64 | L | 31.2 | Very low | 36 | Very low | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -113.8 | 6.8 | 176.6 | -64.9 | 170.2 | 0 | 0 | 0 | 113.5 | M60 L66 | M60-L64 PolarHBondContact O-N 3.35Å; M60-L64 VanDerWaalsContact O-N 3.08Å; L64-L66 PolarHBondContact O-N 2.84Å; L64-L66 VanDerWaalsContact O-N 3.09Å |
| 65 | G | 31.1 | Very low | 36.4 | Very low | 49 Ų | 49 | 97.5 Ų | 97.5 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | trans | -81.9 | 46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | K67 | G65-K67 VanDerWaalsContact C-N 3.28Å; G65-K67 PolarHBondContact O-N 3.41Å | ||
| 66 | L | 35 | Very low | 36.9 | Very low | 86 Ų | 86 | 93.8 Ų | 93.8 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | trans | -64.5 | 75.2 | -179.6 | -76.7 | 154 | 0 | 0 | 0 | 112.6 | L64 R70 | L64-L66 PolarHBondContact O-N 2.84Å; L64-L66 VanDerWaalsContact O-N 3.09Å; L66-R70 VanDerWaalsContact CD2-CD 3.47Å; L66-R70 HydrophobicContact CD2-CG 4.21Å; L66-R70 VanDerWaalsContact CD2-NE 3.26Å | ||
| 67 | K | 32.2 | Very low | 37.5 | Very low | 194 Ų | 194 | 90.7 Ų | 90.7 | 84% | 0.843 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 170.8 | 121.8 | 166 | -95.3 | 153.8 | -175.8 | 175.2 | 0 | 106.4 | G65 | G65-K67 VanDerWaalsContact C-N 3.28Å; G65-K67 PolarHBondContact O-N 3.41Å |
| 68 | P | 37.7 | Very low | 38 | Very low | 86 Ų | 86 | 87.9 Ų | 87.9 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | S | Bend | cis | -117.9 | 4.1 | 21.8 | 18.5 | 5.4 | 0 | 0 | 0 | 115.3 | S71 A72 | P68-S71 CarbonylContact O-C 3.59Å; P68-S71 WeakPolarHBondContact O-CA 3.44Å; P68-S71 WeakPolarHBondContact O-CB 3.22Å; P68-S71 PolarHBondContact O-N 2.98Å; P68-S71 PolarHBondContact O-OG 2.86Å; P68-A72 PolarHBondContact O-N 3.15Å |
| 69 | I | 42.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 83.1 Ų | 83.1 | 57% | 0.574 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.4 | -38.1 | -169.5 | -58.2 | 169 | 0 | 0 | 0 | 112.4 | S71 A72 A73 | I69-S71 PolarHBondContact O-N 3.34Å; I69-A72 PolarHBondContact O-N 3.43Å; I69-A73 PolarHBondContact O-N 3.24Å |
| 70 | R | 41.6 | Very low | 38.6 | Very low | 107 Ų | 107 | 82.9 Ų | 82.9 | 40% | 0.404 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -33.5 | 168.6 | -80.4 | -167.9 | 178 | 172.7 | 0.1 | 111.9 | L66 L74 | L66-R70 VanDerWaalsContact CD2-CD 3.47Å; L66-R70 HydrophobicContact CD2-CG 4.21Å; L66-R70 VanDerWaalsContact CD2-NE 3.26Å; R70-L74 WeakPolarHBondContact O-CB 3.4Å; R70-L74 VanDerWaalsContact O-CD1 3.26Å; R70-L74 WeakPolarHBondContact O-CD1 3.16Å; R70-L74 WeakPolarHBondContact O-CG 3.43Å; R70-L74 PolarHBondContact O-N 3.46Å; R70-L74 VanDerWaalsContact O-N 3.14Å |
| 71 | S | 39.8 | Very low | 39.3 | Very low | 62 Ų | 62 | 82.2 Ų | 82.2 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.9 | -32.8 | 176.3 | 84.4 | 0 | 0 | 0 | 0 | 112.4 | P68 I69 L75 | P68-S71 CarbonylContact O-C 3.59Å; P68-S71 WeakPolarHBondContact O-CA 3.44Å; P68-S71 WeakPolarHBondContact O-CB 3.22Å; P68-S71 PolarHBondContact O-N 2.98Å; P68-S71 PolarHBondContact O-OG 2.86Å; I69-S71 PolarHBondContact O-N 3.34Å; S71-L75 WeakPolarHBondContact O-CA 3.13Å; S71-L75 WeakPolarHBondContact O-CB 3.17Å; S71-L75 WeakPolarHBondContact O-CD1 3.33Å; S71-L75 WeakPolarHBondContact O-CG 3.38Å; S71-L75 PolarHBondContact O-N 3.13Å |
| 72 | A | 35.5 | Very low | 39.6 | Very low | 29 Ų | 29 | 80.4 Ų | 80.4 | 24% | 0.24 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -73 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P68 I69 L75 I76 | P68-A72 PolarHBondContact O-N 3.15Å; I69-A72 PolarHBondContact O-N 3.43Å; A72-L75 CarbonylContact O-C 3.53Å; A72-L75 PolarHBondContact O-N 2.78Å; A72-I76 WeakPolarHBondContact O-CB 3.28Å; A72-I76 WeakPolarHBondContact O-CD1 3.28Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.08Å |
| 73 | A | 43.4 | Very low | 39.6 | Very low | 60 Ų | 60 | 76.3 Ų | 76.3 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I69 I76 A77 | I69-A73 PolarHBondContact O-N 3.24Å; A73-I76 PolarHBondContact O-N 3.26Å; A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 3.32Å |
| 74 | L | 47.3 | Very low | 40.1 | Very low | 70 Ų | 70 | 75.3 Ų | 75.3 | 37% | 0.366 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.4 | -35.5 | 172.1 | -71.3 | 171.5 | 0 | 0 | 0 | 112.4 | R70 A78 L111 | R70-L74 WeakPolarHBondContact O-CB 3.4Å; R70-L74 VanDerWaalsContact O-CD1 3.26Å; R70-L74 WeakPolarHBondContact O-CD1 3.16Å; R70-L74 WeakPolarHBondContact O-CG 3.43Å; R70-L74 PolarHBondContact O-N 3.46Å; R70-L74 VanDerWaalsContact O-N 3.14Å; L74-A78 WeakPolarHBondContact O-CB 3.49Å; L74-A78 PolarHBondContact O-N 3.4Å; L74-L111 HydrophobicContact CD2-CD1 4.09Å; L74-L111 HydrophobicContact CD2-CD2 3.65Å |
| 75 | L | 39.9 | Very low | 40.5 | Very low | 99 Ų | 99 | 75 Ų | 75 | 52% | 0.518 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 173.6 | -88.6 | 160.3 | 0 | 0 | 0 | 110.6 | S71 A72 A78 L79 | S71-L75 WeakPolarHBondContact O-CA 3.13Å; S71-L75 WeakPolarHBondContact O-CB 3.17Å; S71-L75 WeakPolarHBondContact O-CD1 3.33Å; S71-L75 WeakPolarHBondContact O-CG 3.38Å; S71-L75 PolarHBondContact O-N 3.13Å; A72-L75 CarbonylContact O-C 3.53Å; A72-L75 PolarHBondContact O-N 2.78Å; L75-A78 PolarHBondContact O-N 3.4Å; L75-L79 WeakPolarHBondContact O-CA 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.25Å; L75-L79 VanDerWaalsContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CD1 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.09Å |
| 76 | I | 45.2 | Very low | 40.9 | Very low | 68 Ų | 68 | 73.9 Ų | 73.9 | 35% | 0.349 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 178.9 | -67.4 | 162.4 | 0 | 0 | 0 | 109.8 | A72 A73 L79 L80 | A72-I76 WeakPolarHBondContact O-CB 3.28Å; A72-I76 WeakPolarHBondContact O-CD1 3.28Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.08Å; A73-I76 PolarHBondContact O-N 3.26Å; I76-L79 PolarHBondContact O-N 3.26Å; I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 VanDerWaalsContact O-CB 3.3Å; I76-L80 WeakPolarHBondContact O-CB 3.47Å; I76-L80 WeakPolarHBondContact O-CD1 3.41Å; I76-L80 WeakPolarHBondContact O-CG 3.15Å; I76-L80 PolarHBondContact O-N 2.96Å |
| 77 | A | 45.5 | Very low | 41.1 | Very low | 30 Ų | 30 | 73.2 Ų | 73.2 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A73 L80 V81 F107 | A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 3.32Å; A77-L80 PolarHBondContact O-N 2.83Å; A77-V81 WeakPolarHBondContact O-CB 3.18Å; A77-V81 WeakPolarHBondContact O-CG2 3.33Å; A77-V81 PolarHBondContact O-N 3.12Å; A77-F107 HydrophobicContact CB-CZ 4.42Å |
| 78 | A | 43.1 | Very low | 41.5 | Very low | 41 Ų | 41 | 66.8 Ų | 66.8 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L74 L75 S82 | L74-A78 WeakPolarHBondContact O-CB 3.49Å; L74-A78 PolarHBondContact O-N 3.4Å; L75-A78 PolarHBondContact O-N 3.4Å; A78-S82 VanDerWaalsContact O-CB 3.29Å; A78-S82 WeakPolarHBondContact O-CB 3.3Å; A78-S82 PolarHBondContact O-N 3.09Å; A78-S82 PolarHBondContact O-OG 2.98Å |
| 79 | L | 38.8 | Very low | 41.5 | Very low | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 177 | -75.5 | 165.6 | 0 | 0 | 0 | 111.4 | L75 I76 S83 | L75-L79 WeakPolarHBondContact O-CA 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.25Å; L75-L79 VanDerWaalsContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CD1 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.09Å; I76-L79 PolarHBondContact O-N 3.26Å; L79-S83 WeakPolarHBondContact O-CA 3.38Å; L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.62Å |
| 80 | L | 44.4 | Very low | 41.4 | Very low | 78 Ų | 78 | 68.3 Ų | 68.3 | 41% | 0.408 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.8 | -35.7 | 176.8 | -70.2 | 168.1 | 0 | 0 | 0 | 112.1 | I76 A77 N84 | I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 VanDerWaalsContact O-CB 3.3Å; I76-L80 WeakPolarHBondContact O-CB 3.47Å; I76-L80 WeakPolarHBondContact O-CD1 3.41Å; I76-L80 WeakPolarHBondContact O-CG 3.15Å; I76-L80 PolarHBondContact O-N 2.96Å; A77-L80 PolarHBondContact O-N 2.83Å; L80-N84 VanDerWaalsContact O-CB 3.31Å; L80-N84 WeakPolarHBondContact O-CB 3.48Å; L80-N84 PolarHBondContact O-N 3.01Å; L80-N84 PolarHBondContact O-OD1 3.12Å |
| 81 | V | 45.7 | Very low | 41.5 | Very low | 74 Ų | 74 | 68.5 Ų | 68.5 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -74.1 | -40.5 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | A77 N84 Y85 | A77-V81 WeakPolarHBondContact O-CB 3.18Å; A77-V81 WeakPolarHBondContact O-CG2 3.33Å; A77-V81 PolarHBondContact O-N 3.12Å; V81-N84 CarbonylContact O-C 3.14Å; V81-N84 WeakPolarHBondContact O-CA 3.33Å; V81-N84 PolarHBondContact O-N 3.29Å; V81-Y85 PolarHBondContact O-N 3.04Å |
| 82 | S | 39.5 | Very low | 41.5 | Very low | 36 Ų | 36 | 67.8 Ų | 67.8 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -79 | -34.2 | 179.7 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | A78 N84 Y85 | A78-S82 VanDerWaalsContact O-CB 3.29Å; A78-S82 WeakPolarHBondContact O-CB 3.3Å; A78-S82 PolarHBondContact O-N 3.09Å; A78-S82 PolarHBondContact O-OG 2.98Å; S82-N84 PolarHBondContact O-N 2.97Å; S82-N84 VanDerWaalsContact O-N 3.16Å; S82-Y85 VanDerWaalsContact O-CB 3.25Å; S82-Y85 WeakPolarHBondContact O-CB 3.39Å; S82-Y85 PolarHBondContact O-N 3.47Å; S82-Y85 VanDerWaalsContact O-N 3.15Å |
| 83 | S | 39 | Very low | 41.3 | Very low | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 4.1 | 161.8 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | L79 T257 P258 | L79-S83 WeakPolarHBondContact O-CA 3.38Å; L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.62Å; S83-T257 CarbonylContact C-O 3.54Å; S83-T257 WeakPolarHBondContact CA-O 3.38Å; S83-T257 CarbonylContact O-C 3.54Å; S83-T257 VanDerWaalsContact O-O 3.06Å; S83-P258 VanDerWaalsContact C-CB 3.4Å; S83-P258 WeakPolarHBondContact O-CA 2.8Å; S83-P258 WeakPolarHBondContact O-CB 3.21Å |
| 84 | N | 44.9 | Very low | 41.2 | Very low | 59 Ų | 59 | 72.9 Ų | 72.9 | 32% | 0.316 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 2.2 | 169.1 | -74.9 | 6.3 | 0 | 0 | 0 | 114.1 | L80 V81 S82 P258 M259 | L80-N84 VanDerWaalsContact O-CB 3.31Å; L80-N84 WeakPolarHBondContact O-CB 3.48Å; L80-N84 PolarHBondContact O-N 3.01Å; L80-N84 PolarHBondContact O-OD1 3.12Å; V81-N84 CarbonylContact O-C 3.14Å; V81-N84 WeakPolarHBondContact O-CA 3.33Å; V81-N84 PolarHBondContact O-N 3.29Å; S82-N84 PolarHBondContact O-N 2.97Å; S82-N84 VanDerWaalsContact O-N 3.16Å; N84-P258 VanDerWaalsContact C-CG 3.43Å; N84-P258 HydrophobicContact CB-CB 4.24Å; N84-P258 WeakPolarHBondContact O-CB 3.21Å; N84-P258 WeakPolarHBondContact O-CG 3.5Å; N84-M259 PolarHBondContact ND2-O 2.94Å; N84-M259 PolarHBondContact OD1-N 3.45Å; N84-M259 PolarHBondContact OD1-O 3.48Å |
| 85 | Y | 39.6 | Very low | 41 | Very low | 98 Ų | 98 | 74.8 Ų | 74.8 | 38% | 0.384 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -39.1 | -167.5 | -159.1 | -89.2 | 0 | 0 | 0 | 116.9 | V81 S82 V89 L100 | V81-Y85 PolarHBondContact O-N 3.04Å; S82-Y85 VanDerWaalsContact O-CB 3.25Å; S82-Y85 WeakPolarHBondContact O-CB 3.39Å; S82-Y85 PolarHBondContact O-N 3.47Å; S82-Y85 VanDerWaalsContact O-N 3.15Å; Y85-V89 HydrophobicContact CD1-CG2 4.1Å; Y85-V89 HydrophobicContact CE1-CG2 4.01Å; Y85-V89 VanDerWaalsContact O-CG2 3.3Å; Y85-V89 WeakPolarHBondContact O-CG2 3.45Å; Y85-V89 PolarHBondContact O-N 3.49Å; Y85-L100 HydrophobicContact CD1-CD1 4.45Å; Y85-L100 HydrophobicContact CD2-CD1 3.83Å; Y85-L100 HydrophobicContact CD2-CD2 3.66Å; Y85-L100 HydrophobicContact CD2-CG 4.21Å; Y85-L100 HydrophobicContact CE1-CD1 4.11Å; Y85-L100 HydrophobicContact CE2-CB 3.77Å; Y85-L100 HydrophobicContact CE2-CD1 3.48Å; Y85-L100 VanDerWaalsContact CE2-CD1 3.48Å; Y85-L100 HydrophobicContact CE2-CD2 3.7Å; Y85-L100 HydrophobicContact CE2-CG 3.82Å; Y85-L100 HydrophobicContact CG-CD1 4.3Å |
| 86 | A | 38.3 | Very low | 41 | Very low | 24 Ų | 24 | 70.8 Ų | 70.8 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||
| 87 | L | 39.9 | Very low | 40.8 | Very low | 73 Ų | 73 | 70.5 Ų | 70.5 | 38% | 0.382 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -37.9 | -176.4 | -119.3 | 75.1 | 0 | 0 | 0 | 104.3 | E90 T91 P258 M259 | L87-E90 PolarHBondContact O-N 2.71Å; L87-T91 PolarHBondContact O-N 3.26Å; L87-T91 PolarHBondContact O-OG1 3.35Å; L87-P258 VanDerWaalsContact CA-CG 3.46Å; L87-P258 HydrophobicContact CB-CB 4.48Å; L87-P258 HydrophobicContact CB-CG 3.32Å; L87-P258 VanDerWaalsContact CB-O 3.32Å; L87-P258 WeakPolarHBondContact CB-O 2.95Å; L87-P258 WeakPolarHBondContact CD1-O 3.48Å; L87-P258 WeakPolarHBondContact CD2-O 3.3Å; L87-P258 HydrophobicContact CG-CG 4.42Å; L87-P258 WeakPolarHBondContact CG-O 3.31Å; L87-M259 HydrophobicContact CD2-CE 4.09Å; L87-M259 HydrophobicContact CD2-CG 3.85Å; L87-M259 HydrophobicContact CD2-SD 4.26Å |
| 88 | L | 39.7 | Very low | 40.8 | Very low | 59 Ų | 59 | 76.4 Ų | 76.4 | 31% | 0.309 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 177.6 | -134.7 | 87.1 | 0 | 0 | 0 | 110.5 | C92 V96 | L88-C92 PolarHBondContact O-N 2.85Å; L88-V96 HydrophobicContact CB-CG1 4.04Å; L88-V96 HydrophobicContact CD2-CG1 3.87Å; L88-V96 HydrophobicContact CD2-CG2 3.99Å; L88-V96 HydrophobicContact CG-CG1 4.22Å; L88-V96 HydrophobicContact CG-CG2 4.13Å |
| 89 | V | 38.6 | Very low | 40.7 | Very low | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.388 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.7 | -33 | 176.9 | 175 | 0 | 0 | 0 | 0 | 112.2 | Y85 V96 L100 | Y85-V89 HydrophobicContact CD1-CG2 4.1Å; Y85-V89 HydrophobicContact CE1-CG2 4.01Å; Y85-V89 VanDerWaalsContact O-CG2 3.3Å; Y85-V89 WeakPolarHBondContact O-CG2 3.45Å; Y85-V89 PolarHBondContact O-N 3.49Å; V89-V96 HydrophobicContact CG2-CG1 3.92Å; V89-L100 HydrophobicContact CG2-CD1 3.67Å |
| 90 | E | 40.9 | Very low | 40.9 | Very low | 166 Ų | 166 | 77.1 Ų | 77.1 | 78% | 0.776 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -75.4 | -22.1 | -178.7 | -158.4 | 173.4 | -161.2 | 0 | 0 | 113 | L87 | L87-E90 PolarHBondContact O-N 2.71Å |
| 91 | T | 42.1 | Very low | 41.2 | Very low | 110 Ų | 110 | 77.6 Ų | 77.6 | 68% | 0.675 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -107.9 | -12.9 | -175.9 | 47.8 | 0 | 0 | 0 | 0 | 115.4 | L87 | L87-T91 PolarHBondContact O-N 3.26Å; L87-T91 PolarHBondContact O-OG1 3.35Å |
| 92 | C | 39.7 | Very low | 41.1 | Very low | 48 Ų | 48 | 77 Ų | 77 | 32% | 0.324 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -141.3 | 40 | -169.6 | -78.1 | 0 | 0 | 0 | 0 | 114.6 | L88 N94 N95 V96 | L88-C92 PolarHBondContact O-N 2.85Å; C92-N94 PolarHBondContact O-N 2.88Å; C92-N95 PolarHBondContact O-N 2.92Å; C92-V96 HydrophobicContact CB-CB 4.3Å; C92-V96 HydrophobicContact CB-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.13Å |
| 93 | G | 31.8 | Very low | 41.5 | Very low | 64 Ų | 64 | 78 Ų | 78 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | 127.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 94 | N | 41.6 | Very low | 42.1 | Very low | 131 Ų | 131 | 79.2 Ų | 79.2 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -39.5 | -177.5 | -73.3 | -6.8 | 0 | 0 | 0 | 118.9 | C92 | C92-N94 PolarHBondContact O-N 2.88Š|
| 95 | N | 44 | Very low | 42.5 | Very low | 110 Ų | 110 | 81.5 Ų | 81.5 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -84.4 | -31.3 | 179.1 | -78.7 | -19.7 | 0 | 0 | 0 | 112.3 | C92 K98 Y99 | C92-N95 PolarHBondContact O-N 2.92Å; N95-K98 PolarHBondContact O-N 2.96Å; N95-Y99 PolarHBondContact O-N 3.49Å |
| 96 | V | 38.8 | Very low | 43.1 | Very low | 15 Ų | 15 | 84.5 Ų | 84.5 | 9% | 0.091 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 176.4 | 163 | 0 | 0 | 0 | 0 | 112 | L88 V89 C92 K98 Y99 L100 | L88-V96 HydrophobicContact CB-CG1 4.04Å; L88-V96 HydrophobicContact CD2-CG1 3.87Å; L88-V96 HydrophobicContact CD2-CG2 3.99Å; L88-V96 HydrophobicContact CG-CG1 4.22Å; L88-V96 HydrophobicContact CG-CG2 4.13Å; V89-V96 HydrophobicContact CG2-CG1 3.92Å; C92-V96 HydrophobicContact CB-CB 4.3Å; C92-V96 HydrophobicContact CB-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.13Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 2.87Å; V96-Y99 PolarHBondContact O-N 3.5Å; V96-L100 HydrophobicContact CG1-CD1 3.29Å; V96-L100 HydrophobicContact CG1-CG 3.92Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 2.79Å |
| 97 | T | 41.8 | Very low | 43.7 | Very low | 62 Ų | 62 | 87.3 Ų | 87.3 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.3 | -19.9 | 0 | 0 | 0 | 0 | 111.9 | L100 D101 | T97-L100 PolarHBondContact O-N 3.41Å; T97-D101 VanDerWaalsContact O-CG 3.26Å; T97-D101 PolarHBondContact O-N 2.97Å |
| 98 | K | 45.5 | Very low | 44.5 | Very low | 155 Ų | 155 | 89.3 Ų | 89.3 | 67% | 0.674 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.5 | -37.5 | 176.5 | -71.2 | -176 | 177.4 | 178.4 | 0 | 113.3 | N95 V96 L100 C102 | N95-K98 PolarHBondContact O-N 2.96Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 2.87Å; K98-L100 VanDerWaalsContact C-N 3.33Å; K98-C102 WeakPolarHBondContact O-CB 3.05Å; K98-C102 PolarHBondContact O-N 3.43Å |
| 99 | Y | 39.9 | Very low | 45.5 | Very low | 119 Ų | 119 | 89 Ų | 89 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 174.8 | 176.5 | -99.1 | 0 | 0 | 0 | 110.8 | N95 V96 C102 V103 | N95-Y99 PolarHBondContact O-N 3.49Å; V96-Y99 PolarHBondContact O-N 3.5Å; Y99-C102 WeakPolarHBondContact O-CB 3.2Å; Y99-C102 PolarHBondContact O-N 3.31Å; Y99-V103 HydrophobicContact CD1-CG2 4.14Å; Y99-V103 HydrophobicContact CE1-CG2 3.69Å; Y99-V103 HydrophobicContact CE2-CG2 4.2Å; Y99-V103 WeakPolarHBondContact O-CG2 3.06Å; Y99-V103 PolarHBondContact O-N 3.25Å |
| 100 | L | 43.9 | Very low | 46.2 | Very low | 20 Ų | 20 | 88.5 Ų | 88.5 | 11% | 0.105 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 179.2 | -70.3 | 169.3 | 0 | 0 | 0 | 112.2 | Y85 V89 V96 T97 K98 C102 V103 D104 | Y85-L100 HydrophobicContact CD1-CD1 4.45Å; Y85-L100 HydrophobicContact CD2-CD1 3.83Å; Y85-L100 HydrophobicContact CD2-CD2 3.66Å; Y85-L100 HydrophobicContact CD2-CG 4.21Å; Y85-L100 HydrophobicContact CE1-CD1 4.11Å; Y85-L100 HydrophobicContact CE2-CB 3.77Å; Y85-L100 HydrophobicContact CE2-CD1 3.48Å; Y85-L100 VanDerWaalsContact CE2-CD1 3.48Å; Y85-L100 HydrophobicContact CE2-CD2 3.7Å; Y85-L100 HydrophobicContact CE2-CG 3.82Å; Y85-L100 HydrophobicContact CG-CD1 4.3Å; V89-L100 HydrophobicContact CG2-CD1 3.67Å; V96-L100 HydrophobicContact CG1-CD1 3.29Å; V96-L100 HydrophobicContact CG1-CG 3.92Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 2.79Å; T97-L100 PolarHBondContact O-N 3.41Å; K98-L100 VanDerWaalsContact C-N 3.33Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 PolarHBondContact O-N 3.45Å; L100-V103 PolarHBondContact O-N 3.35Å; L100-D104 WeakPolarHBondContact O-CB 3.41Å; L100-D104 PolarHBondContact O-N 3.01Å |
| 101 | D | 49.4 | Very low | 46.6 | Very low | 88 Ų | 88 | 82.2 Ų | 82.2 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 172 | -69 | -22.2 | 0 | 0 | 0 | 110.9 | T97 D105 | T97-D101 VanDerWaalsContact O-CG 3.26Å; T97-D101 PolarHBondContact O-N 2.97Å; D101-D105 WeakPolarHBondContact O-CB 3.29Å; D101-D105 PolarHBondContact O-N 2.91Å |
| 102 | C | 44.9 | Very low | 47.3 | Very low | 61 Ų | 61 | 83 Ų | 83 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 177.2 | -177 | 0 | 0 | 0 | 0 | 113.2 | K98 Y99 L100 R106 | K98-C102 WeakPolarHBondContact O-CB 3.05Å; K98-C102 PolarHBondContact O-N 3.43Å; Y99-C102 WeakPolarHBondContact O-CB 3.2Å; Y99-C102 PolarHBondContact O-N 3.31Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 PolarHBondContact O-N 3.45Å; C102-R106 WeakPolarHBondContact O-CB 3.26Å; C102-R106 WeakPolarHBondContact O-CG 3.1Å; C102-R106 PolarHBondContact O-N 2.98Å |
| 103 | V | 47.4 | Very low | 48.3 | Very low | 56 Ų | 56 | 87.1 Ų | 87.1 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -42 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | Y99 L100 R106 F107 | Y99-V103 HydrophobicContact CD1-CG2 4.14Å; Y99-V103 HydrophobicContact CE1-CG2 3.69Å; Y99-V103 HydrophobicContact CE2-CG2 4.2Å; Y99-V103 WeakPolarHBondContact O-CG2 3.06Å; Y99-V103 PolarHBondContact O-N 3.25Å; L100-V103 PolarHBondContact O-N 3.35Å; V103-R106 PolarHBondContact O-N 3.22Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.7Å |
| 104 | D | 50.5 | Low | 49.5 | Very low | 82 Ų | 82 | 89.9 Ų | 89.9 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.5 | -52.1 | 176.6 | -160 | 45 | 0 | 0 | 0 | 109.9 | L100 R106 F107 W108 | L100-D104 WeakPolarHBondContact O-CB 3.41Å; L100-D104 PolarHBondContact O-N 3.01Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 2.89Å; D104-F107 PolarHBondContact O-N 3.26Å; D104-W108 PolarHBondContact O-N 3.39Å; D104-W108 VanDerWaalsContact OD1-CD1 3.31Å; D104-W108 PolarHBondContact OD1-NE1 3.33Å |
| 105 | D | 54.1 | Low | 49.8 | Very low | 107 Ų | 107 | 87.3 Ų | 87.3 | 57% | 0.572 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -57.9 | -42.5 | 178.3 | -78.5 | -18.5 | 0 | 0 | 0 | 112.5 | D101 A109 | D101-D105 WeakPolarHBondContact O-CB 3.29Å; D101-D105 PolarHBondContact O-N 2.91Å; D105-A109 VanDerWaalsContact O-CB 3.25Å; D105-A109 WeakPolarHBondContact O-CB 2.98Å; D105-A109 PolarHBondContact O-N 3.34Å |
| 106 | R | 52.8 | Low | 50.7 | Low | 160 Ų | 160 | 87.2 Ų | 87.2 | 60% | 0.604 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -72 | -38.8 | 178.3 | -80.2 | -168.6 | 178.1 | -170.8 | 2.3 | 113.3 | C102 V103 D104 A109 A110 | C102-R106 WeakPolarHBondContact O-CB 3.26Å; C102-R106 WeakPolarHBondContact O-CG 3.1Å; C102-R106 PolarHBondContact O-N 2.98Å; V103-R106 PolarHBondContact O-N 3.22Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 2.89Å; R106-A109 PolarHBondContact O-N 2.78Å; R106-A110 VanDerWaalsContact O-CB 3.3Å; R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 2.88Å |
| 107 | F | 50.3 | Low | 51.7 | Low | 84 Ų | 84 | 90.4 Ų | 90.4 | 37% | 0.368 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 177.5 | 177.3 | -95.1 | 0 | 0 | 0 | 110.3 | A77 V103 D104 A110 L111 | A77-F107 HydrophobicContact CB-CZ 4.42Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.7Å; D104-F107 PolarHBondContact O-N 3.26Å; F107-A110 PolarHBondContact O-N 3.39Å; F107-L111 HydrophobicContact CE1-CD2 4.31Å; F107-L111 VanDerWaalsContact O-CB 3.25Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 PolarHBondContact O-N 3.33Å |
| 108 | W | 57.2 | Low | 52.2 | Low | 114 Ų | 114 | 91.5 Ų | 91.5 | 43% | 0.432 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.2 | -72.3 | 115.4 | 0 | 0 | 0 | 112.1 | D104 A110 L111 E112 | D104-W108 PolarHBondContact O-N 3.39Å; D104-W108 VanDerWaalsContact OD1-CD1 3.31Å; D104-W108 PolarHBondContact OD1-NE1 3.33Å; W108-A110 PolarHBondContact O-N 3.29Å; W108-L111 HydrophobicContact CE3-CD2 3.88Å; W108-L111 HydrophobicContact CZ3-CD2 3.73Å; W108-L111 PolarHBondContact O-N 3.45Å; W108-E112 WeakPolarHBondContact O-CB 3.42Å; W108-E112 WeakPolarHBondContact O-CG 3.27Å; W108-E112 PolarHBondContact O-N 3.31Å |
| 109 | A | 60.4 | Low | 52.5 | Low | 53 Ų | 53 | 89.1 Ų | 89.1 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D105 R106 Q113 | D105-A109 VanDerWaalsContact O-CB 3.25Å; D105-A109 WeakPolarHBondContact O-CB 2.98Å; D105-A109 PolarHBondContact O-N 3.34Å; R106-A109 PolarHBondContact O-N 2.78Å; A109-Q113 WeakPolarHBondContact O-CB 3.09Å; A109-Q113 PolarHBondContact O-N 2.89Å |
| 110 | A | 53.1 | Low | 53.8 | Low | 54 Ų | 54 | 88.5 Ų | 88.5 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R106 F107 W108 Q113 Q114 | R106-A110 VanDerWaalsContact O-CB 3.3Å; R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 2.88Å; F107-A110 PolarHBondContact O-N 3.39Å; W108-A110 PolarHBondContact O-N 3.29Å; A110-Q113 PolarHBondContact O-N 3.47Å; A110-Q114 WeakPolarHBondContact O-CB 3.23Å; A110-Q114 PolarHBondContact O-N 2.96Å |
| 111 | L | 49.4 | Very low | 54.6 | Low | 34 Ų | 34 | 91.7 Ų | 91.7 | 18% | 0.178 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.9 | -176.2 | 70.8 | 0 | 0 | 0 | 111.3 | L74 F107 W108 Q113 Q114 M115 | L74-L111 HydrophobicContact CD2-CD1 4.09Å; L74-L111 HydrophobicContact CD2-CD2 3.65Å; F107-L111 HydrophobicContact CE1-CD2 4.31Å; F107-L111 VanDerWaalsContact O-CB 3.25Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 PolarHBondContact O-N 3.33Å; W108-L111 HydrophobicContact CE3-CD2 3.88Å; W108-L111 HydrophobicContact CZ3-CD2 3.73Å; W108-L111 PolarHBondContact O-N 3.45Å; L111-Q113 PolarHBondContact O-N 2.86Å; L111-Q114 PolarHBondContact O-N 3.43Å; L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 3.42Å |
| 112 | E | 56.3 | Low | 54.6 | Low | 127 Ų | 127 | 89.5 Ų | 89.5 | 59% | 0.593 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.6 | -47.4 | 175.6 | -78.6 | -179.5 | 178.1 | 0 | 0 | 111.1 | W108 Q114 M115 E116 | W108-E112 WeakPolarHBondContact O-CB 3.42Å; W108-E112 WeakPolarHBondContact O-CG 3.27Å; W108-E112 PolarHBondContact O-N 3.31Å; E112-Q114 PolarHBondContact O-N 2.91Å; E112-M115 PolarHBondContact O-N 3.43Å; E112-E116 WeakPolarHBondContact O-CB 3.16Å; E112-E116 PolarHBondContact O-N 3.21Å |
| 113 | Q | 61.9 | Low | 55.1 | Low | 133 Ų | 133 | 90.8 Ų | 90.8 | 62% | 0.621 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.7 | -41.5 | 178 | -172 | -179.4 | 8.9 | 0 | 0 | 112.3 | A109 A110 L111 E116 T117 | A109-Q113 WeakPolarHBondContact O-CB 3.09Å; A109-Q113 PolarHBondContact O-N 2.89Å; A110-Q113 PolarHBondContact O-N 3.47Å; L111-Q113 PolarHBondContact O-N 2.86Å; Q113-E116 PolarHBondContact O-N 2.81Å; Q113-T117 WeakPolarHBondContact O-CB 3.39Å; Q113-T117 PolarHBondContact O-N 2.74Å; Q113-T117 PolarHBondContact O-OG1 3.34Å |
| 114 | Q | 55.7 | Low | 55.9 | Low | 123 Ų | 123 | 93.6 Ų | 93.6 | 58% | 0.575 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 177.1 | -174.1 | 176.7 | -5.6 | 0 | 0 | 111.1 | A110 L111 E112 E116 T117 E118 | A110-Q114 WeakPolarHBondContact O-CB 3.23Å; A110-Q114 PolarHBondContact O-N 2.96Å; L111-Q114 PolarHBondContact O-N 3.43Å; E112-Q114 PolarHBondContact O-N 2.91Å; Q114-E116 VanDerWaalsContact C-N 3.34Å; Q114-E116 PolarHBondContact O-N 3.14Å; Q114-T117 PolarHBondContact O-N 2.76Å; Q114-E118 WeakPolarHBondContact O-CG 3.33Å; Q114-E118 PolarHBondContact O-N 3.49Å |
| 115 | M | 48.7 | Very low | 56.1 | Low | 77 Ų | 77 | 95.8 Ų | 95.8 | 38% | 0.379 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176 | -70.4 | -157.4 | -36.7 | 0 | 0 | 112 | L111 E112 T117 E118 M119 | L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 3.42Å; E112-M115 PolarHBondContact O-N 3.43Å; M115-T117 VanDerWaalsContact C-N 3.34Å; M115-E118 PolarHBondContact O-N 3.16Å; M115-M119 WeakPolarHBondContact O-CB 3.43Å; M115-M119 VanDerWaalsContact O-CG 3.3Å; M115-M119 WeakPolarHBondContact O-CG 3.25Å; M115-M119 PolarHBondContact O-N 2.95Å |
| 116 | E | 61.7 | Low | 55.8 | Low | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177.3 | -165.1 | -172.5 | 156.8 | 0 | 0 | 111.4 | E112 Q113 Q114 M119 K120 | E112-E116 WeakPolarHBondContact O-CB 3.16Å; E112-E116 PolarHBondContact O-N 3.21Å; Q113-E116 PolarHBondContact O-N 2.81Å; Q114-E116 VanDerWaalsContact C-N 3.34Å; Q114-E116 PolarHBondContact O-N 3.14Å; E116-M119 PolarHBondContact O-N 2.88Å; E116-K120 WeakPolarHBondContact O-CG 3.46Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 WeakPolarHBondContact OE1-CE 3.35Å; E116-K120 IonicContact OE1-NZ 2.7Å; E116-K120 PolarHBondContact OE1-NZ 2.9Å |
| 117 | T | 61 | Low | 56.1 | Low | 83 Ų | 83 | 87.9 Ų | 87.9 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | Q113 Q114 M115 K120 N121 | Q113-T117 WeakPolarHBondContact O-CB 3.39Å; Q113-T117 PolarHBondContact O-N 2.74Å; Q113-T117 PolarHBondContact O-OG1 3.34Å; Q114-T117 PolarHBondContact O-N 2.76Å; M115-T117 VanDerWaalsContact C-N 3.34Å; T117-K120 PolarHBondContact O-N 2.83Å; T117-N121 WeakPolarHBondContact O-CB 3.41Å; T117-N121 PolarHBondContact O-N 3.44Å |
| 118 | E | 52.9 | Low | 56.5 | Low | 84 Ų | 84 | 90 Ų | 90 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 176.3 | -70.7 | -64.2 | 153.9 | 0 | 0 | 111.8 | Q114 M115 N121 I122 | Q114-E118 WeakPolarHBondContact O-CG 3.33Å; Q114-E118 PolarHBondContact O-N 3.49Å; M115-E118 PolarHBondContact O-N 3.16Å; E118-N121 PolarHBondContact O-N 3.24Å; E118-I122 WeakPolarHBondContact O-CB 3.43Å; E118-I122 WeakPolarHBondContact O-CD1 3.35Å; E118-I122 WeakPolarHBondContact O-CG1 3.49Å; E118-I122 PolarHBondContact O-N 2.75Å |
| 119 | M | 51.2 | Low | 56.1 | Low | 105 Ų | 105 | 86.3 Ų | 86.3 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.5 | -75.2 | -175.6 | 89.1 | 0 | 0 | 111.8 | M115 E116 I122 E123 | M115-M119 WeakPolarHBondContact O-CB 3.43Å; M115-M119 VanDerWaalsContact O-CG 3.3Å; M115-M119 WeakPolarHBondContact O-CG 3.25Å; M115-M119 PolarHBondContact O-N 2.95Å; E116-M119 PolarHBondContact O-N 2.88Å; M119-I122 PolarHBondContact O-N 3.43Å; M119-E123 WeakPolarHBondContact O-CB 3Å; M119-E123 PolarHBondContact O-N 3.49Å |
| 120 | K | 66.6 | Low | 55.8 | Low | 107 Ų | 107 | 87.5 Ų | 87.5 | 47% | 0.465 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 174 | -75.4 | 176.4 | -175 | 163 | 0 | 112.1 | E116 T117 I122 E123 E124 | E116-K120 WeakPolarHBondContact O-CG 3.46Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 WeakPolarHBondContact OE1-CE 3.35Å; E116-K120 IonicContact OE1-NZ 2.7Å; E116-K120 PolarHBondContact OE1-NZ 2.9Å; T117-K120 PolarHBondContact O-N 2.83Å; K120-I122 VanDerWaalsContact C-N 3.35Å; K120-I122 PolarHBondContact O-N 3.5Å; K120-E123 PolarHBondContact O-N 2.87Å; K120-E124 WeakPolarHBondContact O-CG 3.34Å; K120-E124 PolarHBondContact O-N 3.28Å |
| 121 | N | 60.7 | Low | 56.5 | Low | 86 Ų | 86 | 89 Ų | 89 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.9 | -167.6 | 35.6 | 0 | 0 | 0 | 111.7 | T117 E118 E124 E125 | T117-N121 WeakPolarHBondContact O-CB 3.41Å; T117-N121 PolarHBondContact O-N 3.44Å; E118-N121 PolarHBondContact O-N 3.24Å; N121-E124 PolarHBondContact O-N 3.47Å; N121-E125 WeakPolarHBondContact O-CB 3.36Å; N121-E125 PolarHBondContact O-N 2.94Å |
| 122 | I | 49.8 | Very low | 57.2 | Low | 43 Ų | 43 | 91.1 Ų | 91.1 | 22% | 0.221 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 173.8 | -66.1 | 164.2 | 0 | 0 | 0 | 110.7 | E118 M119 K120 E124 E125 V126 M140 | E118-I122 WeakPolarHBondContact O-CB 3.43Å; E118-I122 WeakPolarHBondContact O-CD1 3.35Å; E118-I122 WeakPolarHBondContact O-CG1 3.49Å; E118-I122 PolarHBondContact O-N 2.75Å; M119-I122 PolarHBondContact O-N 3.43Å; K120-I122 VanDerWaalsContact C-N 3.35Å; K120-I122 PolarHBondContact O-N 3.5Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 2.97Å; I122-E125 PolarHBondContact O-N 3.46Å; I122-V126 HydrophobicContact CG2-CG2 4.16Å; I122-V126 VanDerWaalsContact O-CB 3.31Å; I122-V126 WeakPolarHBondContact O-CB 3.44Å; I122-V126 WeakPolarHBondContact O-CG2 3.29Å; I122-V126 PolarHBondContact O-N 3.34Å; I122-M140 HydrophobicContact CG2-CE 4.15Å |
| 123 | E | 56.1 | Low | 57.2 | Low | 87 Ų | 87 | 90.4 Ų | 90.4 | 41% | 0.407 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.3 | -173.4 | 173.7 | -163.7 | 0 | 0 | 112.1 | M119 K120 T127 M140 | M119-E123 WeakPolarHBondContact O-CB 3Å; M119-E123 PolarHBondContact O-N 3.49Å; K120-E123 PolarHBondContact O-N 2.87Å; E123-T127 VanDerWaalsContact O-CB 3.25Å; E123-T127 WeakPolarHBondContact O-CB 3.22Å; E123-T127 PolarHBondContact O-N 3.43Å; E123-T127 PolarHBondContact O-OG1 3.47Å; E123-M140 HydrophobicContact CB-CE 3.91Å; E123-M140 HydrophobicContact CG-CE 4.29Å |
| 124 | E | 64.6 | Low | 57.6 | Low | 116 Ų | 116 | 91.9 Ų | 91.9 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 173.4 | -75.4 | -178.8 | -172.7 | 0 | 0 | 112 | K120 N121 I122 T127 Q128 | K120-E124 WeakPolarHBondContact O-CG 3.34Å; K120-E124 PolarHBondContact O-N 3.28Å; N121-E124 PolarHBondContact O-N 3.47Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 2.97Å; E124-T127 PolarHBondContact O-N 2.7Å; E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 VanDerWaalsContact O-CG 3.29Å; E124-Q128 WeakPolarHBondContact O-CG 3.13Å; E124-Q128 PolarHBondContact O-N 2.88Å |
| 125 | E | 54.3 | Low | 57.8 | Low | 128 Ų | 128 | 88 Ų | 88 | 60% | 0.598 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 178.2 | -171.1 | -178.9 | 177.1 | 0 | 0 | 111.6 | N121 I122 Q128 C129 | N121-E125 WeakPolarHBondContact O-CB 3.36Å; N121-E125 PolarHBondContact O-N 2.94Å; I122-E125 PolarHBondContact O-N 3.46Å; E125-Q128 PolarHBondContact O-N 3.32Å; E125-C129 WeakPolarHBondContact O-CB 3.3Å; E125-C129 PolarHBondContact O-N 3.5Å |
| 126 | V | 47.2 | Very low | 58.5 | Low | 41 Ų | 41 | 90.7 Ų | 90.7 | 25% | 0.248 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 109.5 | I122 Q128 C129 F130 A137 M140 | I122-V126 HydrophobicContact CG2-CG2 4.16Å; I122-V126 VanDerWaalsContact O-CB 3.31Å; I122-V126 WeakPolarHBondContact O-CB 3.44Å; I122-V126 WeakPolarHBondContact O-CG2 3.29Å; I122-V126 PolarHBondContact O-N 3.34Å; V126-Q128 PolarHBondContact O-N 3.01Å; V126-C129 WeakPolarHBondContact O-CB 3.45Å; V126-C129 PolarHBondContact O-N 2.91Å; V126-C129 VanDerWaalsContact O-N 3.13Å; V126-F130 HydrophobicContact CG1-CD2 3.62Å; V126-F130 HydrophobicContact CG1-CE2 3.62Å; V126-F130 VanDerWaalsContact O-CD2 3.24Å; V126-F130 WeakPolarHBondContact O-CD2 3.48Å; V126-F130 PolarHBondContact O-N 3.28Å; V126-A137 HydrophobicContact CG1-CB 4.43Å; V126-M140 HydrophobicContact CG2-CE 4.48Å |
| 127 | T | 58.7 | Low | 58 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 37% | 0.368 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 179.6 | -59.1 | 0 | 0 | 0 | 0 | 112 | E123 E124 C129 F130 T131 | E123-T127 VanDerWaalsContact O-CB 3.25Å; E123-T127 WeakPolarHBondContact O-CB 3.22Å; E123-T127 PolarHBondContact O-N 3.43Å; E123-T127 PolarHBondContact O-OG1 3.47Å; E124-T127 PolarHBondContact O-N 2.7Å; T127-C129 VanDerWaalsContact C-N 3.32Å; T127-C129 PolarHBondContact O-N 2.81Å; T127-F130 PolarHBondContact O-N 3.46Å; T127-T131 HydrophobicContact CG2-CG2 4.29Å; T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 VanDerWaalsContact O-CG2 3.28Å; T127-T131 WeakPolarHBondContact O-CG2 3.29Å; T127-T131 PolarHBondContact O-N 2.78Å; T127-T131 PolarHBondContact O-OG1 2.92Å |
| 128 | Q | 59.9 | Low | 57.6 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 174.6 | -76 | 178.9 | 18.2 | 0 | 0 | 111.6 | E124 E125 V126 T131 A132 | E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 VanDerWaalsContact O-CG 3.29Å; E124-Q128 WeakPolarHBondContact O-CG 3.13Å; E124-Q128 PolarHBondContact O-N 2.88Å; E125-Q128 PolarHBondContact O-N 3.32Å; V126-Q128 PolarHBondContact O-N 3.01Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.48Å; Q128-T131 PolarHBondContact O-N 2.92Å; Q128-T131 PolarHBondContact O-OG1 3.41Å; Q128-A132 WeakPolarHBondContact O-CB 3.27Å; Q128-A132 PolarHBondContact O-N 2.9Å |
| 129 | C | 49 | Very low | 57.7 | Low | 38 Ų | 38 | 90.7 Ų | 90.7 | 26% | 0.257 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.8 | -166 | 0 | 0 | 0 | 0 | 111.3 | E125 V126 T127 T131 A132 Y133 | E125-C129 WeakPolarHBondContact O-CB 3.3Å; E125-C129 PolarHBondContact O-N 3.5Å; V126-C129 WeakPolarHBondContact O-CB 3.45Å; V126-C129 PolarHBondContact O-N 2.91Å; V126-C129 VanDerWaalsContact O-N 3.13Å; T127-C129 VanDerWaalsContact C-N 3.32Å; T127-C129 PolarHBondContact O-N 2.81Å; C129-T131 PolarHBondContact O-N 2.81Å; C129-A132 PolarHBondContact O-N 2.94Å; C129-Y133 VanDerWaalsContact O-CD2 3.22Å; C129-Y133 WeakPolarHBondContact O-CD2 3.27Å |
| 130 | F | 52.2 | Low | 57.6 | Low | 78 Ų | 78 | 88.9 Ų | 88.9 | 34% | 0.342 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 178.9 | -84.3 | -84.3 | 0 | 0 | 0 | 112 | V126 T127 A132 Y133 D134 C135 A137 | V126-F130 HydrophobicContact CG1-CD2 3.62Å; V126-F130 HydrophobicContact CG1-CE2 3.62Å; V126-F130 VanDerWaalsContact O-CD2 3.24Å; V126-F130 WeakPolarHBondContact O-CD2 3.48Å; V126-F130 PolarHBondContact O-N 3.28Å; T127-F130 PolarHBondContact O-N 3.46Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 3.3Å; F130-Y133 CarbonylContact O-C 3.54Å; F130-Y133 PolarHBondContact O-N 3Å; F130-Y133 VanDerWaalsContact O-N 3.13Å; F130-D134 PolarHBondContact O-N 2.89Å; F130-C135 CarbonylContact C-O 3.13Å; F130-C135 HydrophobicContact CB-CB 4.31Å; F130-C135 WeakPolarHBondContact CB-O 3.35Å; F130-C135 HydrophobicContact CD1-CB 3.63Å; F130-C135 HydrophobicContact CG-CB 4.46Å; F130-C135 WeakPolarHBondContact O-CA 3.25Å; F130-C135 WeakPolarHBondContact O-CB 3.36Å; F130-C135 PolarHBondContact O-N 2.85Å; F130-A137 HydrophobicContact CB-CB 3.9Å; F130-A137 HydrophobicContact CD2-CB 3.76Å; F130-A137 HydrophobicContact CG-CB 3.9Å |
| 131 | T | 68.2 | Low | 57 | Low | 86 Ų | 86 | 87.1 Ų | 87.1 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 177.9 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | T127 Q128 C129 Y133 D134 | T127-T131 HydrophobicContact CG2-CG2 4.29Å; T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 VanDerWaalsContact O-CG2 3.28Å; T127-T131 WeakPolarHBondContact O-CG2 3.29Å; T127-T131 PolarHBondContact O-N 2.78Å; T127-T131 PolarHBondContact O-OG1 2.92Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.48Å; Q128-T131 PolarHBondContact O-N 2.92Å; Q128-T131 PolarHBondContact O-OG1 3.41Å; C129-T131 PolarHBondContact O-N 2.81Å; T131-Y133 PolarHBondContact O-N 2.58Å; T131-D134 PolarHBondContact O-N 3.42Å |
| 132 | A | 65.5 | Low | 56.2 | Low | 77 Ų | 77 | 89.6 Ų | 89.6 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -20.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q128 C129 F130 | Q128-A132 WeakPolarHBondContact O-CB 3.27Å; Q128-A132 PolarHBondContact O-N 2.9Å; C129-A132 PolarHBondContact O-N 2.94Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 3.3Å |
| 133 | Y | 56 | Low | 55.7 | Low | 112 Ų | 112 | 96.3 Ų | 96.3 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 22.7 | 177.8 | -68.1 | -76.3 | 0 | 0 | 0 | 112.9 | I51 C129 F130 T131 C135 | I51-Y133 VanDerWaalsContact CD1-OH 3.28Å; I51-Y133 WeakPolarHBondContact CD1-OH 3.48Å; C129-Y133 VanDerWaalsContact O-CD2 3.22Å; C129-Y133 WeakPolarHBondContact O-CD2 3.27Å; F130-Y133 CarbonylContact O-C 3.54Å; F130-Y133 PolarHBondContact O-N 3Å; F130-Y133 VanDerWaalsContact O-N 3.13Å; T131-Y133 PolarHBondContact O-N 2.58Å; Y133-C135 PolarHBondContact O-N 3.34Å; Y133-C135 VanDerWaalsContact O-N 3.15Å; Y133-C135 PolarHBondContact O-SG 2.95Å |
| 134 | D | 69.6 | Low | 55.1 | Low | 164 Ų | 164 | 95.6 Ų | 95.6 | 88% | 0.877 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 31.3 | -177.4 | -68 | -44.1 | 0 | 0 | 0 | 113.5 | F130 T131 | F130-D134 PolarHBondContact O-N 2.89Å; T131-D134 PolarHBondContact O-N 3.42Å |
| 135 | C | 59.2 | Low | 54.4 | Low | 43 Ų | 43 | 100.6 Ų | 100.6 | 29% | 0.291 | 54% | 0.54 | S | S | . | . | trans | -111.9 | 149.5 | 179.5 | -64 | 0 | 0 | 0 | 0 | 110.7 | F130 Y133 | F130-C135 CarbonylContact C-O 3.13Å; F130-C135 HydrophobicContact CB-CB 4.31Å; F130-C135 WeakPolarHBondContact CB-O 3.35Å; F130-C135 HydrophobicContact CD1-CB 3.63Å; F130-C135 HydrophobicContact CG-CB 4.46Å; F130-C135 WeakPolarHBondContact O-CA 3.25Å; F130-C135 WeakPolarHBondContact O-CB 3.36Å; F130-C135 PolarHBondContact O-N 2.85Å; Y133-C135 PolarHBondContact O-N 3.34Å; Y133-C135 VanDerWaalsContact O-N 3.15Å; Y133-C135 PolarHBondContact O-SG 2.95Å | ||
| 136 | T | 65 | Low | 53.6 | Low | 133 Ų | 133 | 97.8 Ų | 97.8 | 82% | 0.816 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -90.1 | 125 | 172.5 | -50.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 137 | A | 50.9 | Low | 53.2 | Low | 23 Ų | 23 | 105.3 Ų | 105.3 | 19% | 0.19 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -64.6 | 138.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V126 F130 | V126-A137 HydrophobicContact CG1-CB 4.43Å; F130-A137 HydrophobicContact CB-CB 3.9Å; F130-A137 HydrophobicContact CD2-CB 3.76Å; F130-A137 HydrophobicContact CG-CB 3.9Å |
| 138 | P | 51.8 | Low | 52.3 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 60% | 0.597 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -66 | 137.2 | 172.5 | 25.6 | -30.3 | 0 | 0 | 0 | 110.2 | M140 | P138-M140 PolarHBondContact O-N 2.85Š|
| 139 | Q | 55.4 | Low | 51.2 | Low | 159 Ų | 159 | 103.1 Ų | 103.1 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.9 | 175.3 | -66.8 | -174 | 34.6 | 0 | 0 | 109.4 | G141 D142 | Q139-G141 PolarHBondContact O-N 3.29Å; Q139-D142 PolarHBondContact O-N 3.34Å |
| 140 | M | 49.8 | Very low | 50.9 | Low | 66 Ų | 66 | 110.3 Ų | 110.3 | 33% | 0.325 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -1.2 | -179 | -76.9 | -155.2 | -158.5 | 0 | 0 | 114.4 | I122 E123 V126 P138 | I122-M140 HydrophobicContact CG2-CE 4.15Å; E123-M140 HydrophobicContact CB-CE 3.91Å; E123-M140 HydrophobicContact CG-CE 4.29Å; V126-M140 HydrophobicContact CG2-CE 4.48Å; P138-M140 PolarHBondContact O-N 2.85Å |
| 141 | G | 52.5 | Low | 50.8 | Low | 71 Ų | 71 | 114.9 Ų | 114.9 | 73% | 0.732 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -17.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q139 Y143 | Q139-G141 PolarHBondContact O-N 3.29Å; G141-Y143 PolarHBondContact O-N 2.94Å |
| 142 | D | 44.2 | Very low | 49.7 | Very low | 138 Ų | 138 | 116.9 Ų | 116.9 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | trans | -100 | 42 | -174 | -72.9 | -46.1 | 0 | 0 | 0 | 112.6 | Q139 P144 | Q139-D142 PolarHBondContact O-N 3.34Å; D142-P144 WeakPolarHBondContact O-CD 3.37Å; D142-P144 VanDerWaalsContact O-N 3.13Å | ||
| 143 | Y | 39.9 | Very low | 48.8 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | trans | -64.6 | 116.4 | 167.6 | -90.8 | -83.2 | 0 | 0 | 0 | 108.7 | G141 R145 | G141-Y143 PolarHBondContact O-N 2.94Å; Y143-R145 PolarHBondContact O-N 3.46Å | ||
| 144 | P | 43.4 | Very low | 48.1 | Very low | 72 Ų | 72 | 121 Ų | 121 | 47% | 0.468 | 69% | 0.693 | S | S | . | * | trans | -66.1 | 110.2 | 179 | 23.1 | -25.4 | 0 | 0 | 0 | 107.2 | W34 D142 G146 | W34-P144 HydrophobicContact CE3-CG 4.14Å; W34-P144 HydrophobicContact CH2-CB 3.58Å; W34-P144 HydrophobicContact CH2-CG 3.13Å; W34-P144 HydrophobicContact CZ2-CG 4.29Å; W34-P144 HydrophobicContact CZ3-CB 3.69Å; W34-P144 HydrophobicContact CZ3-CG 3.06Å; D142-P144 WeakPolarHBondContact O-CD 3.37Å; D142-P144 VanDerWaalsContact O-N 3.13Å; P144-G146 PolarHBondContact O-N 3.23Å | ||
| 145 | R | 49.4 | Very low | 46.7 | Very low | 220 Ų | 220 | 116.6 Ų | 116.6 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | trans | -43.7 | 107 | 168.8 | -102.5 | -178.2 | 179.5 | 176.6 | 1.2 | 107.3 | Y143 H147 | Y143-R145 PolarHBondContact O-N 3.46Å; R145-H147 PolarHBondContact O-N 2.87Å | ||
| 146 | G | 38 | Very low | 46.1 | Very low | 70 Ų | 70 | 120 Ų | 120 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -49.2 | 119.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | P144 G148 | P144-G146 PolarHBondContact O-N 3.23Å; G146-G148 PolarHBondContact O-N 3.25Å | ||
| 147 | H | 38.7 | Very low | 45.1 | Very low | 199 Ų | 199 | 121.5 Ų | 121.5 | 92% | 0.921 | 71% | 0.705 | S | S | * | * | trans | -60.1 | 79.4 | 173.6 | -82.8 | -77 | 0 | 0 | 0 | 110.2 | R145 G149 | R145-H147 PolarHBondContact O-N 2.87Å; H147-G149 PolarHBondContact O-N 2.85Å | ||
| 148 | G | 39.7 | Very low | 45 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | -83.9 | 49.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G146 H150 | G146-G148 PolarHBondContact O-N 3.25Å; G148-H150 VanDerWaalsContact C-N 3.31Å; G148-H150 PolarHBondContact O-N 3.23Å; G148-H150 VanDerWaalsContact O-N 3.07Å | ||
| 149 | G | 37 | Very low | 44.9 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -78.7 | 77.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | H147 K151 | H147-G149 PolarHBondContact O-N 2.85Å; G149-K151 PolarHBondContact O-N 2.84Å | ||
| 150 | H | 43.3 | Very low | 44.2 | Very low | 190 Ų | 190 | 126.3 Ų | 126.3 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | trans | -72.5 | 110.9 | 163.3 | -93 | -83.6 | 0 | 0 | 0 | 108.9 | G148 | G148-H150 VanDerWaalsContact C-N 3.31Å; G148-H150 PolarHBondContact O-N 3.23Å; G148-H150 VanDerWaalsContact O-N 3.07Å | ||
| 151 | K | 49.9 | Very low | 44 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -53.9 | 141.7 | 172.9 | -74.4 | 175.4 | 173.6 | 176.7 | 0 | 111.3 | G149 F153 | G149-K151 PolarHBondContact O-N 2.84Å; K151-F153 PolarHBondContact O-N 2.99Å | ||
| 152 | P | 44.9 | Very low | 43.7 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -77.7 | 112 | 169.6 | 31.1 | -28.2 | 0 | 0 | 0 | 108.9 | G154 | P152-G154 PolarHBondContact O-N 2.95Š| ||
| 153 | F | 46.6 | Very low | 43.8 | Very low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -86.7 | 102.7 | 164.4 | -91.7 | -85.6 | 0 | 0 | 0 | 108.7 | K151 | K151-F153 PolarHBondContact O-N 2.99Š| ||
| 154 | G | 40.9 | Very low | 44.3 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -69.4 | 132.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P152 | P152-G154 PolarHBondContact O-N 2.95Š| ||
| 155 | G | 40 | Very low | 44.5 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -142 | 125.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 156 | P | 47.4 | Very low | 44.5 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -91.1 | 142.4 | -173.3 | 32.6 | -31.1 | 0 | 0 | 0 | 113.9 | ||||
| 157 | H | 44.6 | Very low | 45.4 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 67.7 | 162.2 | 153.4 | -74.1 | -55.9 | 0 | 0 | 0 | 119.5 | ||||
| 158 | P | 48.7 | Very low | 46 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | cis | -133 | 174.2 | 2.3 | 21.9 | 4 | 0 | 0 | 0 | 116.5 | ||||
| 159 | H | 49.3 | Very low | 46 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -41.7 | 145.8 | 176.5 | -69.7 | -88.8 | 0 | 0 | 0 | 119.3 | ||||
| 160 | G | 40.2 | Very low | 46.2 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -165.9 | 125 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 161 | P | 46.2 | Very low | 46.2 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | trans | -98.6 | 164.6 | -155.6 | 38.9 | -35.2 | 0 | 0 | 0 | 114.1 | ||||
| 162 | G | 45 | Very low | 45.9 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 162.8 | 94.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 163 | D | 47 | Very low | 45.7 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -45 | 126 | 174.3 | -59.3 | -84.2 | 0 | 0 | 0 | 115.3 | ||||
| 164 | R | 49.8 | Very low | 45.6 | Very low | 250 Ų | 250 | 141.2 Ų | 141.2 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | -146.7 | 114.9 | 143.8 | -71 | -161.6 | 176.1 | 173 | -1.4 | 111.4 | ||||
| 165 | K | 48.6 | Very low | 45.9 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 141.1 | 177.6 | -162.9 | 175.4 | -173.8 | 178.9 | 0 | 111.2 | ||
| 166 | P | 49.5 | Very low | 45.9 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 144.5 | 179.5 | 32 | -31.2 | 0 | 0 | 0 | 111.4 | ||
| 167 | P | 56.7 | Low | 45.5 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79 | 129.6 | 167.4 | 4 | 12.3 | 0 | 0 | 0 | 110.5 | ||
| 168 | K | 50.7 | Low | 45.3 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 157.2 | 162.3 | -90.5 | 179 | 174.2 | 179.5 | 0 | 110.2 | ||
| 169 | P | 40 | Very low | 44.9 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 142.7 | -173.6 | -1 | 17.7 | 0 | 0 | 0 | 111 | D171 | P169-D171 PolarHBondContact O-N 3.5Š|
| 170 | F | 42 | Very low | 44.7 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | trans | -78 | 115.9 | 173.3 | -79.6 | -88.4 | 0 | 0 | 0 | 110.5 | I172 | F170-I172 HydrophobicContact CB-CG1 4.41Å; F170-I172 PolarHBondContact O-N 2.87Å | ||
| 171 | D | 42 | Very low | 45.4 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -64.1 | 114.2 | 148.1 | -74.9 | -59.6 | 0 | 0 | 0 | 108.5 | P169 | P169-D171 PolarHBondContact O-N 3.5Š| ||
| 172 | I | 44.4 | Very low | 45.5 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -104.1 | 94.4 | 163.9 | -63.1 | 177.2 | 0 | 0 | 0 | 106.6 | F170 | F170-I172 HydrophobicContact CB-CG1 4.41Å; F170-I172 PolarHBondContact O-N 2.87Å | ||
| 173 | L | 40.8 | Very low | 45.9 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -103.4 | 145.2 | 163.3 | -94.8 | 169.5 | 0 | 0 | 0 | 108.3 | ||||
| 174 | L | 44.8 | Very low | 45.8 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 91.2 | 153.8 | 156.2 | -62.7 | 152.1 | 0 | 0 | 0 | 117.4 | ||||
| 175 | P | 45.8 | Very low | 45.9 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 58% | 0.584 | 79% | 0.786 | S | S | * | * | -136.1 | -173 | -78.4 | 32.1 | -9.3 | 0 | 0 | 0 | 109.6 | |||||
| 176 | F | 40.3 | Very low | 46.6 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | 170.6 | 146.3 | 128.7 | -97.2 | -80.7 | 0 | 0 | 0 | 110 | |||||
| 177 | P | 39.1 | Very low | 47.1 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -104 | 165.9 | -164.6 | 38.6 | -26.9 | 0 | 0 | 0 | 112.7 | ||||
| 178 | G | 40 | Very low | 47.6 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 151.2 | 127 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 179 | S | 40.7 | Very low | 48.5 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 73.9 | 92 | 157.5 | 35.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 180 | Q | 45.3 | Very low | 49.7 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -75 | 143.8 | 145.4 | -82.4 | -169.1 | -13.6 | 0 | 0 | 110.4 | ||||
| 181 | P | 54.2 | Low | 50.8 | Low | 83 Ų | 83 | 145 Ų | 145 | 54% | 0.539 | 79% | 0.786 | S | S | . | * | trans | -101.7 | 147.1 | 152.3 | 33.6 | -26.4 | 0 | 0 | 0 | 111.3 | F183 | P181-F183 HydrophobicContact CB-CD2 4.04Å; P181-F183 HydrophobicContact CB-CE2 3.63Å; P181-F183 HydrophobicContact CB-CZ 4.46Å; P181-F183 HydrophobicContact CG-CD2 3.85Å; P181-F183 HydrophobicContact CG-CE2 3.52Å; P181-F183 PolarHBondContact O-N 2.93Å | ||
| 182 | P | 49.7 | Very low | 51.9 | Low | 128 Ų | 128 | 143.7 Ų | 143.7 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -85.9 | 108.6 | 175.3 | 32.9 | -26.4 | 0 | 0 | 0 | 108.8 | ||||
| 183 | F | 52 | Low | 52.7 | Low | 189 Ų | 189 | 139 Ų | 139 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -105.3 | 123.4 | 170.8 | -76.3 | -73.3 | 0 | 0 | 0 | 110.9 | P181 | P181-F183 HydrophobicContact CB-CD2 4.04Å; P181-F183 HydrophobicContact CB-CE2 3.63Å; P181-F183 HydrophobicContact CB-CZ 4.46Å; P181-F183 HydrophobicContact CG-CD2 3.85Å; P181-F183 HydrophobicContact CG-CE2 3.52Å; P181-F183 PolarHBondContact O-N 2.93Å | ||
| 184 | G | 45.8 | Very low | 53.6 | Low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 166.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 185 | R | 51.9 | Low | 54.3 | Low | 243 Ų | 243 | 133.7 Ų | 133.7 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 131.5 | 177.8 | -71.5 | 179 | -180 | -172.1 | -1 | 111 | ||
| 186 | P | 62.5 | Low | 55 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 147.5 | 163.7 | 27.5 | -30.4 | 0 | 0 | 0 | 109.9 | ||
| 187 | P | 60.4 | Low | 56 | Low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 140.7 | 177.8 | 26.7 | -31.6 | 0 | 0 | 0 | 110.6 | ||
| 188 | R | 66.8 | Low | 56.9 | Low | 236 Ų | 236 | 137.5 Ų | 137.5 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136.4 | 175.1 | -90.7 | -176 | -178.3 | -150.5 | -1.9 | 110.3 | ||
| 189 | P | 71.1 | Confident | 58.4 | Low | 108 Ų | 108 | 139.3 Ų | 139.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.2 | 167.7 | 27 | -30.9 | 0 | 0 | 0 | 110.2 | R191 | P189-R191 PolarHBondContact O-N 3.24Š|
| 190 | P | 64.1 | Low | 60.1 | Low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 133.6 | 179.9 | 27.2 | -31.8 | 0 | 0 | 0 | 110 | ||
| 191 | R | 65 | Low | 61.6 | Low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60 | 128.6 | 177.1 | -147.2 | 178.1 | -163.1 | -139.5 | 2.8 | 108.7 | P189 G193 | P189-R191 PolarHBondContact O-N 3.24Å; R191-G193 PolarHBondContact O-N 2.85Å; R191-G193 VanDerWaalsContact O-N 3.13Å |
| 192 | P | 66.2 | Low | 62.7 | Low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.4 | 169.1 | -16.5 | 29.2 | 0 | 0 | 0 | 107.8 | ||
| 193 | G | 59.6 | Low | 64.2 | Low | 59 Ų | 59 | 136.5 Ų | 136.5 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 152.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R191 G195 | R191-G193 PolarHBondContact O-N 2.85Å; R191-G193 VanDerWaalsContact O-N 3.13Å; G193-G195 PolarHBondContact O-N 2.89Å; G193-G195 VanDerWaalsContact O-N 3.12Å |
| 194 | P | 60.3 | Low | 65.4 | Low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.7 | 176.4 | 27.4 | -31.2 | 0 | 0 | 0 | 108.2 | ||
| 195 | G | 59.3 | Low | 66.7 | Low | 49 Ų | 49 | 135 Ų | 135 | 51% | 0.505 | 77% | 0.768 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 140.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G193 | G193-G195 PolarHBondContact O-N 2.89Å; G193-G195 VanDerWaalsContact O-N 3.12Å |
| 196 | P | 62 | Low | 67.7 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 139.4 | 166.5 | 30.4 | -29.6 | 0 | 0 | 0 | 106.6 | ||
| 197 | F | 60.4 | Low | 68 | Low | 197 Ų | 197 | 127.2 Ų | 127.2 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.6 | 23.7 | 174.6 | -51.2 | -79.5 | 0 | 0 | 0 | 119.7 | P199 | F197-P199 VanDerWaalsContact O-CD 3.32Å; F197-P199 WeakPolarHBondContact O-CD 3.2Å |
| 198 | E | 57.8 | Low | 68.2 | Low | 178 Ų | 178 | 126.8 Ų | 126.8 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 118 | 156.2 | -94.5 | -170.1 | 113.4 | 0 | 0 | 110.5 | ||
| 199 | P | 72.4 | Confident | 68.2 | Low | 106 Ų | 106 | 118 Ų | 118 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 144.1 | 172 | 26.8 | -31.3 | 0 | 0 | 0 | 109.9 | F197 | F197-P199 VanDerWaalsContact O-CD 3.32Å; F197-P199 WeakPolarHBondContact O-CD 3.2Å |
| 200 | P | 76.1 | Confident | 68 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.2 | 179.4 | 25.5 | -33.2 | 0 | 0 | 0 | 110.6 | ||
| 201 | P | 75.6 | Confident | 67.7 | Low | 116 Ų | 116 | 122.3 Ų | 122.3 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63 | 145 | 177.6 | 25.5 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 202 | P | 78.4 | Confident | 67.4 | Low | 114 Ų | 114 | 118 Ų | 118 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 150.6 | 179.4 | 26.6 | -33.3 | 0 | 0 | 0 | 111.4 | ||
| 203 | P | 80.2 | Confident | 67.5 | Low | 117 Ų | 117 | 117.5 Ų | 117.5 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 147.6 | 178.9 | 26.8 | -33.4 | 0 | 0 | 0 | 111 | ||
| 204 | P | 76.9 | Confident | 68 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 147.2 | 177.5 | 26.6 | -32.9 | 0 | 0 | 0 | 110.8 | ||
| 205 | P | 73.8 | Confident | 68.5 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -64 | 155.6 | 176 | 26.7 | -32.9 | 0 | 0 | 0 | 111.2 | G207 | P205-G207 PolarHBondContact O-N 3.38Š|
| 206 | P | 72.8 | Confident | 68.9 | Low | 130 Ų | 130 | 122.4 Ų | 122.4 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.7 | 179 | -11.6 | 25.7 | 0 | 0 | 0 | 109.3 | ||
| 207 | G | 69.1 | Low | 69.3 | Low | 63 Ų | 63 | 123.6 Ų | 123.6 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P205 G209 | P205-G207 PolarHBondContact O-N 3.38Å; G207-G209 PolarHBondContact O-N 2.92Å |
| 208 | P | 65.4 | Low | 69.1 | Low | 115 Ų | 115 | 122.2 Ų | 122.2 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.5 | 174.1 | -9.5 | 23.6 | 0 | 0 | 0 | 109.1 | F211 | P208-F211 HydrophobicContact CB-CE2 4.28Š|
| 209 | G | 65 | Low | 68.5 | Low | 51 Ų | 51 | 119.4 Ų | 119.4 | 53% | 0.526 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 169.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G207 F211 | G207-G209 PolarHBondContact O-N 2.92Å; G209-F211 PolarHBondContact O-N 3.4Å; G209-F211 VanDerWaalsContact O-N 3.11Å |
| 210 | P | 67.7 | Low | 67.4 | Low | 134 Ų | 134 | 123.3 Ų | 123.3 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.5 | -175.5 | 26.6 | -31.7 | 0 | 0 | 0 | 109.7 | D212 | P210-D212 PolarHBondContact O-N 3.15Š|
| 211 | F | 57.2 | Low | 66.1 | Low | 188 Ų | 188 | 126.2 Ų | 126.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 117.4 | 168.8 | -86.4 | -92.9 | 0 | 0 | 0 | 108.5 | P208 G209 | P208-F211 HydrophobicContact CB-CE2 4.28Å; G209-F211 PolarHBondContact O-N 3.4Å; G209-F211 VanDerWaalsContact O-N 3.11Å |
| 212 | D | 58.4 | Low | 64.4 | Low | 149 Ų | 149 | 127.1 Ų | 127.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.6 | 167.8 | -79.6 | -61.5 | 0 | 0 | 0 | 110.5 | P210 | P210-D212 PolarHBondContact O-N 3.15Š|
| 213 | P | 69.5 | Low | 62.7 | Low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 142.9 | 176.8 | 27.7 | -32.8 | 0 | 0 | 0 | 110.7 | ||
| 214 | P | 70 | Confident | 60.9 | Low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 148.7 | 176 | 29 | -33.1 | 0 | 0 | 0 | 110.9 | ||
| 215 | P | 69.7 | Low | 59.2 | Low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 152.3 | -179.9 | 29.4 | -33.8 | 0 | 0 | 0 | 111.7 | ||
| 216 | P | 67.8 | Low | 57.7 | Low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.1 | 177.1 | 29.5 | -32.9 | 0 | 0 | 0 | 110.8 | L218 | P216-L218 PolarHBondContact O-N 3.39Š|
| 217 | P | 71.9 | Confident | 55.8 | Low | 134 Ų | 134 | 132.9 Ų | 132.9 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.2 | 176.9 | 26.5 | -30 | 0 | 0 | 0 | 110.9 | ||
| 218 | L | 55.6 | Low | 54.4 | Low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 138.7 | 175.1 | -99.1 | 91.5 | 0 | 0 | 0 | 111.9 | P216 | P216-L218 PolarHBondContact O-N 3.39Š|
| 219 | S | 44.7 | Very low | 53.1 | Low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 128.9 | 167.3 | -47.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 220 | Q | 50 | Low | 51.5 | Low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -128.7 | 113.3 | 155.4 | -77.3 | -168.8 | -2.2 | 0 | 0 | 111 | ||||
| 221 | E | 48.9 | Very low | 49.8 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 24.4 | 107.8 | 147 | -74.1 | 173.4 | 87 | 0 | 0 | 120.5 | ||||
| 222 | T | 40.2 | Very low | 48.4 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | 4.1 | 119.4 | 126.1 | 16.6 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 223 | T | 42.9 | Very low | 47.1 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -141.2 | 141.6 | 135.4 | -67.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 224 | S | 41.8 | Very low | 45.4 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -69 | 135.1 | -159.8 | 40.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 225 | V | 41.9 | Very low | 43.7 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | 38.6 | 149.5 | 129.8 | -129.5 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 226 | P | 42.1 | Very low | 42 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | cis | -147.8 | 143.7 | 30.5 | 39.1 | -15.3 | 0 | 0 | 0 | 122.6 | ||||
| 227 | R | 32.7 | Very low | 40.3 | Very low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | 40.9 | 100.7 | 127 | -154.6 | 175.2 | -164.9 | 170.5 | 3.3 | 117 | |||||
| 228 | S | 39.8 | Very low | 38.6 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -135.5 | 138.8 | 153.1 | -71.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 229 | T | 37 | Very low | 37.7 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -52.7 | 143 | -163.4 | -36.2 | 0 | 0 | 0 | 0 | 115.6 | L231 | T229-L231 PolarHBondContact O-N 3.16Š| ||
| 230 | P | 32.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -77.6 | 113.6 | 169.9 | 30.8 | -28.1 | 0 | 0 | 0 | 109 | T232 | P230-T232 PolarHBondContact O-N 3Š| ||
| 231 | L | 32.3 | Very low | 36.8 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -76 | 110.4 | 168.4 | -78.9 | 169.4 | 0 | 0 | 0 | 108.9 | T229 F233 | T229-L231 PolarHBondContact O-N 3.16Å; L231-F233 PolarHBondContact O-N 3.5Å | ||
| 232 | T | 28.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -65.3 | 110.4 | 167.7 | -45.9 | 0 | 0 | 0 | 0 | 108.6 | P230 T234 | P230-T232 PolarHBondContact O-N 3Å; T232-T234 PolarHBondContact O-N 2.55Å | ||
| 233 | F | 30.5 | Very low | 36 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -82.4 | 107.7 | 166.3 | -83.3 | -86.8 | 0 | 0 | 0 | 108.9 | L231 H235 | L231-F233 PolarHBondContact O-N 3.5Å; F233-H235 PolarHBondContact O-N 3.42Å | ||
| 234 | T | 32.8 | Very low | 35.8 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -63.2 | 114.8 | 173.4 | -26.8 | 0 | 0 | 0 | 0 | 109 | T232 S236 | T232-T234 PolarHBondContact O-N 2.55Å; T234-S236 PolarHBondContact O-N 3.26Å; T234-S236 VanDerWaalsContact O-N 3.09Å | ||
| 235 | H | 34.3 | Very low | 35.6 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 89% | 0.889 | 76% | 0.756 | S | S | * | * | trans | -56.9 | 107.2 | 167.4 | -116.5 | -94.5 | 0 | 0 | 0 | 109.3 | F233 | F233-H235 PolarHBondContact O-N 3.42Š| ||
| 236 | S | 33.8 | Very low | 35.3 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -150.5 | 95.8 | 163.7 | -90 | 0 | 0 | 0 | 0 | 106.6 | T234 | T234-S236 PolarHBondContact O-N 3.26Å; T234-S236 VanDerWaalsContact O-N 3.09Å | ||
| 237 | S | 33.3 | Very low | 35 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | 87.7 | 114.8 | 88.7 | -163.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 238 | E | 35.3 | Very low | 35.2 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | 72.9 | 72.7 | 179.9 | -75.5 | 174.3 | 78.9 | 0 | 0 | 117.4 | ||||
| 239 | E | 37.6 | Very low | 35.1 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -69.1 | 125.6 | 153.5 | -159.2 | 179.5 | 129.8 | 0 | 0 | 108.6 | Q241 | E239-Q241 PolarHBondContact O-N 3.33Š| ||
| 240 | P | 35.9 | Very low | 34.9 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 63% | 0.63 | 72% | 0.721 | S | S | * | * | trans | -70.1 | 100.8 | 178.5 | 27.4 | -31.6 | 0 | 0 | 0 | 108.9 | ||||
| 241 | Q | 39.6 | Very low | 35 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -54.7 | 131.9 | 168.7 | -79.8 | -154.6 | -19.2 | 0 | 0 | 109 | E239 D243 | E239-Q241 PolarHBondContact O-N 3.33Å; Q241-D243 PolarHBondContact O-N 2.96Å; Q241-D243 VanDerWaalsContact O-N 3.12Å | ||
| 242 | P | 36.3 | Very low | 35.2 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | trans | -56.3 | 124.1 | 172.8 | 21.8 | -30.2 | 0 | 0 | 0 | 108.4 | R244 | P242-R244 VanDerWaalsContact C-N 3.31Å; P242-R244 PolarHBondContact O-N 3.48Å | ||
| 243 | D | 35.2 | Very low | 35.4 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 54% | 0.535 | 71% | 0.714 | S | S | . | * | trans | -63 | 93.7 | 178.5 | -179.1 | 5.7 | 0 | 0 | 0 | 109.3 | Q241 S245 S246 | Q241-D243 PolarHBondContact O-N 2.96Å; Q241-D243 VanDerWaalsContact O-N 3.12Å; D243-S245 PolarHBondContact O-N 2.85Å; D243-S245 WeakPolarHBondContact OD1-CB 3.3Å; D243-S245 PolarHBondContact OD1-N 3.34Å; D243-S245 PolarHBondContact OD1-OG 3.31Å; D243-S245 PolarHBondContact OD2-OG 2.86Å; D243-S246 PolarHBondContact O-N 3.35Å | ||
| 244 | R | 38.7 | Very low | 35.6 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -16.2 | 175.7 | -80.6 | -179 | 160.4 | -175.9 | -8.1 | 112.6 | P242 S246 | P242-R244 VanDerWaalsContact C-N 3.31Å; P242-R244 PolarHBondContact O-N 3.48Å; R244-S246 VanDerWaalsContact C-N 3.35Å |
| 245 | S | 37.7 | Very low | 35.3 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 46% | 0.455 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | -21.4 | 178.1 | 81.1 | 0 | 0 | 0 | 0 | 113.9 | D243 F247 K248 | D243-S245 PolarHBondContact O-N 2.85Å; D243-S245 WeakPolarHBondContact OD1-CB 3.3Å; D243-S245 PolarHBondContact OD1-N 3.34Å; D243-S245 PolarHBondContact OD1-OG 3.31Å; D243-S245 PolarHBondContact OD2-OG 2.86Å; S245-F247 VanDerWaalsContact C-N 3.33Å; S245-F247 PolarHBondContact O-N 3.46Å; S245-K248 PolarHBondContact O-N 2.86Å |
| 246 | S | 36.2 | Very low | 35.3 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -23.6 | -179.2 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | D243 R244 | D243-S246 PolarHBondContact O-N 3.35Å; R244-S246 VanDerWaalsContact C-N 3.35Å |
| 247 | F | 36.2 | Very low | 35 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -9.9 | 177.4 | -81.1 | -87.8 | 0 | 0 | 0 | 113.9 | S245 K249 P250 F251 | S245-F247 VanDerWaalsContact C-N 3.33Å; S245-F247 PolarHBondContact O-N 3.46Å; F247-K249 PolarHBondContact O-N 2.65Å; F247-P250 WeakPolarHBondContact O-CD 3.25Å; F247-F251 WeakPolarHBondContact O-CD2 3.35Å; F247-F251 WeakPolarHBondContact O-CE2 3.17Å |
| 248 | K | 36.3 | Very low | 34.8 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -78.2 | -14.4 | -177.7 | -101.3 | -179.8 | 173.9 | -178.9 | 0 | 115.2 | S245 | S245-K248 PolarHBondContact O-N 2.86Š|
| 249 | K | 37 | Very low | 34.4 | Very low | 179 Ų | 179 | 129 Ų | 129 | 78% | 0.778 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -11 | -171.2 | -73.2 | -178.3 | 178.7 | 173.8 | 0 | 118.7 | F247 | F247-K249 PolarHBondContact O-N 2.65Š|
| 250 | P | 33.2 | Very low | 34 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -14.4 | 170.6 | -6.9 | 23.4 | 0 | 0 | 0 | 113.9 | F247 | F247-P250 WeakPolarHBondContact O-CD 3.25Š|
| 251 | F | 34.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 48% | 0.482 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -86.4 | -14.4 | -163.8 | -69.9 | -78.2 | 0 | 0 | 0 | 115.7 | F247 R253 | F247-F251 WeakPolarHBondContact O-CD2 3.35Å; F247-F251 WeakPolarHBondContact O-CE2 3.17Å; F251-R253 PolarHBondContact O-N 2.7Å; F251-R253 VanDerWaalsContact O-N 3.16Å |
| 252 | D | 36.1 | Very low | 33.1 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 85% | 0.85 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -70 | -8.8 | 177.3 | -76 | -33.7 | 0 | 0 | 0 | 113.7 | ||
| 253 | R | 32.8 | Very low | 32.8 | Very low | 216 Ų | 216 | 123.6 Ų | 123.6 | 82% | 0.815 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -95 | -10.9 | -173.7 | -148.6 | 177.3 | -166.3 | -176.7 | 3.1 | 115.2 | F251 | F251-R253 PolarHBondContact O-N 2.7Å; F251-R253 VanDerWaalsContact O-N 3.16Å |
| 254 | F | 35 | Very low | 32.8 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 61% | 0.614 | 59% | 0.585 | S | S | * | * | trans | -130.7 | 27.2 | -168.1 | -64.5 | -73.3 | 0 | 0 | 0 | 114.8 | R256 | F254-R256 PolarHBondContact O-N 3.44Š| ||
| 255 | G | 26.5 | Very low | 32.5 | Very low | 66 Ų | 66 | 116.9 Ų | 116.9 | 68% | 0.68 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 29 | -169.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 256 | R | 33.8 | Very low | 32.1 | Very low | 231 Ų | 231 | 115.7 Ų | 115.7 | 87% | 0.872 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154 | 28.7 | -173.6 | -64.6 | -165.2 | -167.5 | -151 | 3.5 | 120.1 | F254 | F254-R256 PolarHBondContact O-N 3.44Š|
| 257 | T | 27.2 | Very low | 32 | Very low | 86 Ų | 86 | 115 Ų | 115 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | trans | -146 | 130.8 | 176.3 | -22.3 | 0 | 0 | 0 | 0 | 116.2 | S83 | S83-T257 CarbonylContact C-O 3.54Å; S83-T257 WeakPolarHBondContact CA-O 3.38Å; S83-T257 CarbonylContact O-C 3.54Å; S83-T257 VanDerWaalsContact O-O 3.06Å | ||
| 258 | P | 30.6 | Very low | 32.1 | Very low | 5 Ų | 5 | 113 Ų | 113 | 3% | 0.032 | 55% | 0.551 | C | S | . | * | trans | -162.7 | 171.7 | 146.1 | 45.8 | -30.8 | 0 | 0 | 0 | 127 | S83 N84 L87 | S83-P258 VanDerWaalsContact C-CB 3.4Å; S83-P258 WeakPolarHBondContact O-CA 2.8Å; S83-P258 WeakPolarHBondContact O-CB 3.21Å; N84-P258 VanDerWaalsContact C-CG 3.43Å; N84-P258 HydrophobicContact CB-CB 4.24Å; N84-P258 WeakPolarHBondContact O-CB 3.21Å; N84-P258 WeakPolarHBondContact O-CG 3.5Å; L87-P258 VanDerWaalsContact CA-CG 3.46Å; L87-P258 HydrophobicContact CB-CB 4.48Å; L87-P258 HydrophobicContact CB-CG 3.32Å; L87-P258 VanDerWaalsContact CB-O 3.32Å; L87-P258 WeakPolarHBondContact CB-O 2.95Å; L87-P258 WeakPolarHBondContact CD1-O 3.48Å; L87-P258 WeakPolarHBondContact CD2-O 3.3Å; L87-P258 HydrophobicContact CG-CG 4.42Å; L87-P258 WeakPolarHBondContact CG-O 3.31Å | ||
| 259 | M | 27.2 | Very low | 32.1 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 50% | 0.498 | 55% | 0.553 | S | S | . | * | trans | -168.3 | 148 | 157.1 | -99.9 | 172 | -72.2 | 0 | 0 | 110 | N84 L87 | N84-M259 PolarHBondContact ND2-O 2.94Å; N84-M259 PolarHBondContact OD1-N 3.45Å; N84-M259 PolarHBondContact OD1-O 3.48Å; L87-M259 HydrophobicContact CD2-CE 4.09Å; L87-M259 HydrophobicContact CD2-CG 3.85Å; L87-M259 HydrophobicContact CD2-SD 4.26Å | ||
| 260 | F | 28.8 | Very low | 31.9 | Very low | 89 Ų | 89 | 110.4 Ų | 110.4 | 39% | 0.39 | 54% | 0.543 | S | S | . | . | -161.6 | 147.7 | 83 | -59.3 | -60.3 | 0 | 0 | 0 | 112.5 | M287 F290 Q294 | F260-M287 HydrophobicContact CD1-CE 4.33Å; F260-F290 AromaticContact CD1-CD1 3.62Å; F260-F290 HydrophobicContact CD1-CD1 3.62Å; F260-F290 AromaticContact CD1-CE1 3.18Å; F260-F290 HydrophobicContact CD1-CE1 3.18Å; F260-F290 AromaticContact CD1-CZ 3.89Å; F260-F290 HydrophobicContact CD1-CZ 3.89Å; F260-F290 AromaticContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CZ 4.26Å; F260-F290 AromaticContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD2 4.48Å; F260-F290 AromaticContact CE1-CE1 2.87Å; F260-F290 HydrophobicContact CE1-CE1 2.87Å; F260-F290 AromaticContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CG 4.37Å; F260-F290 AromaticContact CE1-CZ 3.06Å; F260-F290 HydrophobicContact CE1-CZ 3.06Å; F260-F290 AromaticContact CE2-CE1 3.34Å; F260-F290 HydrophobicContact CE2-CE1 3.34Å; F260-F290 AromaticContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CE2-CZ 3.47Å; F260-F290 VanDerWaalsContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CG-CD1 4.28Å; F260-F290 AromaticContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CZ 4.49Å; F260-F290 HydrophobicContact CZ-CD1 4.16Å; F260-F290 AromaticContact CZ-CE1 3.03Å; F260-F290 HydrophobicContact CZ-CE1 3.03Å; F260-F290 AromaticContact CZ-CE2 3.91Å; F260-F290 HydrophobicContact CZ-CE2 3.91Å; F260-F290 AromaticContact CZ-CZ 2.86Å; F260-F290 HydrophobicContact CZ-CZ 2.86Å; F260-Q294 HydrophobicContact CE2-CG 4.41Å | |||
| 261 | I | 27.3 | Very low | 31.9 | Very low | 77 Ų | 77 | 111.4 Ų | 111.4 | 40% | 0.395 | 54% | 0.54 | S | S | . | . | trans | -116.7 | 124.3 | -179.4 | -68.2 | 159.6 | 0 | 0 | 0 | 108.8 | F264 | I261-F264 HydrophobicContact CB-CD1 4.24Å; I261-F264 HydrophobicContact CB-CE1 3.55Å; I261-F264 HydrophobicContact CB-CE2 3.95Å; I261-F264 HydrophobicContact CB-CZ 3.4Å; I261-F264 VanDerWaalsContact CB-CZ 3.4Å; I261-F264 HydrophobicContact CD1-CD1 4.24Å; I261-F264 HydrophobicContact CD1-CE1 3.42Å; I261-F264 VanDerWaalsContact CD1-CE1 3.42Å; I261-F264 HydrophobicContact CD1-CZ 3.99Å; I261-F264 HydrophobicContact CG1-CE1 4.07Å; I261-F264 HydrophobicContact CG1-CZ 4.26Å; I261-F264 HydrophobicContact CG2-CD1 3.61Å; I261-F264 HydrophobicContact CG2-CD2 4.06Å; I261-F264 HydrophobicContact CG2-CE1 3.46Å; I261-F264 VanDerWaalsContact CG2-CE1 3.46Å; I261-F264 HydrophobicContact CG2-CE2 3.88Å; I261-F264 HydrophobicContact CG2-CG 3.94Å; I261-F264 HydrophobicContact CG2-CZ 3.62Å; I261-F264 WeakPolarHBondContact O-CE2 3.34Å | ||
| 262 | T | 27.9 | Very low | 32 | Very low | 87 Ų | 87 | 111.9 Ų | 111.9 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -89.7 | 121.4 | 169.5 | 48.5 | 0 | 0 | 0 | 0 | 110 | ||
| 263 | K | 31.3 | Very low | 32.2 | Very low | 196 Ų | 196 | 107.1 Ų | 107.1 | 85% | 0.852 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 61.3 | 102.7 | -179.2 | -77 | -173.7 | 175 | -178.5 | 0 | 115.7 | V265 | K263-V265 PolarHBondContact O-N 2.98Š|
| 264 | F | 34.8 | Very low | 32.9 | Very low | 56 Ų | 56 | 97.4 Ų | 97.4 | 25% | 0.246 | 51% | 0.507 | C | S | . | . | trans | -91.2 | 87.8 | 174.9 | -60.1 | -99.8 | 0 | 0 | 0 | 110.8 | I261 L279 F283 M287 | I261-F264 HydrophobicContact CB-CD1 4.24Å; I261-F264 HydrophobicContact CB-CE1 3.55Å; I261-F264 HydrophobicContact CB-CE2 3.95Å; I261-F264 HydrophobicContact CB-CZ 3.4Å; I261-F264 VanDerWaalsContact CB-CZ 3.4Å; I261-F264 HydrophobicContact CD1-CD1 4.24Å; I261-F264 HydrophobicContact CD1-CE1 3.42Å; I261-F264 VanDerWaalsContact CD1-CE1 3.42Å; I261-F264 HydrophobicContact CD1-CZ 3.99Å; I261-F264 HydrophobicContact CG1-CE1 4.07Å; I261-F264 HydrophobicContact CG1-CZ 4.26Å; I261-F264 HydrophobicContact CG2-CD1 3.61Å; I261-F264 HydrophobicContact CG2-CD2 4.06Å; I261-F264 HydrophobicContact CG2-CE1 3.46Å; I261-F264 VanDerWaalsContact CG2-CE1 3.46Å; I261-F264 HydrophobicContact CG2-CE2 3.88Å; I261-F264 HydrophobicContact CG2-CG 3.94Å; I261-F264 HydrophobicContact CG2-CZ 3.62Å; I261-F264 WeakPolarHBondContact O-CE2 3.34Å; F264-L279 HydrophobicContact CB-CD1 3.16Å; F264-L279 HydrophobicContact CB-CG 3.85Å; F264-L279 HydrophobicContact CD1-CD1 3.55Å; F264-L279 HydrophobicContact CD2-CD1 3.59Å; F264-L279 HydrophobicContact CE1-CD1 4.18Å; F264-L279 HydrophobicContact CE2-CD1 4.27Å; F264-L279 HydrophobicContact CG-CD1 3.17Å; F264-L279 HydrophobicContact CG-CG 4.35Å; F264-L279 HydrophobicContact CZ-CD1 4.49Å; F264-F283 AromaticContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CE1-CE1 4.44Å; F264-F283 HydrophobicContact CE1-CZ 4.47Å; F264-F283 AromaticContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CZ 4.09Å; F264-F283 HydrophobicContact CG-CE1 4.41Å; F264-F283 AromaticContact CZ-CE1 3.82Å; F264-F283 HydrophobicContact CZ-CE1 3.82Å; F264-F283 AromaticContact CZ-CZ 3.92Å; F264-F283 HydrophobicContact CZ-CZ 3.92Å; F264-M287 HydrophobicContact CE2-CE 4.17Å; F264-M287 HydrophobicContact CE2-CG 4.19Å; F264-M287 HydrophobicContact CZ-CE 4.41Å | ||
| 265 | V | 31.1 | Very low | 33.3 | Very low | 111 Ų | 111 | 96.8 Ų | 96.8 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | trans | -92.2 | 112.9 | 143.9 | -179 | 0 | 0 | 0 | 0 | 104.3 | K263 N267 | K263-V265 PolarHBondContact O-N 2.98Å; V265-N267 PolarHBondContact O-N 2.9Å | ||
| 266 | L | 31.4 | Very low | 33.9 | Very low | 39 Ų | 39 | 95.3 Ų | 95.3 | 20% | 0.204 | 50% | 0.495 | C | S | . | . | trans | -61.9 | 102.5 | 174.8 | -72.4 | 168.8 | 0 | 0 | 0 | 107.6 | E268 F271 S274 | L266-E268 PolarHBondContact O-N 3.48Å; L266-F271 HydrophobicContact CB-CB 4.35Å; L266-F271 HydrophobicContact CB-CD2 4.23Å; L266-F271 HydrophobicContact CB-CG 4.47Å; L266-F271 HydrophobicContact CD2-CD1 4.35Å; L266-F271 HydrophobicContact CD2-CD2 3.7Å; L266-F271 HydrophobicContact CD2-CE1 4.47Å; L266-F271 HydrophobicContact CD2-CE2 3.85Å; L266-F271 HydrophobicContact CD2-CG 3.97Å; L266-F271 HydrophobicContact CD2-CZ 4.23Å; L266-S274 WeakPolarHBondContact CB-OG 3.27Å; L266-S274 PolarHBondContact O-OG 3.45Å | ||
| 267 | N | 33.7 | Very low | 34.1 | Very low | 70 Ų | 70 | 91 Ų | 91 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | trans | -58.8 | 122.1 | 179.5 | -176.5 | -13.4 | 0 | 0 | 0 | 108.9 | V265 D269 Y270 F271 | V265-N267 PolarHBondContact O-N 2.9Å; N267-D269 PolarHBondContact O-N 3.37Å; N267-D269 VanDerWaalsContact OD1-CB 3.32Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.32Å; N267-D269 PolarHBondContact OD1-OD2 2.9Å; N267-Y270 HydrophobicContact CB-CD2 3.83Å; N267-Y270 WeakPolarHBondContact ND2-CD2 3.46Å; N267-Y270 WeakPolarHBondContact ND2-CE2 3.46Å; N267-Y270 PolarHBondContact O-N 3.18Å; N267-F271 PolarHBondContact O-N 3.25Å | ||
| 268 | E | 36.9 | Very low | 34.9 | Very low | 112 Ų | 112 | 95.2 Ų | 95.2 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.4 | 178.5 | -96.5 | -159.8 | 140.3 | 0 | 0 | 112.5 | L266 Y270 F271 | L266-E268 PolarHBondContact O-N 3.48Å; E268-Y270 PolarHBondContact O-N 3.38Å; E268-F271 CarbonylContact O-C 3.5Å |
| 269 | D | 37.9 | Very low | 35.6 | Very low | 141 Ų | 141 | 98 Ų | 98 | 75% | 0.754 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -23.1 | 178.2 | -63 | -35.3 | 0 | 0 | 0 | 112.4 | N267 | N267-D269 PolarHBondContact O-N 3.37Å; N267-D269 VanDerWaalsContact OD1-CB 3.32Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.32Å; N267-D269 PolarHBondContact OD1-OD2 2.9Å |
| 270 | Y | 32 | Very low | 36.4 | Very low | 148 Ų | 148 | 96.4 Ų | 96.4 | 58% | 0.58 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -23.9 | -179.4 | -64.3 | -90.1 | 0 | 0 | 0 | 112.5 | N267 E268 | N267-Y270 HydrophobicContact CB-CD2 3.83Å; N267-Y270 WeakPolarHBondContact ND2-CD2 3.46Å; N267-Y270 WeakPolarHBondContact ND2-CE2 3.46Å; N267-Y270 PolarHBondContact O-N 3.18Å; E268-Y270 PolarHBondContact O-N 3.38Å |
| 271 | F | 34 | Very low | 37.1 | Very low | 100 Ų | 100 | 100.2 Ų | 100.2 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -131 | 75 | 179.6 | -60.3 | -82.3 | 0 | 0 | 0 | 110.4 | L266 N267 E268 G273 S274 | L266-F271 HydrophobicContact CB-CB 4.35Å; L266-F271 HydrophobicContact CB-CD2 4.23Å; L266-F271 HydrophobicContact CB-CG 4.47Å; L266-F271 HydrophobicContact CD2-CD1 4.35Å; L266-F271 HydrophobicContact CD2-CD2 3.7Å; L266-F271 HydrophobicContact CD2-CE1 4.47Å; L266-F271 HydrophobicContact CD2-CE2 3.85Å; L266-F271 HydrophobicContact CD2-CG 3.97Å; L266-F271 HydrophobicContact CD2-CZ 4.23Å; N267-F271 PolarHBondContact O-N 3.25Å; E268-F271 CarbonylContact O-C 3.5Å; F271-G273 PolarHBondContact O-N 3.03Å; F271-G273 VanDerWaalsContact O-N 3.13Å; F271-S274 VanDerWaalsContact O-CB 3.28Å; F271-S274 WeakPolarHBondContact O-CB 3.4Å; F271-S274 PolarHBondContact O-N 3.31Å; F271-S274 PolarHBondContact O-OG 3.45Å; F271-S274 VanDerWaalsContact O-OG 3.06Å |
| 272 | P | 36 | Very low | 37.8 | Very low | 120 Ų | 120 | 101.1 Ų | 101.1 | 78% | 0.779 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 119.6 | -179.8 | 22.4 | -31.6 | 0 | 0 | 0 | 110.2 | ||
| 273 | G | 40.4 | Very low | 38.5 | Very low | 58 Ų | 58 | 100.5 Ų | 100.5 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.3 | 0.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | F271 N275 | F271-G273 PolarHBondContact O-N 3.03Å; F271-G273 VanDerWaalsContact O-N 3.13Å; G273-N275 VanDerWaalsContact C-N 3.26Å; G273-N275 PolarHBondContact O-N 2.84Å |
| 274 | S | 47.8 | Very low | 39.2 | Very low | 12 Ų | 12 | 92.5 Ų | 92.5 | 8% | 0.084 | 50% | 0.503 | C | S | . | . | trans | -70.4 | -18.7 | 173.4 | 69 | 0 | 0 | 0 | 0 | 113.3 | L266 F271 G276 Q277 | L266-S274 WeakPolarHBondContact CB-OG 3.27Å; L266-S274 PolarHBondContact O-OG 3.45Å; F271-S274 VanDerWaalsContact O-CB 3.28Å; F271-S274 WeakPolarHBondContact O-CB 3.4Å; F271-S274 PolarHBondContact O-N 3.31Å; F271-S274 PolarHBondContact O-OG 3.45Å; F271-S274 VanDerWaalsContact O-OG 3.06Å; S274-G276 PolarHBondContact O-N 3.33Å; S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 3.26Å | ||
| 275 | N | 42.7 | Very low | 39.8 | Very low | 128 Ų | 128 | 95.2 Ų | 95.2 | 68% | 0.684 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 31.4 | 178.9 | -69.7 | -27.9 | 0 | 0 | 0 | 114.6 | G273 Q277 | G273-N275 VanDerWaalsContact C-N 3.26Å; G273-N275 PolarHBondContact O-N 2.84Å; N275-Q277 PolarHBondContact O-N 2.93Å |
| 276 | G | 39.9 | Very low | 40.2 | Very low | 34 Ų | 34 | 93.8 Ų | 93.8 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 29.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S274 E278 | S274-G276 PolarHBondContact O-N 3.33Å; G276-E278 PolarHBondContact O-N 3.33Å |
| 277 | Q | 37.1 | Very low | 41 | Very low | 140 Ų | 140 | 93 Ų | 93 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | trans | -56.7 | 111 | 179.5 | -167 | 172.5 | 45.2 | 0 | 0 | 108.4 | S274 N275 L279 | S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 3.26Å; N275-Q277 PolarHBondContact O-N 2.93Å; Q277-L279 PolarHBondContact O-N 3.49Å | ||
| 278 | E | 44.5 | Very low | 41.8 | Very low | 176 Ų | 176 | 97.7 Ų | 97.7 | 82% | 0.822 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 125.5 | 172.4 | -70.8 | -174.7 | 154.4 | 0 | 0 | 107.6 | G276 S280 | G276-E278 PolarHBondContact O-N 3.33Å; E278-S280 PolarHBondContact O-N 2.72Å |
| 279 | L | 44.9 | Very low | 42.7 | Very low | 62 Ų | 62 | 96 Ų | 96 | 33% | 0.325 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 136.8 | 169.8 | -69.7 | 178.5 | 0 | 0 | 0 | 108.3 | F264 Q277 F283 | F264-L279 HydrophobicContact CB-CD1 3.16Å; F264-L279 HydrophobicContact CB-CG 3.85Å; F264-L279 HydrophobicContact CD1-CD1 3.55Å; F264-L279 HydrophobicContact CD2-CD1 3.59Å; F264-L279 HydrophobicContact CE1-CD1 4.18Å; F264-L279 HydrophobicContact CE2-CD1 4.27Å; F264-L279 HydrophobicContact CG-CD1 3.17Å; F264-L279 HydrophobicContact CG-CG 4.35Å; F264-L279 HydrophobicContact CZ-CD1 4.49Å; Q277-L279 PolarHBondContact O-N 3.49Å; L279-F283 HydrophobicContact CB-CB 4.14Å; L279-F283 HydrophobicContact CB-CD1 3.64Å; L279-F283 HydrophobicContact CB-CE1 4.39Å; L279-F283 HydrophobicContact CB-CG 4.07Å; L279-F283 HydrophobicContact CD1-CD1 3.32Å; L279-F283 HydrophobicContact CD1-CE1 3.17Å; L279-F283 HydrophobicContact CD1-CG 4.14Å; L279-F283 HydrophobicContact CD1-CZ 3.87Å; L279-F283 HydrophobicContact CG-CD1 4.02Å; L279-F283 HydrophobicContact CG-CE1 4.31Å |
| 280 | S | 44.3 | Very low | 43.2 | Very low | 68 Ų | 68 | 91.9 Ų | 91.9 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 149.2 | -173.8 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | E278 T282 F283 G284 | E278-S280 PolarHBondContact O-N 2.72Å; S280-T282 PolarHBondContact O-N 3.06Å; S280-T282 PolarHBondContact OG-OG1 3.2Å; S280-F283 WeakPolarHBondContact O-CA 3.4Å; S280-F283 WeakPolarHBondContact O-CB 3.3Å; S280-F283 PolarHBondContact O-N 2.82Å; S280-G284 PolarHBondContact O-N 3.04Å |
| 281 | E | 43.5 | Very low | 44 | Very low | 169 Ų | 169 | 88.6 Ų | 88.6 | 79% | 0.79 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -49.9 | -36.1 | 178.5 | -154.3 | 169.3 | -163.3 | 0 | 0 | 111.8 | F283 G284 E285 | E281-F283 PolarHBondContact O-N 3.26Å; E281-G284 PolarHBondContact O-N 2.87Å; E281-E285 WeakPolarHBondContact O-CG 3.34Å; E281-E285 PolarHBondContact O-N 2.93Å |
| 282 | T | 42.2 | Very low | 45.1 | Very low | 97 Ų | 97 | 88.2 Ų | 88.2 | 60% | 0.595 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -35.9 | 172.8 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | S280 C286 | S280-T282 PolarHBondContact O-N 3.06Å; S280-T282 PolarHBondContact OG-OG1 3.2Å; T282-C286 WeakPolarHBondContact O-CB 3.39Å; T282-C286 PolarHBondContact O-N 3.29Å; T282-C286 VanDerWaalsContact O-N 3.09Å |
| 283 | F | 42.7 | Very low | 45.9 | Very low | 74 Ų | 74 | 88 Ų | 88 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.5 | -40.3 | 174.4 | -175.9 | -84.6 | 0 | 0 | 0 | 110.7 | F264 L279 S280 E281 E285 C286 M287 | F264-F283 AromaticContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CE1-CE1 4.44Å; F264-F283 HydrophobicContact CE1-CZ 4.47Å; F264-F283 AromaticContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CZ 4.09Å; F264-F283 HydrophobicContact CG-CE1 4.41Å; F264-F283 AromaticContact CZ-CE1 3.82Å; F264-F283 HydrophobicContact CZ-CE1 3.82Å; F264-F283 AromaticContact CZ-CZ 3.92Å; F264-F283 HydrophobicContact CZ-CZ 3.92Å; L279-F283 HydrophobicContact CB-CB 4.14Å; L279-F283 HydrophobicContact CB-CD1 3.64Å; L279-F283 HydrophobicContact CB-CE1 4.39Å; L279-F283 HydrophobicContact CB-CG 4.07Å; L279-F283 HydrophobicContact CD1-CD1 3.32Å; L279-F283 HydrophobicContact CD1-CE1 3.17Å; L279-F283 HydrophobicContact CD1-CG 4.14Å; L279-F283 HydrophobicContact CD1-CZ 3.87Å; L279-F283 HydrophobicContact CG-CD1 4.02Å; L279-F283 HydrophobicContact CG-CE1 4.31Å; S280-F283 WeakPolarHBondContact O-CA 3.4Å; S280-F283 WeakPolarHBondContact O-CB 3.3Å; S280-F283 PolarHBondContact O-N 2.82Å; E281-F283 PolarHBondContact O-N 3.26Å; F283-E285 VanDerWaalsContact C-N 3.35Å; F283-E285 PolarHBondContact O-N 3.45Å; F283-C286 PolarHBondContact O-N 2.84Å; F283-M287 HydrophobicContact CD1-CG 3.9Å; F283-M287 HydrophobicContact CE1-CG 3.39Å; F283-M287 HydrophobicContact CE1-SD 4.2Å; F283-M287 HydrophobicContact CZ-CG 3.82Å; F283-M287 HydrophobicContact CZ-SD 4.05Å; F283-M287 WeakPolarHBondContact O-CG 3.13Å; F283-M287 PolarHBondContact O-N 2.87Å |
| 284 | G | 45.5 | Very low | 46.3 | Very low | 28 Ų | 28 | 88.5 Ų | 88.5 | 29% | 0.289 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S280 E281 R288 | S280-G284 PolarHBondContact O-N 3.04Å; E281-G284 PolarHBondContact O-N 2.87Å; G284-R288 WeakPolarHBondContact O-CG 3.16Å; G284-R288 PolarHBondContact O-N 3.43Å |
| 285 | E | 46.7 | Very low | 46.6 | Very low | 112 Ų | 112 | 93.2 Ų | 93.2 | 52% | 0.523 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.1 | -75.1 | 180 | 164.4 | 0 | 0 | 112.9 | E281 F283 R288 T289 | E281-E285 WeakPolarHBondContact O-CG 3.34Å; E281-E285 PolarHBondContact O-N 2.93Å; F283-E285 VanDerWaalsContact C-N 3.35Å; F283-E285 PolarHBondContact O-N 3.45Å; E285-R288 PolarHBondContact O-N 3.27Å; E285-T289 PolarHBondContact O-N 2.98Å; E285-T289 PolarHBondContact O-OG1 3.2Å |
| 286 | C | 41.3 | Very low | 47.4 | Very low | 81 Ų | 81 | 91 Ų | 91 | 55% | 0.547 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | T282 F283 T289 F290 | T282-C286 WeakPolarHBondContact O-CB 3.39Å; T282-C286 PolarHBondContact O-N 3.29Å; T282-C286 VanDerWaalsContact O-N 3.09Å; F283-C286 PolarHBondContact O-N 2.84Å; C286-T289 PolarHBondContact O-N 3.1Å; C286-F290 WeakPolarHBondContact O-CB 3.37Å; C286-F290 PolarHBondContact O-N 3.49Å |
| 287 | M | 47.4 | Very low | 48 | Very low | 24 Ų | 24 | 94 Ų | 94 | 12% | 0.118 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 177.8 | -72.4 | -59.8 | -58 | 0 | 0 | 112.5 | F260 F264 F283 F290 E291 | F260-M287 HydrophobicContact CD1-CE 4.33Å; F264-M287 HydrophobicContact CE2-CE 4.17Å; F264-M287 HydrophobicContact CE2-CG 4.19Å; F264-M287 HydrophobicContact CZ-CE 4.41Å; F283-M287 HydrophobicContact CD1-CG 3.9Å; F283-M287 HydrophobicContact CE1-CG 3.39Å; F283-M287 HydrophobicContact CE1-SD 4.2Å; F283-M287 HydrophobicContact CZ-CG 3.82Å; F283-M287 HydrophobicContact CZ-SD 4.05Å; F283-M287 WeakPolarHBondContact O-CG 3.13Å; F283-M287 PolarHBondContact O-N 2.87Å; M287-F290 WeakPolarHBondContact O-CB 3.15Å; M287-F290 PolarHBondContact O-N 3.49Å; M287-E291 WeakPolarHBondContact O-CB 3.37Å; M287-E291 WeakPolarHBondContact O-CG 3.32Å; M287-E291 PolarHBondContact O-N 3.38Å |
| 288 | R | 50.6 | Low | 48.7 | Very low | 168 Ų | 168 | 91.3 Ų | 91.3 | 63% | 0.634 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 174 | -75.4 | 179 | -168.3 | 164.6 | 6.2 | 112 | G284 E285 F290 E291 D292 | G284-R288 WeakPolarHBondContact O-CG 3.16Å; G284-R288 PolarHBondContact O-N 3.43Å; E285-R288 PolarHBondContact O-N 3.27Å; R288-F290 PolarHBondContact O-N 3.35Å; R288-E291 PolarHBondContact O-N 3.28Å; R288-D292 WeakPolarHBondContact O-CB 3.36Å; R288-D292 VanDerWaalsContact O-CG 3.29Å; R288-D292 PolarHBondContact O-N 2.82Å |
| 289 | T | 55.1 | Low | 49.2 | Very low | 77 Ų | 77 | 87.1 Ų | 87.1 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.6 | -40.6 | 176.8 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | E285 C286 Q293 | E285-T289 PolarHBondContact O-N 2.98Å; E285-T289 PolarHBondContact O-OG1 3.2Å; C286-T289 PolarHBondContact O-N 3.1Å; T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.39Å; T289-Q293 VanDerWaalsContact O-N 3.1Å |
| 290 | F | 47.6 | Very low | 50 | Low | 53 Ų | 53 | 90.2 Ų | 90.2 | 23% | 0.232 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 177.1 | -179.7 | -84.7 | 0 | 0 | 0 | 112.5 | F260 C286 M287 R288 D292 Q293 Q294 | F260-F290 AromaticContact CD1-CD1 3.62Å; F260-F290 HydrophobicContact CD1-CD1 3.62Å; F260-F290 AromaticContact CD1-CE1 3.18Å; F260-F290 HydrophobicContact CD1-CE1 3.18Å; F260-F290 AromaticContact CD1-CZ 3.89Å; F260-F290 HydrophobicContact CD1-CZ 3.89Å; F260-F290 AromaticContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CZ 4.26Å; F260-F290 AromaticContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD2 4.48Å; F260-F290 AromaticContact CE1-CE1 2.87Å; F260-F290 HydrophobicContact CE1-CE1 2.87Å; F260-F290 AromaticContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CG 4.37Å; F260-F290 AromaticContact CE1-CZ 3.06Å; F260-F290 HydrophobicContact CE1-CZ 3.06Å; F260-F290 AromaticContact CE2-CE1 3.34Å; F260-F290 HydrophobicContact CE2-CE1 3.34Å; F260-F290 AromaticContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CE2-CZ 3.47Å; F260-F290 VanDerWaalsContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CG-CD1 4.28Å; F260-F290 AromaticContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CZ 4.49Å; F260-F290 HydrophobicContact CZ-CD1 4.16Å; F260-F290 AromaticContact CZ-CE1 3.03Å; F260-F290 HydrophobicContact CZ-CE1 3.03Å; F260-F290 AromaticContact CZ-CE2 3.91Å; F260-F290 HydrophobicContact CZ-CE2 3.91Å; F260-F290 AromaticContact CZ-CZ 2.86Å; F260-F290 HydrophobicContact CZ-CZ 2.86Å; C286-F290 WeakPolarHBondContact O-CB 3.37Å; C286-F290 PolarHBondContact O-N 3.49Å; M287-F290 WeakPolarHBondContact O-CB 3.15Å; M287-F290 PolarHBondContact O-N 3.49Å; R288-F290 PolarHBondContact O-N 3.35Å; F290-D292 VanDerWaalsContact C-N 3.32Å; F290-D292 PolarHBondContact O-N 2.95Å; F290-Q293 PolarHBondContact O-N 3Å; F290-Q294 HydrophobicContact CD1-CG 4.1Å; F290-Q294 HydrophobicContact CE1-CB 4.43Å; F290-Q294 HydrophobicContact CE1-CG 3.22Å; F290-Q294 HydrophobicContact CE2-CG 4.23Å; F290-Q294 HydrophobicContact CZ-CG 3.29Å; F290-Q294 VanDerWaalsContact CZ-NE2 3.25Å; F290-Q294 WeakPolarHBondContact O-CG 3.29Å; F290-Q294 PolarHBondContact O-N 3.41Å |
| 291 | E | 49.2 | Very low | 50.2 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 37% | 0.369 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 176 | -77.1 | 178.5 | 177 | 0 | 0 | 111.5 | M287 R288 Q294 R295 | M287-E291 WeakPolarHBondContact O-CB 3.37Å; M287-E291 WeakPolarHBondContact O-CG 3.32Å; M287-E291 PolarHBondContact O-N 3.38Å; R288-E291 PolarHBondContact O-N 3.28Å; E291-Q294 PolarHBondContact O-N 3.47Å; E291-R295 VanDerWaalsContact O-CB 3.29Å; E291-R295 WeakPolarHBondContact O-CB 3.4Å; E291-R295 PolarHBondContact O-N 3.28Å |
| 292 | D | 58.2 | Low | 50.4 | Low | 92 Ų | 92 | 82.6 Ų | 82.6 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176.8 | -72.3 | -25.8 | 0 | 0 | 0 | 111.1 | R288 F290 Q294 R295 D296 | R288-D292 WeakPolarHBondContact O-CB 3.36Å; R288-D292 VanDerWaalsContact O-CG 3.29Å; R288-D292 PolarHBondContact O-N 2.82Å; F290-D292 VanDerWaalsContact C-N 3.32Å; F290-D292 PolarHBondContact O-N 2.95Å; D292-Q294 PolarHBondContact O-N 3.5Å; D292-R295 PolarHBondContact O-N 3.07Å; D292-D296 WeakPolarHBondContact O-CB 3.41Å; D292-D296 PolarHBondContact O-N 3.25Å |
| 293 | Q | 52.1 | Low | 51.2 | Low | 117 Ų | 117 | 82.2 Ų | 82.2 | 55% | 0.547 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -43 | 175.6 | -75.8 | 176.6 | 7.4 | 0 | 0 | 112.7 | T289 F290 D296 L297 | T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.39Å; T289-Q293 VanDerWaalsContact O-N 3.1Å; F290-Q293 PolarHBondContact O-N 3Å; Q293-D296 PolarHBondContact O-N 3.09Å; Q293-L297 WeakPolarHBondContact O-CB 3.37Å; Q293-L297 PolarHBondContact O-N 2.97Å |
| 294 | Q | 48.4 | Very low | 51.8 | Low | 68 Ų | 68 | 86.3 Ų | 86.3 | 32% | 0.318 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 177 | -71.3 | -59 | -43.8 | 0 | 0 | 111.9 | F260 F290 E291 D292 D296 L297 F298 | F260-Q294 HydrophobicContact CE2-CG 4.41Å; F290-Q294 HydrophobicContact CD1-CG 4.1Å; F290-Q294 HydrophobicContact CE1-CB 4.43Å; F290-Q294 HydrophobicContact CE1-CG 3.22Å; F290-Q294 HydrophobicContact CE2-CG 4.23Å; F290-Q294 HydrophobicContact CZ-CG 3.29Å; F290-Q294 VanDerWaalsContact CZ-NE2 3.25Å; F290-Q294 WeakPolarHBondContact O-CG 3.29Å; F290-Q294 PolarHBondContact O-N 3.41Å; E291-Q294 PolarHBondContact O-N 3.47Å; D292-Q294 PolarHBondContact O-N 3.5Å; Q294-D296 VanDerWaalsContact C-N 3.33Å; Q294-L297 PolarHBondContact O-N 2.84Å; Q294-F298 VanDerWaalsContact O-CB 3.3Å; Q294-F298 WeakPolarHBondContact O-CB 3.47Å; Q294-F298 PolarHBondContact O-N 3.46Å |
| 295 | R | 54.1 | Low | 52 | Low | 111 Ų | 111 | 89.8 Ų | 89.8 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.3 | -168.7 | 178 | -169.3 | -179.1 | 2.6 | 111.3 | E291 D292 F298 R299 E311 | E291-R295 VanDerWaalsContact O-CB 3.29Å; E291-R295 WeakPolarHBondContact O-CB 3.4Å; E291-R295 PolarHBondContact O-N 3.28Å; D292-R295 PolarHBondContact O-N 3.07Å; R295-F298 PolarHBondContact O-N 2.91Å; R295-R299 WeakPolarHBondContact O-CB 3.43Å; R295-R299 VanDerWaalsContact O-CG 3.27Å; R295-R299 WeakPolarHBondContact O-CG 3.34Å; R295-R299 PolarHBondContact O-N 3.27Å; R295-E311 IonicContact CZ-OE1 3.6Å; R295-E311 IonicContact NE-OE1 3.6Å; R295-E311 IonicContact NH2-OE1 2.84Å; R295-E311 PolarHBondContact NH2-OE1 3.21Å |
| 296 | D | 60.2 | Low | 51.9 | Low | 81 Ų | 81 | 88.4 Ų | 88.4 | 43% | 0.433 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.6 | -79.3 | -14.5 | 0 | 0 | 0 | 111.9 | D292 Q293 Q294 R299 Q300 | D292-D296 WeakPolarHBondContact O-CB 3.41Å; D292-D296 PolarHBondContact O-N 3.25Å; Q293-D296 PolarHBondContact O-N 3.09Å; Q294-D296 VanDerWaalsContact C-N 3.33Å; D296-R299 PolarHBondContact O-N 2.98Å; D296-Q300 WeakPolarHBondContact O-CB 3.37Å; D296-Q300 VanDerWaalsContact O-CG 3.27Å; D296-Q300 WeakPolarHBondContact O-CG 3.41Å; D296-Q300 PolarHBondContact O-N 3.35Å |
| 297 | L | 52.8 | Low | 52.4 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.8 | -166.5 | 114.6 | 0 | 0 | 0 | 111.2 | Q293 Q294 R299 Q300 C301 | Q293-L297 WeakPolarHBondContact O-CB 3.37Å; Q293-L297 PolarHBondContact O-N 2.97Å; Q294-L297 PolarHBondContact O-N 2.84Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.48Å; L297-Q300 PolarHBondContact O-N 3.3Å; L297-C301 PolarHBondContact O-N 3.06Å; L297-C301 PolarHBondContact O-SG 2.84Å |
| 298 | F | 50.6 | Low | 53 | Low | 85 Ų | 85 | 92.5 Ų | 92.5 | 37% | 0.373 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 176.4 | -172.7 | -106.2 | 0 | 0 | 0 | 111.6 | Q294 R295 C301 L302 I316 | Q294-F298 VanDerWaalsContact O-CB 3.3Å; Q294-F298 WeakPolarHBondContact O-CB 3.47Å; Q294-F298 PolarHBondContact O-N 3.46Å; R295-F298 PolarHBondContact O-N 2.91Å; F298-C301 PolarHBondContact O-N 2.95Å; F298-L302 HydrophobicContact CD1-CD1 3.56Å; F298-L302 HydrophobicContact CD1-CG 4.09Å; F298-L302 HydrophobicContact CE1-CD1 3.31Å; F298-L302 HydrophobicContact CE1-CD2 4.19Å; F298-L302 HydrophobicContact CE1-CG 3.87Å; F298-L302 HydrophobicContact CG-CD1 4.49Å; F298-L302 HydrophobicContact CZ-CD1 4.07Å; F298-L302 HydrophobicContact CZ-CD2 4.11Å; F298-L302 HydrophobicContact CZ-CG 4.19Å; F298-L302 WeakPolarHBondContact O-CB 3.37Å; F298-L302 VanDerWaalsContact O-CG 3.27Å; F298-L302 WeakPolarHBondContact O-CG 3.32Å; F298-L302 PolarHBondContact O-N 2.87Å; F298-I316 HydrophobicContact CD1-CD1 4.19Å; F298-I316 HydrophobicContact CE1-CD1 3.56Å |
| 299 | R | 56.7 | Low | 53 | Low | 87 Ų | 87 | 87.8 Ų | 87.8 | 33% | 0.328 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 173.9 | -79.9 | 173.7 | 173.2 | 175.7 | -2.3 | 112.3 | R295 D296 L297 C301 L302 V303 E311 | R295-R299 WeakPolarHBondContact O-CB 3.43Å; R295-R299 VanDerWaalsContact O-CG 3.27Å; R295-R299 WeakPolarHBondContact O-CG 3.34Å; R295-R299 PolarHBondContact O-N 3.27Å; D296-R299 PolarHBondContact O-N 2.98Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.48Å; R299-C301 VanDerWaalsContact C-N 3.35Å; R299-L302 PolarHBondContact O-N 2.88Å; R299-V303 WeakPolarHBondContact O-CB 3.4Å; R299-V303 VanDerWaalsContact O-CG2 3.29Å; R299-V303 WeakPolarHBondContact O-CG2 3.41Å; R299-V303 PolarHBondContact O-N 2.74Å; R299-E311 IonicContact CZ-OE1 3.72Å; R299-E311 IonicContact CZ-OE2 2.96Å; R299-E311 IonicContact NE-OE1 3.52Å; R299-E311 IonicContact NE-OE2 2.7Å; R299-E311 PolarHBondContact NE-OE2 2.98Å; R299-E311 IonicContact NH2-OE1 3.04Å; R299-E311 PolarHBondContact NH2-OE1 2.76Å; R299-E311 IonicContact NH2-OE2 2.65Å; R299-E311 PolarHBondContact NH2-OE2 3.11Å |
| 300 | Q | 60 | Low | 53.3 | Low | 127 Ų | 127 | 90 Ų | 90 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60 | -47.3 | 176 | -75.1 | 171.8 | 22.6 | 0 | 0 | 110.7 | D296 L297 L302 V303 E304 | D296-Q300 WeakPolarHBondContact O-CB 3.37Å; D296-Q300 VanDerWaalsContact O-CG 3.27Å; D296-Q300 WeakPolarHBondContact O-CG 3.41Å; D296-Q300 PolarHBondContact O-N 3.35Å; L297-Q300 PolarHBondContact O-N 3.3Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 2.94Å; Q300-V303 PolarHBondContact O-N 3.18Å; Q300-E304 WeakPolarHBondContact O-CB 3.28Å; Q300-E304 PolarHBondContact O-N 3.4Å |
| 301 | C | 48.8 | Very low | 53.7 | Low | 50 Ų | 50 | 89.9 Ų | 89.9 | 34% | 0.338 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 174.7 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | L297 F298 R299 V303 E304 E305 | L297-C301 PolarHBondContact O-N 3.06Å; L297-C301 PolarHBondContact O-SG 2.84Å; F298-C301 PolarHBondContact O-N 2.95Å; R299-C301 VanDerWaalsContact C-N 3.35Å; C301-V303 PolarHBondContact O-N 3.13Å; C301-E304 PolarHBondContact O-N 3.04Å; C301-E305 VanDerWaalsContact O-CB 3.23Å; C301-E305 WeakPolarHBondContact O-CB 3.46Å; C301-E305 VanDerWaalsContact O-CG 3.27Å; C301-E305 WeakPolarHBondContact O-CG 3.09Å; C301-E305 PolarHBondContact O-N 2.77Å |
| 302 | L | 49.2 | Very low | 53.8 | Low | 27 Ų | 27 | 89.2 Ų | 89.2 | 14% | 0.141 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.6 | -73.3 | 174.3 | 0 | 0 | 0 | 112.4 | F298 R299 Q300 M306 F309 I316 | F298-L302 HydrophobicContact CD1-CD1 3.56Å; F298-L302 HydrophobicContact CD1-CG 4.09Å; F298-L302 HydrophobicContact CE1-CD1 3.31Å; F298-L302 HydrophobicContact CE1-CD2 4.19Å; F298-L302 HydrophobicContact CE1-CG 3.87Å; F298-L302 HydrophobicContact CG-CD1 4.49Å; F298-L302 HydrophobicContact CZ-CD1 4.07Å; F298-L302 HydrophobicContact CZ-CD2 4.11Å; F298-L302 HydrophobicContact CZ-CG 4.19Å; F298-L302 WeakPolarHBondContact O-CB 3.37Å; F298-L302 VanDerWaalsContact O-CG 3.27Å; F298-L302 WeakPolarHBondContact O-CG 3.32Å; F298-L302 PolarHBondContact O-N 2.87Å; R299-L302 PolarHBondContact O-N 2.88Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 2.94Å; L302-M306 HydrophobicContact CB-CE 4.28Å; L302-M306 HydrophobicContact CD2-CE 3.34Å; L302-M306 HydrophobicContact CG-CE 4.37Å; L302-M306 WeakPolarHBondContact O-CA 3.43Å; L302-M306 VanDerWaalsContact O-CB 3.27Å; L302-M306 WeakPolarHBondContact O-CB 3.37Å; L302-M306 PolarHBondContact O-N 3.3Å; L302-F309 HydrophobicContact CB-CD1 4.19Å; L302-F309 HydrophobicContact CB-CE1 4.46Å; L302-F309 HydrophobicContact CD1-CD1 4.27Å; L302-F309 HydrophobicContact CD1-CE1 3.72Å; L302-F309 HydrophobicContact CD1-CZ 4Å; L302-I316 HydrophobicContact CD1-CD1 4.05Å |
| 303 | V | 58.2 | Low | 53.7 | Low | 90 Ų | 90 | 95.2 Ų | 95.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.3 | -37 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | R299 Q300 C301 M306 | R299-V303 WeakPolarHBondContact O-CB 3.4Å; R299-V303 VanDerWaalsContact O-CG2 3.29Å; R299-V303 WeakPolarHBondContact O-CG2 3.41Å; R299-V303 PolarHBondContact O-N 2.74Å; Q300-V303 PolarHBondContact O-N 3.18Å; C301-V303 PolarHBondContact O-N 3.13Å; V303-M306 CarbonylContact O-C 3.51Å |
| 304 | E | 55.8 | Low | 53.5 | Low | 160 Ų | 160 | 97.5 Ų | 97.5 | 75% | 0.748 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.9 | -44.1 | 177.2 | -171.7 | 172.6 | -174.9 | 0 | 0 | 111.8 | Q300 C301 | Q300-E304 WeakPolarHBondContact O-CB 3.28Å; Q300-E304 PolarHBondContact O-N 3.4Å; C301-E304 PolarHBondContact O-N 3.04Å |
| 305 | E | 48.6 | Very low | 53.3 | Low | 100 Ų | 100 | 94.8 Ų | 94.8 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -78.8 | -29.3 | 180 | -69.1 | -72.6 | 153.6 | 0 | 0 | 112.8 | C301 | C301-E305 VanDerWaalsContact O-CB 3.23Å; C301-E305 WeakPolarHBondContact O-CB 3.46Å; C301-E305 VanDerWaalsContact O-CG 3.27Å; C301-E305 WeakPolarHBondContact O-CG 3.09Å; C301-E305 PolarHBondContact O-N 2.77Å |
| 306 | M | 45.2 | Very low | 52.8 | Low | 84 Ų | 84 | 92.9 Ų | 92.9 | 41% | 0.414 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -129.6 | 78.4 | -179 | -60.4 | -175.1 | -67.1 | 0 | 0 | 111.4 | L302 V303 G308 F309 | L302-M306 HydrophobicContact CB-CE 4.28Å; L302-M306 HydrophobicContact CD2-CE 3.34Å; L302-M306 HydrophobicContact CG-CE 4.37Å; L302-M306 WeakPolarHBondContact O-CA 3.43Å; L302-M306 VanDerWaalsContact O-CB 3.27Å; L302-M306 WeakPolarHBondContact O-CB 3.37Å; L302-M306 PolarHBondContact O-N 3.3Å; V303-M306 CarbonylContact O-C 3.51Å; M306-G308 PolarHBondContact O-N 3.45Å; M306-F309 HydrophobicContact CB-CB 3.95Å; M306-F309 HydrophobicContact CE-CB 4.25Å; M306-F309 HydrophobicContact CE-CD2 3.58Å; M306-F309 HydrophobicContact CE-CE2 4.12Å; M306-F309 HydrophobicContact CE-CG 3.99Å; M306-F309 WeakPolarHBondContact O-CB 3.32Å; M306-F309 PolarHBondContact O-N 3.2Å |
| 307 | P | 51.6 | Low | 51.7 | Low | 117 Ų | 117 | 94.5 Ų | 94.5 | 76% | 0.76 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 110.2 | 174.4 | 22.2 | -30.7 | 0 | 0 | 0 | 110 | ||
| 308 | G | 60.3 | Low | 50.9 | Low | 73 Ų | 73 | 95.4 Ų | 95.4 | 75% | 0.753 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.1 | -2.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M306 V310 | M306-G308 PolarHBondContact O-N 3.45Å; G308-V310 PolarHBondContact O-N 3.43Å |
| 309 | F | 51.3 | Low | 50 | Low | 69 Ų | 69 | 99.3 Ų | 99.3 | 30% | 0.303 | 54% | 0.54 | S | S | . | . | trans | -59.9 | 121.5 | 171.6 | 180 | -98 | 0 | 0 | 0 | 111 | L302 M306 E311 | L302-F309 HydrophobicContact CB-CD1 4.19Å; L302-F309 HydrophobicContact CB-CE1 4.46Å; L302-F309 HydrophobicContact CD1-CD1 4.27Å; L302-F309 HydrophobicContact CD1-CE1 3.72Å; L302-F309 HydrophobicContact CD1-CZ 4Å; M306-F309 HydrophobicContact CB-CB 3.95Å; M306-F309 HydrophobicContact CE-CB 4.25Å; M306-F309 HydrophobicContact CE-CD2 3.58Å; M306-F309 HydrophobicContact CE-CE2 4.12Å; M306-F309 HydrophobicContact CE-CG 3.99Å; M306-F309 WeakPolarHBondContact O-CB 3.32Å; M306-F309 PolarHBondContact O-N 3.2Å; F309-E311 HydrophobicContact CE1-CB 4.02Å; F309-E311 HydrophobicContact CE1-CG 4.47Å | ||
| 310 | V | 60.8 | Low | 48.6 | Very low | 125 Ų | 125 | 100.6 Ų | 100.6 | 76% | 0.758 | 56% | 0.561 | S | S | * | * | trans | -106.6 | 116.2 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 107 | G308 | G308-V310 PolarHBondContact O-N 3.43Š| ||
| 311 | E | 55.2 | Low | 47.3 | Very low | 49 Ų | 49 | 101 Ų | 101 | 23% | 0.229 | 57% | 0.568 | C | S | . | * | trans | -59.5 | 133.3 | 177.7 | -168.4 | -180 | 175.9 | 0 | 0 | 110.1 | R295 R299 F309 K313 | R295-E311 IonicContact CZ-OE1 3.6Å; R295-E311 IonicContact NE-OE1 3.6Å; R295-E311 IonicContact NH2-OE1 2.84Å; R295-E311 PolarHBondContact NH2-OE1 3.21Å; R299-E311 IonicContact CZ-OE1 3.72Å; R299-E311 IonicContact CZ-OE2 2.96Å; R299-E311 IonicContact NE-OE1 3.52Å; R299-E311 IonicContact NE-OE2 2.7Å; R299-E311 PolarHBondContact NE-OE2 2.98Å; R299-E311 IonicContact NH2-OE1 3.04Å; R299-E311 PolarHBondContact NH2-OE1 2.76Å; R299-E311 IonicContact NH2-OE2 2.65Å; R299-E311 PolarHBondContact NH2-OE2 3.11Å; F309-E311 HydrophobicContact CE1-CB 4.02Å; F309-E311 HydrophobicContact CE1-CG 4.47Å; E311-K313 PolarHBondContact O-N 2.93Å | ||
| 312 | P | 51.7 | Low | 46.6 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 43% | 0.429 | 58% | 0.581 | S | S | . | * | trans | -58.1 | 139.3 | 175.4 | 21.9 | -31.6 | 0 | 0 | 0 | 109.9 | N314 G315 | P312-N314 PolarHBondContact O-N 3.44Å; P312-G315 PolarHBondContact O-N 3.35Å | ||
| 313 | K | 55.7 | Low | 45.7 | Very low | 218 Ų | 218 | 110 Ų | 110 | 95% | 0.948 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -24.1 | -178.7 | -71 | -176.7 | 179 | 178.6 | 0 | 113.8 | E311 | E311-K313 PolarHBondContact O-N 2.93Š|
| 314 | N | 49.4 | Very low | 44.3 | Very low | 164 Ų | 164 | 109.7 Ų | 109.7 | 88% | 0.877 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 6.4 | -178.2 | -60 | -14.7 | 0 | 0 | 0 | 113.2 | P312 | P312-N314 PolarHBondContact O-N 3.44Š|
| 315 | G | 43.4 | Very low | 42.8 | Very low | 12 Ų | 12 | 104.8 Ų | 104.8 | 12% | 0.124 | 62% | 0.618 | C | S | . | * | trans | 69.6 | 178.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P312 | P312-G315 PolarHBondContact O-N 3.35Š| ||
| 316 | I | 43.3 | Very low | 41.8 | Very low | 70 Ų | 70 | 107.3 Ų | 107.3 | 36% | 0.359 | 64% | 0.64 | S | S | . | * | trans | -87.3 | 123 | 175.8 | -57.8 | 176.1 | 0 | 0 | 0 | 107 | F298 L302 T318 | F298-I316 HydrophobicContact CD1-CD1 4.19Å; F298-I316 HydrophobicContact CE1-CD1 3.56Å; L302-I316 HydrophobicContact CD1-CD1 4.05Å; I316-T318 PolarHBondContact O-N 3.21Å | ||
| 317 | P | 37.3 | Very low | 40.8 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | trans | -66.7 | 125.1 | -176.7 | 22.9 | -29.9 | 0 | 0 | 0 | 111.3 | ||||
| 318 | T | 36 | Very low | 39.6 | Very low | 116 Ų | 116 | 115.4 Ų | 115.4 | 71% | 0.712 | 66% | 0.658 | S | S | * | * | trans | -112.2 | 3.2 | -173.5 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | I316 | I316-T318 PolarHBondContact O-N 3.21Š| ||
| 319 | Q | 31.2 | Very low | 37.9 | Very low | 166 Ų | 166 | 119.1 Ų | 119.1 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | trans | -105.5 | 124.2 | -171.8 | -66.6 | -173.5 | 17.7 | 0 | 0 | 114.2 | ||||
| 320 | C | 27.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | -91.7 | 111.3 | 164.7 | -80.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 321 | N | 32.1 | Very low | 35.1 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -86.1 | 116.4 | 171.1 | -121.5 | -15.5 | 0 | 0 | 0 | 109.8 | H323 | N321-H323 VanDerWaalsContact C-N 3.28Å; N321-H323 PolarHBondContact O-N 3.47Å | ||
| 322 | V | 34.7 | Very low | 34.1 | Very low | 100 Ų | 100 | 135 Ų | 135 | 61% | 0.606 | 73% | 0.728 | S | S | * | * | trans | -82.3 | -5 | -175 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 323 | H | 31.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -100.3 | 123.2 | 170 | -74.1 | -65.5 | 0 | 0 | 0 | 110.4 | N321 G325 | N321-H323 VanDerWaalsContact C-N 3.28Å; N321-H323 PolarHBondContact O-N 3.47Å; H323-G325 PolarHBondContact O-N 3.13Å |
| 324 | G | 26.9 | Very low | 31.9 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | trans | -45.7 | 134.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 325 | G | 25.4 | Very low | 30.9 | Very low | 58 Ų | 58 | 132.4 Ų | 132.4 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | trans | 157.3 | 91.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | H323 H327 | H323-G325 PolarHBondContact O-N 3.13Å; G325-H327 PolarHBondContact O-N 3.12Å | ||
| 326 | V | 26.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 78 | 158.1 | -170.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 327 | H | 24.9 | Very low | 29.2 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -136.7 | 115.3 | 175.8 | -97.8 | -73.8 | 0 | 0 | 0 | 109.3 | G325 | G325-H327 PolarHBondContact O-N 3.12Š| ||
| 328 | R | 26.7 | Very low | 28.7 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 84.4 | 57.7 | 170.5 | -52.3 | -171.7 | -179.7 | -162.1 | 0.9 | 116.9 | ||||
| 329 | L | 24.1 | Very low | 28.1 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -92.7 | 133 | 131.2 | -83 | 140.2 | 0 | 0 | 0 | 105.2 | ||
| 330 | F | 25.4 | Very low | 27.8 | Very low | 208 Ų | 208 | 147.7 Ų | 147.7 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | trans | 83.2 | 82 | -166 | -46.6 | -71.5 | 0 | 0 | 0 | 115.5 | ||||
| 331 | Q | 28.1 | Very low | 27.9 | Very low | 233 Ų | 233 | 150.7 Ų | 150.7 | 100% | 1.089 | 80% | 0.802 | S | S | * | * | trans | -141.7 | 0 | 138.8 | -134.6 | 177.2 | 26 | 0 | 0 | 109.6 |
Retrieved 331 of 331 residues in 361.4 ms
(Link to these results)